USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 290 SER OG : rot 108:sc= 0.939 USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot -130:sc= 0.00679 USER MOD Single : A 301 HIS : no HE2:sc= -10.1! C(o=-10!,f=-6.3!) USER MOD Single : A 302 ASN : amide:sc= -0.448 K(o=-0.45,f=-8.2!) USER MOD Single : A 303 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 305 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 306 THR OG1 : rot 39:sc=-0.000299 USER MOD Single : A 307 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0048) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc=0.000536 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -14.007 1.553 -1.629 1.00 15.00 N ATOM 2 CA LEU A 279 -15.214 1.701 -0.788 1.00 15.00 C ATOM 3 C LEU A 279 -15.430 3.165 -0.426 1.00 15.00 C ATOM 4 O LEU A 279 -16.464 3.743 -0.764 1.00 15.00 O ATOM 5 CB LEU A 279 -15.085 0.833 0.476 1.00 15.00 C ATOM 6 CG LEU A 279 -16.371 0.638 1.293 1.00 15.00 C ATOM 7 CD1 LEU A 279 -16.282 -0.637 2.115 1.00 15.00 C ATOM 8 CD2 LEU A 279 -16.626 1.823 2.212 1.00 15.00 C ATOM 0 HA LEU A 279 -16.084 1.361 -1.350 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -14.712 -0.148 0.182 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -14.331 1.280 1.124 1.00 15.00 H new ATOM 0 HG LEU A 279 -17.203 0.562 0.593 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -17.199 -0.764 2.690 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -16.149 -1.490 1.450 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -15.433 -0.572 2.796 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -17.543 1.655 2.777 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -15.790 1.934 2.903 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -16.728 2.730 1.616 1.00 15.00 H new ATOM 22 N GLY A 280 -14.465 3.774 0.257 1.00 15.00 N ATOM 23 CA GLY A 280 -14.620 5.164 0.636 1.00 15.00 C ATOM 24 C GLY A 280 -13.474 5.704 1.480 1.00 15.00 C ATOM 25 O GLY A 280 -12.680 6.509 0.994 1.00 15.00 O ATOM 0 H GLY A 280 -13.592 3.337 0.550 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -14.710 5.769 -0.266 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -15.552 5.278 1.190 1.00 15.00 H new ATOM 29 N PRO A 281 -13.348 5.272 2.746 1.00 15.00 N ATOM 30 CA PRO A 281 -12.414 5.872 3.697 1.00 15.00 C ATOM 31 C PRO A 281 -11.028 5.229 3.691 1.00 15.00 C ATOM 32 O PRO A 281 -10.879 4.027 3.456 1.00 15.00 O ATOM 33 CB PRO A 281 -13.117 5.617 5.029 1.00 15.00 C ATOM 34 CG PRO A 281 -13.831 4.318 4.843 1.00 15.00 C ATOM 35 CD PRO A 281 -14.114 4.176 3.365 1.00 15.00 C ATOM 0 HA PRO A 281 -12.213 6.919 3.469 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.401 5.561 5.849 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.814 6.420 5.268 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -13.221 3.488 5.200 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.758 4.302 5.416 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -13.794 3.204 2.989 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -15.179 4.265 3.153 1.00 15.00 H new ATOM 43 N LEU A 282 -10.021 6.045 3.976 1.00 15.00 N ATOM 44 CA LEU A 282 -8.644 5.586 4.057 1.00 15.00 C ATOM 45 C LEU A 282 -8.196 5.581 5.518 1.00 15.00 C ATOM 46 O LEU A 282 -8.177 6.630 6.166 1.00 15.00 O ATOM 47 CB LEU A 282 -7.734 6.504 3.233 1.00 15.00 C ATOM 48 CG LEU A 282 -6.306 6.000 3.024 1.00 15.00 C ATOM 49 CD1 LEU A 282 -6.301 4.793 2.099 1.00 15.00 C ATOM 50 CD2 LEU A 282 -5.428 7.108 2.467 1.00 15.00 C ATOM 0 H LEU A 282 -10.138 7.042 4.157 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.577 4.575 3.655 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -8.192 6.659 2.256 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.689 7.477 3.723 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.900 5.695 3.988 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -5.277 4.446 1.960 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.898 3.995 2.539 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.724 5.072 1.134 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -4.415 6.732 2.324 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.829 7.444 1.511 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.410 7.944 3.166 1.00 15.00 H new ATOM 62 N PRO A 283 -7.856 4.402 6.064 1.00 15.00 N ATOM 63 CA PRO A 283 -7.428 4.270 7.462 1.00 15.00 C ATOM 64 C PRO A 283 -6.145 5.045 7.754 1.00 15.00 C ATOM 65 O PRO A 283 -5.187 4.994 6.982 1.00 15.00 O ATOM 66 CB PRO A 283 -7.192 2.764 7.635 1.00 15.00 C ATOM 67 CG PRO A 283 -7.898 2.116 6.495 1.00 15.00 C ATOM 68 CD PRO A 283 -7.863 3.108 5.369 1.00 15.00 C ATOM 0 HA PRO A 283 -8.171 4.677 8.148 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.128 2.530 7.621 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.584 2.413 8.590 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.407 1.185 6.210 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.925 1.866 6.763 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.977 2.980 4.747 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.729 3.006 4.715 1.00 15.00 H new ATOM 76 N PRO A 284 -6.112 5.767 8.883 1.00 15.00 N ATOM 77 CA PRO A 284 -4.934 6.530 9.304 1.00 15.00 C ATOM 78 C PRO A 284 -3.735 5.626 9.580 1.00 15.00 C ATOM 79 O PRO A 284 -3.818 4.687 10.374 1.00 15.00 O ATOM 80 CB PRO A 284 -5.389 7.223 10.591 1.00 15.00 C ATOM 81 CG PRO A 284 -6.554 6.432 11.071 1.00 15.00 C ATOM 82 CD PRO A 284 -7.224 5.893 9.841 1.00 15.00 C ATOM 0 HA PRO A 284 -4.602 7.224 8.532 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.591 7.238 11.333 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -5.668 8.260 10.402 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.232 5.623 11.726 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -7.238 7.055 11.646 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.703 4.933 10.031 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.997 6.568 9.475 1.00 15.00 H new ATOM 90 N GLY A 285 -2.624 5.911 8.917 1.00 15.00 N ATOM 91 CA GLY A 285 -1.442 5.089 9.065 1.00 15.00 C ATOM 92 C GLY A 285 -1.103 4.367 7.781 1.00 15.00 C ATOM 93 O GLY A 285 -0.073 3.694 7.684 1.00 15.00 O ATOM 0 H GLY A 285 -2.520 6.699 8.278 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.600 5.712 9.366 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.601 4.362 9.861 1.00 15.00 H new ATOM 97 N TRP A 286 -1.952 4.545 6.780 1.00 15.00 N ATOM 98 CA TRP A 286 -1.779 3.887 5.498 1.00 15.00 C ATOM 99 C TRP A 286 -0.940 4.737 4.574 1.00 15.00 C ATOM 100 O TRP A 286 -1.359 5.814 4.147 1.00 15.00 O ATOM 101 CB TRP A 286 -3.143 3.618 4.835 1.00 15.00 C ATOM 102 CG TRP A 286 -3.791 2.357 5.293 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.880 1.917 6.579 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.431 1.362 4.477 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.513 0.704 6.622 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.857 0.335 5.349 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.679 1.218 3.094 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.509 -0.808 4.900 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.319 0.072 2.664 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.721 -0.928 3.557 1.00 15.00 C ATOM 0 H TRP A 286 -2.774 5.146 6.834 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.273 2.938 5.677 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.810 4.455 5.042 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.010 3.576 3.754 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.505 2.449 7.441 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.699 0.162 7.466 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.377 1.982 2.393 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.836 -1.573 5.589 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.515 -0.056 1.610 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.209 -1.813 3.176 1.00 15.00 H new ATOM 121 N GLU A 287 0.255 4.260 4.284 1.00 15.00 N ATOM 122 CA GLU A 287 1.097 4.900 3.308 1.00 15.00 C ATOM 123 C GLU A 287 0.912 4.160 1.999 1.00 15.00 C ATOM 124 O GLU A 287 1.097 2.942 1.940 1.00 15.00 O ATOM 125 CB GLU A 287 2.553 4.856 3.767 1.00 15.00 C ATOM 126 CG GLU A 287 3.333 6.134 3.506 1.00 15.00 C ATOM 127 CD GLU A 287 2.769 7.329 4.247 1.00 15.00 C ATOM 128 OE1 GLU A 287 1.686 7.822 3.872 1.00 15.00 O ATOM 129 OE2 GLU A 287 3.422 7.789 5.208 1.00 15.00 O1- ATOM 0 H GLU A 287 0.660 3.429 4.715 1.00 15.00 H new ATOM 0 HA GLU A 287 0.829 5.949 3.183 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.578 4.641 4.835 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.055 4.029 3.264 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.372 5.987 3.801 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.332 6.342 2.436 1.00 15.00 H new ATOM 136 N VAL A 288 0.505 4.864 0.962 1.00 15.00 N ATOM 137 CA VAL A 288 0.242 4.208 -0.299 1.00 15.00 C ATOM 138 C VAL A 288 1.522 4.191 -1.128 1.00 15.00 C ATOM 139 O VAL A 288 2.062 5.226 -1.518 1.00 15.00 O ATOM 140 CB VAL A 288 -0.956 4.853 -1.073 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.067 5.256 -0.114 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.547 6.044 -1.928 1.00 15.00 C ATOM 0 H VAL A 288 0.352 5.872 0.967 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.065 3.181 -0.100 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.324 4.085 -1.754 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.888 5.702 -0.675 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.427 4.375 0.417 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.683 5.981 0.604 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.424 6.444 -2.437 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.113 6.816 -1.293 1.00 15.00 H new ATOM 0 HG23 VAL A 288 0.188 5.726 -2.667 1.00 15.00 H new ATOM 152 N ARG A 289 2.058 3.004 -1.328 1.00 15.00 N ATOM 153 CA ARG A 289 3.294 2.877 -2.057 1.00 15.00 C ATOM 154 C ARG A 289 2.961 2.419 -3.475 1.00 15.00 C ATOM 155 O ARG A 289 2.691 1.248 -3.723 1.00 15.00 O ATOM 156 CB ARG A 289 4.257 1.937 -1.291 1.00 15.00 C ATOM 157 CG ARG A 289 5.743 2.172 -1.561 1.00 15.00 C ATOM 158 CD ARG A 289 6.172 1.788 -2.969 1.00 15.00 C ATOM 159 NE ARG A 289 7.607 2.013 -3.174 1.00 15.00 N ATOM 160 CZ ARG A 289 8.477 1.055 -3.515 1.00 15.00 C ATOM 161 NH1 ARG A 289 8.079 -0.202 -3.634 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.756 1.349 -3.714 1.00 15.00 N ATOM 0 H ARG A 289 1.659 2.125 -0.998 1.00 15.00 H new ATOM 0 HA ARG A 289 3.821 3.827 -2.141 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.076 2.049 -0.222 1.00 15.00 H new ATOM 0 HB3 ARG A 289 4.015 0.906 -1.549 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.972 3.224 -1.394 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.330 1.600 -0.842 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.938 0.739 -3.148 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.604 2.370 -3.695 1.00 15.00 H new ATOM 0 HE ARG A 289 7.965 2.960 -3.049 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.103 -0.446 -3.465 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.748 -0.926 -3.894 1.00 15.00 H new ATOM 0 HH21 ARG A 289 10.081 2.310 -3.607 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.414 0.614 -3.974 1.00 15.00 H new ATOM 176 N SER A 290 2.875 3.387 -4.378 1.00 15.00 N ATOM 177 CA SER A 290 2.453 3.134 -5.746 1.00 15.00 C ATOM 178 C SER A 290 3.654 3.061 -6.678 1.00 15.00 C ATOM 179 O SER A 290 4.477 3.971 -6.718 1.00 15.00 O ATOM 180 CB SER A 290 1.485 4.232 -6.195 1.00 15.00 C ATOM 181 OG SER A 290 1.926 5.513 -5.768 1.00 15.00 O ATOM 0 H SER A 290 3.095 4.364 -4.183 1.00 15.00 H new ATOM 0 HA SER A 290 1.943 2.172 -5.786 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.395 4.219 -7.281 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.493 4.033 -5.791 1.00 15.00 H new ATOM 0 HG SER A 290 2.247 6.023 -6.541 1.00 15.00 H new ATOM 187 N THR A 291 3.748 1.981 -7.431 1.00 15.00 N ATOM 188 CA THR A 291 4.879 1.784 -8.315 1.00 15.00 C ATOM 189 C THR A 291 4.485 2.019 -9.773 1.00 15.00 C ATOM 190 O THR A 291 3.344 1.737 -10.172 1.00 15.00 O ATOM 191 CB THR A 291 5.465 0.372 -8.146 1.00 15.00 C ATOM 192 OG1 THR A 291 4.432 -0.609 -8.323 1.00 15.00 O ATOM 193 CG2 THR A 291 6.089 0.209 -6.764 1.00 15.00 C ATOM 0 H THR A 291 3.058 1.230 -7.448 1.00 15.00 H new ATOM 0 HA THR A 291 5.642 2.513 -8.043 1.00 15.00 H new ATOM 0 HB THR A 291 6.239 0.229 -8.900 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.811 -1.506 -8.216 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.497 -0.797 -6.666 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.888 0.939 -6.637 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.328 0.368 -6.000 1.00 15.00 H new ATOM 201 N VAL A 292 5.444 2.520 -10.559 1.00 15.00 N ATOM 202 CA VAL A 292 5.225 2.851 -11.971 1.00 15.00 C ATOM 203 C VAL A 292 4.821 1.608 -12.774 1.00 15.00 C ATOM 204 O VAL A 292 4.321 1.705 -13.898 1.00 15.00 O ATOM 205 CB VAL A 292 6.490 3.503 -12.591 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.643 2.513 -12.662 1.00 15.00 C ATOM 207 CG2 VAL A 292 6.189 4.087 -13.965 1.00 15.00 C ATOM 0 H VAL A 292 6.393 2.707 -10.235 1.00 15.00 H new ATOM 0 HA VAL A 292 4.407 3.570 -12.017 1.00 15.00 H new ATOM 0 HB VAL A 292 6.793 4.321 -11.937 1.00 15.00 H new ATOM 0 HG11 VAL A 292 8.514 3.000 -13.101 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.888 2.167 -11.658 1.00 15.00 H new ATOM 0 HG13 VAL A 292 7.354 1.662 -13.278 1.00 15.00 H new ATOM 0 HG21 VAL A 292 7.093 4.537 -14.375 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.844 3.295 -14.630 1.00 15.00 H new ATOM 0 HG23 VAL A 292 5.414 4.848 -13.875 1.00 15.00 H new ATOM 217 N SER A 293 5.033 0.444 -12.173 1.00 15.00 N ATOM 218 CA SER A 293 4.580 -0.825 -12.722 1.00 15.00 C ATOM 219 C SER A 293 3.058 -0.834 -12.925 1.00 15.00 C ATOM 220 O SER A 293 2.512 -1.722 -13.579 1.00 15.00 O ATOM 221 CB SER A 293 5.004 -1.958 -11.791 1.00 15.00 C ATOM 222 OG SER A 293 6.402 -1.919 -11.567 1.00 15.00 O ATOM 0 H SER A 293 5.527 0.355 -11.285 1.00 15.00 H new ATOM 0 HA SER A 293 5.040 -0.967 -13.700 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.475 -1.874 -10.842 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.726 -2.918 -12.227 1.00 15.00 H new ATOM 0 HG SER A 293 6.658 -2.650 -10.967 1.00 15.00 H new ATOM 228 N GLY A 294 2.377 0.134 -12.315 1.00 15.00 N ATOM 229 CA GLY A 294 0.945 0.263 -12.481 1.00 15.00 C ATOM 230 C GLY A 294 0.185 -0.520 -11.442 1.00 15.00 C ATOM 231 O GLY A 294 -0.830 -1.149 -11.741 1.00 15.00 O ATOM 0 H GLY A 294 2.799 0.834 -11.705 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.666 1.315 -12.419 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.662 -0.083 -13.475 1.00 15.00 H new ATOM 235 N ARG A 295 0.678 -0.484 -10.213 1.00 15.00 N ATOM 236 CA ARG A 295 0.030 -1.189 -9.120 1.00 15.00 C ATOM 237 C ARG A 295 0.268 -0.473 -7.797 1.00 15.00 C ATOM 238 O ARG A 295 1.411 -0.195 -7.417 1.00 15.00 O ATOM 239 CB ARG A 295 0.518 -2.650 -9.049 1.00 15.00 C ATOM 240 CG ARG A 295 2.032 -2.807 -9.037 1.00 15.00 C ATOM 241 CD ARG A 295 2.465 -4.094 -9.728 1.00 15.00 C ATOM 242 NE ARG A 295 2.426 -3.971 -11.188 1.00 15.00 N ATOM 243 CZ ARG A 295 3.022 -4.825 -12.024 1.00 15.00 C ATOM 244 NH1 ARG A 295 3.528 -5.962 -11.569 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 3.071 -4.560 -13.324 1.00 15.00 N ATOM 0 H ARG A 295 1.522 0.024 -9.949 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.043 -1.198 -9.310 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.110 -3.113 -8.151 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.115 -3.197 -9.901 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.491 -1.953 -9.535 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.391 -2.807 -8.008 1.00 15.00 H new ATOM 0 HD2 ARG A 295 3.476 -4.353 -9.413 1.00 15.00 H new ATOM 0 HD3 ARG A 295 1.814 -4.911 -9.415 1.00 15.00 H new ATOM 0 HE ARG A 295 1.913 -3.186 -11.590 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.463 -6.188 -10.576 1.00 15.00 H new ATOM 0 HH12 ARG A 295 3.982 -6.611 -12.211 1.00 15.00 H new ATOM 0 HH21 ARG A 295 2.653 -3.703 -13.686 1.00 15.00 H new ATOM 0 HH22 ARG A 295 3.527 -5.214 -13.961 1.00 15.00 H new ATOM 259 N ILE A 296 -0.820 -0.166 -7.102 1.00 15.00 N ATOM 260 CA ILE A 296 -0.734 0.377 -5.758 1.00 15.00 C ATOM 261 C ILE A 296 -0.733 -0.788 -4.783 1.00 15.00 C ATOM 262 O ILE A 296 -1.403 -1.797 -5.007 1.00 15.00 O ATOM 263 CB ILE A 296 -1.911 1.346 -5.441 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.705 2.054 -4.089 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.246 0.608 -5.451 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.840 2.981 -3.710 1.00 15.00 C ATOM 0 H ILE A 296 -1.772 -0.285 -7.450 1.00 15.00 H new ATOM 0 HA ILE A 296 0.182 0.960 -5.668 1.00 15.00 H new ATOM 0 HB ILE A 296 -1.928 2.104 -6.224 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.586 1.302 -3.309 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -0.777 2.625 -4.125 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.051 1.308 -5.227 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.411 0.168 -6.435 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.231 -0.181 -4.699 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.625 3.444 -2.747 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -2.946 3.756 -4.469 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -3.767 2.412 -3.640 1.00 15.00 H new ATOM 278 N TYR A 297 0.043 -0.671 -3.729 1.00 15.00 N ATOM 279 CA TYR A 297 0.230 -1.778 -2.820 1.00 15.00 C ATOM 280 C TYR A 297 0.492 -1.199 -1.463 1.00 15.00 C ATOM 281 O TYR A 297 1.290 -0.266 -1.308 1.00 15.00 O ATOM 282 CB TYR A 297 1.337 -2.751 -3.294 1.00 15.00 C ATOM 283 CG TYR A 297 2.754 -2.456 -2.837 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.518 -1.487 -3.464 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.336 -3.173 -1.790 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.813 -1.230 -3.063 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.631 -2.917 -1.385 1.00 15.00 C ATOM 288 CZ TYR A 297 5.363 -1.945 -2.025 1.00 15.00 C ATOM 289 OH TYR A 297 6.651 -1.678 -1.622 1.00 15.00 O ATOM 0 H TYR A 297 0.553 0.177 -3.481 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.667 -2.396 -2.785 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.074 -3.754 -2.957 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.329 -2.769 -4.384 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.093 -0.923 -4.281 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.764 -3.940 -1.289 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.393 -0.469 -3.563 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.066 -3.477 -0.570 1.00 15.00 H new ATOM 0 HH TYR A 297 7.157 -2.515 -1.568 1.00 15.00 H new ATOM 299 N PHE A 298 -0.195 -1.716 -0.485 1.00 15.00 N ATOM 300 CA PHE A 298 -0.246 -1.050 0.769 1.00 15.00 C ATOM 301 C PHE A 298 0.821 -1.433 1.721 1.00 15.00 C ATOM 302 O PHE A 298 1.201 -2.589 1.845 1.00 15.00 O ATOM 303 CB PHE A 298 -1.588 -1.212 1.390 1.00 15.00 C ATOM 304 CG PHE A 298 -2.371 -0.026 1.054 1.00 15.00 C ATOM 305 CD1 PHE A 298 -2.018 1.183 1.611 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.418 -0.093 0.162 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.701 2.308 1.305 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.114 1.042 -0.149 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.747 2.236 0.433 1.00 15.00 C ATOM 0 H PHE A 298 -0.720 -2.589 -0.537 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.063 0.001 0.545 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -2.077 -2.113 1.018 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.500 -1.320 2.471 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.187 1.232 2.299 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.688 -1.036 -0.289 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.422 3.253 1.746 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.941 1.003 -0.842 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.299 3.133 0.194 1.00 15.00 H new ATOM 319 N VAL A 299 1.262 -0.406 2.402 1.00 15.00 N ATOM 320 CA VAL A 299 2.324 -0.477 3.347 1.00 15.00 C ATOM 321 C VAL A 299 2.026 0.498 4.488 1.00 15.00 C ATOM 322 O VAL A 299 2.360 1.687 4.435 1.00 15.00 O ATOM 323 CB VAL A 299 3.661 -0.137 2.654 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.093 -1.269 1.736 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.509 1.132 1.839 1.00 15.00 C ATOM 0 H VAL A 299 0.871 0.531 2.303 1.00 15.00 H new ATOM 0 HA VAL A 299 2.407 -1.484 3.755 1.00 15.00 H new ATOM 0 HB VAL A 299 4.419 0.005 3.424 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.037 -1.009 1.258 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.220 -2.181 2.319 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.332 -1.429 0.973 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.455 1.367 1.352 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.738 0.988 1.082 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.225 1.954 2.496 1.00 15.00 H new ATOM 335 N ASP A 300 1.342 0.016 5.503 1.00 15.00 N ATOM 336 CA ASP A 300 1.033 0.862 6.636 1.00 15.00 C ATOM 337 C ASP A 300 2.157 0.750 7.639 1.00 15.00 C ATOM 338 O ASP A 300 2.519 -0.343 8.076 1.00 15.00 O ATOM 339 CB ASP A 300 -0.323 0.516 7.269 1.00 15.00 C ATOM 340 CG ASP A 300 -0.488 -0.949 7.603 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.082 -1.371 8.706 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -1.043 -1.685 6.763 1.00 15.00 O ATOM 0 H ASP A 300 0.994 -0.941 5.568 1.00 15.00 H new ATOM 0 HA ASP A 300 0.946 1.893 6.294 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.448 1.102 8.179 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -1.118 0.815 6.586 1.00 15.00 H new ATOM 347 N HIS A 301 2.734 1.895 7.968 1.00 15.00 N ATOM 348 CA HIS A 301 3.953 1.934 8.758 1.00 15.00 C ATOM 349 C HIS A 301 3.650 1.773 10.240 1.00 15.00 C ATOM 350 O HIS A 301 4.545 1.485 11.031 1.00 15.00 O ATOM 351 CB HIS A 301 4.710 3.254 8.554 1.00 15.00 C ATOM 352 CG HIS A 301 5.102 3.588 7.137 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.238 4.886 6.705 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.472 2.813 6.085 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.676 4.893 5.467 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.837 3.648 5.061 1.00 15.00 N ATOM 0 H HIS A 301 2.376 2.812 7.699 1.00 15.00 H new ATOM 0 HA HIS A 301 4.574 1.105 8.419 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.092 4.066 8.938 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.614 3.227 9.162 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.031 5.716 7.261 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.478 1.733 6.060 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.873 5.776 4.876 1.00 15.00 H new ATOM 365 N ASN A 302 2.394 1.971 10.615 1.00 15.00 N ATOM 366 CA ASN A 302 2.019 1.983 12.024 1.00 15.00 C ATOM 367 C ASN A 302 1.693 0.583 12.531 1.00 15.00 C ATOM 368 O ASN A 302 2.144 0.188 13.604 1.00 15.00 O ATOM 369 CB ASN A 302 0.845 2.946 12.278 1.00 15.00 C ATOM 370 CG ASN A 302 -0.410 2.604 11.490 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.344 2.014 10.411 1.00 15.00 O ATOM 372 ND2 ASN A 302 -1.560 2.997 12.015 1.00 15.00 N ATOM 0 H ASN A 302 1.620 2.125 9.968 1.00 15.00 H new ATOM 0 HA ASN A 302 2.881 2.344 12.586 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.607 2.942 13.342 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.157 3.959 12.025 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -2.434 2.814 11.523 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -1.572 3.483 12.912 1.00 15.00 H new ATOM 379 N ASN A 303 0.902 -0.163 11.776 1.00 15.00 N ATOM 380 CA ASN A 303 0.590 -1.540 12.143 1.00 15.00 C ATOM 381 C ASN A 303 1.519 -2.526 11.440 1.00 15.00 C ATOM 382 O ASN A 303 1.592 -3.697 11.821 1.00 15.00 O ATOM 383 CB ASN A 303 -0.869 -1.875 11.820 1.00 15.00 C ATOM 384 CG ASN A 303 -1.846 -1.227 12.783 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.308 -0.110 12.567 1.00 15.00 O ATOM 386 ND2 ASN A 303 -2.173 -1.930 13.854 1.00 15.00 N ATOM 0 H ASN A 303 0.466 0.156 10.911 1.00 15.00 H new ATOM 0 HA ASN A 303 0.742 -1.632 13.218 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.096 -1.549 10.805 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.003 -2.956 11.845 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -2.830 -1.547 14.534 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.769 -2.855 14.000 1.00 15.00 H new ATOM 393 N ARG A 304 2.216 -2.040 10.414 1.00 15.00 N ATOM 394 CA ARG A 304 3.100 -2.861 9.597 1.00 15.00 C ATOM 395 C ARG A 304 2.310 -3.968 8.910 1.00 15.00 C ATOM 396 O ARG A 304 2.289 -5.117 9.354 1.00 15.00 O ATOM 397 CB ARG A 304 4.268 -3.425 10.420 1.00 15.00 C ATOM 398 CG ARG A 304 5.149 -4.407 9.662 1.00 15.00 C ATOM 399 CD ARG A 304 6.427 -4.715 10.424 1.00 15.00 C ATOM 400 NE ARG A 304 6.178 -5.066 11.822 1.00 15.00 N ATOM 401 CZ ARG A 304 7.136 -5.130 12.741 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.401 -4.923 12.393 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 6.834 -5.416 14.001 1.00 15.00 N ATOM 0 H ARG A 304 2.181 -1.062 10.127 1.00 15.00 H new ATOM 0 HA ARG A 304 3.536 -2.227 8.825 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.884 -2.597 10.770 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.868 -3.921 11.305 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.598 -5.331 9.487 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.398 -3.994 8.685 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.948 -5.537 9.934 1.00 15.00 H new ATOM 0 HD3 ARG A 304 7.088 -3.849 10.383 1.00 15.00 H new ATOM 0 HE ARG A 304 5.220 -5.272 12.106 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.635 -4.715 11.422 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.138 -4.972 13.097 1.00 15.00 H new ATOM 0 HH21 ARG A 304 5.864 -5.588 14.267 1.00 15.00 H new ATOM 0 HH22 ARG A 304 7.572 -5.464 14.704 1.00 15.00 H new ATOM 417 N THR A 305 1.603 -3.588 7.862 1.00 15.00 N ATOM 418 CA THR A 305 0.803 -4.528 7.095 1.00 15.00 C ATOM 419 C THR A 305 0.892 -4.194 5.609 1.00 15.00 C ATOM 420 O THR A 305 1.105 -3.036 5.240 1.00 15.00 O ATOM 421 CB THR A 305 -0.675 -4.490 7.532 1.00 15.00 C ATOM 422 OG1 THR A 305 -0.779 -4.032 8.890 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.313 -5.866 7.412 1.00 15.00 C ATOM 0 H THR A 305 1.566 -2.628 7.520 1.00 15.00 H new ATOM 0 HA THR A 305 1.196 -5.528 7.278 1.00 15.00 H new ATOM 0 HB THR A 305 -1.203 -3.800 6.873 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.608 -3.068 8.924 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.355 -5.812 7.726 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.263 -6.201 6.376 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.778 -6.572 8.048 1.00 15.00 H new ATOM 431 N THR A 306 0.771 -5.206 4.762 1.00 15.00 N ATOM 432 CA THR A 306 0.773 -4.989 3.326 1.00 15.00 C ATOM 433 C THR A 306 -0.427 -5.661 2.667 1.00 15.00 C ATOM 434 O THR A 306 -0.678 -6.850 2.870 1.00 15.00 O ATOM 435 CB THR A 306 2.088 -5.474 2.685 1.00 15.00 C ATOM 436 OG1 THR A 306 2.386 -6.814 3.094 1.00 15.00 O ATOM 437 CG2 THR A 306 3.238 -4.559 3.075 1.00 15.00 C ATOM 0 H THR A 306 0.671 -6.181 5.044 1.00 15.00 H new ATOM 0 HA THR A 306 0.696 -3.915 3.159 1.00 15.00 H new ATOM 0 HB THR A 306 1.962 -5.452 1.602 1.00 15.00 H new ATOM 0 HG1 THR A 306 1.558 -7.336 3.132 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.159 -4.916 2.614 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.029 -3.546 2.732 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.351 -4.559 4.159 1.00 15.00 H new ATOM 445 N GLN A 307 -1.177 -4.883 1.894 1.00 15.00 N ATOM 446 CA GLN A 307 -2.419 -5.353 1.280 1.00 15.00 C ATOM 447 C GLN A 307 -2.584 -4.768 -0.121 1.00 15.00 C ATOM 448 O GLN A 307 -2.221 -3.626 -0.360 1.00 15.00 O ATOM 449 CB GLN A 307 -3.615 -4.934 2.146 1.00 15.00 C ATOM 450 CG GLN A 307 -3.691 -5.635 3.495 1.00 15.00 C ATOM 451 CD GLN A 307 -4.139 -7.076 3.373 1.00 15.00 C ATOM 452 OE1 GLN A 307 -5.331 -7.369 3.438 1.00 15.00 O ATOM 453 NE2 GLN A 307 -3.194 -7.984 3.195 1.00 15.00 N ATOM 0 H GLN A 307 -0.945 -3.914 1.675 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.376 -6.440 1.206 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.569 -3.858 2.312 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.534 -5.132 1.595 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.713 -5.601 3.975 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.382 -5.096 4.143 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -2.216 -7.699 3.147 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -3.443 -8.969 3.106 1.00 15.00 H new ATOM 462 N PHE A 308 -3.144 -5.544 -1.041 1.00 15.00 N ATOM 463 CA PHE A 308 -3.443 -5.040 -2.383 1.00 15.00 C ATOM 464 C PHE A 308 -4.827 -4.401 -2.426 1.00 15.00 C ATOM 465 O PHE A 308 -5.181 -3.711 -3.383 1.00 15.00 O ATOM 466 CB PHE A 308 -3.333 -6.146 -3.435 1.00 15.00 C ATOM 467 CG PHE A 308 -1.922 -6.391 -3.892 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.136 -5.329 -4.310 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.379 -7.669 -3.911 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.161 -5.532 -4.738 1.00 15.00 C ATOM 471 CE2 PHE A 308 -0.084 -7.871 -4.337 1.00 15.00 C ATOM 472 CZ PHE A 308 0.687 -6.802 -4.749 1.00 15.00 C ATOM 0 H PHE A 308 -3.400 -6.519 -0.888 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.700 -4.278 -2.619 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.741 -7.070 -3.025 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.946 -5.881 -4.296 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.543 -4.329 -4.301 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.975 -8.510 -3.590 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.761 -4.695 -5.063 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.329 -8.869 -4.349 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.702 -6.964 -5.080 1.00 15.00 H new ATOM 482 N THR A 309 -5.613 -4.673 -1.401 1.00 15.00 N ATOM 483 CA THR A 309 -6.959 -4.141 -1.295 1.00 15.00 C ATOM 484 C THR A 309 -6.940 -2.666 -0.891 1.00 15.00 C ATOM 485 O THR A 309 -6.543 -2.326 0.225 1.00 15.00 O ATOM 486 CB THR A 309 -7.760 -4.944 -0.256 1.00 15.00 C ATOM 487 OG1 THR A 309 -7.556 -6.345 -0.480 1.00 15.00 O ATOM 488 CG2 THR A 309 -9.245 -4.621 -0.334 1.00 15.00 C ATOM 0 H THR A 309 -5.337 -5.268 -0.620 1.00 15.00 H new ATOM 0 HA THR A 309 -7.432 -4.227 -2.273 1.00 15.00 H new ATOM 0 HB THR A 309 -7.408 -4.670 0.739 1.00 15.00 H new ATOM 0 HG1 THR A 309 -8.064 -6.859 0.182 1.00 15.00 H new ATOM 0 HG21 THR A 309 -9.784 -5.204 0.413 1.00 15.00 H new ATOM 0 HG22 THR A 309 -9.397 -3.559 -0.143 1.00 15.00 H new ATOM 0 HG23 THR A 309 -9.619 -4.868 -1.327 1.00 15.00 H new ATOM 496 N ASP A 310 -7.358 -1.798 -1.806 1.00 15.00 N ATOM 497 CA ASP A 310 -7.454 -0.371 -1.516 1.00 15.00 C ATOM 498 C ASP A 310 -8.850 -0.050 -0.988 1.00 15.00 C ATOM 499 O ASP A 310 -9.852 -0.418 -1.598 1.00 15.00 O ATOM 500 CB ASP A 310 -7.152 0.463 -2.771 1.00 15.00 C ATOM 501 CG ASP A 310 -7.093 1.952 -2.472 1.00 15.00 C ATOM 502 OD1 ASP A 310 -8.161 2.578 -2.310 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -5.979 2.505 -2.395 1.00 15.00 O ATOM 0 H ASP A 310 -7.635 -2.056 -2.753 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.715 -0.116 -0.757 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -6.202 0.142 -3.198 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.919 0.275 -3.523 1.00 15.00 H new ATOM 508 N PRO A 311 -8.941 0.641 0.158 1.00 15.00 N ATOM 509 CA PRO A 311 -10.217 0.908 0.813 1.00 15.00 C ATOM 510 C PRO A 311 -10.993 2.062 0.179 1.00 15.00 C ATOM 511 O PRO A 311 -12.184 2.238 0.443 1.00 15.00 O ATOM 512 CB PRO A 311 -9.807 1.254 2.239 1.00 15.00 C ATOM 513 CG PRO A 311 -8.454 1.861 2.102 1.00 15.00 C ATOM 514 CD PRO A 311 -7.808 1.216 0.901 1.00 15.00 C ATOM 0 HA PRO A 311 -10.894 0.057 0.736 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.510 1.951 2.696 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.781 0.366 2.871 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.526 2.941 1.969 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.860 1.689 3.000 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.264 1.945 0.300 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.092 0.448 1.196 1.00 15.00 H new ATOM 522 N ARG A 312 -10.326 2.854 -0.646 1.00 15.00 N ATOM 523 CA ARG A 312 -10.983 3.967 -1.319 1.00 15.00 C ATOM 524 C ARG A 312 -11.440 3.513 -2.693 1.00 15.00 C ATOM 525 O ARG A 312 -12.577 3.753 -3.101 1.00 15.00 O ATOM 526 CB ARG A 312 -10.042 5.170 -1.465 1.00 15.00 C ATOM 527 CG ARG A 312 -9.372 5.601 -0.171 1.00 15.00 C ATOM 528 CD ARG A 312 -8.567 6.882 -0.361 1.00 15.00 C ATOM 529 NE ARG A 312 -7.621 6.788 -1.476 1.00 15.00 N ATOM 530 CZ ARG A 312 -6.969 7.828 -2.002 1.00 15.00 C ATOM 531 NH1 ARG A 312 -7.154 9.059 -1.526 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -6.136 7.636 -3.015 1.00 15.00 N ATOM 0 H ARG A 312 -9.336 2.749 -0.866 1.00 15.00 H new ATOM 0 HA ARG A 312 -11.836 4.279 -0.717 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -9.271 4.927 -2.196 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -10.607 6.012 -1.866 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -10.129 5.756 0.598 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -8.716 4.806 0.183 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -9.249 7.714 -0.536 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -8.022 7.105 0.556 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.449 5.866 -1.877 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -7.799 9.215 -0.752 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.650 9.845 -1.936 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -5.996 6.697 -3.389 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -5.635 8.427 -3.421 1.00 15.00 H new ATOM 546 N LEU A 313 -10.538 2.839 -3.382 1.00 15.00 N ATOM 547 CA LEU A 313 -10.772 2.366 -4.732 1.00 15.00 C ATOM 548 C LEU A 313 -11.416 0.980 -4.681 1.00 15.00 C ATOM 549 O LEU A 313 -10.689 -0.034 -4.691 1.00 15.00 O ATOM 550 CB LEU A 313 -9.426 2.369 -5.483 1.00 15.00 C ATOM 551 CG LEU A 313 -9.452 2.087 -6.991 1.00 15.00 C ATOM 552 CD1 LEU A 313 -9.350 0.596 -7.260 1.00 15.00 C ATOM 553 CD2 LEU A 313 -10.708 2.667 -7.631 1.00 15.00 C ATOM 0 H LEU A 313 -9.615 2.603 -3.017 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.462 3.016 -5.269 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -8.959 3.342 -5.331 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -8.778 1.628 -5.014 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.588 2.575 -7.442 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -9.370 0.418 -8.335 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.416 0.215 -6.847 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -10.190 0.083 -6.792 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -10.703 2.454 -8.700 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -11.590 2.217 -7.175 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -10.730 3.746 -7.476 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -1.452 -8.568 -8.682 1.00 15.00 N ATOM 567 CA ASP B 221 0.021 -8.718 -8.647 1.00 15.00 C ATOM 568 C ASP B 221 0.405 -9.764 -7.602 1.00 15.00 C ATOM 569 O ASP B 221 -0.410 -10.120 -6.748 1.00 15.00 O ATOM 570 CB ASP B 221 0.691 -7.356 -8.364 1.00 15.00 C ATOM 571 CG ASP B 221 2.209 -7.436 -8.317 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.846 -7.311 -9.381 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 2.773 -7.626 -7.221 1.00 15.00 O ATOM 0 HA ASP B 221 0.377 -9.062 -9.618 1.00 15.00 H new ATOM 0 HB2 ASP B 221 0.394 -6.645 -9.135 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.324 -6.968 -7.414 1.00 15.00 H new ATOM 578 N THR B 222 1.635 -10.264 -7.688 1.00 15.00 N ATOM 579 CA THR B 222 2.150 -11.275 -6.766 1.00 15.00 C ATOM 580 C THR B 222 1.975 -10.861 -5.306 1.00 15.00 C ATOM 581 O THR B 222 1.912 -9.676 -5.015 1.00 15.00 O ATOM 582 CB THR B 222 3.640 -11.524 -7.052 1.00 15.00 C ATOM 583 OG1 THR B 222 4.317 -10.265 -7.159 1.00 15.00 O ATOM 584 CG2 THR B 222 3.824 -12.316 -8.337 1.00 15.00 C ATOM 0 H THR B 222 2.306 -9.979 -8.402 1.00 15.00 H new ATOM 0 HA THR B 222 1.577 -12.188 -6.925 1.00 15.00 H new ATOM 0 HB THR B 222 4.060 -12.105 -6.231 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.268 -10.419 -7.340 1.00 15.00 H new ATOM 0 HG21 THR B 222 4.887 -12.478 -8.515 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.320 -13.278 -8.246 1.00 15.00 H new ATOM 0 HG23 THR B 222 3.397 -11.760 -9.171 1.00 15.00 H new ATOM 592 N PRO B 223 1.949 -11.836 -4.373 1.00 15.00 N ATOM 593 CA PRO B 223 1.613 -11.583 -2.962 1.00 15.00 C ATOM 594 C PRO B 223 2.386 -10.402 -2.368 1.00 15.00 C ATOM 595 O PRO B 223 3.593 -10.271 -2.581 1.00 15.00 O ATOM 596 CB PRO B 223 2.020 -12.883 -2.270 1.00 15.00 C ATOM 597 CG PRO B 223 1.874 -13.926 -3.324 1.00 15.00 C ATOM 598 CD PRO B 223 2.235 -13.260 -4.624 1.00 15.00 C ATOM 0 HA PRO B 223 0.563 -11.319 -2.838 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.044 -12.832 -1.900 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.381 -13.093 -1.412 1.00 15.00 H new ATOM 0 HG2 PRO B 223 2.529 -14.774 -3.126 1.00 15.00 H new ATOM 0 HG3 PRO B 223 0.854 -14.310 -3.353 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.283 -13.420 -4.879 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.642 -13.648 -5.452 1.00 15.00 H new ATOM 606 N PRO B 224 1.691 -9.548 -1.586 1.00 15.00 N ATOM 607 CA PRO B 224 2.219 -8.251 -1.150 1.00 15.00 C ATOM 608 C PRO B 224 3.578 -8.338 -0.455 1.00 15.00 C ATOM 609 O PRO B 224 3.780 -9.129 0.471 1.00 15.00 O ATOM 610 CB PRO B 224 1.164 -7.699 -0.188 1.00 15.00 C ATOM 611 CG PRO B 224 0.189 -8.800 0.057 1.00 15.00 C ATOM 612 CD PRO B 224 0.339 -9.795 -1.057 1.00 15.00 C ATOM 0 HA PRO B 224 2.396 -7.612 -2.015 1.00 15.00 H new ATOM 0 HB2 PRO B 224 1.624 -7.374 0.746 1.00 15.00 H new ATOM 0 HB3 PRO B 224 0.666 -6.830 -0.617 1.00 15.00 H new ATOM 0 HG2 PRO B 224 0.379 -9.273 1.021 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.829 -8.411 0.088 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.235 -10.817 -0.694 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.421 -9.650 -1.825 1.00 15.00 H new ATOM 620 N PRO B 225 4.514 -7.496 -0.917 1.00 15.00 N ATOM 621 CA PRO B 225 5.879 -7.389 -0.372 1.00 15.00 C ATOM 622 C PRO B 225 5.908 -6.882 1.067 1.00 15.00 C ATOM 623 O PRO B 225 4.864 -6.638 1.671 1.00 15.00 O ATOM 624 CB PRO B 225 6.550 -6.351 -1.283 1.00 15.00 C ATOM 625 CG PRO B 225 5.693 -6.266 -2.495 1.00 15.00 C ATOM 626 CD PRO B 225 4.303 -6.569 -2.036 1.00 15.00 C ATOM 0 HA PRO B 225 6.368 -8.363 -0.351 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.623 -5.383 -0.787 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.565 -6.654 -1.541 1.00 15.00 H new ATOM 0 HG2 PRO B 225 5.749 -5.274 -2.944 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.018 -6.978 -3.254 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.778 -5.668 -1.719 1.00 15.00 H new ATOM 0 HD3 PRO B 225 3.707 -7.023 -2.828 1.00 15.00 H new ATOM 634 N ALA B 226 7.111 -6.755 1.620 1.00 15.00 N ATOM 635 CA ALA B 226 7.294 -6.073 2.896 1.00 15.00 C ATOM 636 C ALA B 226 6.946 -4.594 2.735 1.00 15.00 C ATOM 637 O ALA B 226 6.819 -4.107 1.610 1.00 15.00 O ATOM 638 CB ALA B 226 8.722 -6.241 3.394 1.00 15.00 C ATOM 0 H ALA B 226 7.971 -7.114 1.205 1.00 15.00 H new ATOM 0 HA ALA B 226 6.629 -6.516 3.638 1.00 15.00 H new ATOM 0 HB1 ALA B 226 8.838 -5.725 4.347 1.00 15.00 H new ATOM 0 HB2 ALA B 226 8.939 -7.301 3.527 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.414 -5.818 2.666 1.00 15.00 H new ATOM 644 N TYR B 227 6.798 -3.869 3.836 1.00 15.00 N ATOM 645 CA TYR B 227 6.308 -2.503 3.737 1.00 15.00 C ATOM 646 C TYR B 227 7.434 -1.482 3.638 1.00 15.00 C ATOM 647 O TYR B 227 8.432 -1.537 4.364 1.00 15.00 O ATOM 648 CB TYR B 227 5.366 -2.145 4.890 1.00 15.00 C ATOM 649 CG TYR B 227 6.061 -1.612 6.123 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.685 -2.458 7.032 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.100 -0.251 6.366 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.327 -1.951 8.147 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.736 0.264 7.475 1.00 15.00 C ATOM 654 CZ TYR B 227 7.349 -0.589 8.363 1.00 15.00 C ATOM 655 OH TYR B 227 7.990 -0.080 9.470 1.00 15.00 O ATOM 0 H TYR B 227 7.004 -4.192 4.781 1.00 15.00 H new ATOM 0 HA TYR B 227 5.741 -2.460 2.807 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.651 -1.400 4.541 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.795 -3.032 5.165 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.668 -3.525 6.866 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.621 0.423 5.671 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.809 -2.619 8.846 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.753 1.330 7.646 1.00 15.00 H new ATOM 0 HH TYR B 227 7.913 0.897 9.472 1.00 15.00 H new ATOM 665 N LEU B 228 7.232 -0.546 2.729 1.00 15.00 N ATOM 666 CA LEU B 228 8.153 0.551 2.478 1.00 15.00 C ATOM 667 C LEU B 228 7.384 1.871 2.471 1.00 15.00 C ATOM 668 O LEU B 228 6.179 1.872 2.316 1.00 15.00 O ATOM 669 CB LEU B 228 8.890 0.381 1.136 1.00 15.00 C ATOM 670 CG LEU B 228 9.917 -0.754 1.051 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.238 -2.102 0.878 1.00 15.00 C ATOM 672 CD2 LEU B 228 10.877 -0.502 -0.099 1.00 15.00 C ATOM 0 H LEU B 228 6.406 -0.525 2.131 1.00 15.00 H new ATOM 0 HA LEU B 228 8.898 0.552 3.274 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.145 0.224 0.356 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.399 1.317 0.907 1.00 15.00 H new ATOM 0 HG LEU B 228 10.474 -0.776 1.988 1.00 15.00 H new ATOM 0 HD11 LEU B 228 9.994 -2.885 0.821 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.583 -2.291 1.728 1.00 15.00 H new ATOM 0 HD13 LEU B 228 8.650 -2.098 -0.040 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.603 -1.313 -0.151 1.00 15.00 H new ATOM 0 HD22 LEU B 228 10.319 -0.453 -1.034 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.399 0.441 0.062 1.00 15.00 H new ATOM 684 N PRO B 229 8.053 3.013 2.643 1.00 15.00 N ATOM 685 CA PRO B 229 7.393 4.311 2.512 1.00 15.00 C ATOM 686 C PRO B 229 7.434 4.780 1.060 1.00 15.00 C ATOM 687 O PRO B 229 8.272 4.326 0.279 1.00 15.00 O ATOM 688 CB PRO B 229 8.257 5.235 3.392 1.00 15.00 C ATOM 689 CG PRO B 229 9.251 4.339 4.055 1.00 15.00 C ATOM 690 CD PRO B 229 9.413 3.162 3.143 1.00 15.00 C ATOM 0 HA PRO B 229 6.343 4.292 2.806 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.754 5.997 2.791 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.647 5.758 4.129 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.201 4.852 4.204 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.900 4.026 5.038 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.128 3.355 2.343 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.758 2.274 3.672 1.00 15.00 H new ATOM 698 N PRO B 230 6.553 5.715 0.674 1.00 15.00 N ATOM 699 CA PRO B 230 6.097 5.805 -0.708 1.00 15.00 C ATOM 700 C PRO B 230 6.934 6.683 -1.625 1.00 15.00 C ATOM 701 O PRO B 230 7.300 7.816 -1.304 1.00 15.00 O ATOM 702 CB PRO B 230 4.714 6.419 -0.532 1.00 15.00 C ATOM 703 CG PRO B 230 4.857 7.340 0.631 1.00 15.00 C ATOM 704 CD PRO B 230 5.903 6.732 1.529 1.00 15.00 C ATOM 0 HA PRO B 230 6.144 4.831 -1.196 1.00 15.00 H new ATOM 0 HB2 PRO B 230 4.402 6.957 -1.427 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.962 5.654 -0.341 1.00 15.00 H new ATOM 0 HG2 PRO B 230 5.157 8.335 0.304 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.909 7.450 1.158 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.617 7.479 1.875 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.457 6.283 2.416 1.00 15.00 H new ATOM 712 N GLU B 231 7.226 6.110 -2.779 1.00 15.00 N ATOM 713 CA GLU B 231 7.838 6.815 -3.883 1.00 15.00 C ATOM 714 C GLU B 231 6.821 6.847 -5.026 1.00 15.00 C ATOM 715 O GLU B 231 6.261 5.809 -5.372 1.00 15.00 O ATOM 716 CB GLU B 231 9.116 6.093 -4.325 1.00 15.00 C ATOM 717 CG GLU B 231 8.876 4.684 -4.852 1.00 15.00 C ATOM 718 CD GLU B 231 10.157 3.970 -5.204 1.00 15.00 C ATOM 719 OE1 GLU B 231 10.987 3.765 -4.293 1.00 15.00 O ATOM 720 OE2 GLU B 231 10.328 3.591 -6.380 1.00 15.00 O1- ATOM 0 H GLU B 231 7.040 5.126 -2.975 1.00 15.00 H new ATOM 0 HA GLU B 231 8.113 7.828 -3.589 1.00 15.00 H new ATOM 0 HB2 GLU B 231 9.605 6.682 -5.101 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.804 6.043 -3.481 1.00 15.00 H new ATOM 0 HG2 GLU B 231 8.337 4.106 -4.101 1.00 15.00 H new ATOM 0 HG3 GLU B 231 8.238 4.734 -5.734 1.00 15.00 H new ATOM 727 N ASP B 232 6.543 8.013 -5.585 1.00 15.00 N ATOM 728 CA ASP B 232 5.539 8.100 -6.632 1.00 15.00 C ATOM 729 C ASP B 232 5.865 9.231 -7.591 1.00 15.00 C ATOM 730 O ASP B 232 5.983 10.386 -7.176 1.00 15.00 O ATOM 731 CB ASP B 232 4.150 8.288 -6.014 1.00 15.00 C ATOM 732 CG ASP B 232 3.039 8.274 -7.045 1.00 15.00 C ATOM 733 OD1 ASP B 232 2.859 7.240 -7.724 1.00 15.00 O ATOM 734 OD2 ASP B 232 2.305 9.279 -7.142 1.00 15.00 O1- ATOM 0 H ASP B 232 6.988 8.897 -5.338 1.00 15.00 H new ATOM 0 HA ASP B 232 5.540 7.169 -7.199 1.00 15.00 H new ATOM 0 HB2 ASP B 232 3.972 7.497 -5.285 1.00 15.00 H new ATOM 0 HB3 ASP B 232 4.124 9.233 -5.472 1.00 15.00 H new ATOM 739 N PRO B 233 6.060 8.900 -8.875 1.00 15.00 N ATOM 740 CA PRO B 233 6.342 9.888 -9.919 1.00 15.00 C ATOM 741 C PRO B 233 5.277 10.977 -9.975 1.00 15.00 C ATOM 742 O PRO B 233 5.578 12.168 -9.887 1.00 15.00 O ATOM 743 CB PRO B 233 6.337 9.062 -11.209 1.00 15.00 C ATOM 744 CG PRO B 233 6.644 7.673 -10.772 1.00 15.00 C ATOM 745 CD PRO B 233 6.029 7.525 -9.410 1.00 15.00 C ATOM 0 HA PRO B 233 7.281 10.412 -9.744 1.00 15.00 H new ATOM 0 HB2 PRO B 233 5.370 9.115 -11.709 1.00 15.00 H new ATOM 0 HB3 PRO B 233 7.082 9.428 -11.916 1.00 15.00 H new ATOM 0 HG2 PRO B 233 6.230 6.944 -11.469 1.00 15.00 H new ATOM 0 HG3 PRO B 233 7.720 7.504 -10.735 1.00 15.00 H new ATOM 0 HD2 PRO B 233 5.012 7.138 -9.467 1.00 15.00 H new ATOM 0 HD3 PRO B 233 6.597 6.837 -8.784 1.00 15.00 H new HETATM 753 N NH2 B 234 4.031 10.564 -10.133 1.00 15.00 N TER 756 NH2 B 234