USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 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 310 HIS : no HD1:sc= -6.91! C(o=-11!,f=-18!) USER MOD Set 1.2: A 312 CYS SG : rot -59:sc= -3.74! USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 293 THR OG1 : rot 161:sc= 0.742 USER MOD Single : A 294 MET CE :methyl -111:sc= 0 (180deg=-0.733) USER MOD Single : A 295 LYS NZ :NH3+ 161:sc= 0.697 (180deg=0.109) USER MOD Single : A 301 THR OG1 : rot 180:sc=0.000904 USER MOD Single : A 305 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -151:sc= -0.129 (180deg=-0.76) USER MOD Single : A 313 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 145:sc= -3.27 (180deg=-4.85!) USER MOD Single : A 323 SER OG : rot 180:sc= -0.6 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 334 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.73) USER MOD Single : A 336 LYS NZ :NH3+ 164:sc=-0.00889 (180deg=-0.362) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ 165:sc=-0.00826 (180deg=-0.222) USER MOD Single : A 340 THR OG1 : rot 79:sc= 0.0257 USER MOD Single : A 341 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.13) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.0108 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -36:sc= 0.449 USER MOD Single : A 346 ASN :FLIP amide:sc= -0.0293 F(o=-1.2,f=-0.029) USER MOD Single : A 350 GLN :FLIP amide:sc= -0.138 F(o=-1.5,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -20.254 2.357 2.340 1.00 0.00 N ATOM 2 CA PHE A 289 -18.860 1.920 2.051 1.00 0.00 C ATOM 3 C PHE A 289 -18.427 2.512 0.708 1.00 0.00 C ATOM 4 O PHE A 289 -17.458 2.086 0.112 1.00 0.00 O ATOM 5 CB PHE A 289 -18.815 0.383 1.969 1.00 0.00 C ATOM 6 CG PHE A 289 -18.537 -0.211 3.334 1.00 0.00 C ATOM 7 CD1 PHE A 289 -19.135 0.335 4.475 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.678 -1.311 3.452 1.00 0.00 C ATOM 9 CE1 PHE A 289 -18.875 -0.217 5.735 1.00 0.00 C ATOM 10 CE2 PHE A 289 -17.417 -1.863 4.712 1.00 0.00 C ATOM 11 CZ PHE A 289 -18.015 -1.316 5.853 1.00 0.00 C ATOM 0 HA PHE A 289 -18.191 2.261 2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.763 0.005 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -18.042 0.073 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -19.798 1.183 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.217 -1.733 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -19.337 0.204 6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.754 -2.711 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 289 -17.813 -1.742 6.825 1.00 0.00 H new ATOM 21 N SER A 290 -19.156 3.472 0.216 1.00 0.00 N ATOM 22 CA SER A 290 -18.815 4.083 -1.105 1.00 0.00 C ATOM 23 C SER A 290 -17.947 5.341 -0.943 1.00 0.00 C ATOM 24 O SER A 290 -17.071 5.591 -1.746 1.00 0.00 O ATOM 25 CB SER A 290 -20.114 4.438 -1.851 1.00 0.00 C ATOM 26 OG SER A 290 -21.143 3.547 -1.443 1.00 0.00 O ATOM 0 H SER A 290 -19.979 3.865 0.672 1.00 0.00 H new ATOM 0 HA SER A 290 -18.239 3.356 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.401 5.467 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.961 4.367 -2.928 1.00 0.00 H new ATOM 0 HG SER A 290 -21.974 3.769 -1.913 1.00 0.00 H new ATOM 32 N PRO A 291 -18.193 6.138 0.059 1.00 0.00 N ATOM 33 CA PRO A 291 -17.433 7.388 0.284 1.00 0.00 C ATOM 34 C PRO A 291 -16.194 7.206 1.172 1.00 0.00 C ATOM 35 O PRO A 291 -15.117 7.669 0.855 1.00 0.00 O ATOM 36 CB PRO A 291 -18.469 8.287 0.964 1.00 0.00 C ATOM 37 CG PRO A 291 -19.354 7.348 1.739 1.00 0.00 C ATOM 38 CD PRO A 291 -19.215 5.950 1.095 1.00 0.00 C ATOM 0 HA PRO A 291 -17.025 7.789 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.990 9.012 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -19.042 8.853 0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -19.059 7.319 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -20.391 7.684 1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.909 5.202 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -20.159 5.611 0.668 1.00 0.00 H new ATOM 46 N GLU A 292 -16.350 6.570 2.301 1.00 0.00 N ATOM 47 CA GLU A 292 -15.188 6.395 3.235 1.00 0.00 C ATOM 48 C GLU A 292 -14.401 5.112 2.938 1.00 0.00 C ATOM 49 O GLU A 292 -13.188 5.124 2.859 1.00 0.00 O ATOM 50 CB GLU A 292 -15.689 6.372 4.690 1.00 0.00 C ATOM 51 CG GLU A 292 -16.985 5.562 4.798 1.00 0.00 C ATOM 52 CD GLU A 292 -17.423 5.498 6.261 1.00 0.00 C ATOM 53 OE1 GLU A 292 -17.162 6.448 6.979 1.00 0.00 O ATOM 54 OE2 GLU A 292 -18.014 4.499 6.637 1.00 0.00 O ATOM 0 H GLU A 292 -17.228 6.163 2.622 1.00 0.00 H new ATOM 0 HA GLU A 292 -14.514 7.239 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.927 5.938 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.860 7.391 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -17.766 6.022 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -16.831 4.556 4.408 1.00 0.00 H new ATOM 61 N THR A 293 -15.072 4.006 2.822 1.00 0.00 N ATOM 62 CA THR A 293 -14.359 2.715 2.586 1.00 0.00 C ATOM 63 C THR A 293 -13.753 2.644 1.191 1.00 0.00 C ATOM 64 O THR A 293 -12.602 2.293 1.025 1.00 0.00 O ATOM 65 CB THR A 293 -15.354 1.562 2.729 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.875 1.541 4.051 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.666 0.226 2.423 1.00 0.00 C ATOM 0 H THR A 293 -16.088 3.935 2.880 1.00 0.00 H new ATOM 0 HA THR A 293 -13.555 2.644 3.318 1.00 0.00 H new ATOM 0 HB THR A 293 -16.169 1.709 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.710 1.027 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.385 -0.586 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 293 -14.281 0.240 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.842 0.073 3.120 1.00 0.00 H new ATOM 75 N MET A 294 -14.522 2.913 0.182 1.00 0.00 N ATOM 76 CA MET A 294 -13.980 2.784 -1.193 1.00 0.00 C ATOM 77 C MET A 294 -12.792 3.731 -1.389 1.00 0.00 C ATOM 78 O MET A 294 -11.861 3.420 -2.101 1.00 0.00 O ATOM 79 CB MET A 294 -15.090 3.074 -2.213 1.00 0.00 C ATOM 80 CG MET A 294 -14.867 2.221 -3.468 1.00 0.00 C ATOM 81 SD MET A 294 -16.147 2.595 -4.694 1.00 0.00 S ATOM 82 CE MET A 294 -17.475 1.559 -4.014 1.00 0.00 C ATOM 0 H MET A 294 -15.494 3.214 0.246 1.00 0.00 H new ATOM 0 HA MET A 294 -13.624 1.765 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 294 -16.065 2.853 -1.778 1.00 0.00 H new ATOM 0 HB3 MET A 294 -15.091 4.132 -2.475 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.880 2.421 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.895 1.162 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 294 -17.665 0.723 -4.687 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.176 1.178 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 294 -18.383 2.153 -3.909 1.00 0.00 H new ATOM 92 N LYS A 295 -12.799 4.872 -0.757 1.00 0.00 N ATOM 93 CA LYS A 295 -11.644 5.803 -0.911 1.00 0.00 C ATOM 94 C LYS A 295 -10.399 5.119 -0.349 1.00 0.00 C ATOM 95 O LYS A 295 -9.371 5.066 -0.993 1.00 0.00 O ATOM 96 CB LYS A 295 -11.934 7.112 -0.151 1.00 0.00 C ATOM 97 CG LYS A 295 -12.606 8.135 -1.082 1.00 0.00 C ATOM 98 CD LYS A 295 -13.795 7.498 -1.821 1.00 0.00 C ATOM 99 CE LYS A 295 -14.767 8.592 -2.279 1.00 0.00 C ATOM 100 NZ LYS A 295 -15.910 7.976 -3.009 1.00 0.00 N ATOM 0 H LYS A 295 -13.547 5.199 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 295 -11.483 6.045 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -12.580 6.909 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -11.005 7.525 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -12.949 8.992 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -11.880 8.509 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -13.439 6.931 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -14.308 6.794 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -15.132 9.151 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -14.251 9.303 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -16.706 8.645 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -15.618 7.746 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -16.205 7.106 -2.521 1.00 0.00 H new ATOM 114 N ALA A 296 -10.483 4.565 0.827 1.00 0.00 N ATOM 115 CA ALA A 296 -9.295 3.862 1.379 1.00 0.00 C ATOM 116 C ALA A 296 -8.900 2.782 0.372 1.00 0.00 C ATOM 117 O ALA A 296 -7.739 2.557 0.093 1.00 0.00 O ATOM 118 CB ALA A 296 -9.650 3.227 2.725 1.00 0.00 C ATOM 0 H ALA A 296 -11.311 4.568 1.423 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.469 4.555 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.777 2.713 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.966 4.004 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.461 2.512 2.587 1.00 0.00 H new ATOM 124 N ARG A 297 -9.883 2.135 -0.194 1.00 0.00 N ATOM 125 CA ARG A 297 -9.626 1.085 -1.213 1.00 0.00 C ATOM 126 C ARG A 297 -9.183 1.752 -2.519 1.00 0.00 C ATOM 127 O ARG A 297 -8.519 1.153 -3.341 1.00 0.00 O ATOM 128 CB ARG A 297 -10.926 0.318 -1.459 1.00 0.00 C ATOM 129 CG ARG A 297 -10.639 -0.965 -2.240 1.00 0.00 C ATOM 130 CD ARG A 297 -11.961 -1.556 -2.735 1.00 0.00 C ATOM 131 NE ARG A 297 -11.690 -2.719 -3.622 1.00 0.00 N ATOM 132 CZ ARG A 297 -12.655 -3.543 -3.918 1.00 0.00 C ATOM 133 NH1 ARG A 297 -13.848 -3.345 -3.429 1.00 0.00 N ATOM 134 NH2 ARG A 297 -12.431 -4.562 -4.701 1.00 0.00 N ATOM 0 H ARG A 297 -10.869 2.295 0.013 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.848 0.406 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.400 0.076 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.626 0.942 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -9.983 -0.753 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.120 -1.683 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.571 -1.868 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -12.529 -0.799 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 297 -10.753 -2.871 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.023 -2.548 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -14.606 -3.988 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -11.498 -4.716 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -13.189 -5.205 -4.931 1.00 0.00 H new ATOM 148 N ARG A 298 -9.558 2.988 -2.721 1.00 0.00 N ATOM 149 CA ARG A 298 -9.167 3.689 -3.976 1.00 0.00 C ATOM 150 C ARG A 298 -7.712 4.127 -3.866 1.00 0.00 C ATOM 151 O ARG A 298 -6.936 3.966 -4.787 1.00 0.00 O ATOM 152 CB ARG A 298 -10.070 4.910 -4.197 1.00 0.00 C ATOM 153 CG ARG A 298 -9.952 5.401 -5.653 1.00 0.00 C ATOM 154 CD ARG A 298 -10.874 4.586 -6.574 1.00 0.00 C ATOM 155 NE ARG A 298 -10.880 5.191 -7.934 1.00 0.00 N ATOM 156 CZ ARG A 298 -11.320 4.501 -8.951 1.00 0.00 C ATOM 157 NH1 ARG A 298 -11.738 3.276 -8.776 1.00 0.00 N ATOM 158 NH2 ARG A 298 -11.341 5.035 -10.142 1.00 0.00 N ATOM 0 H ARG A 298 -10.117 3.540 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.282 3.015 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -11.105 4.651 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.788 5.709 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -10.215 6.457 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -8.920 5.311 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -10.532 3.552 -6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -11.886 4.567 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 298 -10.541 6.143 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -11.720 2.859 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -12.082 2.736 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -11.014 5.991 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -11.685 4.496 -10.937 1.00 0.00 H new ATOM 172 N ALA A 299 -7.318 4.653 -2.738 1.00 0.00 N ATOM 173 CA ALA A 299 -5.894 5.062 -2.577 1.00 0.00 C ATOM 174 C ALA A 299 -5.034 3.859 -2.949 1.00 0.00 C ATOM 175 O ALA A 299 -4.078 3.960 -3.690 1.00 0.00 O ATOM 176 CB ALA A 299 -5.631 5.450 -1.121 1.00 0.00 C ATOM 0 H ALA A 299 -7.915 4.816 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.662 5.918 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.589 5.749 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -6.279 6.281 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.837 4.597 -0.474 1.00 0.00 H new ATOM 182 N TRP A 300 -5.412 2.714 -2.455 1.00 0.00 N ATOM 183 CA TRP A 300 -4.684 1.459 -2.771 1.00 0.00 C ATOM 184 C TRP A 300 -4.584 1.299 -4.291 1.00 0.00 C ATOM 185 O TRP A 300 -3.531 1.018 -4.822 1.00 0.00 O ATOM 186 CB TRP A 300 -5.469 0.288 -2.187 1.00 0.00 C ATOM 187 CG TRP A 300 -5.474 0.278 -0.669 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.272 -0.546 0.053 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.701 1.057 0.329 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.027 -0.366 1.395 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.078 0.600 1.624 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.719 2.082 0.272 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.514 1.119 2.786 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.157 2.602 1.450 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.549 2.117 2.701 1.00 0.00 C ATOM 0 H TRP A 300 -6.212 2.595 -1.833 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.680 1.487 -2.347 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.497 0.330 -2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.041 -0.647 -2.550 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -6.990 -1.238 -0.362 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.496 -0.889 2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.401 2.465 -0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.825 0.748 3.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.415 3.384 1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.103 2.517 3.600 1.00 0.00 H new ATOM 206 N THR A 301 -5.667 1.471 -4.996 1.00 0.00 N ATOM 207 CA THR A 301 -5.623 1.325 -6.482 1.00 0.00 C ATOM 208 C THR A 301 -4.423 2.097 -7.050 1.00 0.00 C ATOM 209 O THR A 301 -3.666 1.591 -7.855 1.00 0.00 O ATOM 210 CB THR A 301 -6.901 1.899 -7.084 1.00 0.00 C ATOM 211 OG1 THR A 301 -8.024 1.438 -6.344 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.026 1.457 -8.544 1.00 0.00 C ATOM 0 H THR A 301 -6.581 1.706 -4.610 1.00 0.00 H new ATOM 0 HA THR A 301 -5.530 0.268 -6.731 1.00 0.00 H new ATOM 0 HB THR A 301 -6.864 2.988 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 301 -8.845 1.809 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.940 1.869 -8.972 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.166 1.818 -9.108 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.061 0.369 -8.593 1.00 0.00 H new ATOM 220 N ASP A 302 -4.268 3.331 -6.652 1.00 0.00 N ATOM 221 CA ASP A 302 -3.145 4.164 -7.177 1.00 0.00 C ATOM 222 C ASP A 302 -1.794 3.529 -6.836 1.00 0.00 C ATOM 223 O ASP A 302 -0.982 3.273 -7.704 1.00 0.00 O ATOM 224 CB ASP A 302 -3.218 5.558 -6.551 1.00 0.00 C ATOM 225 CG ASP A 302 -2.136 6.451 -7.163 1.00 0.00 C ATOM 226 OD1 ASP A 302 -0.989 6.037 -7.166 1.00 0.00 O ATOM 227 OD2 ASP A 302 -2.474 7.532 -7.615 1.00 0.00 O ATOM 0 H ASP A 302 -4.875 3.802 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.236 4.232 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -4.203 5.993 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -3.081 5.491 -5.472 1.00 0.00 H new ATOM 232 N VAL A 303 -1.530 3.286 -5.585 1.00 0.00 N ATOM 233 CA VAL A 303 -0.219 2.689 -5.218 1.00 0.00 C ATOM 234 C VAL A 303 -0.173 1.227 -5.659 1.00 0.00 C ATOM 235 O VAL A 303 0.884 0.636 -5.758 1.00 0.00 O ATOM 236 CB VAL A 303 -0.028 2.774 -3.703 1.00 0.00 C ATOM 237 CG1 VAL A 303 0.223 4.231 -3.304 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.283 2.258 -2.995 1.00 0.00 C ATOM 0 H VAL A 303 -2.160 3.473 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 303 0.579 3.238 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 303 0.826 2.163 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 303 0.359 4.294 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 303 1.119 4.596 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -0.631 4.841 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.143 2.320 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.140 2.865 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.460 1.221 -3.279 1.00 0.00 H new ATOM 248 N ILE A 304 -1.302 0.634 -5.932 1.00 0.00 N ATOM 249 CA ILE A 304 -1.298 -0.792 -6.367 1.00 0.00 C ATOM 250 C ILE A 304 -0.558 -0.906 -7.707 1.00 0.00 C ATOM 251 O ILE A 304 0.191 -1.835 -7.929 1.00 0.00 O ATOM 252 CB ILE A 304 -2.760 -1.287 -6.480 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.212 -1.879 -5.135 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.906 -2.360 -7.569 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.731 -2.080 -5.131 1.00 0.00 C ATOM 0 H ILE A 304 -2.222 1.071 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.781 -1.417 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.382 -0.432 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.711 -2.831 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.923 -1.214 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.945 -2.686 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.606 -1.945 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.270 -3.212 -7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.040 -2.500 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.225 -1.121 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.010 -2.763 -5.933 1.00 0.00 H new ATOM 267 N GLN A 305 -0.751 0.027 -8.601 1.00 0.00 N ATOM 268 CA GLN A 305 -0.038 -0.057 -9.907 1.00 0.00 C ATOM 269 C GLN A 305 1.432 0.316 -9.689 1.00 0.00 C ATOM 270 O GLN A 305 2.321 -0.224 -10.316 1.00 0.00 O ATOM 271 CB GLN A 305 -0.705 0.885 -10.930 1.00 0.00 C ATOM 272 CG GLN A 305 -0.178 2.319 -10.778 1.00 0.00 C ATOM 273 CD GLN A 305 -1.133 3.296 -11.470 1.00 0.00 C ATOM 274 OE1 GLN A 305 -1.556 3.062 -12.585 1.00 0.00 O ATOM 275 NE2 GLN A 305 -1.492 4.386 -10.851 1.00 0.00 N ATOM 0 H GLN A 305 -1.364 0.834 -8.485 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.092 -1.071 -10.303 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -0.511 0.527 -11.941 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.786 0.874 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -0.085 2.573 -9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.818 2.399 -11.214 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -1.137 4.582 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -2.128 5.043 -11.303 1.00 0.00 H new ATOM 284 N THR A 306 1.687 1.232 -8.795 1.00 0.00 N ATOM 285 CA THR A 306 3.096 1.636 -8.521 1.00 0.00 C ATOM 286 C THR A 306 3.851 0.461 -7.899 1.00 0.00 C ATOM 287 O THR A 306 4.923 0.103 -8.332 1.00 0.00 O ATOM 288 CB THR A 306 3.104 2.808 -7.540 1.00 0.00 C ATOM 289 OG1 THR A 306 2.430 3.916 -8.118 1.00 0.00 O ATOM 290 CG2 THR A 306 4.545 3.199 -7.204 1.00 0.00 C ATOM 0 H THR A 306 0.981 1.718 -8.242 1.00 0.00 H new ATOM 0 HA THR A 306 3.577 1.930 -9.454 1.00 0.00 H new ATOM 0 HB THR A 306 2.594 2.511 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 306 2.434 4.666 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.542 4.035 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.056 2.349 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 306 5.065 3.492 -8.116 1.00 0.00 H new ATOM 298 N LEU A 307 3.299 -0.138 -6.879 1.00 0.00 N ATOM 299 CA LEU A 307 3.989 -1.287 -6.218 1.00 0.00 C ATOM 300 C LEU A 307 4.514 -2.256 -7.290 1.00 0.00 C ATOM 301 O LEU A 307 5.703 -2.467 -7.426 1.00 0.00 O ATOM 302 CB LEU A 307 2.978 -2.034 -5.311 1.00 0.00 C ATOM 303 CG LEU A 307 3.063 -1.590 -3.830 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.500 -1.723 -3.283 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.569 -0.141 -3.691 1.00 0.00 C ATOM 0 H LEU A 307 2.399 0.118 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 307 4.822 -0.917 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 307 1.967 -1.861 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.161 -3.107 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 307 2.423 -2.247 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.524 -1.403 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.820 -2.763 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.172 -1.097 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.631 0.166 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.191 0.515 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.534 -0.075 -4.028 1.00 0.00 H new ATOM 317 N ARG A 308 3.626 -2.862 -8.029 1.00 0.00 N ATOM 318 CA ARG A 308 4.048 -3.841 -9.073 1.00 0.00 C ATOM 319 C ARG A 308 4.990 -3.196 -10.092 1.00 0.00 C ATOM 320 O ARG A 308 5.487 -3.862 -10.978 1.00 0.00 O ATOM 321 CB ARG A 308 2.812 -4.386 -9.795 1.00 0.00 C ATOM 322 CG ARG A 308 2.002 -3.229 -10.387 1.00 0.00 C ATOM 323 CD ARG A 308 0.710 -3.774 -11.000 1.00 0.00 C ATOM 324 NE ARG A 308 1.014 -4.975 -11.847 1.00 0.00 N ATOM 325 CZ ARG A 308 1.849 -4.911 -12.851 1.00 0.00 C ATOM 326 NH1 ARG A 308 2.307 -3.760 -13.258 1.00 0.00 N ATOM 327 NH2 ARG A 308 2.183 -6.001 -13.487 1.00 0.00 N ATOM 0 H ARG A 308 2.619 -2.721 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 308 4.582 -4.654 -8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 308 3.115 -5.072 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.195 -4.955 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 308 1.770 -2.499 -9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 308 2.588 -2.712 -11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.008 -4.043 -10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 308 0.231 -3.004 -11.604 1.00 0.00 H new ATOM 0 HE ARG A 308 0.558 -5.862 -11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 308 2.014 -2.901 -12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 308 2.958 -3.719 -14.042 1.00 0.00 H new ATOM 0 HH21 ARG A 308 1.793 -6.899 -13.200 1.00 0.00 H new ATOM 0 HH22 ARG A 308 2.834 -5.955 -14.271 1.00 0.00 H new ATOM 341 N GLU A 309 5.243 -1.913 -10.004 1.00 0.00 N ATOM 342 CA GLU A 309 6.153 -1.289 -11.012 1.00 0.00 C ATOM 343 C GLU A 309 7.613 -1.616 -10.663 1.00 0.00 C ATOM 344 O GLU A 309 8.501 -1.419 -11.469 1.00 0.00 O ATOM 345 CB GLU A 309 5.897 0.247 -11.073 1.00 0.00 C ATOM 346 CG GLU A 309 6.933 1.050 -10.262 1.00 0.00 C ATOM 347 CD GLU A 309 6.564 2.535 -10.303 1.00 0.00 C ATOM 348 OE1 GLU A 309 5.556 2.857 -10.910 1.00 0.00 O ATOM 349 OE2 GLU A 309 7.297 3.324 -9.730 1.00 0.00 O ATOM 0 H GLU A 309 4.868 -1.283 -9.294 1.00 0.00 H new ATOM 0 HA GLU A 309 5.950 -1.697 -12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 309 5.920 0.575 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 309 4.898 0.461 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.958 0.698 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 309 7.931 0.900 -10.674 1.00 0.00 H new ATOM 356 N HIS A 310 7.869 -2.139 -9.483 1.00 0.00 N ATOM 357 CA HIS A 310 9.274 -2.508 -9.105 1.00 0.00 C ATOM 358 C HIS A 310 9.292 -3.915 -8.485 1.00 0.00 C ATOM 359 O HIS A 310 8.669 -4.823 -8.998 1.00 0.00 O ATOM 360 CB HIS A 310 9.865 -1.458 -8.152 1.00 0.00 C ATOM 361 CG HIS A 310 9.336 -1.617 -6.755 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.127 -2.111 -5.730 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.134 -1.292 -6.178 1.00 0.00 C ATOM 364 CE1 HIS A 310 9.403 -2.063 -4.602 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.179 -1.574 -4.818 1.00 0.00 N ATOM 0 H HIS A 310 7.167 -2.326 -8.767 1.00 0.00 H new ATOM 0 HA HIS A 310 9.899 -2.525 -9.998 1.00 0.00 H new ATOM 0 HB2 HIS A 310 10.951 -1.546 -8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 310 9.629 -0.459 -8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.283 -0.880 -6.701 1.00 0.00 H new ATOM 0 HE1 HIS A 310 9.766 -2.381 -3.636 1.00 0.00 H new ATOM 0 HE2 HIS A 310 7.437 -1.437 -4.132 1.00 0.00 H new ATOM 373 N LYS A 311 10.020 -4.118 -7.412 1.00 0.00 N ATOM 374 CA LYS A 311 10.098 -5.486 -6.792 1.00 0.00 C ATOM 375 C LYS A 311 9.211 -5.590 -5.550 1.00 0.00 C ATOM 376 O LYS A 311 9.696 -5.720 -4.445 1.00 0.00 O ATOM 377 CB LYS A 311 11.551 -5.767 -6.400 1.00 0.00 C ATOM 378 CG LYS A 311 12.141 -4.529 -5.707 1.00 0.00 C ATOM 379 CD LYS A 311 13.510 -4.866 -5.086 1.00 0.00 C ATOM 380 CE LYS A 311 13.328 -5.451 -3.678 1.00 0.00 C ATOM 381 NZ LYS A 311 12.784 -4.401 -2.771 1.00 0.00 N ATOM 0 H LYS A 311 10.564 -3.398 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 311 9.746 -6.217 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.599 -6.628 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 311 12.137 -6.016 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.250 -3.718 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.459 -4.178 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 311 14.038 -5.580 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 311 14.126 -3.968 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 311 12.651 -6.304 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 311 14.282 -5.816 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 13.103 -4.584 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 13.125 -3.467 -3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.745 -4.418 -2.804 1.00 0.00 H new ATOM 395 N CYS A 312 7.919 -5.579 -5.731 1.00 0.00 N ATOM 396 CA CYS A 312 6.992 -5.721 -4.572 1.00 0.00 C ATOM 397 C CYS A 312 5.597 -6.051 -5.099 1.00 0.00 C ATOM 398 O CYS A 312 4.902 -5.208 -5.629 1.00 0.00 O ATOM 399 CB CYS A 312 6.933 -4.423 -3.766 1.00 0.00 C ATOM 400 SG CYS A 312 8.325 -4.347 -2.614 1.00 0.00 S ATOM 0 H CYS A 312 7.463 -5.477 -6.637 1.00 0.00 H new ATOM 0 HA CYS A 312 7.353 -6.517 -3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.960 -3.566 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 312 5.993 -4.368 -3.217 1.00 0.00 H new ATOM 0 HG CYS A 312 8.277 -5.365 -1.807 1.00 0.00 H new ATOM 406 N GLN A 313 5.193 -7.275 -4.965 1.00 0.00 N ATOM 407 CA GLN A 313 3.849 -7.681 -5.462 1.00 0.00 C ATOM 408 C GLN A 313 2.743 -7.125 -4.535 1.00 0.00 C ATOM 409 O GLN A 313 2.675 -7.495 -3.380 1.00 0.00 O ATOM 410 CB GLN A 313 3.768 -9.210 -5.467 1.00 0.00 C ATOM 411 CG GLN A 313 4.817 -9.772 -6.428 1.00 0.00 C ATOM 412 CD GLN A 313 4.433 -9.419 -7.865 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.433 -9.886 -8.371 1.00 0.00 O ATOM 414 NE2 GLN A 313 5.193 -8.607 -8.550 1.00 0.00 N ATOM 0 H GLN A 313 5.736 -8.021 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 313 3.704 -7.285 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.935 -9.597 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.772 -9.531 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 313 5.799 -9.362 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 313 4.887 -10.854 -6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 313 6.033 -8.215 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 313 4.946 -8.365 -9.510 1.00 0.00 H new ATOM 423 N PRO A 314 1.867 -6.257 -5.023 1.00 0.00 N ATOM 424 CA PRO A 314 0.755 -5.694 -4.195 1.00 0.00 C ATOM 425 C PRO A 314 -0.467 -6.619 -4.153 1.00 0.00 C ATOM 426 O PRO A 314 -0.771 -7.310 -5.107 1.00 0.00 O ATOM 427 CB PRO A 314 0.405 -4.395 -4.916 1.00 0.00 C ATOM 428 CG PRO A 314 0.685 -4.678 -6.360 1.00 0.00 C ATOM 429 CD PRO A 314 1.833 -5.703 -6.393 1.00 0.00 C ATOM 0 HA PRO A 314 1.050 -5.560 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.639 -4.124 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.008 -3.564 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.201 -5.073 -6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.965 -3.766 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.649 -6.482 -7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.780 -5.231 -6.655 1.00 0.00 H new ATOM 437 N ARG A 315 -1.167 -6.636 -3.053 1.00 0.00 N ATOM 438 CA ARG A 315 -2.371 -7.509 -2.932 1.00 0.00 C ATOM 439 C ARG A 315 -3.398 -6.800 -2.046 1.00 0.00 C ATOM 440 O ARG A 315 -3.158 -6.577 -0.878 1.00 0.00 O ATOM 441 CB ARG A 315 -1.971 -8.837 -2.273 1.00 0.00 C ATOM 442 CG ARG A 315 -0.986 -9.618 -3.175 1.00 0.00 C ATOM 443 CD ARG A 315 0.473 -9.098 -3.028 1.00 0.00 C ATOM 444 NE ARG A 315 1.389 -10.183 -2.528 1.00 0.00 N ATOM 445 CZ ARG A 315 1.108 -10.907 -1.472 1.00 0.00 C ATOM 446 NH1 ARG A 315 0.019 -10.701 -0.790 1.00 0.00 N ATOM 447 NH2 ARG A 315 1.938 -11.841 -1.094 1.00 0.00 N ATOM 0 H ARG A 315 -0.956 -6.078 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 315 -2.793 -7.704 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -1.510 -8.644 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.860 -9.440 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.021 -10.677 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.299 -9.531 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.830 -8.732 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.494 -8.254 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 315 2.259 -10.361 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -0.630 -9.968 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -0.185 -11.273 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.797 -12.003 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 315 1.727 -12.409 -0.273 1.00 0.00 H new ATOM 461 N LEU A 316 -4.537 -6.428 -2.578 1.00 0.00 N ATOM 462 CA LEU A 316 -5.544 -5.731 -1.740 1.00 0.00 C ATOM 463 C LEU A 316 -6.277 -6.758 -0.877 1.00 0.00 C ATOM 464 O LEU A 316 -6.899 -7.678 -1.368 1.00 0.00 O ATOM 465 CB LEU A 316 -6.542 -4.994 -2.653 1.00 0.00 C ATOM 466 CG LEU A 316 -7.063 -3.718 -1.971 1.00 0.00 C ATOM 467 CD1 LEU A 316 -7.910 -2.911 -2.960 1.00 0.00 C ATOM 468 CD2 LEU A 316 -7.922 -4.097 -0.768 1.00 0.00 C ATOM 0 H LEU A 316 -4.806 -6.579 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.053 -5.006 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.059 -4.737 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.378 -5.652 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.215 -3.116 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.277 -2.008 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.301 -2.636 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.756 -3.514 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.291 -3.192 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.766 -4.701 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.323 -4.668 -0.059 1.00 0.00 H new ATOM 480 N LEU A 317 -6.212 -6.585 0.408 1.00 0.00 N ATOM 481 CA LEU A 317 -6.907 -7.517 1.348 1.00 0.00 C ATOM 482 C LEU A 317 -8.231 -6.856 1.742 1.00 0.00 C ATOM 483 O LEU A 317 -8.721 -6.040 1.001 1.00 0.00 O ATOM 484 CB LEU A 317 -6.028 -7.731 2.593 1.00 0.00 C ATOM 485 CG LEU A 317 -4.828 -8.642 2.275 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.302 -10.049 1.871 1.00 0.00 C ATOM 487 CD2 LEU A 317 -3.991 -8.028 1.146 1.00 0.00 C ATOM 0 H LEU A 317 -5.700 -5.827 0.860 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.089 -8.487 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -5.671 -6.769 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.624 -8.175 3.391 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.215 -8.730 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.437 -10.675 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -5.871 -10.490 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -5.934 -9.980 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.144 -8.678 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.607 -7.921 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.626 -7.048 1.455 1.00 0.00 H new ATOM 499 N TYR A 318 -8.788 -7.203 2.897 1.00 0.00 N ATOM 500 CA TYR A 318 -10.091 -6.605 3.405 1.00 0.00 C ATOM 501 C TYR A 318 -10.493 -5.352 2.592 1.00 0.00 C ATOM 502 O TYR A 318 -9.636 -4.627 2.163 1.00 0.00 O ATOM 503 CB TYR A 318 -9.861 -6.207 4.880 1.00 0.00 C ATOM 504 CG TYR A 318 -11.121 -6.369 5.702 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.544 -7.645 6.089 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.864 -5.241 6.076 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.710 -7.794 6.852 1.00 0.00 C ATOM 508 CE2 TYR A 318 -13.029 -5.391 6.839 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.451 -6.668 7.227 1.00 0.00 C ATOM 510 OH TYR A 318 -14.599 -6.816 7.979 1.00 0.00 O ATOM 0 H TYR A 318 -8.382 -7.895 3.526 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.896 -7.333 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.067 -6.822 5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.523 -5.172 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.972 -8.515 5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.538 -4.256 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -13.037 -8.779 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.601 -4.522 7.128 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.992 -5.935 8.153 1.00 0.00 H new ATOM 520 N PRO A 319 -11.775 -5.094 2.384 1.00 0.00 N ATOM 521 CA PRO A 319 -12.264 -3.920 1.611 1.00 0.00 C ATOM 522 C PRO A 319 -11.266 -2.758 1.502 1.00 0.00 C ATOM 523 O PRO A 319 -11.296 -2.007 0.550 1.00 0.00 O ATOM 524 CB PRO A 319 -13.504 -3.533 2.397 1.00 0.00 C ATOM 525 CG PRO A 319 -14.102 -4.854 2.801 1.00 0.00 C ATOM 526 CD PRO A 319 -12.935 -5.873 2.854 1.00 0.00 C ATOM 0 HA PRO A 319 -12.440 -4.162 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.253 -2.925 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.196 -2.950 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.592 -4.776 3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.860 -5.171 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.780 -6.254 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.125 -6.735 2.214 1.00 0.00 H new ATOM 534 N ALA A 320 -10.367 -2.610 2.441 1.00 0.00 N ATOM 535 CA ALA A 320 -9.365 -1.504 2.338 1.00 0.00 C ATOM 536 C ALA A 320 -8.029 -1.897 2.992 1.00 0.00 C ATOM 537 O ALA A 320 -7.281 -1.036 3.409 1.00 0.00 O ATOM 538 CB ALA A 320 -9.905 -0.257 3.026 1.00 0.00 C ATOM 0 H ALA A 320 -10.282 -3.201 3.268 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.191 -1.307 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.173 0.547 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -10.833 0.051 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.096 -0.475 4.077 1.00 0.00 H new ATOM 544 N LYS A 321 -7.699 -3.171 3.074 1.00 0.00 N ATOM 545 CA LYS A 321 -6.384 -3.563 3.691 1.00 0.00 C ATOM 546 C LYS A 321 -5.386 -3.829 2.559 1.00 0.00 C ATOM 547 O LYS A 321 -5.646 -4.617 1.677 1.00 0.00 O ATOM 548 CB LYS A 321 -6.570 -4.822 4.548 1.00 0.00 C ATOM 549 CG LYS A 321 -7.174 -4.444 5.917 1.00 0.00 C ATOM 550 CD LYS A 321 -6.062 -4.022 6.906 1.00 0.00 C ATOM 551 CE LYS A 321 -5.540 -5.240 7.686 1.00 0.00 C ATOM 552 NZ LYS A 321 -4.742 -6.112 6.781 1.00 0.00 N ATOM 0 H LYS A 321 -8.275 -3.946 2.745 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.010 -2.765 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.224 -5.528 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.611 -5.321 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.887 -3.628 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.727 -5.291 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -5.242 -3.554 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.450 -3.277 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -4.926 -4.911 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -6.376 -5.801 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -3.956 -6.537 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.349 -6.865 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -4.363 -5.544 5.997 1.00 0.00 H new ATOM 566 N LEU A 322 -4.263 -3.145 2.556 1.00 0.00 N ATOM 567 CA LEU A 322 -3.260 -3.321 1.446 1.00 0.00 C ATOM 568 C LEU A 322 -1.975 -3.964 1.974 1.00 0.00 C ATOM 569 O LEU A 322 -1.370 -3.491 2.915 1.00 0.00 O ATOM 570 CB LEU A 322 -2.960 -1.924 0.877 1.00 0.00 C ATOM 571 CG LEU A 322 -2.034 -1.969 -0.359 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.600 -2.371 0.034 1.00 0.00 C ATOM 573 CD2 LEU A 322 -2.588 -2.944 -1.415 1.00 0.00 C ATOM 0 H LEU A 322 -3.995 -2.471 3.274 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.660 -3.978 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.897 -1.438 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.496 -1.313 1.651 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.002 -0.967 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.028 -2.394 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.200 -1.645 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.612 -3.359 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -1.922 -2.962 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -2.655 -3.944 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -3.579 -2.616 -1.728 1.00 0.00 H new ATOM 585 N SER A 323 -1.556 -5.045 1.356 1.00 0.00 N ATOM 586 CA SER A 323 -0.307 -5.748 1.789 1.00 0.00 C ATOM 587 C SER A 323 0.766 -5.606 0.711 1.00 0.00 C ATOM 588 O SER A 323 0.477 -5.546 -0.467 1.00 0.00 O ATOM 589 CB SER A 323 -0.602 -7.234 1.996 1.00 0.00 C ATOM 590 OG SER A 323 -0.750 -7.863 0.732 1.00 0.00 O ATOM 0 H SER A 323 -2.032 -5.473 0.562 1.00 0.00 H new ATOM 0 HA SER A 323 0.045 -5.304 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 323 0.207 -7.703 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.511 -7.358 2.585 1.00 0.00 H new ATOM 0 HG SER A 323 -0.938 -8.816 0.861 1.00 0.00 H new ATOM 596 N ILE A 324 2.010 -5.566 1.114 1.00 0.00 N ATOM 597 CA ILE A 324 3.128 -5.442 0.136 1.00 0.00 C ATOM 598 C ILE A 324 4.281 -6.371 0.554 1.00 0.00 C ATOM 599 O ILE A 324 4.462 -6.686 1.710 1.00 0.00 O ATOM 600 CB ILE A 324 3.595 -3.984 0.057 1.00 0.00 C ATOM 601 CG1 ILE A 324 4.392 -3.576 1.302 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.386 -3.063 -0.097 1.00 0.00 C ATOM 603 CD1 ILE A 324 3.605 -3.871 2.575 1.00 0.00 C ATOM 0 H ILE A 324 2.300 -5.615 2.091 1.00 0.00 H new ATOM 0 HA ILE A 324 2.784 -5.740 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 324 4.250 -3.891 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 324 5.340 -4.113 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 324 4.629 -2.513 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.722 -2.028 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 324 1.847 -3.319 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.725 -3.184 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.192 -3.572 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 324 2.669 -3.313 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 324 3.391 -4.938 2.631 1.00 0.00 H new ATOM 615 N THR A 325 5.033 -6.852 -0.398 1.00 0.00 N ATOM 616 CA THR A 325 6.150 -7.802 -0.086 1.00 0.00 C ATOM 617 C THR A 325 7.507 -7.080 -0.076 1.00 0.00 C ATOM 618 O THR A 325 7.907 -6.486 -1.055 1.00 0.00 O ATOM 619 CB THR A 325 6.167 -8.898 -1.160 1.00 0.00 C ATOM 620 OG1 THR A 325 4.988 -9.682 -1.046 1.00 0.00 O ATOM 621 CG2 THR A 325 7.396 -9.793 -0.974 1.00 0.00 C ATOM 0 H THR A 325 4.924 -6.629 -1.387 1.00 0.00 H new ATOM 0 HA THR A 325 5.987 -8.229 0.903 1.00 0.00 H new ATOM 0 HB THR A 325 6.209 -8.436 -2.146 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.993 -10.383 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.401 -10.568 -1.740 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.301 -9.191 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.362 -10.257 0.012 1.00 0.00 H new ATOM 629 N ILE A 326 8.230 -7.152 1.018 1.00 0.00 N ATOM 630 CA ILE A 326 9.578 -6.499 1.089 1.00 0.00 C ATOM 631 C ILE A 326 10.515 -7.378 1.922 1.00 0.00 C ATOM 632 O ILE A 326 10.121 -7.944 2.923 1.00 0.00 O ATOM 633 CB ILE A 326 9.464 -5.120 1.752 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.186 -4.437 1.274 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.679 -4.266 1.372 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.109 -3.027 1.858 1.00 0.00 C ATOM 0 H ILE A 326 7.943 -7.637 1.868 1.00 0.00 H new ATOM 0 HA ILE A 326 9.971 -6.379 0.079 1.00 0.00 H new ATOM 0 HB ILE A 326 9.432 -5.236 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.171 -4.392 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.315 -5.017 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.597 -3.287 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.590 -4.758 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.715 -4.146 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.196 -2.541 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 326 8.104 -3.084 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 326 8.973 -2.449 1.529 1.00 0.00 H new ATOM 648 N ASP A 327 11.754 -7.493 1.521 1.00 0.00 N ATOM 649 CA ASP A 327 12.720 -8.332 2.290 1.00 0.00 C ATOM 650 C ASP A 327 12.065 -9.659 2.676 1.00 0.00 C ATOM 651 O ASP A 327 12.441 -10.293 3.643 1.00 0.00 O ATOM 652 CB ASP A 327 13.148 -7.585 3.556 1.00 0.00 C ATOM 653 CG ASP A 327 14.380 -8.262 4.161 1.00 0.00 C ATOM 654 OD1 ASP A 327 14.701 -9.358 3.732 1.00 0.00 O ATOM 655 OD2 ASP A 327 14.983 -7.672 5.042 1.00 0.00 O ATOM 0 H ASP A 327 12.139 -7.041 0.692 1.00 0.00 H new ATOM 0 HA ASP A 327 13.594 -8.532 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 327 13.372 -6.545 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 327 12.333 -7.578 4.279 1.00 0.00 H new ATOM 660 N GLY A 328 11.091 -10.085 1.921 1.00 0.00 N ATOM 661 CA GLY A 328 10.405 -11.375 2.230 1.00 0.00 C ATOM 662 C GLY A 328 9.249 -11.138 3.207 1.00 0.00 C ATOM 663 O GLY A 328 8.117 -11.489 2.938 1.00 0.00 O ATOM 0 H GLY A 328 10.738 -9.595 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 328 10.028 -11.824 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.116 -12.080 2.661 1.00 0.00 H new ATOM 667 N GLU A 329 9.524 -10.556 4.344 1.00 0.00 N ATOM 668 CA GLU A 329 8.436 -10.314 5.337 1.00 0.00 C ATOM 669 C GLU A 329 7.402 -9.350 4.748 1.00 0.00 C ATOM 670 O GLU A 329 7.721 -8.260 4.318 1.00 0.00 O ATOM 671 CB GLU A 329 9.041 -9.728 6.629 1.00 0.00 C ATOM 672 CG GLU A 329 9.329 -10.855 7.625 1.00 0.00 C ATOM 673 CD GLU A 329 10.086 -10.295 8.830 1.00 0.00 C ATOM 674 OE1 GLU A 329 9.525 -9.460 9.520 1.00 0.00 O ATOM 675 OE2 GLU A 329 11.214 -10.710 9.042 1.00 0.00 O ATOM 0 H GLU A 329 10.451 -10.239 4.628 1.00 0.00 H new ATOM 0 HA GLU A 329 7.940 -11.256 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 329 9.961 -9.190 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.352 -9.008 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.395 -11.313 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.917 -11.637 7.145 1.00 0.00 H new ATOM 682 N THR A 330 6.164 -9.756 4.735 1.00 0.00 N ATOM 683 CA THR A 330 5.085 -8.889 4.185 1.00 0.00 C ATOM 684 C THR A 330 4.534 -7.977 5.287 1.00 0.00 C ATOM 685 O THR A 330 4.502 -8.343 6.445 1.00 0.00 O ATOM 686 CB THR A 330 3.959 -9.774 3.649 1.00 0.00 C ATOM 687 OG1 THR A 330 2.791 -8.987 3.459 1.00 0.00 O ATOM 688 CG2 THR A 330 3.666 -10.893 4.651 1.00 0.00 C ATOM 0 H THR A 330 5.850 -10.661 5.086 1.00 0.00 H new ATOM 0 HA THR A 330 5.489 -8.273 3.382 1.00 0.00 H new ATOM 0 HB THR A 330 4.261 -10.212 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 330 2.068 -9.552 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.863 -11.523 4.268 1.00 0.00 H new ATOM 0 HG22 THR A 330 4.563 -11.496 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.363 -10.458 5.604 1.00 0.00 H new ATOM 696 N LYS A 331 4.086 -6.798 4.927 1.00 0.00 N ATOM 697 CA LYS A 331 3.513 -5.847 5.931 1.00 0.00 C ATOM 698 C LYS A 331 2.146 -5.391 5.404 1.00 0.00 C ATOM 699 O LYS A 331 1.888 -5.453 4.218 1.00 0.00 O ATOM 700 CB LYS A 331 4.473 -4.639 6.094 1.00 0.00 C ATOM 701 CG LYS A 331 4.798 -4.397 7.577 1.00 0.00 C ATOM 702 CD LYS A 331 3.547 -3.899 8.313 1.00 0.00 C ATOM 703 CE LYS A 331 3.955 -3.255 9.641 1.00 0.00 C ATOM 704 NZ LYS A 331 2.757 -3.127 10.519 1.00 0.00 N ATOM 0 H LYS A 331 4.093 -6.450 3.968 1.00 0.00 H new ATOM 0 HA LYS A 331 3.394 -6.319 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.394 -4.823 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.017 -3.746 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.156 -5.319 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.599 -3.664 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.013 -3.177 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 331 2.865 -4.729 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.716 -3.861 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 331 4.395 -2.274 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 3.033 -2.690 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 2.045 -2.532 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 2.357 -4.070 10.699 1.00 0.00 H new ATOM 718 N VAL A 332 1.259 -4.954 6.263 1.00 0.00 N ATOM 719 CA VAL A 332 -0.092 -4.524 5.781 1.00 0.00 C ATOM 720 C VAL A 332 -0.574 -3.300 6.559 1.00 0.00 C ATOM 721 O VAL A 332 -0.154 -3.055 7.673 1.00 0.00 O ATOM 722 CB VAL A 332 -1.071 -5.689 5.974 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.245 -5.541 5.009 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.354 -7.004 5.677 1.00 0.00 C ATOM 0 H VAL A 332 1.409 -4.876 7.269 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.035 -4.253 4.727 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.436 -5.684 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.938 -6.370 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.760 -4.601 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.876 -5.546 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.046 -7.835 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 332 0.007 -6.997 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.490 -7.120 6.357 1.00 0.00 H new ATOM 734 N PHE A 333 -1.450 -2.520 5.968 1.00 0.00 N ATOM 735 CA PHE A 333 -1.963 -1.296 6.656 1.00 0.00 C ATOM 736 C PHE A 333 -3.462 -1.135 6.402 1.00 0.00 C ATOM 737 O PHE A 333 -3.985 -1.569 5.394 1.00 0.00 O ATOM 738 CB PHE A 333 -1.210 -0.082 6.122 1.00 0.00 C ATOM 739 CG PHE A 333 0.248 -0.440 5.979 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.115 -0.306 7.068 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.730 -0.917 4.756 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.467 -0.645 6.934 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.079 -1.258 4.621 1.00 0.00 C ATOM 744 CZ PHE A 333 2.949 -1.122 5.710 1.00 0.00 C ATOM 0 H PHE A 333 -1.831 -2.681 5.036 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.805 -1.387 7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.620 0.223 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.327 0.763 6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.741 0.059 8.013 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.060 -1.022 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 333 3.137 -0.538 7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.451 -1.627 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 333 3.991 -1.385 5.605 1.00 0.00 H new ATOM 754 N HIS A 334 -4.159 -0.516 7.324 1.00 0.00 N ATOM 755 CA HIS A 334 -5.635 -0.318 7.171 1.00 0.00 C ATOM 756 C HIS A 334 -5.931 1.136 6.772 1.00 0.00 C ATOM 757 O HIS A 334 -6.884 1.409 6.068 1.00 0.00 O ATOM 758 CB HIS A 334 -6.318 -0.629 8.512 1.00 0.00 C ATOM 759 CG HIS A 334 -7.784 -0.909 8.298 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.334 -1.060 7.033 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.823 -1.069 9.180 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.649 -1.298 7.190 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.999 -1.315 8.479 1.00 0.00 N ATOM 0 H HIS A 334 -3.764 -0.136 8.184 1.00 0.00 H new ATOM 0 HA HIS A 334 -6.014 -0.982 6.394 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.841 -1.490 8.980 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.197 0.213 9.194 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.740 -1.012 10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.338 -1.456 6.373 1.00 0.00 H new ATOM 0 HE2 HIS A 334 -10.929 -1.474 8.866 1.00 0.00 H new ATOM 771 N ASP A 335 -5.132 2.072 7.232 1.00 0.00 N ATOM 772 CA ASP A 335 -5.371 3.517 6.899 1.00 0.00 C ATOM 773 C ASP A 335 -4.339 4.004 5.875 1.00 0.00 C ATOM 774 O ASP A 335 -3.268 3.446 5.741 1.00 0.00 O ATOM 775 CB ASP A 335 -5.245 4.352 8.174 1.00 0.00 C ATOM 776 CG ASP A 335 -6.455 4.101 9.075 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.519 4.609 8.761 1.00 0.00 O ATOM 778 OD2 ASP A 335 -6.298 3.405 10.066 1.00 0.00 O ATOM 0 H ASP A 335 -4.321 1.897 7.826 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.370 3.624 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.327 4.093 8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -5.180 5.411 7.922 1.00 0.00 H new ATOM 783 N LYS A 336 -4.659 5.049 5.152 1.00 0.00 N ATOM 784 CA LYS A 336 -3.711 5.585 4.132 1.00 0.00 C ATOM 785 C LYS A 336 -2.541 6.293 4.818 1.00 0.00 C ATOM 786 O LYS A 336 -1.436 6.312 4.312 1.00 0.00 O ATOM 787 CB LYS A 336 -4.444 6.575 3.223 1.00 0.00 C ATOM 788 CG LYS A 336 -5.099 7.670 4.071 1.00 0.00 C ATOM 789 CD LYS A 336 -5.939 8.579 3.170 1.00 0.00 C ATOM 790 CE LYS A 336 -6.670 9.614 4.026 1.00 0.00 C ATOM 791 NZ LYS A 336 -5.675 10.513 4.677 1.00 0.00 N ATOM 0 H LYS A 336 -5.541 5.555 5.227 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.325 4.757 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.744 7.020 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.201 6.054 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.727 7.222 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.335 8.254 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.299 9.080 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.658 7.985 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -7.352 10.197 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.274 9.114 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -6.156 11.365 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -5.225 10.015 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.949 10.787 3.984 1.00 0.00 H new ATOM 805 N THR A 337 -2.768 6.875 5.959 1.00 0.00 N ATOM 806 CA THR A 337 -1.659 7.579 6.660 1.00 0.00 C ATOM 807 C THR A 337 -0.604 6.566 7.095 1.00 0.00 C ATOM 808 O THR A 337 0.570 6.719 6.821 1.00 0.00 O ATOM 809 CB THR A 337 -2.207 8.292 7.896 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.317 9.098 7.524 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.113 9.174 8.505 1.00 0.00 C ATOM 0 H THR A 337 -3.669 6.895 6.436 1.00 0.00 H new ATOM 0 HA THR A 337 -1.212 8.307 5.983 1.00 0.00 H new ATOM 0 HB THR A 337 -2.526 7.553 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.670 9.554 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.504 9.682 9.386 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.263 8.554 8.791 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.792 9.914 7.772 1.00 0.00 H new ATOM 819 N LYS A 338 -1.011 5.538 7.780 1.00 0.00 N ATOM 820 CA LYS A 338 -0.039 4.521 8.247 1.00 0.00 C ATOM 821 C LYS A 338 0.848 4.077 7.078 1.00 0.00 C ATOM 822 O LYS A 338 2.045 3.933 7.225 1.00 0.00 O ATOM 823 CB LYS A 338 -0.820 3.335 8.825 1.00 0.00 C ATOM 824 CG LYS A 338 0.023 2.573 9.855 1.00 0.00 C ATOM 825 CD LYS A 338 -0.898 1.667 10.669 1.00 0.00 C ATOM 826 CE LYS A 338 -0.076 0.874 11.687 1.00 0.00 C ATOM 827 NZ LYS A 338 0.443 1.797 12.735 1.00 0.00 N ATOM 0 H LYS A 338 -1.982 5.359 8.037 1.00 0.00 H new ATOM 0 HA LYS A 338 0.608 4.937 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -1.737 3.692 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.114 2.661 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.788 1.981 9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.541 3.273 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -1.651 2.265 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.430 0.984 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -0.692 0.099 12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 338 0.752 0.371 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.778 1.244 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 1.231 2.354 12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -0.317 2.438 13.040 1.00 0.00 H new ATOM 841 N PHE A 339 0.287 3.874 5.914 1.00 0.00 N ATOM 842 CA PHE A 339 1.138 3.461 4.759 1.00 0.00 C ATOM 843 C PHE A 339 2.156 4.566 4.496 1.00 0.00 C ATOM 844 O PHE A 339 3.350 4.352 4.540 1.00 0.00 O ATOM 845 CB PHE A 339 0.282 3.251 3.506 1.00 0.00 C ATOM 846 CG PHE A 339 1.184 2.883 2.348 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.659 1.573 2.222 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.554 3.852 1.406 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.502 1.228 1.156 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.396 3.508 0.339 1.00 0.00 C ATOM 851 CZ PHE A 339 2.871 2.194 0.214 1.00 0.00 C ATOM 0 H PHE A 339 -0.708 3.974 5.715 1.00 0.00 H new ATOM 0 HA PHE A 339 1.639 2.522 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.450 2.462 3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.276 4.158 3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.375 0.825 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.190 4.864 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.867 0.216 1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.679 4.255 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.520 1.929 -0.608 1.00 0.00 H new ATOM 861 N THR A 340 1.691 5.757 4.235 1.00 0.00 N ATOM 862 CA THR A 340 2.634 6.886 3.984 1.00 0.00 C ATOM 863 C THR A 340 3.710 6.895 5.074 1.00 0.00 C ATOM 864 O THR A 340 4.891 6.958 4.795 1.00 0.00 O ATOM 865 CB THR A 340 1.872 8.213 4.014 1.00 0.00 C ATOM 866 OG1 THR A 340 0.884 8.214 2.993 1.00 0.00 O ATOM 867 CG2 THR A 340 2.847 9.369 3.785 1.00 0.00 C ATOM 0 H THR A 340 0.701 5.998 4.185 1.00 0.00 H new ATOM 0 HA THR A 340 3.099 6.760 3.006 1.00 0.00 H new ATOM 0 HB THR A 340 1.391 8.334 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 340 0.109 7.691 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 340 2.303 10.313 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.603 9.368 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 340 3.330 9.251 2.815 1.00 0.00 H new ATOM 875 N GLN A 341 3.309 6.819 6.313 1.00 0.00 N ATOM 876 CA GLN A 341 4.305 6.809 7.423 1.00 0.00 C ATOM 877 C GLN A 341 5.214 5.597 7.253 1.00 0.00 C ATOM 878 O GLN A 341 6.418 5.695 7.369 1.00 0.00 O ATOM 879 CB GLN A 341 3.576 6.732 8.771 1.00 0.00 C ATOM 880 CG GLN A 341 3.071 8.124 9.168 1.00 0.00 C ATOM 881 CD GLN A 341 4.242 8.970 9.677 1.00 0.00 C ATOM 882 OE1 GLN A 341 4.578 9.979 9.090 1.00 0.00 O ATOM 883 NE2 GLN A 341 4.882 8.596 10.751 1.00 0.00 N ATOM 0 H GLN A 341 2.333 6.763 6.606 1.00 0.00 H new ATOM 0 HA GLN A 341 4.900 7.722 7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.739 6.037 8.703 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.249 6.347 9.537 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.603 8.610 8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 341 2.308 8.038 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 341 4.600 7.749 11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 341 5.664 9.151 11.098 1.00 0.00 H new ATOM 892 N TYR A 342 4.652 4.455 6.967 1.00 0.00 N ATOM 893 CA TYR A 342 5.504 3.248 6.781 1.00 0.00 C ATOM 894 C TYR A 342 6.581 3.565 5.743 1.00 0.00 C ATOM 895 O TYR A 342 7.678 3.047 5.790 1.00 0.00 O ATOM 896 CB TYR A 342 4.662 2.065 6.299 1.00 0.00 C ATOM 897 CG TYR A 342 5.572 0.887 6.057 1.00 0.00 C ATOM 898 CD1 TYR A 342 5.892 0.018 7.106 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.101 0.670 4.781 1.00 0.00 C ATOM 900 CE1 TYR A 342 6.743 -1.071 6.877 1.00 0.00 C ATOM 901 CE2 TYR A 342 6.953 -0.417 4.551 1.00 0.00 C ATOM 902 CZ TYR A 342 7.273 -1.288 5.600 1.00 0.00 C ATOM 903 OH TYR A 342 8.114 -2.359 5.374 1.00 0.00 O ATOM 0 H TYR A 342 3.649 4.306 6.855 1.00 0.00 H new ATOM 0 HA TYR A 342 5.962 2.980 7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 342 3.907 1.812 7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.132 2.327 5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 342 5.483 0.187 8.091 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.852 1.341 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 342 6.990 -1.743 7.686 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.363 -0.584 3.566 1.00 0.00 H new ATOM 0 HH TYR A 342 7.882 -3.091 5.982 1.00 0.00 H new ATOM 913 N LEU A 343 6.279 4.424 4.804 1.00 0.00 N ATOM 914 CA LEU A 343 7.295 4.788 3.774 1.00 0.00 C ATOM 915 C LEU A 343 8.187 5.896 4.317 1.00 0.00 C ATOM 916 O LEU A 343 9.394 5.861 4.172 1.00 0.00 O ATOM 917 CB LEU A 343 6.608 5.284 2.498 1.00 0.00 C ATOM 918 CG LEU A 343 5.934 4.129 1.742 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.355 4.688 0.445 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.954 3.029 1.398 1.00 0.00 C ATOM 0 H LEU A 343 5.376 4.887 4.707 1.00 0.00 H new ATOM 0 HA LEU A 343 7.890 3.905 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 343 5.863 6.038 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.341 5.766 1.851 1.00 0.00 H new ATOM 0 HG LEU A 343 5.155 3.694 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.870 3.887 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.624 5.463 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.157 5.114 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.453 2.222 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.741 3.446 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.391 2.638 2.317 1.00 0.00 H new ATOM 932 N SER A 344 7.612 6.885 4.942 1.00 0.00 N ATOM 933 CA SER A 344 8.444 7.987 5.494 1.00 0.00 C ATOM 934 C SER A 344 9.574 7.373 6.312 1.00 0.00 C ATOM 935 O SER A 344 10.637 7.944 6.457 1.00 0.00 O ATOM 936 CB SER A 344 7.589 8.882 6.390 1.00 0.00 C ATOM 937 OG SER A 344 8.312 10.068 6.694 1.00 0.00 O ATOM 0 H SER A 344 6.608 6.977 5.093 1.00 0.00 H new ATOM 0 HA SER A 344 8.852 8.590 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.653 9.131 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 344 7.329 8.355 7.308 1.00 0.00 H new ATOM 0 HG SER A 344 7.766 10.646 7.267 1.00 0.00 H new ATOM 943 N THR A 345 9.349 6.194 6.840 1.00 0.00 N ATOM 944 CA THR A 345 10.402 5.511 7.645 1.00 0.00 C ATOM 945 C THR A 345 11.129 4.485 6.767 1.00 0.00 C ATOM 946 O THR A 345 11.968 3.741 7.235 1.00 0.00 O ATOM 947 CB THR A 345 9.759 4.830 8.864 1.00 0.00 C ATOM 948 OG1 THR A 345 10.779 4.318 9.709 1.00 0.00 O ATOM 949 CG2 THR A 345 8.838 3.689 8.429 1.00 0.00 C ATOM 0 H THR A 345 8.476 5.675 6.746 1.00 0.00 H new ATOM 0 HA THR A 345 11.128 6.241 8.002 1.00 0.00 H new ATOM 0 HB THR A 345 9.164 5.569 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.521 3.986 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.395 3.223 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.047 4.083 7.790 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.414 2.947 7.877 1.00 0.00 H new ATOM 957 N ASN A 346 10.822 4.447 5.487 1.00 0.00 N ATOM 958 CA ASN A 346 11.505 3.481 4.570 1.00 0.00 C ATOM 959 C ASN A 346 11.813 4.198 3.255 1.00 0.00 C ATOM 960 O ASN A 346 11.200 3.940 2.238 1.00 0.00 O ATOM 961 CB ASN A 346 10.588 2.286 4.295 1.00 0.00 C ATOM 962 CG ASN A 346 11.389 1.175 3.614 1.00 0.00 C ATOM 963 OD1 ASN A 346 11.322 1.044 2.317 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 12.082 0.420 4.266 1.00 0.00 N flip ATOM 0 H ASN A 346 10.127 5.045 5.041 1.00 0.00 H new ATOM 0 HA ASN A 346 12.425 3.121 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.159 1.920 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 346 9.756 2.591 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.134 0.523 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 346 12.612 -0.317 3.800 1.00 0.00 H new ATOM 971 N PRO A 347 12.755 5.103 3.287 1.00 0.00 N ATOM 972 CA PRO A 347 13.160 5.895 2.090 1.00 0.00 C ATOM 973 C PRO A 347 13.412 5.014 0.859 1.00 0.00 C ATOM 974 O PRO A 347 13.238 5.439 -0.265 1.00 0.00 O ATOM 975 CB PRO A 347 14.454 6.591 2.537 1.00 0.00 C ATOM 976 CG PRO A 347 14.337 6.699 4.023 1.00 0.00 C ATOM 977 CD PRO A 347 13.542 5.471 4.475 1.00 0.00 C ATOM 0 HA PRO A 347 12.378 6.588 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.333 6.013 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.554 7.574 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 347 15.321 6.720 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.828 7.620 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.201 4.660 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.899 5.701 5.325 1.00 0.00 H new ATOM 985 N ALA A 348 13.829 3.796 1.065 1.00 0.00 N ATOM 986 CA ALA A 348 14.103 2.895 -0.089 1.00 0.00 C ATOM 987 C ALA A 348 12.925 2.913 -1.066 1.00 0.00 C ATOM 988 O ALA A 348 13.094 3.111 -2.255 1.00 0.00 O ATOM 989 CB ALA A 348 14.315 1.468 0.421 1.00 0.00 C ATOM 0 H ALA A 348 13.992 3.385 1.984 1.00 0.00 H new ATOM 0 HA ALA A 348 14.998 3.242 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.516 0.806 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.162 1.449 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.419 1.131 0.942 1.00 0.00 H new ATOM 995 N LEU A 349 11.733 2.694 -0.586 1.00 0.00 N ATOM 996 CA LEU A 349 10.563 2.684 -1.499 1.00 0.00 C ATOM 997 C LEU A 349 10.260 4.115 -1.972 1.00 0.00 C ATOM 998 O LEU A 349 9.979 4.337 -3.128 1.00 0.00 O ATOM 999 CB LEU A 349 9.346 2.089 -0.750 1.00 0.00 C ATOM 1000 CG LEU A 349 9.133 0.613 -1.136 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.220 -0.065 -0.118 1.00 0.00 C ATOM 1002 CD2 LEU A 349 8.469 0.515 -2.509 1.00 0.00 C ATOM 0 H LEU A 349 11.521 2.522 0.397 1.00 0.00 H new ATOM 0 HA LEU A 349 10.779 2.072 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.501 2.169 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.451 2.664 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 349 10.107 0.123 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.074 -1.108 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.677 -0.015 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.256 0.443 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 349 8.324 -0.534 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 349 7.503 1.019 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.106 0.990 -3.256 1.00 0.00 H new ATOM 1014 N GLN A 350 10.308 5.080 -1.090 1.00 0.00 N ATOM 1015 CA GLN A 350 10.008 6.493 -1.492 1.00 0.00 C ATOM 1016 C GLN A 350 10.658 6.826 -2.840 1.00 0.00 C ATOM 1017 O GLN A 350 10.015 7.329 -3.741 1.00 0.00 O ATOM 1018 CB GLN A 350 10.552 7.452 -0.430 1.00 0.00 C ATOM 1019 CG GLN A 350 9.687 7.373 0.833 1.00 0.00 C ATOM 1020 CD GLN A 350 8.389 8.154 0.616 1.00 0.00 C ATOM 1021 OE1 GLN A 350 7.360 7.550 0.088 1.00 0.00 O flip ATOM 1022 NE2 GLN A 350 8.311 9.325 0.931 1.00 0.00 N flip ATOM 0 H GLN A 350 10.542 4.953 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 350 8.927 6.602 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.584 7.197 -0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 350 10.557 8.472 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 350 9.462 6.333 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 350 10.231 7.781 1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 350 9.116 9.797 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 350 7.441 9.836 0.783 1.00 0.00 H new ATOM 1031 N ARG A 351 11.926 6.568 -2.984 1.00 0.00 N ATOM 1032 CA ARG A 351 12.599 6.888 -4.273 1.00 0.00 C ATOM 1033 C ARG A 351 12.032 6.006 -5.383 1.00 0.00 C ATOM 1034 O ARG A 351 11.784 6.457 -6.483 1.00 0.00 O ATOM 1035 CB ARG A 351 14.100 6.636 -4.141 1.00 0.00 C ATOM 1036 CG ARG A 351 14.595 7.238 -2.823 1.00 0.00 C ATOM 1037 CD ARG A 351 16.129 7.318 -2.820 1.00 0.00 C ATOM 1038 NE ARG A 351 16.637 7.207 -1.415 1.00 0.00 N ATOM 1039 CZ ARG A 351 16.154 7.955 -0.458 1.00 0.00 C ATOM 1040 NH1 ARG A 351 15.356 8.952 -0.731 1.00 0.00 N ATOM 1041 NH2 ARG A 351 16.521 7.740 0.776 1.00 0.00 N ATOM 0 H ARG A 351 12.524 6.152 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 351 12.425 7.935 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.305 5.566 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.632 7.082 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.171 8.233 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 351 14.254 6.629 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.546 6.518 -3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.455 8.260 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 351 17.374 6.535 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 351 15.104 9.153 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 351 14.985 9.529 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.181 6.992 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 351 16.148 8.320 1.527 1.00 0.00 H new ATOM 1055 N ILE A 352 11.832 4.749 -5.105 1.00 0.00 N ATOM 1056 CA ILE A 352 11.288 3.839 -6.153 1.00 0.00 C ATOM 1057 C ILE A 352 9.862 4.259 -6.526 1.00 0.00 C ATOM 1058 O ILE A 352 9.577 4.570 -7.666 1.00 0.00 O ATOM 1059 CB ILE A 352 11.282 2.401 -5.628 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.710 2.000 -5.243 1.00 0.00 C ATOM 1061 CG2 ILE A 352 10.766 1.464 -6.723 1.00 0.00 C ATOM 1062 CD1 ILE A 352 12.696 0.639 -4.539 1.00 0.00 C ATOM 0 H ILE A 352 12.020 4.313 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 352 11.918 3.900 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 352 10.634 2.330 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.337 1.952 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.145 2.754 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 352 10.761 0.439 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 352 9.753 1.754 -7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.416 1.531 -7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 352 13.714 0.359 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.085 0.701 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.279 -0.113 -5.209 1.00 0.00 H new ATOM 1074 N ILE A 353 8.965 4.272 -5.581 1.00 0.00 N ATOM 1075 CA ILE A 353 7.563 4.670 -5.884 1.00 0.00 C ATOM 1076 C ILE A 353 7.542 6.097 -6.440 1.00 0.00 C ATOM 1077 O ILE A 353 7.780 6.320 -7.611 1.00 0.00 O ATOM 1078 CB ILE A 353 6.738 4.590 -4.595 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.179 5.696 -3.610 1.00 0.00 C ATOM 1080 CG2 ILE A 353 6.975 3.223 -3.953 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.525 7.057 -3.941 1.00 0.00 C ATOM 0 H ILE A 353 9.143 4.023 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 353 7.136 4.000 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 353 5.682 4.726 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 353 6.914 5.404 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 353 8.264 5.798 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.395 3.148 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.665 2.438 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 353 8.034 3.107 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.862 7.806 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.811 7.363 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.441 6.963 -3.885 1.00 0.00 H new TER 1093 ILE A 353