USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 555 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 336 LYS NZ :NH3+ 163:sc= -0.154 (180deg=-0.969) USER MOD Set 1.2: A 337 THR OG1 : rot 90:sc= 0.0171 USER MOD Set 2.1: A 321 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Set 2.2: A 334 HIS : no HE2:sc= 0.574 K(o=0.57,f=-2.8!) USER MOD Single : A 290 SER OG : rot 180:sc=-0.00754 USER MOD Single : A 293 THR OG1 : rot 169:sc= -0.1 USER MOD Single : A 294 MET CE :methyl 151:sc= 0 (180deg=-1.32!) USER MOD Single : A 295 LYS NZ :NH3+ 145:sc= 0.739 (180deg=-0.591) USER MOD Single : A 301 THR OG1 : rot 44:sc= -0.435 USER MOD Single : A 305 GLN : amide:sc= -3.11! C(o=-3.1!,f=-6.5!) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 310 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-11!) USER MOD Single : A 311 LYS NZ :NH3+ -153:sc= -0.228 (180deg=-1) USER MOD Single : A 312 CYS SG : rot -77:sc= -3.69! USER MOD Single : A 313 GLN : amide:sc= -3.46! C(o=-3.5!,f=-8.5!) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 323 SER OG : rot 180:sc= -0.494 USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 LYS NZ :NH3+ -136:sc= -0.051 (180deg=-0.605) USER MOD Single : A 340 THR OG1 : rot 81:sc= 0.3 USER MOD Single : A 341 GLN :FLIP amide:sc= -0.622 F(o=-1.5!,f=-0.62) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.329 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -28:sc= 0.503 USER MOD Single : A 346 ASN :FLIP amide:sc= -0.201 F(o=-0.97,f=-0.2) USER MOD Single : A 350 GLN :FLIP amide:sc= -0.108 F(o=-2.6!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.938 2.507 1.911 1.00 0.00 N ATOM 2 CA PHE A 289 -18.566 2.031 1.582 1.00 0.00 C ATOM 3 C PHE A 289 -18.071 2.745 0.323 1.00 0.00 C ATOM 4 O PHE A 289 -17.125 2.325 -0.314 1.00 0.00 O ATOM 5 CB PHE A 289 -18.606 0.525 1.309 1.00 0.00 C ATOM 6 CG PHE A 289 -19.512 -0.149 2.309 1.00 0.00 C ATOM 7 CD1 PHE A 289 -20.897 -0.134 2.113 1.00 0.00 C ATOM 8 CD2 PHE A 289 -18.970 -0.790 3.429 1.00 0.00 C ATOM 9 CE1 PHE A 289 -21.742 -0.760 3.038 1.00 0.00 C ATOM 10 CE2 PHE A 289 -19.814 -1.416 4.354 1.00 0.00 C ATOM 11 CZ PHE A 289 -21.201 -1.400 4.159 1.00 0.00 C ATOM 0 HA PHE A 289 -17.898 2.242 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -18.964 0.339 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.601 0.107 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -21.315 0.360 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.901 -0.802 3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -22.811 -0.749 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -19.396 -1.911 5.218 1.00 0.00 H new ATOM 0 HZ PHE A 289 -21.853 -1.881 4.873 1.00 0.00 H new ATOM 21 N SER A 290 -18.730 3.801 -0.056 1.00 0.00 N ATOM 22 CA SER A 290 -18.345 4.537 -1.296 1.00 0.00 C ATOM 23 C SER A 290 -17.389 5.694 -0.990 1.00 0.00 C ATOM 24 O SER A 290 -16.422 5.900 -1.691 1.00 0.00 O ATOM 25 CB SER A 290 -19.625 5.078 -1.966 1.00 0.00 C ATOM 26 OG SER A 290 -19.532 6.489 -2.130 1.00 0.00 O ATOM 0 H SER A 290 -19.528 4.192 0.444 1.00 0.00 H new ATOM 0 HA SER A 290 -17.826 3.850 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.767 4.600 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 290 -20.495 4.831 -1.358 1.00 0.00 H new ATOM 0 HG SER A 290 -20.348 6.823 -2.558 1.00 0.00 H new ATOM 32 N PRO A 291 -17.667 6.462 0.020 1.00 0.00 N ATOM 33 CA PRO A 291 -16.831 7.627 0.384 1.00 0.00 C ATOM 34 C PRO A 291 -15.693 7.278 1.348 1.00 0.00 C ATOM 35 O PRO A 291 -14.571 7.703 1.171 1.00 0.00 O ATOM 36 CB PRO A 291 -17.842 8.559 1.051 1.00 0.00 C ATOM 37 CG PRO A 291 -18.808 7.636 1.734 1.00 0.00 C ATOM 38 CD PRO A 291 -18.805 6.316 0.937 1.00 0.00 C ATOM 0 HA PRO A 291 -16.321 8.054 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.357 9.225 1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.345 9.189 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.511 7.463 2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.807 8.071 1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.682 5.454 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.740 6.174 0.395 1.00 0.00 H new ATOM 46 N GLU A 292 -15.980 6.537 2.383 1.00 0.00 N ATOM 47 CA GLU A 292 -14.910 6.198 3.380 1.00 0.00 C ATOM 48 C GLU A 292 -14.145 4.925 2.991 1.00 0.00 C ATOM 49 O GLU A 292 -12.932 4.924 2.860 1.00 0.00 O ATOM 50 CB GLU A 292 -15.547 6.015 4.766 1.00 0.00 C ATOM 51 CG GLU A 292 -16.628 4.923 4.722 1.00 0.00 C ATOM 52 CD GLU A 292 -17.599 5.106 5.891 1.00 0.00 C ATOM 53 OE1 GLU A 292 -17.203 4.832 7.012 1.00 0.00 O ATOM 54 OE2 GLU A 292 -18.721 5.516 5.645 1.00 0.00 O ATOM 0 H GLU A 292 -16.902 6.151 2.586 1.00 0.00 H new ATOM 0 HA GLU A 292 -14.194 7.020 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.780 5.747 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.986 6.956 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -17.169 4.972 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -16.165 3.938 4.773 1.00 0.00 H new ATOM 61 N THR A 293 -14.839 3.838 2.834 1.00 0.00 N ATOM 62 CA THR A 293 -14.166 2.553 2.493 1.00 0.00 C ATOM 63 C THR A 293 -13.493 2.639 1.138 1.00 0.00 C ATOM 64 O THR A 293 -12.398 2.148 0.947 1.00 0.00 O ATOM 65 CB THR A 293 -15.213 1.444 2.425 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.940 1.392 3.644 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.534 0.100 2.169 1.00 0.00 C ATOM 0 H THR A 293 -15.853 3.781 2.927 1.00 0.00 H new ATOM 0 HA THR A 293 -13.418 2.345 3.258 1.00 0.00 H new ATOM 0 HB THR A 293 -15.901 1.656 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.722 0.811 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.288 -0.686 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.992 0.140 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.836 -0.115 2.978 1.00 0.00 H new ATOM 75 N MET A 294 -14.150 3.207 0.179 1.00 0.00 N ATOM 76 CA MET A 294 -13.545 3.251 -1.166 1.00 0.00 C ATOM 77 C MET A 294 -12.276 4.106 -1.138 1.00 0.00 C ATOM 78 O MET A 294 -11.299 3.770 -1.764 1.00 0.00 O ATOM 79 CB MET A 294 -14.559 3.796 -2.180 1.00 0.00 C ATOM 80 CG MET A 294 -14.350 3.117 -3.539 1.00 0.00 C ATOM 81 SD MET A 294 -15.609 3.696 -4.701 1.00 0.00 S ATOM 82 CE MET A 294 -16.875 2.469 -4.283 1.00 0.00 C ATOM 0 H MET A 294 -15.070 3.638 0.266 1.00 0.00 H new ATOM 0 HA MET A 294 -13.269 2.242 -1.473 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.574 3.616 -1.826 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.443 4.875 -2.280 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.355 3.343 -3.922 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.411 2.034 -3.430 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.864 2.893 -4.457 1.00 0.00 H new ATOM 0 HE2 MET A 294 -16.744 1.584 -4.906 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.779 2.191 -3.233 1.00 0.00 H new ATOM 92 N LYS A 295 -12.256 5.195 -0.410 1.00 0.00 N ATOM 93 CA LYS A 295 -11.008 6.012 -0.369 1.00 0.00 C ATOM 94 C LYS A 295 -9.847 5.087 -0.023 1.00 0.00 C ATOM 95 O LYS A 295 -8.796 5.143 -0.630 1.00 0.00 O ATOM 96 CB LYS A 295 -11.137 7.116 0.688 1.00 0.00 C ATOM 97 CG LYS A 295 -11.824 8.338 0.079 1.00 0.00 C ATOM 98 CD LYS A 295 -12.084 9.361 1.179 1.00 0.00 C ATOM 99 CE LYS A 295 -12.725 10.611 0.576 1.00 0.00 C ATOM 100 NZ LYS A 295 -13.959 10.225 -0.166 1.00 0.00 N ATOM 0 H LYS A 295 -13.034 5.547 0.147 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.835 6.485 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.711 6.751 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.151 7.391 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -11.197 8.773 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -12.762 8.046 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -12.739 8.935 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -11.149 9.623 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -12.969 11.324 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -12.023 11.105 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -14.673 10.974 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -13.732 10.095 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -14.334 9.336 0.222 1.00 0.00 H new ATOM 114 N ALA A 296 -10.032 4.213 0.922 1.00 0.00 N ATOM 115 CA ALA A 296 -8.931 3.277 1.251 1.00 0.00 C ATOM 116 C ALA A 296 -8.703 2.391 0.026 1.00 0.00 C ATOM 117 O ALA A 296 -7.591 2.049 -0.313 1.00 0.00 O ATOM 118 CB ALA A 296 -9.317 2.422 2.458 1.00 0.00 C ATOM 0 H ALA A 296 -10.884 4.108 1.472 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.021 3.822 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.503 1.737 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.507 3.068 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.216 1.851 2.227 1.00 0.00 H new ATOM 124 N ARG A 297 -9.766 2.038 -0.649 1.00 0.00 N ATOM 125 CA ARG A 297 -9.646 1.193 -1.869 1.00 0.00 C ATOM 126 C ARG A 297 -8.933 1.988 -2.966 1.00 0.00 C ATOM 127 O ARG A 297 -8.117 1.466 -3.697 1.00 0.00 O ATOM 128 CB ARG A 297 -11.050 0.816 -2.348 1.00 0.00 C ATOM 129 CG ARG A 297 -10.965 -0.316 -3.378 1.00 0.00 C ATOM 130 CD ARG A 297 -12.374 -0.863 -3.710 1.00 0.00 C ATOM 131 NE ARG A 297 -12.814 -0.329 -5.028 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.813 -0.886 -5.657 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.430 -1.908 -5.126 1.00 0.00 N ATOM 134 NH2 ARG A 297 -14.196 -0.423 -6.815 1.00 0.00 N ATOM 0 H ARG A 297 -10.720 2.303 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.076 0.292 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.661 0.503 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.538 1.685 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.488 0.049 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.340 -1.120 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.357 -1.953 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.081 -0.573 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 297 -12.335 0.472 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.131 -2.270 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.211 -2.344 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -13.715 0.375 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -14.977 -0.859 -7.306 1.00 0.00 H new ATOM 148 N ARG A 298 -9.234 3.252 -3.079 1.00 0.00 N ATOM 149 CA ARG A 298 -8.575 4.091 -4.114 1.00 0.00 C ATOM 150 C ARG A 298 -7.100 4.221 -3.747 1.00 0.00 C ATOM 151 O ARG A 298 -6.224 3.949 -4.545 1.00 0.00 O ATOM 152 CB ARG A 298 -9.241 5.473 -4.142 1.00 0.00 C ATOM 153 CG ARG A 298 -10.524 5.430 -4.995 1.00 0.00 C ATOM 154 CD ARG A 298 -10.185 5.568 -6.488 1.00 0.00 C ATOM 155 NE ARG A 298 -11.407 5.996 -7.247 1.00 0.00 N ATOM 156 CZ ARG A 298 -12.524 5.319 -7.182 1.00 0.00 C ATOM 157 NH1 ARG A 298 -12.559 4.148 -6.610 1.00 0.00 N ATOM 158 NH2 ARG A 298 -13.598 5.796 -7.751 1.00 0.00 N ATOM 0 H ARG A 298 -9.912 3.741 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.671 3.638 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -9.481 5.789 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -8.549 6.210 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -11.052 4.492 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -11.195 6.234 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -9.387 6.298 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -9.818 4.618 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 298 -11.365 6.834 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -11.710 3.751 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -13.436 3.628 -6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -13.561 6.690 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -14.474 5.275 -7.705 1.00 0.00 H new ATOM 172 N ALA A 299 -6.817 4.611 -2.533 1.00 0.00 N ATOM 173 CA ALA A 299 -5.394 4.723 -2.111 1.00 0.00 C ATOM 174 C ALA A 299 -4.727 3.374 -2.375 1.00 0.00 C ATOM 175 O ALA A 299 -3.542 3.283 -2.630 1.00 0.00 O ATOM 176 CB ALA A 299 -5.320 5.053 -0.618 1.00 0.00 C ATOM 0 H ALA A 299 -7.505 4.855 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 299 -4.891 5.516 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.276 5.134 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.827 5.999 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.804 4.261 -0.046 1.00 0.00 H new ATOM 182 N TRP A 300 -5.507 2.328 -2.338 1.00 0.00 N ATOM 183 CA TRP A 300 -4.971 0.968 -2.605 1.00 0.00 C ATOM 184 C TRP A 300 -4.970 0.727 -4.114 1.00 0.00 C ATOM 185 O TRP A 300 -4.317 -0.168 -4.604 1.00 0.00 O ATOM 186 CB TRP A 300 -5.871 -0.074 -1.944 1.00 0.00 C ATOM 187 CG TRP A 300 -5.932 0.054 -0.438 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.871 -0.578 0.311 1.00 0.00 C ATOM 189 CD2 TRP A 300 -5.089 0.799 0.528 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.659 -0.307 1.641 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.584 0.527 1.834 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.962 1.657 0.432 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.997 1.067 2.976 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.375 2.198 1.588 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.890 1.899 2.854 1.00 0.00 C ATOM 0 H TRP A 300 -6.505 2.361 -2.131 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.960 0.888 -2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.878 0.017 -2.350 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.512 -1.070 -2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.664 -1.199 -0.079 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.233 -0.681 2.397 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.552 1.896 -0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.400 0.840 3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.519 2.850 1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.427 2.315 3.737 1.00 0.00 H new ATOM 206 N THR A 301 -5.691 1.519 -4.858 1.00 0.00 N ATOM 207 CA THR A 301 -5.718 1.327 -6.337 1.00 0.00 C ATOM 208 C THR A 301 -4.526 2.049 -6.972 1.00 0.00 C ATOM 209 O THR A 301 -3.764 1.476 -7.725 1.00 0.00 O ATOM 210 CB THR A 301 -7.015 1.907 -6.901 1.00 0.00 C ATOM 211 OG1 THR A 301 -8.099 1.549 -6.057 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.260 1.360 -8.309 1.00 0.00 C ATOM 0 H THR A 301 -6.261 2.289 -4.508 1.00 0.00 H new ATOM 0 HA THR A 301 -5.661 0.262 -6.563 1.00 0.00 H new ATOM 0 HB THR A 301 -6.932 2.993 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.841 1.679 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 301 -8.186 1.777 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.429 1.639 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.340 0.274 -8.269 1.00 0.00 H new ATOM 220 N ASP A 302 -4.373 3.313 -6.682 1.00 0.00 N ATOM 221 CA ASP A 302 -3.246 4.089 -7.274 1.00 0.00 C ATOM 222 C ASP A 302 -1.911 3.454 -6.887 1.00 0.00 C ATOM 223 O ASP A 302 -1.023 3.315 -7.702 1.00 0.00 O ATOM 224 CB ASP A 302 -3.292 5.528 -6.755 1.00 0.00 C ATOM 225 CG ASP A 302 -4.674 6.125 -7.027 1.00 0.00 C ATOM 226 OD1 ASP A 302 -4.905 6.546 -8.149 1.00 0.00 O ATOM 227 OD2 ASP A 302 -5.477 6.151 -6.110 1.00 0.00 O ATOM 0 H ASP A 302 -4.982 3.843 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.342 4.084 -8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.080 5.547 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.523 6.127 -7.243 1.00 0.00 H new ATOM 232 N VAL A 303 -1.752 3.072 -5.653 1.00 0.00 N ATOM 233 CA VAL A 303 -0.465 2.458 -5.243 1.00 0.00 C ATOM 234 C VAL A 303 -0.370 1.040 -5.820 1.00 0.00 C ATOM 235 O VAL A 303 0.705 0.534 -6.067 1.00 0.00 O ATOM 236 CB VAL A 303 -0.397 2.408 -3.714 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.641 3.807 -3.143 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.459 1.438 -3.187 1.00 0.00 C ATOM 0 H VAL A 303 -2.452 3.158 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 303 0.367 3.052 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 303 0.590 2.063 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.592 3.769 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.121 4.491 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.626 4.159 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.411 1.402 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.448 1.778 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.275 0.443 -3.591 1.00 0.00 H new ATOM 248 N ILE A 304 -1.485 0.394 -6.046 1.00 0.00 N ATOM 249 CA ILE A 304 -1.437 -0.990 -6.607 1.00 0.00 C ATOM 250 C ILE A 304 -0.672 -0.972 -7.943 1.00 0.00 C ATOM 251 O ILE A 304 0.090 -1.871 -8.236 1.00 0.00 O ATOM 252 CB ILE A 304 -2.893 -1.511 -6.785 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.252 -2.473 -5.633 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.075 -2.256 -8.115 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.766 -2.757 -5.593 1.00 0.00 C ATOM 0 H ILE A 304 -2.420 0.761 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.912 -1.663 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.550 -0.641 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.707 -3.409 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.935 -2.041 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.105 -2.603 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.850 -1.583 -8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.400 -3.111 -8.148 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.987 -3.438 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.308 -1.823 -5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.076 -3.212 -6.534 1.00 0.00 H new ATOM 267 N GLN A 305 -0.870 0.030 -8.755 1.00 0.00 N ATOM 268 CA GLN A 305 -0.147 0.071 -10.060 1.00 0.00 C ATOM 269 C GLN A 305 1.314 0.473 -9.824 1.00 0.00 C ATOM 270 O GLN A 305 2.203 0.077 -10.552 1.00 0.00 O ATOM 271 CB GLN A 305 -0.850 1.066 -11.011 1.00 0.00 C ATOM 272 CG GLN A 305 -0.339 2.503 -10.789 1.00 0.00 C ATOM 273 CD GLN A 305 0.946 2.731 -11.591 1.00 0.00 C ATOM 274 OE1 GLN A 305 1.444 1.827 -12.232 1.00 0.00 O ATOM 275 NE2 GLN A 305 1.503 3.909 -11.582 1.00 0.00 N ATOM 0 H GLN A 305 -1.495 0.816 -8.575 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.162 -0.915 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -0.675 0.770 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.927 1.031 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.101 3.220 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 305 -0.151 2.671 -9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 305 1.084 4.667 -11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 305 2.358 4.073 -12.114 1.00 0.00 H new ATOM 284 N THR A 306 1.566 1.261 -8.815 1.00 0.00 N ATOM 285 CA THR A 306 2.965 1.693 -8.536 1.00 0.00 C ATOM 286 C THR A 306 3.761 0.530 -7.933 1.00 0.00 C ATOM 287 O THR A 306 4.810 0.174 -8.417 1.00 0.00 O ATOM 288 CB THR A 306 2.945 2.866 -7.553 1.00 0.00 C ATOM 289 OG1 THR A 306 2.344 3.993 -8.178 1.00 0.00 O ATOM 290 CG2 THR A 306 4.371 3.221 -7.123 1.00 0.00 C ATOM 0 H THR A 306 0.863 1.625 -8.171 1.00 0.00 H new ATOM 0 HA THR A 306 3.440 2.003 -9.467 1.00 0.00 H new ATOM 0 HB THR A 306 2.371 2.582 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 306 2.328 4.745 -7.550 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.343 4.057 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 306 4.831 2.359 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.956 3.500 -7.999 1.00 0.00 H new ATOM 298 N LEU A 307 3.278 -0.065 -6.877 1.00 0.00 N ATOM 299 CA LEU A 307 4.026 -1.203 -6.257 1.00 0.00 C ATOM 300 C LEU A 307 4.447 -2.188 -7.357 1.00 0.00 C ATOM 301 O LEU A 307 5.615 -2.457 -7.555 1.00 0.00 O ATOM 302 CB LEU A 307 3.110 -1.924 -5.246 1.00 0.00 C ATOM 303 CG LEU A 307 3.233 -1.332 -3.826 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.667 -1.474 -3.282 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.818 0.142 -3.835 1.00 0.00 C ATOM 0 H LEU A 307 2.403 0.184 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 307 4.911 -0.827 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.075 -1.852 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.363 -2.984 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 307 2.567 -1.891 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.720 -1.047 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.938 -2.529 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.359 -0.946 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.908 0.551 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.466 0.698 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.784 0.227 -4.170 1.00 0.00 H new ATOM 317 N ARG A 308 3.493 -2.730 -8.063 1.00 0.00 N ATOM 318 CA ARG A 308 3.811 -3.704 -9.144 1.00 0.00 C ATOM 319 C ARG A 308 4.883 -3.133 -10.083 1.00 0.00 C ATOM 320 O ARG A 308 5.341 -3.804 -10.986 1.00 0.00 O ATOM 321 CB ARG A 308 2.536 -4.003 -9.945 1.00 0.00 C ATOM 322 CG ARG A 308 2.723 -5.292 -10.761 1.00 0.00 C ATOM 323 CD ARG A 308 1.418 -5.655 -11.490 1.00 0.00 C ATOM 324 NE ARG A 308 1.326 -7.142 -11.647 1.00 0.00 N ATOM 325 CZ ARG A 308 2.324 -7.839 -12.127 1.00 0.00 C ATOM 326 NH1 ARG A 308 3.351 -7.245 -12.668 1.00 0.00 N ATOM 327 NH2 ARG A 308 2.265 -9.142 -12.118 1.00 0.00 N ATOM 0 H ARG A 308 2.499 -2.538 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 308 4.192 -4.621 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 308 1.688 -4.110 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.310 -3.170 -10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 308 3.527 -5.159 -11.485 1.00 0.00 H new ATOM 0 HG3 ARG A 308 3.019 -6.108 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.561 -5.285 -10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 308 1.390 -5.174 -12.468 1.00 0.00 H new ATOM 0 HE ARG A 308 0.468 -7.621 -11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 308 3.382 -6.227 -12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 308 4.123 -7.799 -13.039 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.444 -9.613 -11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 308 3.040 -9.690 -12.491 1.00 0.00 H new ATOM 341 N GLU A 309 5.287 -1.902 -9.899 1.00 0.00 N ATOM 342 CA GLU A 309 6.317 -1.326 -10.817 1.00 0.00 C ATOM 343 C GLU A 309 7.728 -1.700 -10.328 1.00 0.00 C ATOM 344 O GLU A 309 8.693 -1.534 -11.047 1.00 0.00 O ATOM 345 CB GLU A 309 6.138 0.213 -10.892 1.00 0.00 C ATOM 346 CG GLU A 309 7.028 0.942 -9.862 1.00 0.00 C ATOM 347 CD GLU A 309 8.459 1.080 -10.400 1.00 0.00 C ATOM 348 OE1 GLU A 309 8.641 0.970 -11.602 1.00 0.00 O ATOM 349 OE2 GLU A 309 9.351 1.295 -9.596 1.00 0.00 O ATOM 0 H GLU A 309 4.954 -1.278 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 309 6.190 -1.738 -11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.384 0.560 -11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.093 0.467 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.616 1.928 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 309 7.037 0.389 -8.923 1.00 0.00 H new ATOM 356 N HIS A 310 7.857 -2.216 -9.122 1.00 0.00 N ATOM 357 CA HIS A 310 9.212 -2.612 -8.609 1.00 0.00 C ATOM 358 C HIS A 310 9.159 -4.016 -7.988 1.00 0.00 C ATOM 359 O HIS A 310 8.380 -4.856 -8.393 1.00 0.00 O ATOM 360 CB HIS A 310 9.714 -1.575 -7.588 1.00 0.00 C ATOM 361 CG HIS A 310 9.104 -1.795 -6.227 1.00 0.00 C ATOM 362 ND1 HIS A 310 9.726 -2.570 -5.261 1.00 0.00 N ATOM 363 CD2 HIS A 310 7.958 -1.315 -5.641 1.00 0.00 C ATOM 364 CE1 HIS A 310 8.962 -2.532 -4.155 1.00 0.00 C ATOM 365 NE2 HIS A 310 7.871 -1.781 -4.333 1.00 0.00 N ATOM 0 H HIS A 310 7.085 -2.379 -8.475 1.00 0.00 H new ATOM 0 HA HIS A 310 9.913 -2.639 -9.443 1.00 0.00 H new ATOM 0 HB2 HIS A 310 10.800 -1.633 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 310 9.471 -0.572 -7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.235 -0.674 -6.122 1.00 0.00 H new ATOM 0 HE1 HIS A 310 9.201 -3.046 -3.235 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.133 -1.590 -3.655 1.00 0.00 H new ATOM 373 N LYS A 311 10.004 -4.281 -7.025 1.00 0.00 N ATOM 374 CA LYS A 311 10.038 -5.636 -6.390 1.00 0.00 C ATOM 375 C LYS A 311 9.034 -5.744 -5.242 1.00 0.00 C ATOM 376 O LYS A 311 9.401 -5.759 -4.084 1.00 0.00 O ATOM 377 CB LYS A 311 11.445 -5.905 -5.856 1.00 0.00 C ATOM 378 CG LYS A 311 12.475 -5.458 -6.893 1.00 0.00 C ATOM 379 CD LYS A 311 13.855 -5.990 -6.504 1.00 0.00 C ATOM 380 CE LYS A 311 14.850 -5.683 -7.623 1.00 0.00 C ATOM 381 NZ LYS A 311 14.400 -6.341 -8.882 1.00 0.00 N ATOM 0 H LYS A 311 10.677 -3.614 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 311 9.768 -6.373 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.599 -5.369 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.567 -6.966 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.196 -5.827 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 311 12.497 -4.370 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 311 14.185 -5.530 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.807 -7.065 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 311 14.927 -4.606 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 311 15.843 -6.039 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 15.224 -6.536 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 13.919 -7.234 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 13.743 -5.713 -9.386 1.00 0.00 H new ATOM 395 N CYS A 312 7.776 -5.854 -5.551 1.00 0.00 N ATOM 396 CA CYS A 312 6.760 -6.003 -4.477 1.00 0.00 C ATOM 397 C CYS A 312 5.399 -6.224 -5.110 1.00 0.00 C ATOM 398 O CYS A 312 4.761 -5.311 -5.595 1.00 0.00 O ATOM 399 CB CYS A 312 6.724 -4.764 -3.598 1.00 0.00 C ATOM 400 SG CYS A 312 5.216 -4.757 -2.590 1.00 0.00 S ATOM 0 H CYS A 312 7.406 -5.847 -6.502 1.00 0.00 H new ATOM 0 HA CYS A 312 7.023 -6.858 -3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 312 7.602 -4.741 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.760 -3.868 -4.218 1.00 0.00 H new ATOM 0 HG CYS A 312 4.205 -4.397 -3.324 1.00 0.00 H new ATOM 406 N GLN A 313 4.961 -7.436 -5.101 1.00 0.00 N ATOM 407 CA GLN A 313 3.636 -7.760 -5.696 1.00 0.00 C ATOM 408 C GLN A 313 2.523 -7.229 -4.767 1.00 0.00 C ATOM 409 O GLN A 313 2.398 -7.682 -3.647 1.00 0.00 O ATOM 410 CB GLN A 313 3.501 -9.287 -5.843 1.00 0.00 C ATOM 411 CG GLN A 313 4.167 -9.997 -4.650 1.00 0.00 C ATOM 412 CD GLN A 313 5.668 -10.168 -4.910 1.00 0.00 C ATOM 413 OE1 GLN A 313 6.246 -9.440 -5.695 1.00 0.00 O ATOM 414 NE2 GLN A 313 6.327 -11.104 -4.282 1.00 0.00 N ATOM 0 H GLN A 313 5.463 -8.231 -4.705 1.00 0.00 H new ATOM 0 HA GLN A 313 3.547 -7.294 -6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 313 2.448 -9.563 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 313 3.965 -9.612 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.011 -9.418 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 313 3.704 -10.971 -4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 313 5.843 -11.715 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 313 7.326 -11.225 -4.450 1.00 0.00 H new ATOM 423 N PRO A 314 1.721 -6.271 -5.204 1.00 0.00 N ATOM 424 CA PRO A 314 0.630 -5.705 -4.355 1.00 0.00 C ATOM 425 C PRO A 314 -0.631 -6.576 -4.358 1.00 0.00 C ATOM 426 O PRO A 314 -0.975 -7.190 -5.348 1.00 0.00 O ATOM 427 CB PRO A 314 0.351 -4.353 -5.008 1.00 0.00 C ATOM 428 CG PRO A 314 0.626 -4.574 -6.462 1.00 0.00 C ATOM 429 CD PRO A 314 1.749 -5.622 -6.533 1.00 0.00 C ATOM 0 HA PRO A 314 0.919 -5.640 -3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.679 -4.038 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.993 -3.574 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.267 -4.926 -6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.929 -3.646 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.572 -6.342 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.715 -5.158 -6.730 1.00 0.00 H new ATOM 437 N ARG A 315 -1.323 -6.628 -3.250 1.00 0.00 N ATOM 438 CA ARG A 315 -2.567 -7.450 -3.164 1.00 0.00 C ATOM 439 C ARG A 315 -3.551 -6.745 -2.219 1.00 0.00 C ATOM 440 O ARG A 315 -3.261 -6.546 -1.056 1.00 0.00 O ATOM 441 CB ARG A 315 -2.242 -8.877 -2.624 1.00 0.00 C ATOM 442 CG ARG A 315 -0.716 -9.122 -2.563 1.00 0.00 C ATOM 443 CD ARG A 315 -0.024 -8.146 -1.573 1.00 0.00 C ATOM 444 NE ARG A 315 0.843 -8.899 -0.601 1.00 0.00 N ATOM 445 CZ ARG A 315 0.376 -9.881 0.128 1.00 0.00 C ATOM 446 NH1 ARG A 315 -0.891 -10.185 0.095 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.182 -10.542 0.914 1.00 0.00 N ATOM 0 H ARG A 315 -1.077 -6.132 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.007 -7.554 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.672 -8.998 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.707 -9.625 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.523 -10.150 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.286 -8.999 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.581 -7.428 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.778 -7.576 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 315 1.824 -8.637 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -1.527 -9.656 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -1.247 -10.952 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.170 -10.292 0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 315 0.824 -11.308 1.484 1.00 0.00 H new ATOM 461 N LEU A 316 -4.710 -6.362 -2.696 1.00 0.00 N ATOM 462 CA LEU A 316 -5.682 -5.681 -1.806 1.00 0.00 C ATOM 463 C LEU A 316 -6.417 -6.734 -0.975 1.00 0.00 C ATOM 464 O LEU A 316 -7.093 -7.600 -1.494 1.00 0.00 O ATOM 465 CB LEU A 316 -6.681 -4.885 -2.663 1.00 0.00 C ATOM 466 CG LEU A 316 -7.209 -3.671 -1.888 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.041 -2.789 -2.818 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.082 -4.146 -0.733 1.00 0.00 C ATOM 0 H LEU A 316 -5.018 -6.494 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.164 -4.994 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.197 -4.554 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.512 -5.528 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.367 -3.098 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.415 -1.928 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.421 -2.447 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.882 -3.363 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.457 -3.284 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.922 -4.720 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.492 -4.774 -0.066 1.00 0.00 H new ATOM 480 N LEU A 317 -6.290 -6.648 0.315 1.00 0.00 N ATOM 481 CA LEU A 317 -6.974 -7.621 1.221 1.00 0.00 C ATOM 482 C LEU A 317 -8.333 -7.029 1.602 1.00 0.00 C ATOM 483 O LEU A 317 -8.831 -6.196 0.886 1.00 0.00 O ATOM 484 CB LEU A 317 -6.110 -7.841 2.474 1.00 0.00 C ATOM 485 CG LEU A 317 -4.944 -8.792 2.161 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.463 -10.213 1.859 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.160 -8.256 0.958 1.00 0.00 C ATOM 0 H LEU A 317 -5.735 -5.937 0.792 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.115 -8.583 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -5.723 -6.886 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.720 -8.256 3.276 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.290 -8.845 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.621 -10.869 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -6.005 -10.594 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -6.131 -10.181 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.332 -8.929 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.820 -8.192 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.769 -7.265 1.190 1.00 0.00 H new ATOM 499 N TYR A 318 -8.922 -7.459 2.712 1.00 0.00 N ATOM 500 CA TYR A 318 -10.270 -6.939 3.187 1.00 0.00 C ATOM 501 C TYR A 318 -10.676 -5.655 2.426 1.00 0.00 C ATOM 502 O TYR A 318 -9.827 -4.864 2.109 1.00 0.00 O ATOM 503 CB TYR A 318 -10.144 -6.626 4.696 1.00 0.00 C ATOM 504 CG TYR A 318 -11.438 -6.911 5.425 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.788 -8.229 5.741 1.00 0.00 C ATOM 506 CD2 TYR A 318 -12.288 -5.854 5.782 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.986 -8.492 6.415 1.00 0.00 C ATOM 508 CE2 TYR A 318 -13.486 -6.118 6.456 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.835 -7.437 6.773 1.00 0.00 C ATOM 510 OH TYR A 318 -15.016 -7.696 7.438 1.00 0.00 O ATOM 0 H TYR A 318 -8.515 -8.166 3.324 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.037 -7.690 3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.341 -7.224 5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.871 -5.580 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -11.134 -9.043 5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -12.018 -4.837 5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -13.256 -9.509 6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -14.141 -5.305 6.732 1.00 0.00 H new ATOM 0 HH TYR A 318 -15.485 -6.853 7.612 1.00 0.00 H new ATOM 520 N PRO A 319 -11.948 -5.448 2.129 1.00 0.00 N ATOM 521 CA PRO A 319 -12.433 -4.250 1.388 1.00 0.00 C ATOM 522 C PRO A 319 -11.520 -3.018 1.487 1.00 0.00 C ATOM 523 O PRO A 319 -11.545 -2.158 0.630 1.00 0.00 O ATOM 524 CB PRO A 319 -13.782 -4.004 2.045 1.00 0.00 C ATOM 525 CG PRO A 319 -14.320 -5.384 2.296 1.00 0.00 C ATOM 526 CD PRO A 319 -13.094 -6.317 2.454 1.00 0.00 C ATOM 0 HA PRO A 319 -12.468 -4.423 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.678 -3.441 2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.443 -3.429 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.938 -5.401 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.951 -5.710 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -13.021 -6.714 3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.152 -7.172 1.780 1.00 0.00 H new ATOM 534 N ALA A 320 -10.698 -2.928 2.500 1.00 0.00 N ATOM 535 CA ALA A 320 -9.779 -1.756 2.605 1.00 0.00 C ATOM 536 C ALA A 320 -8.469 -2.158 3.312 1.00 0.00 C ATOM 537 O ALA A 320 -7.821 -1.338 3.930 1.00 0.00 O ATOM 538 CB ALA A 320 -10.485 -0.641 3.384 1.00 0.00 C ATOM 0 H ALA A 320 -10.623 -3.610 3.254 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.526 -1.401 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.823 0.221 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.395 -0.350 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.741 -0.999 4.381 1.00 0.00 H new ATOM 544 N LYS A 321 -8.056 -3.406 3.205 1.00 0.00 N ATOM 545 CA LYS A 321 -6.770 -3.843 3.848 1.00 0.00 C ATOM 546 C LYS A 321 -5.744 -4.045 2.726 1.00 0.00 C ATOM 547 O LYS A 321 -5.982 -4.787 1.799 1.00 0.00 O ATOM 548 CB LYS A 321 -7.023 -5.151 4.616 1.00 0.00 C ATOM 549 CG LYS A 321 -5.722 -5.691 5.253 1.00 0.00 C ATOM 550 CD LYS A 321 -5.517 -5.089 6.659 1.00 0.00 C ATOM 551 CE LYS A 321 -6.291 -5.906 7.703 1.00 0.00 C ATOM 552 NZ LYS A 321 -6.331 -5.156 8.989 1.00 0.00 N ATOM 0 H LYS A 321 -8.555 -4.139 2.700 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.394 -3.103 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.767 -4.980 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -7.436 -5.899 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -5.767 -6.778 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -4.870 -5.446 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.456 -5.080 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.856 -4.053 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -7.304 -6.100 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.814 -6.875 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -7.065 -5.561 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.407 -5.226 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.549 -4.157 8.801 1.00 0.00 H new ATOM 566 N LEU A 322 -4.624 -3.355 2.774 1.00 0.00 N ATOM 567 CA LEU A 322 -3.607 -3.468 1.666 1.00 0.00 C ATOM 568 C LEU A 322 -2.290 -4.071 2.172 1.00 0.00 C ATOM 569 O LEU A 322 -1.691 -3.587 3.112 1.00 0.00 O ATOM 570 CB LEU A 322 -3.381 -2.045 1.136 1.00 0.00 C ATOM 571 CG LEU A 322 -2.471 -2.002 -0.108 1.00 0.00 C ATOM 572 CD1 LEU A 322 -1.020 -2.360 0.254 1.00 0.00 C ATOM 573 CD2 LEU A 322 -2.994 -2.955 -1.196 1.00 0.00 C ATOM 0 H LEU A 322 -4.368 -2.719 3.530 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.969 -4.132 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -4.344 -1.598 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.938 -1.436 1.924 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.486 -0.983 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.401 -2.322 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.641 -1.648 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.987 -3.365 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.338 -2.910 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.013 -3.974 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.002 -2.658 -1.486 1.00 0.00 H new ATOM 585 N SER A 323 -1.834 -5.131 1.531 1.00 0.00 N ATOM 586 CA SER A 323 -0.552 -5.798 1.937 1.00 0.00 C ATOM 587 C SER A 323 0.509 -5.622 0.844 1.00 0.00 C ATOM 588 O SER A 323 0.202 -5.466 -0.322 1.00 0.00 O ATOM 589 CB SER A 323 -0.802 -7.291 2.160 1.00 0.00 C ATOM 590 OG SER A 323 0.398 -7.904 2.617 1.00 0.00 O ATOM 0 H SER A 323 -2.304 -5.564 0.736 1.00 0.00 H new ATOM 0 HA SER A 323 -0.194 -5.340 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.598 -7.433 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.133 -7.759 1.233 1.00 0.00 H new ATOM 0 HG SER A 323 0.242 -8.860 2.763 1.00 0.00 H new ATOM 596 N ILE A 324 1.761 -5.647 1.229 1.00 0.00 N ATOM 597 CA ILE A 324 2.874 -5.479 0.245 1.00 0.00 C ATOM 598 C ILE A 324 4.048 -6.386 0.629 1.00 0.00 C ATOM 599 O ILE A 324 4.245 -6.722 1.780 1.00 0.00 O ATOM 600 CB ILE A 324 3.344 -4.018 0.242 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.335 -3.448 1.687 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.420 -3.193 -0.655 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.574 -2.576 1.904 1.00 0.00 C ATOM 0 H ILE A 324 2.062 -5.778 2.195 1.00 0.00 H new ATOM 0 HA ILE A 324 2.515 -5.750 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 324 4.363 -3.967 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 324 2.432 -2.861 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 324 3.321 -4.263 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.750 -2.154 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.450 -3.588 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.400 -3.248 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.565 -2.177 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.472 -3.177 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 324 4.569 -1.752 1.190 1.00 0.00 H new ATOM 615 N THR A 325 4.822 -6.788 -0.346 1.00 0.00 N ATOM 616 CA THR A 325 5.989 -7.681 -0.083 1.00 0.00 C ATOM 617 C THR A 325 7.265 -6.837 0.066 1.00 0.00 C ATOM 618 O THR A 325 7.585 -6.023 -0.778 1.00 0.00 O ATOM 619 CB THR A 325 6.129 -8.658 -1.263 1.00 0.00 C ATOM 620 OG1 THR A 325 5.111 -9.646 -1.172 1.00 0.00 O ATOM 621 CG2 THR A 325 7.501 -9.341 -1.234 1.00 0.00 C ATOM 0 H THR A 325 4.693 -6.532 -1.325 1.00 0.00 H new ATOM 0 HA THR A 325 5.837 -8.240 0.840 1.00 0.00 H new ATOM 0 HB THR A 325 6.032 -8.103 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.194 -10.271 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.583 -10.029 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.285 -8.587 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.612 -9.894 -0.301 1.00 0.00 H new ATOM 629 N ILE A 326 7.993 -7.031 1.141 1.00 0.00 N ATOM 630 CA ILE A 326 9.255 -6.254 1.373 1.00 0.00 C ATOM 631 C ILE A 326 10.357 -7.217 1.817 1.00 0.00 C ATOM 632 O ILE A 326 10.265 -7.837 2.859 1.00 0.00 O ATOM 633 CB ILE A 326 9.037 -5.224 2.493 1.00 0.00 C ATOM 634 CG1 ILE A 326 7.874 -4.273 2.142 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.329 -4.427 2.715 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.343 -3.141 1.217 1.00 0.00 C ATOM 0 H ILE A 326 7.765 -7.701 1.875 1.00 0.00 H new ATOM 0 HA ILE A 326 9.535 -5.745 0.451 1.00 0.00 H new ATOM 0 HB ILE A 326 8.777 -5.751 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 326 7.075 -4.834 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.458 -3.850 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.174 -3.697 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.132 -5.107 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.600 -3.910 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.502 -2.487 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 326 9.125 -2.566 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.736 -3.565 0.293 1.00 0.00 H new ATOM 648 N ASP A 327 11.402 -7.342 1.040 1.00 0.00 N ATOM 649 CA ASP A 327 12.521 -8.262 1.413 1.00 0.00 C ATOM 650 C ASP A 327 11.963 -9.576 1.962 1.00 0.00 C ATOM 651 O ASP A 327 12.581 -10.238 2.773 1.00 0.00 O ATOM 652 CB ASP A 327 13.392 -7.593 2.480 1.00 0.00 C ATOM 653 CG ASP A 327 13.884 -6.240 1.963 1.00 0.00 C ATOM 654 OD1 ASP A 327 13.060 -5.473 1.494 1.00 0.00 O ATOM 655 OD2 ASP A 327 15.077 -5.996 2.044 1.00 0.00 O ATOM 0 H ASP A 327 11.530 -6.844 0.159 1.00 0.00 H new ATOM 0 HA ASP A 327 13.119 -8.474 0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.821 -7.457 3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 327 14.241 -8.231 2.724 1.00 0.00 H new ATOM 660 N GLY A 328 10.794 -9.958 1.522 1.00 0.00 N ATOM 661 CA GLY A 328 10.180 -11.232 2.008 1.00 0.00 C ATOM 662 C GLY A 328 9.196 -10.930 3.139 1.00 0.00 C ATOM 663 O GLY A 328 8.050 -11.333 3.101 1.00 0.00 O ATOM 0 H GLY A 328 10.234 -9.441 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.665 -11.735 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 328 10.957 -11.911 2.360 1.00 0.00 H new ATOM 667 N GLU A 329 9.632 -10.229 4.151 1.00 0.00 N ATOM 668 CA GLU A 329 8.718 -9.912 5.286 1.00 0.00 C ATOM 669 C GLU A 329 7.477 -9.190 4.753 1.00 0.00 C ATOM 670 O GLU A 329 7.566 -8.194 4.063 1.00 0.00 O ATOM 671 CB GLU A 329 9.455 -9.021 6.309 1.00 0.00 C ATOM 672 CG GLU A 329 10.096 -9.892 7.395 1.00 0.00 C ATOM 673 CD GLU A 329 11.161 -10.792 6.768 1.00 0.00 C ATOM 674 OE1 GLU A 329 11.863 -10.322 5.887 1.00 0.00 O ATOM 675 OE2 GLU A 329 11.257 -11.938 7.178 1.00 0.00 O ATOM 0 H GLU A 329 10.580 -9.863 4.241 1.00 0.00 H new ATOM 0 HA GLU A 329 8.409 -10.834 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.221 -8.431 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.756 -8.317 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 329 10.544 -9.262 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.335 -10.499 7.885 1.00 0.00 H new ATOM 682 N THR A 330 6.318 -9.696 5.078 1.00 0.00 N ATOM 683 CA THR A 330 5.051 -9.059 4.607 1.00 0.00 C ATOM 684 C THR A 330 4.583 -8.012 5.623 1.00 0.00 C ATOM 685 O THR A 330 4.639 -8.224 6.817 1.00 0.00 O ATOM 686 CB THR A 330 3.970 -10.131 4.448 1.00 0.00 C ATOM 687 OG1 THR A 330 4.384 -11.079 3.475 1.00 0.00 O ATOM 688 CG2 THR A 330 2.662 -9.476 4.001 1.00 0.00 C ATOM 0 H THR A 330 6.192 -10.529 5.653 1.00 0.00 H new ATOM 0 HA THR A 330 5.231 -8.573 3.648 1.00 0.00 H new ATOM 0 HB THR A 330 3.814 -10.635 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.693 -11.767 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 330 1.893 -10.240 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 330 2.345 -8.749 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 330 2.815 -8.971 3.047 1.00 0.00 H new ATOM 696 N LYS A 331 4.098 -6.890 5.147 1.00 0.00 N ATOM 697 CA LYS A 331 3.591 -5.816 6.058 1.00 0.00 C ATOM 698 C LYS A 331 2.220 -5.384 5.535 1.00 0.00 C ATOM 699 O LYS A 331 1.940 -5.519 4.359 1.00 0.00 O ATOM 700 CB LYS A 331 4.567 -4.633 6.045 1.00 0.00 C ATOM 701 CG LYS A 331 4.227 -3.639 7.168 1.00 0.00 C ATOM 702 CD LYS A 331 4.478 -4.268 8.552 1.00 0.00 C ATOM 703 CE LYS A 331 4.779 -3.170 9.578 1.00 0.00 C ATOM 704 NZ LYS A 331 4.868 -3.774 10.937 1.00 0.00 N ATOM 0 H LYS A 331 4.031 -6.671 4.153 1.00 0.00 H new ATOM 0 HA LYS A 331 3.507 -6.176 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.588 -4.995 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.523 -4.129 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.832 -2.739 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 331 3.184 -3.334 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.605 -4.840 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 331 5.314 -4.966 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.715 -2.670 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 331 3.997 -2.411 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 5.072 -3.030 11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 3.965 -4.232 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.629 -4.482 10.953 1.00 0.00 H new ATOM 718 N VAL A 332 1.342 -4.901 6.382 1.00 0.00 N ATOM 719 CA VAL A 332 -0.020 -4.510 5.894 1.00 0.00 C ATOM 720 C VAL A 332 -0.531 -3.261 6.612 1.00 0.00 C ATOM 721 O VAL A 332 -0.128 -2.950 7.715 1.00 0.00 O ATOM 722 CB VAL A 332 -0.973 -5.678 6.148 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.236 -5.509 5.312 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.290 -6.984 5.746 1.00 0.00 C ATOM 0 H VAL A 332 1.506 -4.762 7.379 1.00 0.00 H new ATOM 0 HA VAL A 332 0.034 -4.280 4.830 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.235 -5.700 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.910 -6.345 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.730 -4.576 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.972 -5.484 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -0.967 -7.819 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.031 -6.948 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.616 -7.118 6.337 1.00 0.00 H new ATOM 734 N PHE A 333 -1.424 -2.536 5.974 1.00 0.00 N ATOM 735 CA PHE A 333 -1.978 -1.294 6.589 1.00 0.00 C ATOM 736 C PHE A 333 -3.477 -1.189 6.308 1.00 0.00 C ATOM 737 O PHE A 333 -3.955 -1.583 5.263 1.00 0.00 O ATOM 738 CB PHE A 333 -1.269 -0.084 5.985 1.00 0.00 C ATOM 739 CG PHE A 333 0.210 -0.356 5.932 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.747 -1.084 4.866 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.045 0.118 6.948 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.120 -1.335 4.812 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.420 -0.133 6.897 1.00 0.00 C ATOM 744 CZ PHE A 333 2.957 -0.859 5.827 1.00 0.00 C ATOM 0 H PHE A 333 -1.792 -2.757 5.049 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.820 -1.326 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.651 0.115 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.467 0.805 6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.100 -1.453 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.628 0.678 7.772 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.535 -1.896 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.066 0.232 7.681 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.019 -1.052 5.785 1.00 0.00 H new ATOM 754 N HIS A 334 -4.221 -0.649 7.241 1.00 0.00 N ATOM 755 CA HIS A 334 -5.696 -0.495 7.056 1.00 0.00 C ATOM 756 C HIS A 334 -6.011 0.975 6.733 1.00 0.00 C ATOM 757 O HIS A 334 -7.016 1.284 6.126 1.00 0.00 O ATOM 758 CB HIS A 334 -6.405 -0.913 8.357 1.00 0.00 C ATOM 759 CG HIS A 334 -7.805 -1.387 8.060 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.582 -0.822 7.062 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.574 -2.375 8.622 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.762 -1.469 7.054 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.810 -2.425 7.985 1.00 0.00 N ATOM 0 H HIS A 334 -3.865 -0.305 8.133 1.00 0.00 H new ATOM 0 HA HIS A 334 -6.044 -1.123 6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.841 -1.707 8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.438 -0.071 9.048 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -8.310 -0.056 6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.267 -3.016 9.435 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.572 -1.242 6.377 1.00 0.00 H new ATOM 771 N ASP A 335 -5.151 1.879 7.146 1.00 0.00 N ATOM 772 CA ASP A 335 -5.378 3.341 6.880 1.00 0.00 C ATOM 773 C ASP A 335 -4.327 3.854 5.889 1.00 0.00 C ATOM 774 O ASP A 335 -3.225 3.350 5.822 1.00 0.00 O ATOM 775 CB ASP A 335 -5.254 4.114 8.195 1.00 0.00 C ATOM 776 CG ASP A 335 -5.534 5.597 7.943 1.00 0.00 C ATOM 777 OD1 ASP A 335 -6.644 5.911 7.546 1.00 0.00 O ATOM 778 OD2 ASP A 335 -4.634 6.394 8.153 1.00 0.00 O ATOM 0 H ASP A 335 -4.296 1.666 7.659 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.372 3.485 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -5.957 3.720 8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.255 3.987 8.611 1.00 0.00 H new ATOM 783 N LYS A 336 -4.665 4.854 5.115 1.00 0.00 N ATOM 784 CA LYS A 336 -3.693 5.400 4.120 1.00 0.00 C ATOM 785 C LYS A 336 -2.526 6.084 4.831 1.00 0.00 C ATOM 786 O LYS A 336 -1.402 6.037 4.372 1.00 0.00 O ATOM 787 CB LYS A 336 -4.403 6.414 3.220 1.00 0.00 C ATOM 788 CG LYS A 336 -4.889 7.593 4.064 1.00 0.00 C ATOM 789 CD LYS A 336 -5.849 8.448 3.235 1.00 0.00 C ATOM 790 CE LYS A 336 -6.367 9.606 4.089 1.00 0.00 C ATOM 791 NZ LYS A 336 -5.227 10.251 4.799 1.00 0.00 N ATOM 0 H LYS A 336 -5.574 5.317 5.129 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.305 4.577 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.724 6.765 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.246 5.941 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.390 7.230 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.041 8.193 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.340 8.833 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.683 7.840 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -6.877 10.336 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.098 9.241 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -5.517 11.190 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.943 9.661 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.424 10.353 4.146 1.00 0.00 H new ATOM 805 N THR A 337 -2.769 6.720 5.942 1.00 0.00 N ATOM 806 CA THR A 337 -1.649 7.397 6.653 1.00 0.00 C ATOM 807 C THR A 337 -0.648 6.354 7.126 1.00 0.00 C ATOM 808 O THR A 337 0.528 6.430 6.835 1.00 0.00 O ATOM 809 CB THR A 337 -2.179 8.156 7.868 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.223 9.032 7.463 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.039 8.965 8.496 1.00 0.00 C ATOM 0 H THR A 337 -3.684 6.801 6.385 1.00 0.00 H new ATOM 0 HA THR A 337 -1.169 8.097 5.969 1.00 0.00 H new ATOM 0 HB THR A 337 -2.569 7.449 8.600 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.082 8.563 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.413 9.508 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.242 8.290 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.650 9.673 7.765 1.00 0.00 H new ATOM 819 N LYS A 338 -1.101 5.383 7.870 1.00 0.00 N ATOM 820 CA LYS A 338 -0.173 4.343 8.379 1.00 0.00 C ATOM 821 C LYS A 338 0.725 3.859 7.232 1.00 0.00 C ATOM 822 O LYS A 338 1.921 3.720 7.390 1.00 0.00 O ATOM 823 CB LYS A 338 -1.005 3.186 8.954 1.00 0.00 C ATOM 824 CG LYS A 338 -0.264 2.503 10.111 1.00 0.00 C ATOM 825 CD LYS A 338 -1.241 1.583 10.835 1.00 0.00 C ATOM 826 CE LYS A 338 -0.537 0.906 12.013 1.00 0.00 C ATOM 827 NZ LYS A 338 0.612 0.101 11.508 1.00 0.00 N ATOM 0 H LYS A 338 -2.076 5.268 8.146 1.00 0.00 H new ATOM 0 HA LYS A 338 0.466 4.746 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -1.966 3.562 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.214 2.458 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.584 1.932 9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.134 3.249 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.098 2.155 11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.624 0.830 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -0.186 1.657 12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -1.237 0.265 12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.623 -0.824 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 0.514 -0.038 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 1.501 0.603 11.706 1.00 0.00 H new ATOM 841 N PHE A 339 0.165 3.630 6.072 1.00 0.00 N ATOM 842 CA PHE A 339 1.011 3.188 4.927 1.00 0.00 C ATOM 843 C PHE A 339 1.992 4.311 4.585 1.00 0.00 C ATOM 844 O PHE A 339 3.188 4.147 4.659 1.00 0.00 O ATOM 845 CB PHE A 339 0.139 2.881 3.703 1.00 0.00 C ATOM 846 CG PHE A 339 1.032 2.574 2.514 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.902 1.478 2.559 1.00 0.00 C ATOM 848 CD2 PHE A 339 0.998 3.388 1.372 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.733 1.192 1.468 1.00 0.00 C ATOM 850 CE2 PHE A 339 1.831 3.102 0.280 1.00 0.00 C ATOM 851 CZ PHE A 339 2.700 2.004 0.329 1.00 0.00 C ATOM 0 H PHE A 339 -0.830 3.729 5.871 1.00 0.00 H new ATOM 0 HA PHE A 339 1.551 2.282 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.514 2.033 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.505 3.731 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.933 0.851 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 339 0.330 4.236 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 339 3.400 0.344 1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 339 1.802 3.729 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.343 1.785 -0.511 1.00 0.00 H new ATOM 861 N THR A 340 1.489 5.454 4.209 1.00 0.00 N ATOM 862 CA THR A 340 2.394 6.592 3.860 1.00 0.00 C ATOM 863 C THR A 340 3.511 6.710 4.903 1.00 0.00 C ATOM 864 O THR A 340 4.650 6.984 4.577 1.00 0.00 O ATOM 865 CB THR A 340 1.590 7.894 3.818 1.00 0.00 C ATOM 866 OG1 THR A 340 0.570 7.787 2.833 1.00 0.00 O ATOM 867 CG2 THR A 340 2.519 9.058 3.471 1.00 0.00 C ATOM 0 H THR A 340 0.492 5.652 4.127 1.00 0.00 H new ATOM 0 HA THR A 340 2.837 6.408 2.881 1.00 0.00 H new ATOM 0 HB THR A 340 1.136 8.074 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.190 7.290 3.202 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.946 9.985 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.300 9.138 4.227 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.975 8.882 2.497 1.00 0.00 H new ATOM 875 N GLN A 341 3.201 6.489 6.150 1.00 0.00 N ATOM 876 CA GLN A 341 4.256 6.571 7.201 1.00 0.00 C ATOM 877 C GLN A 341 5.265 5.451 6.970 1.00 0.00 C ATOM 878 O GLN A 341 6.456 5.642 7.104 1.00 0.00 O ATOM 879 CB GLN A 341 3.620 6.418 8.585 1.00 0.00 C ATOM 880 CG GLN A 341 2.805 7.670 8.910 1.00 0.00 C ATOM 881 CD GLN A 341 2.237 7.557 10.326 1.00 0.00 C ATOM 882 OE1 GLN A 341 2.676 6.617 11.117 1.00 0.00 O flip ATOM 883 NE2 GLN A 341 1.385 8.331 10.716 1.00 0.00 N flip ATOM 0 H GLN A 341 2.267 6.256 6.487 1.00 0.00 H new ATOM 0 HA GLN A 341 4.757 7.537 7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.978 5.537 8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.393 6.268 9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 341 3.433 8.557 8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.995 7.786 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 341 1.042 9.066 10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 341 1.013 8.246 11.662 1.00 0.00 H new ATOM 892 N TYR A 342 4.798 4.286 6.611 1.00 0.00 N ATOM 893 CA TYR A 342 5.738 3.147 6.359 1.00 0.00 C ATOM 894 C TYR A 342 6.891 3.629 5.479 1.00 0.00 C ATOM 895 O TYR A 342 8.041 3.317 5.709 1.00 0.00 O ATOM 896 CB TYR A 342 5.002 2.011 5.640 1.00 0.00 C ATOM 897 CG TYR A 342 5.958 0.873 5.371 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.550 0.193 6.436 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.249 0.497 4.055 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.436 -0.862 6.189 1.00 0.00 C ATOM 901 CE2 TYR A 342 7.132 -0.556 3.804 1.00 0.00 C ATOM 902 CZ TYR A 342 7.728 -1.237 4.872 1.00 0.00 C ATOM 903 OH TYR A 342 8.601 -2.277 4.627 1.00 0.00 O ATOM 0 H TYR A 342 3.810 4.070 6.481 1.00 0.00 H new ATOM 0 HA TYR A 342 6.122 2.783 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.169 1.662 6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.581 2.374 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.324 0.481 7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.790 1.022 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 342 7.894 -1.387 7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.355 -0.844 2.787 1.00 0.00 H new ATOM 0 HH TYR A 342 8.556 -2.922 5.363 1.00 0.00 H new ATOM 913 N LEU A 343 6.585 4.386 4.468 1.00 0.00 N ATOM 914 CA LEU A 343 7.663 4.895 3.570 1.00 0.00 C ATOM 915 C LEU A 343 8.332 6.112 4.212 1.00 0.00 C ATOM 916 O LEU A 343 9.537 6.253 4.182 1.00 0.00 O ATOM 917 CB LEU A 343 7.087 5.311 2.204 1.00 0.00 C ATOM 918 CG LEU A 343 5.929 4.404 1.786 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.287 4.998 0.544 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.451 3.012 1.447 1.00 0.00 C ATOM 0 H LEU A 343 5.639 4.676 4.221 1.00 0.00 H new ATOM 0 HA LEU A 343 8.390 4.096 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.743 6.344 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.872 5.272 1.449 1.00 0.00 H new ATOM 0 HG LEU A 343 5.209 4.328 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.457 4.367 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.917 5.998 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.026 5.055 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.619 2.374 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.165 3.081 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.942 2.585 2.321 1.00 0.00 H new ATOM 932 N SER A 344 7.561 6.997 4.781 1.00 0.00 N ATOM 933 CA SER A 344 8.161 8.205 5.412 1.00 0.00 C ATOM 934 C SER A 344 9.330 7.779 6.294 1.00 0.00 C ATOM 935 O SER A 344 10.255 8.532 6.525 1.00 0.00 O ATOM 936 CB SER A 344 7.110 8.918 6.263 1.00 0.00 C ATOM 937 OG SER A 344 7.564 10.230 6.565 1.00 0.00 O ATOM 0 H SER A 344 6.544 6.936 4.836 1.00 0.00 H new ATOM 0 HA SER A 344 8.514 8.885 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.161 8.963 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.931 8.361 7.183 1.00 0.00 H new ATOM 0 HG SER A 344 6.892 10.691 7.109 1.00 0.00 H new ATOM 943 N THR A 345 9.297 6.563 6.782 1.00 0.00 N ATOM 944 CA THR A 345 10.407 6.060 7.645 1.00 0.00 C ATOM 945 C THR A 345 11.315 5.137 6.823 1.00 0.00 C ATOM 946 O THR A 345 12.292 4.615 7.323 1.00 0.00 O ATOM 947 CB THR A 345 9.822 5.314 8.853 1.00 0.00 C ATOM 948 OG1 THR A 345 10.876 4.945 9.733 1.00 0.00 O ATOM 949 CG2 THR A 345 9.073 4.060 8.402 1.00 0.00 C ATOM 0 H THR A 345 8.544 5.895 6.618 1.00 0.00 H new ATOM 0 HA THR A 345 11.001 6.898 8.010 1.00 0.00 H new ATOM 0 HB THR A 345 9.121 5.972 9.366 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.703 4.827 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.666 3.546 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.259 4.343 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.759 3.396 7.876 1.00 0.00 H new ATOM 957 N ASN A 346 11.006 4.936 5.560 1.00 0.00 N ATOM 958 CA ASN A 346 11.858 4.053 4.699 1.00 0.00 C ATOM 959 C ASN A 346 12.030 4.716 3.327 1.00 0.00 C ATOM 960 O ASN A 346 11.397 4.337 2.362 1.00 0.00 O ATOM 961 CB ASN A 346 11.182 2.690 4.532 1.00 0.00 C ATOM 962 CG ASN A 346 11.970 1.848 3.526 1.00 0.00 C ATOM 963 OD1 ASN A 346 11.406 1.502 2.400 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 13.110 1.501 3.765 1.00 0.00 N flip ATOM 0 H ASN A 346 10.199 5.347 5.090 1.00 0.00 H new ATOM 0 HA ASN A 346 12.833 3.911 5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 346 11.133 2.177 5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 346 10.156 2.821 4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 346 13.551 1.771 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 346 13.625 0.940 3.086 1.00 0.00 H new ATOM 971 N PRO A 347 12.878 5.711 3.254 1.00 0.00 N ATOM 972 CA PRO A 347 13.147 6.469 1.993 1.00 0.00 C ATOM 973 C PRO A 347 13.469 5.554 0.805 1.00 0.00 C ATOM 974 O PRO A 347 13.425 5.968 -0.338 1.00 0.00 O ATOM 975 CB PRO A 347 14.360 7.343 2.348 1.00 0.00 C ATOM 976 CG PRO A 347 14.279 7.523 3.829 1.00 0.00 C ATOM 977 CD PRO A 347 13.681 6.226 4.375 1.00 0.00 C ATOM 0 HA PRO A 347 12.274 7.038 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.294 6.861 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.322 8.301 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.265 7.708 4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.655 8.379 4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.458 5.520 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 347 13.067 6.409 5.257 1.00 0.00 H new ATOM 985 N ALA A 348 13.801 4.322 1.063 1.00 0.00 N ATOM 986 CA ALA A 348 14.136 3.393 -0.053 1.00 0.00 C ATOM 987 C ALA A 348 12.960 3.303 -1.031 1.00 0.00 C ATOM 988 O ALA A 348 13.133 3.373 -2.233 1.00 0.00 O ATOM 989 CB ALA A 348 14.436 2.004 0.514 1.00 0.00 C ATOM 0 H ALA A 348 13.855 3.917 1.997 1.00 0.00 H new ATOM 0 HA ALA A 348 15.011 3.770 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.681 1.323 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.280 2.066 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.561 1.632 1.047 1.00 0.00 H new ATOM 995 N LEU A 349 11.765 3.141 -0.533 1.00 0.00 N ATOM 996 CA LEU A 349 10.598 3.037 -1.456 1.00 0.00 C ATOM 997 C LEU A 349 10.278 4.415 -2.046 1.00 0.00 C ATOM 998 O LEU A 349 10.195 4.572 -3.247 1.00 0.00 O ATOM 999 CB LEU A 349 9.374 2.505 -0.703 1.00 0.00 C ATOM 1000 CG LEU A 349 9.501 0.990 -0.467 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.308 0.519 0.371 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.521 0.216 -1.807 1.00 0.00 C ATOM 0 H LEU A 349 11.546 3.077 0.461 1.00 0.00 H new ATOM 0 HA LEU A 349 10.848 2.347 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.275 3.021 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.469 2.715 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 349 10.438 0.794 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.387 -0.554 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.306 1.043 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.382 0.733 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.612 -0.852 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.596 0.407 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.369 0.547 -2.406 1.00 0.00 H new ATOM 1014 N GLN A 350 10.092 5.410 -1.212 1.00 0.00 N ATOM 1015 CA GLN A 350 9.770 6.781 -1.724 1.00 0.00 C ATOM 1016 C GLN A 350 10.655 7.107 -2.936 1.00 0.00 C ATOM 1017 O GLN A 350 10.285 7.886 -3.793 1.00 0.00 O ATOM 1018 CB GLN A 350 10.010 7.813 -0.598 1.00 0.00 C ATOM 1019 CG GLN A 350 8.695 8.117 0.140 1.00 0.00 C ATOM 1020 CD GLN A 350 7.886 9.155 -0.644 1.00 0.00 C ATOM 1021 OE1 GLN A 350 7.992 9.201 -1.944 1.00 0.00 O flip ATOM 1022 NE2 GLN A 350 7.153 9.934 -0.067 1.00 0.00 N flip ATOM 0 H GLN A 350 10.149 5.332 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 350 8.726 6.820 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 350 10.749 7.428 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.419 8.732 -1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.114 7.202 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 350 8.908 8.490 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 350 7.070 9.899 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 350 6.621 10.623 -0.599 1.00 0.00 H new ATOM 1031 N ARG A 351 11.813 6.511 -3.021 1.00 0.00 N ATOM 1032 CA ARG A 351 12.705 6.780 -4.175 1.00 0.00 C ATOM 1033 C ARG A 351 12.259 5.905 -5.353 1.00 0.00 C ATOM 1034 O ARG A 351 12.363 6.294 -6.499 1.00 0.00 O ATOM 1035 CB ARG A 351 14.153 6.456 -3.755 1.00 0.00 C ATOM 1036 CG ARG A 351 15.026 6.179 -4.990 1.00 0.00 C ATOM 1037 CD ARG A 351 16.528 6.164 -4.619 1.00 0.00 C ATOM 1038 NE ARG A 351 17.316 6.862 -5.685 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.129 6.592 -6.949 1.00 0.00 C ATOM 1040 NH1 ARG A 351 16.361 5.601 -7.308 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.753 7.288 -7.861 1.00 0.00 N ATOM 0 H ARG A 351 12.177 5.848 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 351 12.654 7.825 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.568 7.290 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.161 5.588 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.747 5.221 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.843 6.942 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.681 6.656 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.876 5.137 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 351 18.010 7.560 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 351 15.901 5.030 -6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 351 16.220 5.397 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 351 18.384 8.040 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 351 17.609 7.079 -8.849 1.00 0.00 H new ATOM 1055 N ILE A 352 11.768 4.724 -5.078 1.00 0.00 N ATOM 1056 CA ILE A 352 11.322 3.823 -6.184 1.00 0.00 C ATOM 1057 C ILE A 352 9.850 4.086 -6.528 1.00 0.00 C ATOM 1058 O ILE A 352 9.520 4.423 -7.648 1.00 0.00 O ATOM 1059 CB ILE A 352 11.482 2.370 -5.742 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.951 2.097 -5.406 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.037 1.446 -6.875 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.082 0.726 -4.739 1.00 0.00 C ATOM 0 H ILE A 352 11.657 4.345 -4.138 1.00 0.00 H new ATOM 0 HA ILE A 352 11.932 4.017 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 352 10.869 2.187 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.554 2.129 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.332 2.873 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.150 0.408 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.992 1.641 -7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.652 1.629 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.129 0.535 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.493 0.710 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.718 -0.045 -5.418 1.00 0.00 H new ATOM 1074 N ILE A 353 8.962 3.928 -5.583 1.00 0.00 N ATOM 1075 CA ILE A 353 7.518 4.163 -5.873 1.00 0.00 C ATOM 1076 C ILE A 353 7.333 5.578 -6.424 1.00 0.00 C ATOM 1077 O ILE A 353 8.187 6.429 -6.278 1.00 0.00 O ATOM 1078 CB ILE A 353 6.709 3.996 -4.578 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.127 5.079 -3.542 1.00 0.00 C ATOM 1080 CG2 ILE A 353 6.968 2.595 -4.010 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.120 6.240 -3.540 1.00 0.00 C ATOM 0 H ILE A 353 9.173 3.647 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 353 7.168 3.443 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 353 5.647 4.116 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.183 4.637 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 353 8.122 5.454 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.399 2.465 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.659 1.845 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 353 8.031 2.479 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.428 6.988 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.085 6.693 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.131 5.863 -3.278 1.00 0.00 H new TER 1093 ILE A 353