USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 248 LYS NZ :NH3+ 146:sc= 1.2 (180deg=-0.405) USER MOD Set 1.2: A 276 CYS SG : rot 5:sc= -4.05! USER MOD Set 1.3: A 284 TYR OH : rot 60:sc= 1.36 USER MOD Set 2.1: A 234 THR OG1 : rot 180:sc= 0.171 USER MOD Set 2.2: A 270 THR OG1 : rot -93:sc= 0.174 USER MOD Set 3.1: A 218 LYS NZ :NH3+ -152:sc= 1.36 (180deg=-0.905) USER MOD Set 3.2: A 286 CYS SG : rot -63:sc= -3.12! USER MOD Set 3.3: A 293 CYS SG : rot -70:sc= -4.48! USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ -141:sc= 0.983 (180deg=0.0911) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 2:sc= 1.15 USER MOD Single : A 216 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 217 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.229) USER MOD Single : A 223 TYR OH : rot -141:sc= -0.525 USER MOD Single : A 224 GLN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 230 LYS NZ :NH3+ -140:sc= -1.18! (180deg=-4.46!) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.0837 F(o=-2.2,f=0.084) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN :FLIP amide:sc= -0.559 F(o=-3!,f=-0.56) USER MOD Single : A 251 GLN :FLIP amide:sc= -0.245 F(o=-2.2!,f=-0.24) USER MOD Single : A 254 GLN :FLIP amide:sc= -0.413 F(o=-3.6!,f=-0.41) USER MOD Single : A 255 MET CE :methyl 155:sc= -0.25 (180deg=-1.1) USER MOD Single : A 256 SER OG : rot 70:sc= 0.472 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 166:sc= -0.0118 (180deg=-0.171) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ -107:sc= 1.14 (180deg=-0.938) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0.00281 USER MOD Single : A 274 SER OG : rot 123:sc= 1.24 USER MOD Single : A 275 GLN :FLIP amide:sc= -0.0283 F(o=-1.4!,f=-0.028) USER MOD Single : A 277 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.2! C(o=-14!,f=-11!) USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot 100:sc= 1.05 USER MOD Single : A 295 THR OG1 : rot -154:sc= -3.54! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 1.581 -15.870 -0.385 1.00 3.09 N ATOM 2 CA ASP A 208 2.068 -14.741 0.444 1.00 2.68 C ATOM 3 C ASP A 208 3.525 -14.434 0.136 1.00 1.97 C ATOM 4 O ASP A 208 4.398 -15.292 0.276 1.00 2.14 O ATOM 5 CB ASP A 208 1.916 -15.096 1.929 1.00 3.41 C ATOM 6 CG ASP A 208 0.472 -15.284 2.354 1.00 4.18 C ATOM 7 OD1 ASP A 208 -0.410 -15.345 1.473 1.00 4.71 O ATOM 8 OD2 ASP A 208 0.204 -15.336 3.575 1.00 4.43 O ATOM 0 HA ASP A 208 1.474 -13.856 0.213 1.00 2.68 H new ATOM 0 HB2 ASP A 208 2.471 -16.011 2.136 1.00 3.41 H new ATOM 0 HB3 ASP A 208 2.366 -14.307 2.532 1.00 3.41 H new ATOM 13 N GLU A 209 3.788 -13.195 -0.246 1.00 1.38 N ATOM 14 CA GLU A 209 5.141 -12.741 -0.511 1.00 0.90 C ATOM 15 C GLU A 209 5.828 -12.378 0.800 1.00 0.92 C ATOM 16 O GLU A 209 5.372 -11.474 1.505 1.00 1.33 O ATOM 17 CB GLU A 209 5.128 -11.502 -1.418 1.00 1.00 C ATOM 18 CG GLU A 209 4.252 -11.629 -2.655 1.00 0.81 C ATOM 19 CD GLU A 209 4.707 -12.728 -3.589 1.00 1.10 C ATOM 20 OE1 GLU A 209 5.875 -12.695 -4.023 1.00 1.51 O ATOM 21 OE2 GLU A 209 3.902 -13.633 -3.892 1.00 1.52 O ATOM 0 H GLU A 209 3.073 -12.480 -0.380 1.00 1.38 H new ATOM 0 HA GLU A 209 5.680 -13.547 -1.009 1.00 0.90 H new ATOM 0 HB2 GLU A 209 4.788 -10.646 -0.835 1.00 1.00 H new ATOM 0 HB3 GLU A 209 6.149 -11.288 -1.733 1.00 1.00 H new ATOM 0 HG2 GLU A 209 3.224 -11.823 -2.348 1.00 0.81 H new ATOM 0 HG3 GLU A 209 4.251 -10.680 -3.192 1.00 0.81 H new ATOM 28 N LYS A 210 6.973 -12.989 1.069 1.00 1.02 N ATOM 29 CA LYS A 210 7.788 -12.595 2.204 1.00 1.23 C ATOM 30 C LYS A 210 8.345 -11.209 1.931 1.00 1.22 C ATOM 31 O LYS A 210 8.741 -10.911 0.798 1.00 1.70 O ATOM 32 CB LYS A 210 8.926 -13.597 2.438 1.00 1.64 C ATOM 33 CG LYS A 210 9.788 -13.846 1.209 1.00 2.30 C ATOM 34 CD LYS A 210 10.957 -14.771 1.510 1.00 2.91 C ATOM 35 CE LYS A 210 11.922 -14.146 2.504 1.00 3.69 C ATOM 36 NZ LYS A 210 13.141 -14.974 2.690 1.00 4.13 N ATOM 0 H LYS A 210 7.356 -13.757 0.517 1.00 1.02 H new ATOM 0 HA LYS A 210 7.177 -12.582 3.107 1.00 1.23 H new ATOM 0 HB2 LYS A 210 9.559 -13.231 3.246 1.00 1.64 H new ATOM 0 HB3 LYS A 210 8.501 -14.544 2.770 1.00 1.64 H new ATOM 0 HG2 LYS A 210 9.176 -14.281 0.419 1.00 2.30 H new ATOM 0 HG3 LYS A 210 10.166 -12.895 0.833 1.00 2.30 H new ATOM 0 HD2 LYS A 210 10.583 -15.714 1.909 1.00 2.91 H new ATOM 0 HD3 LYS A 210 11.486 -15.003 0.585 1.00 2.91 H new ATOM 0 HE2 LYS A 210 12.207 -13.153 2.157 1.00 3.69 H new ATOM 0 HE3 LYS A 210 11.421 -14.017 3.464 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 13.773 -14.513 3.375 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 12.872 -15.914 3.045 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 13.633 -15.076 1.780 1.00 4.13 H new ATOM 50 N LYS A 211 8.199 -10.308 2.886 1.00 0.88 N ATOM 51 CA LYS A 211 8.534 -8.924 2.629 1.00 0.88 C ATOM 52 C LYS A 211 10.035 -8.722 2.504 1.00 0.95 C ATOM 53 O LYS A 211 10.744 -8.554 3.493 1.00 1.30 O ATOM 54 CB LYS A 211 7.954 -7.992 3.701 1.00 1.13 C ATOM 55 CG LYS A 211 8.322 -8.365 5.125 1.00 1.10 C ATOM 56 CD LYS A 211 8.065 -7.207 6.080 1.00 0.94 C ATOM 57 CE LYS A 211 8.991 -6.022 5.805 1.00 0.58 C ATOM 58 NZ LYS A 211 10.402 -6.311 6.188 1.00 1.33 N ATOM 0 H LYS A 211 7.858 -10.506 3.827 1.00 0.88 H new ATOM 0 HA LYS A 211 8.079 -8.664 1.673 1.00 0.88 H new ATOM 0 HB2 LYS A 211 8.296 -6.976 3.505 1.00 1.13 H new ATOM 0 HB3 LYS A 211 6.868 -7.985 3.610 1.00 1.13 H new ATOM 0 HG2 LYS A 211 7.743 -9.234 5.438 1.00 1.10 H new ATOM 0 HG3 LYS A 211 9.373 -8.650 5.169 1.00 1.10 H new ATOM 0 HD2 LYS A 211 7.028 -6.885 5.989 1.00 0.94 H new ATOM 0 HD3 LYS A 211 8.205 -7.546 7.107 1.00 0.94 H new ATOM 0 HE2 LYS A 211 8.948 -5.768 4.746 1.00 0.58 H new ATOM 0 HE3 LYS A 211 8.637 -5.151 6.357 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 10.826 -5.464 6.617 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 10.422 -7.093 6.873 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 10.944 -6.579 5.341 1.00 1.33 H new ATOM 72 N SER A 212 10.454 -8.494 1.280 1.00 1.04 N ATOM 73 CA SER A 212 11.786 -8.012 1.021 1.00 1.39 C ATOM 74 C SER A 212 11.676 -6.531 0.752 1.00 1.11 C ATOM 75 O SER A 212 11.673 -5.731 1.688 1.00 1.73 O ATOM 76 CB SER A 212 12.388 -8.714 -0.183 1.00 1.91 C ATOM 77 OG SER A 212 12.301 -10.122 -0.059 1.00 2.46 O ATOM 0 H SER A 212 9.885 -8.637 0.445 1.00 1.04 H new ATOM 0 HA SER A 212 12.434 -8.211 1.874 1.00 1.39 H new ATOM 0 HB2 SER A 212 11.871 -8.395 -1.088 1.00 1.91 H new ATOM 0 HB3 SER A 212 13.432 -8.421 -0.292 1.00 1.91 H new ATOM 0 HG SER A 212 12.695 -10.545 -0.850 1.00 2.46 H new ATOM 83 N THR A 213 11.306 -6.221 -0.494 1.00 0.75 N ATOM 84 CA THR A 213 10.935 -4.869 -0.905 1.00 0.42 C ATOM 85 C THR A 213 11.978 -3.850 -0.445 1.00 0.62 C ATOM 86 O THR A 213 13.077 -4.210 -0.018 1.00 1.59 O ATOM 87 CB THR A 213 9.526 -4.512 -0.348 1.00 0.48 C ATOM 88 OG1 THR A 213 9.571 -4.367 1.078 1.00 1.20 O ATOM 89 CG2 THR A 213 8.533 -5.602 -0.695 1.00 0.93 C ATOM 0 H THR A 213 11.256 -6.906 -1.248 1.00 0.75 H new ATOM 0 HA THR A 213 10.899 -4.835 -1.994 1.00 0.42 H new ATOM 0 HB THR A 213 9.214 -3.571 -0.800 1.00 0.48 H new ATOM 0 HG1 THR A 213 10.490 -4.501 1.392 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.552 -5.340 -0.299 1.00 0.93 H new ATOM 0 HG22 THR A 213 8.471 -5.707 -1.778 1.00 0.93 H new ATOM 0 HG23 THR A 213 8.860 -6.545 -0.257 1.00 0.93 H new ATOM 97 N ALA A 214 11.594 -2.599 -0.404 1.00 0.50 N ATOM 98 CA ALA A 214 12.420 -1.596 0.220 1.00 0.39 C ATOM 99 C ALA A 214 11.651 -0.991 1.365 1.00 0.25 C ATOM 100 O ALA A 214 11.930 0.115 1.819 1.00 0.27 O ATOM 101 CB ALA A 214 12.819 -0.537 -0.766 1.00 0.48 C ATOM 0 H ALA A 214 10.718 -2.251 -0.794 1.00 0.50 H new ATOM 0 HA ALA A 214 13.336 -2.057 0.589 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.441 0.207 -0.269 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.380 -0.993 -1.582 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.926 -0.055 -1.164 1.00 0.48 H new ATOM 107 N PHE A 215 10.682 -1.749 1.838 1.00 0.25 N ATOM 108 CA PHE A 215 9.894 -1.358 2.974 1.00 0.18 C ATOM 109 C PHE A 215 10.456 -2.055 4.183 1.00 0.21 C ATOM 110 O PHE A 215 10.283 -3.265 4.355 1.00 0.28 O ATOM 111 CB PHE A 215 8.410 -1.721 2.778 1.00 0.20 C ATOM 112 CG PHE A 215 7.832 -1.238 1.465 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.245 -1.781 0.258 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.855 -0.257 1.445 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.696 -1.355 -0.935 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.300 0.166 0.256 1.00 0.31 C ATOM 117 CZ PHE A 215 6.818 -0.316 -0.954 1.00 0.35 C ATOM 0 H PHE A 215 10.424 -2.652 1.441 1.00 0.25 H new ATOM 0 HA PHE A 215 9.940 -0.276 3.101 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.300 -2.804 2.837 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.830 -1.297 3.598 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.006 -2.547 0.251 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.523 0.183 2.374 1.00 0.26 H new ATOM 0 HE1 PHE A 215 7.965 -1.849 -1.857 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.474 0.862 0.257 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.523 0.133 -1.891 1.00 0.35 H new ATOM 127 N GLN A 216 11.147 -1.272 4.988 1.00 0.18 N ATOM 128 CA GLN A 216 11.739 -1.725 6.227 1.00 0.21 C ATOM 129 C GLN A 216 10.738 -2.571 6.982 1.00 0.24 C ATOM 130 O GLN A 216 10.977 -3.743 7.281 1.00 0.31 O ATOM 131 CB GLN A 216 12.090 -0.498 7.052 1.00 0.20 C ATOM 132 CG GLN A 216 13.456 -0.573 7.710 1.00 0.25 C ATOM 133 CD GLN A 216 13.651 0.506 8.748 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.040 0.472 9.813 1.00 0.92 O ATOM 135 NE2 GLN A 216 14.483 1.483 8.442 1.00 0.79 N ATOM 0 H GLN A 216 11.315 -0.285 4.794 1.00 0.18 H new ATOM 0 HA GLN A 216 12.630 -2.321 6.031 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.054 0.382 6.410 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.332 -0.361 7.824 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.579 -1.550 8.177 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.230 -0.485 6.947 1.00 0.25 H new ATOM 0 HE21 GLN A 216 14.972 1.475 7.547 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.638 2.246 9.101 1.00 0.79 H new ATOM 144 N LYS A 217 9.554 -2.014 7.113 1.00 0.20 N ATOM 145 CA LYS A 217 8.430 -2.737 7.636 1.00 0.22 C ATOM 146 C LYS A 217 7.204 -2.459 6.766 1.00 0.17 C ATOM 147 O LYS A 217 6.709 -1.337 6.744 1.00 0.17 O ATOM 148 CB LYS A 217 8.205 -2.276 9.084 1.00 0.28 C ATOM 149 CG LYS A 217 7.152 -3.041 9.864 1.00 0.36 C ATOM 150 CD LYS A 217 5.762 -2.464 9.660 1.00 0.59 C ATOM 151 CE LYS A 217 4.823 -2.855 10.791 1.00 1.26 C ATOM 152 NZ LYS A 217 4.927 -4.296 11.139 1.00 1.85 N ATOM 0 H LYS A 217 9.350 -1.048 6.858 1.00 0.20 H new ATOM 0 HA LYS A 217 8.610 -3.812 7.626 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.151 -2.349 9.620 1.00 0.28 H new ATOM 0 HB3 LYS A 217 7.926 -1.222 9.071 1.00 0.28 H new ATOM 0 HG2 LYS A 217 7.160 -4.086 9.555 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.401 -3.021 10.925 1.00 0.36 H new ATOM 0 HD2 LYS A 217 5.824 -1.378 9.597 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.357 -2.816 8.711 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.049 -2.254 11.672 1.00 1.26 H new ATOM 0 HE3 LYS A 217 3.797 -2.626 10.503 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.129 -4.564 11.749 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 4.905 -4.866 10.269 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 5.821 -4.468 11.643 1.00 1.85 H new ATOM 166 N LYS A 218 6.597 -3.509 6.233 1.00 0.19 N ATOM 167 CA LYS A 218 5.280 -3.369 5.630 1.00 0.20 C ATOM 168 C LYS A 218 4.253 -3.614 6.723 1.00 0.18 C ATOM 169 O LYS A 218 4.481 -4.441 7.609 1.00 0.20 O ATOM 170 CB LYS A 218 5.065 -4.323 4.424 1.00 0.31 C ATOM 171 CG LYS A 218 3.716 -4.129 3.719 1.00 0.39 C ATOM 172 CD LYS A 218 2.621 -5.009 4.299 1.00 0.96 C ATOM 173 CE LYS A 218 3.050 -6.460 4.445 1.00 1.56 C ATOM 174 NZ LYS A 218 3.274 -7.113 3.135 1.00 2.42 N ATOM 0 H LYS A 218 6.987 -4.451 6.205 1.00 0.19 H new ATOM 0 HA LYS A 218 5.175 -2.365 5.219 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.868 -4.169 3.703 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.140 -5.354 4.769 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.416 -3.084 3.797 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.830 -4.349 2.658 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.328 -4.621 5.275 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.741 -4.957 3.658 1.00 0.96 H new ATOM 0 HE2 LYS A 218 3.966 -6.509 5.034 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.287 -7.009 4.997 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 3.096 -8.134 3.221 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.627 -6.707 2.429 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 4.257 -6.957 2.833 1.00 2.42 H new ATOM 188 N LEU A 219 3.201 -2.812 6.734 1.00 0.16 N ATOM 189 CA LEU A 219 2.182 -2.882 7.774 1.00 0.16 C ATOM 190 C LEU A 219 1.557 -4.281 7.842 1.00 0.16 C ATOM 191 O LEU A 219 1.831 -5.126 6.997 1.00 0.17 O ATOM 192 CB LEU A 219 1.103 -1.834 7.530 1.00 0.20 C ATOM 193 CG LEU A 219 0.750 -0.962 8.736 1.00 0.66 C ATOM 194 CD1 LEU A 219 1.961 -0.164 9.192 1.00 1.20 C ATOM 195 CD2 LEU A 219 -0.409 -0.034 8.398 1.00 1.62 C ATOM 0 H LEU A 219 3.028 -2.097 6.027 1.00 0.16 H new ATOM 0 HA LEU A 219 2.663 -2.678 8.731 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.428 -1.185 6.717 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.199 -2.340 7.192 1.00 0.20 H new ATOM 0 HG LEU A 219 0.443 -1.612 9.555 1.00 0.66 H new ATOM 0 HD11 LEU A 219 1.690 0.450 10.051 1.00 1.20 H new ATOM 0 HD12 LEU A 219 2.762 -0.847 9.473 1.00 1.20 H new ATOM 0 HD13 LEU A 219 2.300 0.478 8.379 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -0.649 0.580 9.266 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.128 0.610 7.564 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.281 -0.627 8.121 1.00 1.62 H new ATOM 207 N GLU A 220 0.803 -4.554 8.897 1.00 0.17 N ATOM 208 CA GLU A 220 0.189 -5.870 9.089 1.00 0.20 C ATOM 209 C GLU A 220 -0.487 -6.355 7.802 1.00 0.19 C ATOM 210 O GLU A 220 -1.029 -5.551 7.043 1.00 0.19 O ATOM 211 CB GLU A 220 -0.839 -5.811 10.216 1.00 0.23 C ATOM 212 CG GLU A 220 -1.842 -4.678 10.065 1.00 0.24 C ATOM 213 CD GLU A 220 -3.015 -4.816 11.009 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.203 -5.914 11.577 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.767 -3.833 11.176 1.00 1.12 O ATOM 0 H GLU A 220 0.598 -3.883 9.638 1.00 0.17 H new ATOM 0 HA GLU A 220 0.978 -6.574 9.353 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.377 -6.758 10.256 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.318 -5.700 11.167 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.342 -3.727 10.248 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.207 -4.654 9.038 1.00 0.24 H new ATOM 222 N PRO A 221 -0.382 -7.665 7.496 1.00 0.22 N ATOM 223 CA PRO A 221 -0.887 -8.246 6.237 1.00 0.23 C ATOM 224 C PRO A 221 -2.406 -8.218 6.096 1.00 0.20 C ATOM 225 O PRO A 221 -2.961 -9.021 5.360 1.00 0.19 O ATOM 226 CB PRO A 221 -0.392 -9.692 6.277 1.00 0.29 C ATOM 227 CG PRO A 221 -0.140 -9.967 7.718 1.00 0.57 C ATOM 228 CD PRO A 221 0.331 -8.668 8.303 1.00 0.26 C ATOM 0 HA PRO A 221 -0.530 -7.668 5.385 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.135 -10.376 5.868 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.515 -9.816 5.686 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -1.046 -10.314 8.215 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.611 -10.747 7.842 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.081 -8.587 9.361 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.412 -8.557 8.222 1.00 0.26 H new ATOM 236 N ALA A 222 -3.028 -7.173 6.609 1.00 0.20 N ATOM 237 CA ALA A 222 -4.442 -6.928 6.387 1.00 0.19 C ATOM 238 C ALA A 222 -4.768 -5.478 6.688 1.00 0.15 C ATOM 239 O ALA A 222 -5.034 -5.105 7.834 1.00 0.17 O ATOM 240 CB ALA A 222 -5.310 -7.849 7.223 1.00 0.24 C ATOM 0 H ALA A 222 -2.569 -6.471 7.190 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.658 -7.137 5.339 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.361 -7.634 7.029 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.097 -8.886 6.962 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -5.097 -7.690 8.280 1.00 0.24 H new ATOM 246 N TYR A 223 -4.742 -4.668 5.649 1.00 0.12 N ATOM 247 CA TYR A 223 -5.058 -3.258 5.772 1.00 0.11 C ATOM 248 C TYR A 223 -6.569 -3.087 5.827 1.00 0.13 C ATOM 249 O TYR A 223 -7.298 -3.684 5.031 1.00 0.17 O ATOM 250 CB TYR A 223 -4.479 -2.466 4.594 1.00 0.12 C ATOM 251 CG TYR A 223 -2.970 -2.312 4.593 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.142 -3.243 5.205 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.375 -1.229 3.964 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.767 -3.097 5.185 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.999 -1.079 3.938 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.203 -2.013 4.547 1.00 0.16 C ATOM 257 OH TYR A 223 1.166 -1.861 4.519 1.00 0.21 O ATOM 0 H TYR A 223 -4.503 -4.965 4.703 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.612 -2.873 6.689 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.778 -2.955 3.667 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.929 -1.473 4.590 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.579 -4.095 5.705 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.997 -0.488 3.485 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.137 -3.830 5.668 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.555 -0.230 3.440 1.00 0.20 H new ATOM 0 HH TYR A 223 1.392 -0.914 4.632 1.00 0.21 H new ATOM 267 N GLN A 224 -7.028 -2.370 6.839 1.00 0.15 N ATOM 268 CA GLN A 224 -8.453 -2.189 7.079 1.00 0.18 C ATOM 269 C GLN A 224 -8.954 -0.890 6.463 1.00 0.17 C ATOM 270 O GLN A 224 -8.846 0.168 7.085 1.00 0.22 O ATOM 271 CB GLN A 224 -8.715 -2.174 8.586 1.00 0.26 C ATOM 272 CG GLN A 224 -8.360 -3.475 9.281 1.00 0.34 C ATOM 273 CD GLN A 224 -9.476 -4.493 9.216 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.854 -4.956 8.144 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.015 -4.846 10.372 1.00 0.99 N ATOM 0 H GLN A 224 -6.428 -1.898 7.516 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.988 -3.016 6.613 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.142 -1.364 9.037 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -9.769 -1.955 8.760 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -7.464 -3.894 8.823 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -8.120 -3.271 10.324 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -9.671 -4.437 11.241 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.774 -5.527 10.394 1.00 0.99 H new ATOM 284 N VAL A 225 -9.502 -0.955 5.250 1.00 0.16 N ATOM 285 CA VAL A 225 -10.032 0.240 4.608 1.00 0.18 C ATOM 286 C VAL A 225 -11.167 0.807 5.422 1.00 0.24 C ATOM 287 O VAL A 225 -12.241 0.240 5.435 1.00 0.30 O ATOM 288 CB VAL A 225 -10.606 -0.026 3.201 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.962 1.290 2.517 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.654 -0.832 2.349 1.00 0.77 C ATOM 0 H VAL A 225 -9.589 -1.811 4.701 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.187 0.925 4.532 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.513 -0.618 3.320 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.366 1.087 1.525 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.707 1.819 3.111 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.067 1.906 2.425 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.096 -0.997 1.366 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.716 -0.288 2.238 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.462 -1.793 2.827 1.00 0.77 H new ATOM 300 N SER A 226 -11.033 2.033 5.852 1.00 0.26 N ATOM 301 CA SER A 226 -12.190 2.722 6.366 1.00 0.33 C ATOM 302 C SER A 226 -13.013 3.164 5.161 1.00 0.32 C ATOM 303 O SER A 226 -12.495 3.881 4.302 1.00 0.32 O ATOM 304 CB SER A 226 -11.756 3.910 7.218 1.00 0.42 C ATOM 305 OG SER A 226 -10.716 3.536 8.110 1.00 1.20 O ATOM 0 H SER A 226 -10.162 2.564 5.859 1.00 0.26 H new ATOM 0 HA SER A 226 -12.788 2.076 7.009 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.415 4.720 6.574 1.00 0.42 H new ATOM 0 HB3 SER A 226 -12.608 4.289 7.783 1.00 0.42 H new ATOM 0 HG SER A 226 -10.450 4.312 8.646 1.00 1.20 H new ATOM 311 N LYS A 227 -14.112 2.457 4.922 1.00 0.34 N ATOM 312 CA LYS A 227 -14.825 2.575 3.656 1.00 0.37 C ATOM 313 C LYS A 227 -15.124 4.012 3.293 1.00 0.42 C ATOM 314 O LYS A 227 -15.701 4.776 4.071 1.00 0.48 O ATOM 315 CB LYS A 227 -16.107 1.726 3.638 1.00 0.44 C ATOM 316 CG LYS A 227 -17.269 2.330 2.841 1.00 0.95 C ATOM 317 CD LYS A 227 -18.336 2.967 3.727 1.00 0.93 C ATOM 318 CE LYS A 227 -19.182 1.919 4.433 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.372 2.510 5.101 1.00 1.54 N ATOM 0 H LYS A 227 -14.526 1.800 5.584 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.154 2.182 2.893 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.871 0.746 3.223 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.434 1.566 4.665 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -16.879 3.082 2.155 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.728 1.551 2.233 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -17.858 3.608 4.468 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.979 3.605 3.121 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -19.508 1.171 3.710 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.572 1.402 5.174 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.917 1.758 5.568 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.063 3.205 5.810 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.970 2.981 4.392 1.00 1.54 H new ATOM 333 N GLY A 228 -14.680 4.367 2.101 1.00 0.46 N ATOM 334 CA GLY A 228 -14.888 5.705 1.589 1.00 0.57 C ATOM 335 C GLY A 228 -14.100 6.748 2.351 1.00 0.57 C ATOM 336 O GLY A 228 -14.297 7.947 2.164 1.00 0.70 O ATOM 0 H GLY A 228 -14.173 3.746 1.471 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.603 5.736 0.537 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.949 5.948 1.639 1.00 0.57 H new ATOM 340 N HIS A 229 -13.143 6.289 3.145 1.00 0.47 N ATOM 341 CA HIS A 229 -12.247 7.186 3.863 1.00 0.53 C ATOM 342 C HIS A 229 -10.955 7.299 3.084 1.00 0.54 C ATOM 343 O HIS A 229 -10.073 8.085 3.428 1.00 1.02 O ATOM 344 CB HIS A 229 -11.972 6.656 5.278 1.00 0.55 C ATOM 345 CG HIS A 229 -11.055 7.517 6.103 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.357 8.811 6.458 1.00 1.94 N ATOM 347 CD2 HIS A 229 -9.832 7.259 6.633 1.00 2.31 C ATOM 348 CE1 HIS A 229 -10.362 9.317 7.166 1.00 2.66 C ATOM 349 NE2 HIS A 229 -9.426 8.395 7.287 1.00 2.89 N ATOM 0 H HIS A 229 -12.966 5.298 3.309 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.710 8.168 3.959 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.921 6.552 5.803 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.540 5.658 5.200 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -9.282 6.333 6.555 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -10.322 10.315 7.576 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -8.544 8.508 7.786 1.00 2.89 H new ATOM 358 N LYS A 230 -10.827 6.411 2.100 1.00 0.30 N ATOM 359 CA LYS A 230 -9.599 6.240 1.333 1.00 0.28 C ATOM 360 C LYS A 230 -8.547 5.615 2.232 1.00 0.24 C ATOM 361 O LYS A 230 -8.099 6.239 3.195 1.00 0.28 O ATOM 362 CB LYS A 230 -9.068 7.569 0.757 1.00 0.36 C ATOM 363 CG LYS A 230 -10.012 8.269 -0.212 1.00 1.00 C ATOM 364 CD LYS A 230 -10.871 9.333 0.470 1.00 1.23 C ATOM 365 CE LYS A 230 -10.057 10.553 0.895 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.274 10.318 2.140 1.00 2.24 N ATOM 0 H LYS A 230 -11.580 5.786 1.812 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.821 5.593 0.484 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.851 8.246 1.583 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.124 7.376 0.247 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.431 8.733 -1.009 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.661 7.529 -0.680 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -11.663 9.647 -0.210 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -11.355 8.899 1.345 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -9.376 10.829 0.090 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -10.729 11.398 1.048 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -9.309 11.168 2.738 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.680 9.513 2.658 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -8.285 10.109 1.894 1.00 2.24 H new ATOM 380 N ILE A 231 -8.238 4.347 2.012 1.00 0.20 N ATOM 381 CA ILE A 231 -7.333 3.675 2.930 1.00 0.17 C ATOM 382 C ILE A 231 -5.885 3.914 2.533 1.00 0.16 C ATOM 383 O ILE A 231 -5.539 3.930 1.357 1.00 0.17 O ATOM 384 CB ILE A 231 -7.591 2.158 3.045 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.628 1.559 4.081 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.409 1.480 1.699 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.674 0.057 4.186 1.00 0.19 C ATOM 0 H ILE A 231 -8.584 3.781 1.238 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.528 4.111 3.910 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.619 1.993 3.368 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.611 1.861 3.830 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.855 1.985 5.058 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.595 0.411 1.802 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.111 1.903 0.981 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.390 1.638 1.347 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.962 -0.277 4.941 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.678 -0.257 4.470 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.415 -0.383 3.223 1.00 0.19 H new ATOM 399 N ARG A 232 -5.083 4.235 3.523 1.00 0.17 N ATOM 400 CA ARG A 232 -3.698 4.600 3.310 1.00 0.17 C ATOM 401 C ARG A 232 -2.792 3.407 3.607 1.00 0.15 C ATOM 402 O ARG A 232 -2.976 2.729 4.620 1.00 0.19 O ATOM 403 CB ARG A 232 -3.371 5.774 4.227 1.00 0.22 C ATOM 404 CG ARG A 232 -4.449 6.848 4.236 1.00 0.34 C ATOM 405 CD ARG A 232 -4.200 7.878 5.321 1.00 0.77 C ATOM 406 NE ARG A 232 -3.183 8.850 4.932 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.568 9.664 5.784 1.00 2.13 C ATOM 408 NH1 ARG A 232 -2.746 9.525 7.090 1.00 2.48 N ATOM 409 NH2 ARG A 232 -1.753 10.601 5.318 1.00 3.14 N ATOM 0 H ARG A 232 -5.372 4.251 4.501 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.534 4.890 2.272 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.228 5.404 5.242 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.427 6.219 3.913 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.480 7.342 3.265 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.424 6.385 4.389 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -5.131 8.398 5.547 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.887 7.373 6.235 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.929 8.908 3.946 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -3.358 8.790 7.446 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -2.271 10.153 7.739 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -1.603 10.692 4.313 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -1.277 11.230 5.964 1.00 3.14 H new ATOM 423 N LEU A 233 -1.832 3.120 2.724 1.00 0.13 N ATOM 424 CA LEU A 233 -0.968 1.982 2.923 1.00 0.14 C ATOM 425 C LEU A 233 0.313 2.445 3.575 1.00 0.13 C ATOM 426 O LEU A 233 1.204 2.953 2.905 1.00 0.13 O ATOM 427 CB LEU A 233 -0.691 1.289 1.581 1.00 0.15 C ATOM 428 CG LEU A 233 -1.776 0.298 1.106 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.137 0.972 0.981 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.391 -0.332 -0.220 1.00 0.23 C ATOM 0 H LEU A 233 -1.644 3.659 1.879 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.452 1.256 3.577 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.564 2.055 0.816 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.256 0.754 1.657 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.850 -0.483 1.863 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.874 0.243 0.645 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.436 1.370 1.951 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.075 1.786 0.258 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.171 -1.026 -0.533 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.275 0.447 -0.973 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.450 -0.871 -0.107 1.00 0.23 H new ATOM 442 N THR A 234 0.333 2.390 4.897 1.00 0.14 N ATOM 443 CA THR A 234 1.451 2.899 5.665 1.00 0.16 C ATOM 444 C THR A 234 2.502 1.819 5.867 1.00 0.16 C ATOM 445 O THR A 234 2.175 0.646 6.054 1.00 0.22 O ATOM 446 CB THR A 234 0.983 3.447 7.029 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.052 4.421 6.825 1.00 0.33 O ATOM 448 CG2 THR A 234 2.136 4.090 7.789 1.00 0.24 C ATOM 0 H THR A 234 -0.419 1.995 5.461 1.00 0.14 H new ATOM 0 HA THR A 234 1.896 3.718 5.100 1.00 0.16 H new ATOM 0 HB THR A 234 0.603 2.613 7.619 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.350 4.768 7.692 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.776 4.467 8.746 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.916 3.349 7.961 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.542 4.915 7.204 1.00 0.24 H new ATOM 456 N VAL A 235 3.755 2.210 5.715 1.00 0.14 N ATOM 457 CA VAL A 235 4.882 1.297 5.804 1.00 0.14 C ATOM 458 C VAL A 235 6.084 2.038 6.360 1.00 0.14 C ATOM 459 O VAL A 235 6.269 3.210 6.062 1.00 0.16 O ATOM 460 CB VAL A 235 5.263 0.733 4.419 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.166 -0.148 3.867 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.542 1.872 3.460 1.00 0.14 C ATOM 0 H VAL A 235 4.021 3.176 5.525 1.00 0.14 H new ATOM 0 HA VAL A 235 4.593 0.472 6.455 1.00 0.14 H new ATOM 0 HB VAL A 235 6.160 0.125 4.534 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.463 -0.531 2.891 1.00 0.15 H new ATOM 0 HG12 VAL A 235 3.993 -0.983 4.546 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.249 0.433 3.765 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.811 1.468 2.484 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.651 2.493 3.363 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.365 2.476 3.842 1.00 0.14 H new ATOM 472 N GLU A 236 6.988 1.330 7.005 1.00 0.13 N ATOM 473 CA GLU A 236 8.244 1.935 7.368 1.00 0.13 C ATOM 474 C GLU A 236 9.220 1.628 6.256 1.00 0.13 C ATOM 475 O GLU A 236 9.411 0.470 5.920 1.00 0.17 O ATOM 476 CB GLU A 236 8.748 1.384 8.703 1.00 0.18 C ATOM 477 CG GLU A 236 9.880 2.194 9.307 1.00 0.29 C ATOM 478 CD GLU A 236 9.975 2.022 10.806 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.183 0.886 11.278 1.00 1.18 O ATOM 480 OE2 GLU A 236 9.805 3.025 11.526 1.00 1.05 O ATOM 0 H GLU A 236 6.877 0.355 7.282 1.00 0.13 H new ATOM 0 HA GLU A 236 8.131 3.012 7.494 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.919 1.352 9.409 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.084 0.357 8.559 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.823 1.894 8.849 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.734 3.249 9.073 1.00 0.29 H new ATOM 487 N LEU A 237 9.660 2.648 5.549 1.00 0.13 N ATOM 488 CA LEU A 237 10.497 2.437 4.382 1.00 0.15 C ATOM 489 C LEU A 237 11.936 2.201 4.777 1.00 0.17 C ATOM 490 O LEU A 237 12.427 2.790 5.731 1.00 0.19 O ATOM 491 CB LEU A 237 10.435 3.624 3.426 1.00 0.17 C ATOM 492 CG LEU A 237 9.444 3.493 2.272 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.507 4.727 1.390 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.733 2.248 1.450 1.00 0.55 C ATOM 0 H LEU A 237 9.455 3.625 5.758 1.00 0.13 H new ATOM 0 HA LEU A 237 10.110 1.552 3.876 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.181 4.516 3.999 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.430 3.785 3.010 1.00 0.17 H new ATOM 0 HG LEU A 237 8.441 3.403 2.689 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.797 4.624 0.570 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.256 5.609 1.979 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.514 4.835 0.987 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.014 2.176 0.634 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.742 2.308 1.041 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.651 1.366 2.085 1.00 0.55 H new ATOM 506 N ALA A 238 12.633 1.445 3.951 1.00 0.19 N ATOM 507 CA ALA A 238 14.070 1.301 4.067 1.00 0.21 C ATOM 508 C ALA A 238 14.729 2.406 3.257 1.00 0.23 C ATOM 509 O ALA A 238 15.759 2.954 3.639 1.00 0.28 O ATOM 510 CB ALA A 238 14.513 -0.067 3.575 1.00 0.25 C ATOM 0 H ALA A 238 12.220 0.915 3.183 1.00 0.19 H new ATOM 0 HA ALA A 238 14.368 1.384 5.112 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.595 -0.155 3.670 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.032 -0.842 4.172 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.230 -0.187 2.529 1.00 0.25 H new ATOM 516 N ASP A 239 14.071 2.767 2.159 1.00 0.22 N ATOM 517 CA ASP A 239 14.533 3.850 1.292 1.00 0.25 C ATOM 518 C ASP A 239 14.299 5.211 1.923 1.00 0.25 C ATOM 519 O ASP A 239 15.147 6.095 1.833 1.00 0.34 O ATOM 520 CB ASP A 239 13.835 3.804 -0.062 1.00 0.31 C ATOM 521 CG ASP A 239 14.481 2.815 -1.010 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.728 2.741 -1.040 1.00 1.28 O ATOM 523 OD2 ASP A 239 13.758 2.139 -1.758 1.00 1.19 O ATOM 0 H ASP A 239 13.209 2.322 1.846 1.00 0.22 H new ATOM 0 HA ASP A 239 15.604 3.705 1.153 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.788 3.536 0.081 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.852 4.797 -0.510 1.00 0.31 H new ATOM 528 N HIS A 240 13.118 5.374 2.525 1.00 0.27 N ATOM 529 CA HIS A 240 12.707 6.622 3.191 1.00 0.39 C ATOM 530 C HIS A 240 12.284 7.689 2.180 1.00 0.47 C ATOM 531 O HIS A 240 11.225 8.302 2.317 1.00 0.70 O ATOM 532 CB HIS A 240 13.821 7.203 4.085 1.00 0.46 C ATOM 533 CG HIS A 240 14.403 6.253 5.092 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.177 4.938 5.328 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.375 6.634 5.987 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.013 4.554 6.348 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.722 5.601 6.725 1.00 0.48 N flip ATOM 0 H HIS A 240 12.411 4.640 2.567 1.00 0.27 H new ATOM 0 HA HIS A 240 11.856 6.355 3.817 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.626 7.564 3.444 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.423 8.068 4.615 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.509 4.343 4.838 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.790 7.628 6.071 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.079 3.562 6.770 1.00 0.57 H new ATOM 546 N ASP A 241 13.121 7.922 1.178 1.00 0.41 N ATOM 547 CA ASP A 241 12.867 8.953 0.181 1.00 0.51 C ATOM 548 C ASP A 241 12.900 8.355 -1.216 1.00 0.44 C ATOM 549 O ASP A 241 13.729 8.708 -2.053 1.00 0.78 O ATOM 550 CB ASP A 241 13.888 10.092 0.305 1.00 0.80 C ATOM 551 CG ASP A 241 13.609 11.244 -0.652 1.00 1.53 C ATOM 552 OD1 ASP A 241 12.544 11.883 -0.526 1.00 2.22 O ATOM 553 OD2 ASP A 241 14.452 11.509 -1.539 1.00 2.08 O ATOM 0 H ASP A 241 13.989 7.406 1.034 1.00 0.41 H new ATOM 0 HA ASP A 241 11.874 9.367 0.358 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.884 10.467 1.328 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.887 9.700 0.113 1.00 0.80 H new ATOM 558 N ALA A 242 12.014 7.406 -1.441 1.00 0.33 N ATOM 559 CA ALA A 242 11.911 6.739 -2.727 1.00 0.30 C ATOM 560 C ALA A 242 10.457 6.535 -3.100 1.00 0.24 C ATOM 561 O ALA A 242 9.601 6.369 -2.226 1.00 0.28 O ATOM 562 CB ALA A 242 12.626 5.404 -2.700 1.00 0.38 C ATOM 0 H ALA A 242 11.348 7.075 -0.743 1.00 0.33 H new ATOM 0 HA ALA A 242 12.386 7.373 -3.476 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.535 4.923 -3.674 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.680 5.560 -2.469 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.178 4.767 -1.937 1.00 0.38 H new ATOM 568 N GLU A 243 10.185 6.526 -4.392 1.00 0.26 N ATOM 569 CA GLU A 243 8.841 6.294 -4.879 1.00 0.30 C ATOM 570 C GLU A 243 8.439 4.857 -4.622 1.00 0.25 C ATOM 571 O GLU A 243 9.065 3.924 -5.132 1.00 0.25 O ATOM 572 CB GLU A 243 8.751 6.584 -6.374 1.00 0.39 C ATOM 573 CG GLU A 243 9.005 8.035 -6.727 1.00 0.67 C ATOM 574 CD GLU A 243 8.933 8.291 -8.215 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.771 7.316 -8.975 1.00 1.64 O ATOM 576 OE2 GLU A 243 9.018 9.469 -8.629 1.00 1.56 O ATOM 0 H GLU A 243 10.880 6.677 -5.123 1.00 0.26 H new ATOM 0 HA GLU A 243 8.165 6.965 -4.348 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.472 5.959 -6.901 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.761 6.300 -6.732 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.273 8.663 -6.218 1.00 0.67 H new ATOM 0 HG3 GLU A 243 9.988 8.328 -6.358 1.00 0.67 H new ATOM 583 N VAL A 244 7.386 4.679 -3.852 1.00 0.24 N ATOM 584 CA VAL A 244 6.899 3.352 -3.561 1.00 0.21 C ATOM 585 C VAL A 244 5.817 2.960 -4.546 1.00 0.20 C ATOM 586 O VAL A 244 4.762 3.588 -4.614 1.00 0.23 O ATOM 587 CB VAL A 244 6.372 3.233 -2.110 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.529 3.328 -1.129 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.317 4.304 -1.808 1.00 0.27 C ATOM 0 H VAL A 244 6.855 5.434 -3.419 1.00 0.24 H new ATOM 0 HA VAL A 244 7.741 2.667 -3.661 1.00 0.21 H new ATOM 0 HB VAL A 244 5.892 2.261 -2.000 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.150 3.243 -0.110 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.236 2.521 -1.321 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.031 4.288 -1.251 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.968 4.192 -0.781 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.756 5.293 -1.936 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.476 4.189 -2.492 1.00 0.27 H new ATOM 599 N LYS A 245 6.061 1.880 -5.259 1.00 0.18 N ATOM 600 CA LYS A 245 5.058 1.319 -6.130 1.00 0.19 C ATOM 601 C LYS A 245 4.277 0.302 -5.320 1.00 0.15 C ATOM 602 O LYS A 245 4.793 -0.248 -4.348 1.00 0.16 O ATOM 603 CB LYS A 245 5.697 0.657 -7.357 1.00 0.30 C ATOM 604 CG LYS A 245 4.692 0.265 -8.428 1.00 0.89 C ATOM 605 CD LYS A 245 5.308 -0.620 -9.499 1.00 1.51 C ATOM 606 CE LYS A 245 6.450 0.073 -10.222 1.00 2.00 C ATOM 607 NZ LYS A 245 6.998 -0.770 -11.314 1.00 2.79 N ATOM 0 H LYS A 245 6.947 1.375 -5.250 1.00 0.18 H new ATOM 0 HA LYS A 245 4.400 2.104 -6.502 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.428 1.340 -7.789 1.00 0.30 H new ATOM 0 HB3 LYS A 245 6.241 -0.232 -7.038 1.00 0.30 H new ATOM 0 HG2 LYS A 245 3.855 -0.258 -7.964 1.00 0.89 H new ATOM 0 HG3 LYS A 245 4.288 1.165 -8.891 1.00 0.89 H new ATOM 0 HD2 LYS A 245 5.673 -1.540 -9.043 1.00 1.51 H new ATOM 0 HD3 LYS A 245 4.541 -0.904 -10.220 1.00 1.51 H new ATOM 0 HE2 LYS A 245 6.100 1.020 -10.633 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.242 0.308 -9.511 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.776 -0.265 -11.785 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 7.355 -1.663 -10.918 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.248 -0.973 -12.005 1.00 2.79 H new ATOM 621 N TRP A 246 3.027 0.097 -5.630 1.00 0.14 N ATOM 622 CA TRP A 246 2.262 -0.851 -4.854 1.00 0.13 C ATOM 623 C TRP A 246 1.603 -1.827 -5.801 1.00 0.14 C ATOM 624 O TRP A 246 1.813 -1.750 -7.004 1.00 0.14 O ATOM 625 CB TRP A 246 1.269 -0.151 -3.905 1.00 0.14 C ATOM 626 CG TRP A 246 1.951 0.815 -2.962 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.522 2.005 -3.304 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.173 0.673 -1.540 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.068 2.606 -2.203 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.875 1.818 -1.118 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.854 -0.290 -0.580 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.260 2.027 0.198 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.244 -0.072 0.736 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.940 1.079 1.104 1.00 0.15 C ATOM 0 H TRP A 246 2.524 0.555 -6.390 1.00 0.14 H new ATOM 0 HA TRP A 246 2.925 -1.410 -4.194 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.525 0.386 -4.494 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.734 -0.903 -3.325 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.541 2.415 -4.303 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.546 3.507 -2.200 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.316 -1.185 -0.855 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.797 2.918 0.488 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.003 -0.808 1.488 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.229 1.215 2.136 1.00 0.15 H new ATOM 645 N LEU A 247 1.110 -2.903 -5.270 1.00 0.15 N ATOM 646 CA LEU A 247 0.684 -4.006 -6.096 1.00 0.14 C ATOM 647 C LEU A 247 -0.708 -4.449 -5.651 1.00 0.15 C ATOM 648 O LEU A 247 -0.934 -4.674 -4.483 1.00 0.16 O ATOM 649 CB LEU A 247 1.708 -5.144 -5.933 1.00 0.15 C ATOM 650 CG LEU A 247 2.570 -5.538 -7.145 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.933 -6.682 -7.916 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.822 -4.355 -8.059 1.00 0.17 C ATOM 0 H LEU A 247 0.990 -3.048 -4.267 1.00 0.15 H new ATOM 0 HA LEU A 247 0.631 -3.720 -7.146 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.383 -4.869 -5.122 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.166 -6.033 -5.609 1.00 0.15 H new ATOM 0 HG LEU A 247 3.534 -5.874 -6.763 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.562 -6.941 -8.768 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.831 -7.549 -7.263 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.949 -6.378 -8.271 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.434 -4.672 -8.904 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.871 -3.969 -8.425 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.343 -3.573 -7.507 1.00 0.17 H new ATOM 664 N LYS A 248 -1.605 -4.664 -6.584 1.00 0.19 N ATOM 665 CA LYS A 248 -2.899 -5.258 -6.276 1.00 0.25 C ATOM 666 C LYS A 248 -2.720 -6.759 -6.442 1.00 0.25 C ATOM 667 O LYS A 248 -1.759 -7.146 -7.094 1.00 0.21 O ATOM 668 CB LYS A 248 -3.957 -4.705 -7.243 1.00 0.34 C ATOM 669 CG LYS A 248 -5.400 -5.034 -6.890 1.00 0.77 C ATOM 670 CD LYS A 248 -6.363 -4.195 -7.728 1.00 0.95 C ATOM 671 CE LYS A 248 -7.815 -4.617 -7.545 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.250 -4.550 -6.126 1.00 2.06 N ATOM 0 H LYS A 248 -1.468 -4.438 -7.569 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.236 -5.025 -5.266 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.850 -3.621 -7.290 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.748 -5.089 -8.241 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.589 -6.094 -7.061 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.573 -4.846 -5.830 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.256 -3.145 -7.456 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.093 -4.281 -8.781 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.456 -3.975 -8.149 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.944 -5.634 -7.914 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.252 -4.274 -6.083 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.128 -5.482 -5.681 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.675 -3.847 -5.619 1.00 2.06 H new ATOM 686 N ASN A 249 -3.423 -7.591 -5.676 1.00 0.34 N ATOM 687 CA ASN A 249 -3.103 -9.025 -5.677 1.00 0.40 C ATOM 688 C ASN A 249 -2.899 -9.545 -7.110 1.00 0.35 C ATOM 689 O ASN A 249 -3.810 -9.520 -7.933 1.00 0.35 O ATOM 690 CB ASN A 249 -4.151 -9.872 -4.921 1.00 0.61 C ATOM 691 CG ASN A 249 -5.591 -9.710 -5.398 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.499 -9.518 -4.461 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.900 -9.815 -6.581 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.192 -7.315 -5.065 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.164 -9.135 -5.134 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.874 -10.923 -5.006 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.106 -9.615 -3.863 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.178 -9.963 -7.286 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.879 -9.754 -6.860 1.00 1.19 H new ATOM 700 N GLY A 250 -1.635 -9.784 -7.453 1.00 0.35 N ATOM 701 CA GLY A 250 -1.275 -10.115 -8.826 1.00 0.35 C ATOM 702 C GLY A 250 -1.092 -8.897 -9.735 1.00 0.33 C ATOM 703 O GLY A 250 -0.168 -8.869 -10.547 1.00 0.39 O ATOM 0 H GLY A 250 -0.849 -9.755 -6.803 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.350 -10.692 -8.819 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.048 -10.757 -9.248 1.00 0.35 H new ATOM 707 N GLN A 251 -1.995 -7.923 -9.645 1.00 0.30 N ATOM 708 CA GLN A 251 -1.957 -6.744 -10.520 1.00 0.36 C ATOM 709 C GLN A 251 -0.964 -5.700 -10.012 1.00 0.25 C ATOM 710 O GLN A 251 -0.777 -5.539 -8.820 1.00 0.28 O ATOM 711 CB GLN A 251 -3.355 -6.131 -10.636 1.00 0.52 C ATOM 712 CG GLN A 251 -3.400 -4.852 -11.454 1.00 1.28 C ATOM 713 CD GLN A 251 -4.793 -4.257 -11.556 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.789 -4.977 -11.063 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -4.971 -3.160 -12.086 1.00 2.59 N flip ATOM 0 H GLN A 251 -2.764 -7.923 -8.975 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.623 -7.069 -11.505 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.026 -6.863 -11.087 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.735 -5.924 -9.635 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -2.730 -4.118 -11.006 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.025 -5.056 -12.457 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.177 -2.636 -12.454 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -5.913 -2.775 -12.157 1.00 2.59 H new ATOM 724 N GLU A 252 -0.314 -4.996 -10.912 1.00 0.26 N ATOM 725 CA GLU A 252 0.667 -4.005 -10.501 1.00 0.25 C ATOM 726 C GLU A 252 0.041 -2.622 -10.336 1.00 0.27 C ATOM 727 O GLU A 252 -0.839 -2.229 -11.103 1.00 0.32 O ATOM 728 CB GLU A 252 1.840 -3.995 -11.469 1.00 0.32 C ATOM 729 CG GLU A 252 2.524 -5.350 -11.538 1.00 0.60 C ATOM 730 CD GLU A 252 3.790 -5.326 -12.361 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.772 -4.688 -11.929 1.00 1.60 O ATOM 732 OE2 GLU A 252 3.817 -5.945 -13.443 1.00 1.49 O ATOM 0 H GLU A 252 -0.441 -5.086 -11.920 1.00 0.26 H new ATOM 0 HA GLU A 252 1.047 -4.284 -9.518 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.490 -3.713 -12.462 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.561 -3.239 -11.159 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.759 -5.685 -10.528 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.834 -6.079 -11.963 1.00 0.60 H new ATOM 739 N ILE A 253 0.380 -1.972 -9.226 1.00 0.23 N ATOM 740 CA ILE A 253 -0.249 -0.720 -8.827 1.00 0.27 C ATOM 741 C ILE A 253 0.736 0.458 -8.879 1.00 0.28 C ATOM 742 O ILE A 253 1.660 0.587 -8.057 1.00 0.28 O ATOM 743 CB ILE A 253 -0.881 -0.892 -7.422 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.303 -1.429 -7.539 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.854 0.378 -6.593 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.953 -1.678 -6.199 1.00 0.33 C ATOM 0 H ILE A 253 1.098 -2.299 -8.580 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.039 -0.478 -9.538 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.264 -1.617 -6.891 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.908 -0.719 -8.104 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.289 -2.359 -8.108 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.311 0.188 -5.622 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.178 0.698 -6.452 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.409 1.161 -7.109 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.963 -2.059 -6.350 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.368 -2.410 -5.641 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.997 -0.745 -5.637 1.00 0.33 H new ATOM 758 N GLN A 254 0.536 1.301 -9.882 1.00 0.36 N ATOM 759 CA GLN A 254 1.374 2.468 -10.096 1.00 0.43 C ATOM 760 C GLN A 254 0.731 3.694 -9.464 1.00 0.61 C ATOM 761 O GLN A 254 -0.483 3.874 -9.551 1.00 1.42 O ATOM 762 CB GLN A 254 1.593 2.708 -11.594 1.00 0.70 C ATOM 763 CG GLN A 254 2.201 1.520 -12.332 1.00 1.00 C ATOM 764 CD GLN A 254 1.174 0.479 -12.756 1.00 1.75 C ATOM 765 OE1 GLN A 254 -0.099 0.855 -12.762 1.00 2.63 O flip ATOM 766 NE2 GLN A 254 1.524 -0.647 -13.103 1.00 2.21 N flip ATOM 0 H GLN A 254 -0.211 1.194 -10.568 1.00 0.36 H new ATOM 0 HA GLN A 254 2.342 2.289 -9.628 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.637 2.958 -12.055 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.244 3.573 -11.721 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.726 1.882 -13.216 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.944 1.046 -11.691 1.00 1.00 H new ATOM 0 HE21 GLN A 254 2.511 -0.902 -13.086 1.00 2.21 H new ATOM 0 HE22 GLN A 254 0.827 -1.326 -13.408 1.00 2.21 H new ATOM 775 N MET A 255 1.545 4.508 -8.805 1.00 0.59 N ATOM 776 CA MET A 255 1.058 5.703 -8.118 1.00 0.61 C ATOM 777 C MET A 255 0.251 6.585 -9.068 1.00 0.65 C ATOM 778 O MET A 255 0.608 6.746 -10.236 1.00 0.95 O ATOM 779 CB MET A 255 2.223 6.507 -7.528 1.00 0.95 C ATOM 780 CG MET A 255 3.172 5.689 -6.663 1.00 1.58 C ATOM 781 SD MET A 255 4.336 4.711 -7.641 1.00 2.30 S ATOM 782 CE MET A 255 5.263 6.013 -8.451 1.00 2.61 C ATOM 0 H MET A 255 2.552 4.363 -8.730 1.00 0.59 H new ATOM 0 HA MET A 255 0.410 5.376 -7.305 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.789 6.956 -8.344 1.00 0.95 H new ATOM 0 HB3 MET A 255 1.820 7.325 -6.931 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.728 6.359 -6.007 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.592 5.024 -6.023 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.253 5.643 -8.719 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.737 6.327 -9.353 1.00 2.61 H new ATOM 0 HE3 MET A 255 5.364 6.862 -7.775 1.00 2.61 H new ATOM 792 N SER A 256 -0.876 7.088 -8.585 1.00 0.57 N ATOM 793 CA SER A 256 -1.781 7.878 -9.409 1.00 0.69 C ATOM 794 C SER A 256 -2.459 8.972 -8.585 1.00 1.00 C ATOM 795 O SER A 256 -2.265 9.056 -7.370 1.00 1.47 O ATOM 796 CB SER A 256 -2.838 6.970 -10.045 1.00 0.76 C ATOM 797 OG SER A 256 -2.241 5.897 -10.761 1.00 1.64 O ATOM 0 H SER A 256 -1.187 6.962 -7.622 1.00 0.57 H new ATOM 0 HA SER A 256 -1.197 8.356 -10.195 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.491 6.572 -9.269 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.464 7.555 -10.719 1.00 0.76 H new ATOM 0 HG SER A 256 -1.832 5.269 -10.129 1.00 1.64 H new ATOM 803 N GLY A 257 -3.178 9.858 -9.271 1.00 1.01 N ATOM 804 CA GLY A 257 -3.807 10.992 -8.618 1.00 1.41 C ATOM 805 C GLY A 257 -5.023 10.614 -7.787 1.00 1.28 C ATOM 806 O GLY A 257 -5.227 11.161 -6.702 1.00 1.69 O ATOM 0 H GLY A 257 -3.336 9.808 -10.277 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.076 11.483 -7.976 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.105 11.718 -9.375 1.00 1.41 H new ATOM 810 N SER A 258 -5.876 9.750 -8.326 1.00 1.07 N ATOM 811 CA SER A 258 -7.100 9.363 -7.632 1.00 0.96 C ATOM 812 C SER A 258 -6.871 8.122 -6.769 1.00 0.74 C ATOM 813 O SER A 258 -6.979 8.178 -5.544 1.00 1.14 O ATOM 814 CB SER A 258 -8.223 9.109 -8.641 1.00 1.08 C ATOM 815 OG SER A 258 -8.412 10.235 -9.486 1.00 1.77 O ATOM 0 H SER A 258 -5.745 9.307 -9.235 1.00 1.07 H new ATOM 0 HA SER A 258 -7.393 10.183 -6.976 1.00 0.96 H new ATOM 0 HB2 SER A 258 -7.984 8.233 -9.244 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.150 8.888 -8.111 1.00 1.08 H new ATOM 0 HG SER A 258 -9.133 10.049 -10.123 1.00 1.77 H new ATOM 821 N LYS A 259 -6.464 7.033 -7.403 1.00 0.51 N ATOM 822 CA LYS A 259 -6.117 5.812 -6.689 1.00 0.37 C ATOM 823 C LYS A 259 -4.609 5.696 -6.585 1.00 0.33 C ATOM 824 O LYS A 259 -3.898 6.292 -7.387 1.00 0.45 O ATOM 825 CB LYS A 259 -6.694 4.557 -7.375 1.00 0.48 C ATOM 826 CG LYS A 259 -6.396 4.432 -8.870 1.00 1.11 C ATOM 827 CD LYS A 259 -7.277 5.341 -9.716 1.00 1.59 C ATOM 828 CE LYS A 259 -7.125 5.052 -11.201 1.00 2.02 C ATOM 829 NZ LYS A 259 -7.677 3.722 -11.575 1.00 2.41 N ATOM 0 H LYS A 259 -6.365 6.969 -8.416 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.556 5.872 -5.693 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.303 3.675 -6.869 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -7.775 4.552 -7.235 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -5.349 4.675 -9.050 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -6.541 3.398 -9.181 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.319 5.210 -9.425 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.019 6.382 -9.520 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -7.632 5.828 -11.774 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -6.070 5.094 -11.471 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -7.770 3.663 -12.609 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -7.036 2.974 -11.242 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -8.611 3.598 -11.136 1.00 2.41 H new ATOM 843 N TYR A 260 -4.125 4.902 -5.629 1.00 0.24 N ATOM 844 CA TYR A 260 -2.687 4.664 -5.482 1.00 0.27 C ATOM 845 C TYR A 260 -1.942 5.985 -5.287 1.00 0.27 C ATOM 846 O TYR A 260 -0.985 6.286 -5.997 1.00 0.29 O ATOM 847 CB TYR A 260 -2.123 3.930 -6.709 1.00 0.33 C ATOM 848 CG TYR A 260 -3.054 2.895 -7.310 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.809 2.069 -6.491 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.168 2.731 -8.685 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.651 1.113 -7.019 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.006 1.774 -9.223 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.777 1.025 -8.436 1.00 0.95 C ATOM 854 OH TYR A 260 -5.578 0.012 -8.920 1.00 1.24 O ATOM 0 H TYR A 260 -4.705 4.414 -4.946 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.542 4.038 -4.602 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.877 4.666 -7.475 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.191 3.440 -6.426 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.736 2.177 -5.419 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.591 3.363 -9.344 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.203 0.446 -6.373 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.037 1.631 -10.293 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.593 0.046 -9.899 1.00 1.24 H new ATOM 864 N ILE A 261 -2.405 6.774 -4.339 1.00 0.26 N ATOM 865 CA ILE A 261 -1.826 8.079 -4.065 1.00 0.27 C ATOM 866 C ILE A 261 -0.601 7.943 -3.158 1.00 0.28 C ATOM 867 O ILE A 261 -0.704 7.411 -2.061 1.00 0.35 O ATOM 868 CB ILE A 261 -2.860 8.966 -3.347 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.142 9.104 -4.172 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.279 10.327 -3.028 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.202 9.949 -3.495 1.00 0.39 C ATOM 0 H ILE A 261 -3.192 6.532 -3.736 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.532 8.527 -5.014 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.118 8.477 -2.407 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.898 9.545 -5.139 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.548 8.112 -4.368 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.030 10.933 -2.521 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.410 10.209 -2.380 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.978 10.820 -3.952 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.084 10.006 -4.133 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.473 9.497 -2.541 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.813 10.953 -3.324 1.00 0.39 H new ATOM 883 N PHE A 262 0.535 8.482 -3.566 1.00 0.30 N ATOM 884 CA PHE A 262 1.717 8.438 -2.711 1.00 0.32 C ATOM 885 C PHE A 262 1.637 9.496 -1.607 1.00 0.30 C ATOM 886 O PHE A 262 1.156 10.607 -1.831 1.00 0.37 O ATOM 887 CB PHE A 262 3.012 8.580 -3.532 1.00 0.46 C ATOM 888 CG PHE A 262 3.090 9.807 -4.410 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.208 11.066 -3.842 1.00 0.87 C ATOM 890 CD2 PHE A 262 3.016 9.708 -5.791 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.258 12.197 -4.633 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.070 10.835 -6.588 1.00 1.09 C ATOM 893 CZ PHE A 262 3.278 12.050 -6.045 1.00 1.18 C ATOM 0 H PHE A 262 0.668 8.947 -4.464 1.00 0.30 H new ATOM 0 HA PHE A 262 1.742 7.459 -2.232 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.858 8.591 -2.845 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.123 7.696 -4.161 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.261 11.164 -2.768 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.915 8.736 -6.250 1.00 0.84 H new ATOM 0 HE1 PHE A 262 3.282 13.179 -4.184 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.944 10.741 -7.657 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.459 12.906 -6.679 1.00 1.18 H new ATOM 903 N GLU A 263 2.065 9.124 -0.407 1.00 0.26 N ATOM 904 CA GLU A 263 2.049 10.026 0.743 1.00 0.30 C ATOM 905 C GLU A 263 3.168 9.637 1.708 1.00 0.28 C ATOM 906 O GLU A 263 3.416 8.452 1.924 1.00 0.33 O ATOM 907 CB GLU A 263 0.688 9.966 1.446 1.00 0.37 C ATOM 908 CG GLU A 263 0.586 10.848 2.685 1.00 0.56 C ATOM 909 CD GLU A 263 0.644 12.334 2.377 1.00 1.07 C ATOM 910 OE1 GLU A 263 0.774 12.707 1.193 1.00 1.79 O ATOM 911 OE2 GLU A 263 0.559 13.139 3.325 1.00 1.73 O ATOM 0 H GLU A 263 2.431 8.194 -0.202 1.00 0.26 H new ATOM 0 HA GLU A 263 2.211 11.049 0.402 1.00 0.30 H new ATOM 0 HB2 GLU A 263 -0.087 10.261 0.739 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.484 8.934 1.731 1.00 0.37 H new ATOM 0 HG2 GLU A 263 -0.348 10.628 3.202 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.396 10.595 3.369 1.00 0.56 H new ATOM 918 N SER A 264 3.946 10.617 2.144 1.00 0.34 N ATOM 919 CA SER A 264 5.139 10.334 2.931 1.00 0.36 C ATOM 920 C SER A 264 5.008 10.820 4.373 1.00 0.34 C ATOM 921 O SER A 264 4.610 11.960 4.619 1.00 0.39 O ATOM 922 CB SER A 264 6.349 10.997 2.273 1.00 0.46 C ATOM 923 OG SER A 264 6.341 10.784 0.870 1.00 1.41 O ATOM 0 H SER A 264 3.776 11.607 1.969 1.00 0.34 H new ATOM 0 HA SER A 264 5.268 9.252 2.961 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.342 12.067 2.483 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.267 10.594 2.701 1.00 0.46 H new ATOM 0 HG SER A 264 7.123 11.218 0.469 1.00 1.41 H new ATOM 929 N ILE A 265 5.452 9.988 5.310 1.00 0.31 N ATOM 930 CA ILE A 265 5.532 10.371 6.713 1.00 0.34 C ATOM 931 C ILE A 265 6.929 10.037 7.234 1.00 0.38 C ATOM 932 O ILE A 265 7.210 8.890 7.595 1.00 0.42 O ATOM 933 CB ILE A 265 4.476 9.625 7.567 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.065 9.877 7.025 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.571 10.054 9.026 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.992 9.071 7.728 1.00 1.31 C ATOM 0 H ILE A 265 5.764 9.036 5.119 1.00 0.31 H new ATOM 0 HA ILE A 265 5.335 11.440 6.792 1.00 0.34 H new ATOM 0 HB ILE A 265 4.680 8.556 7.506 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.832 10.938 7.121 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.046 9.641 5.961 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.822 9.520 9.612 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.565 9.822 9.409 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.394 11.127 9.102 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.020 9.301 7.292 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.200 8.008 7.611 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.983 9.324 8.788 1.00 1.31 H new ATOM 948 N GLY A 266 7.833 11.006 7.152 1.00 0.48 N ATOM 949 CA GLY A 266 9.224 10.737 7.464 1.00 0.65 C ATOM 950 C GLY A 266 9.792 9.688 6.529 1.00 0.86 C ATOM 951 O GLY A 266 9.628 9.785 5.309 1.00 1.93 O ATOM 0 H GLY A 266 7.630 11.967 6.877 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.804 11.656 7.382 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.311 10.396 8.496 1.00 0.65 H new ATOM 955 N ALA A 267 10.268 8.593 7.098 1.00 0.48 N ATOM 956 CA ALA A 267 10.633 7.434 6.304 1.00 0.39 C ATOM 957 C ALA A 267 9.403 6.636 5.956 1.00 0.30 C ATOM 958 O ALA A 267 9.357 5.967 4.925 1.00 0.32 O ATOM 959 CB ALA A 267 11.587 6.525 7.040 1.00 0.44 C ATOM 0 H ALA A 267 10.410 8.483 8.102 1.00 0.48 H new ATOM 0 HA ALA A 267 11.121 7.807 5.404 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.834 5.670 6.410 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.498 7.073 7.282 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.119 6.174 7.960 1.00 0.44 H new ATOM 965 N LYS A 268 8.460 6.605 6.884 1.00 0.26 N ATOM 966 CA LYS A 268 7.282 5.785 6.723 1.00 0.25 C ATOM 967 C LYS A 268 6.481 6.265 5.529 1.00 0.29 C ATOM 968 O LYS A 268 6.180 7.451 5.390 1.00 0.47 O ATOM 969 CB LYS A 268 6.435 5.797 7.994 1.00 0.28 C ATOM 970 CG LYS A 268 7.128 5.165 9.193 1.00 0.30 C ATOM 971 CD LYS A 268 6.293 5.342 10.453 1.00 0.41 C ATOM 972 CE LYS A 268 7.028 4.876 11.700 1.00 1.20 C ATOM 973 NZ LYS A 268 7.172 3.399 11.749 1.00 2.00 N ATOM 0 H LYS A 268 8.492 7.139 7.753 1.00 0.26 H new ATOM 0 HA LYS A 268 7.591 4.755 6.543 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.174 6.827 8.237 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.501 5.268 7.804 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.293 4.104 9.006 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.109 5.620 9.334 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.024 6.392 10.564 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.363 4.783 10.352 1.00 0.41 H new ATOM 0 HE2 LYS A 268 8.015 5.337 11.731 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.490 5.216 12.585 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.528 3.011 12.467 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.937 2.996 10.819 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.152 3.154 11.995 1.00 2.00 H new ATOM 987 N ARG A 269 6.268 5.367 4.598 1.00 0.16 N ATOM 988 CA ARG A 269 5.613 5.715 3.368 1.00 0.16 C ATOM 989 C ARG A 269 4.179 5.223 3.375 1.00 0.18 C ATOM 990 O ARG A 269 3.834 4.299 4.110 1.00 0.17 O ATOM 991 CB ARG A 269 6.377 5.164 2.166 1.00 0.20 C ATOM 992 CG ARG A 269 5.863 5.692 0.849 1.00 0.53 C ATOM 993 CD ARG A 269 5.937 7.212 0.788 1.00 0.79 C ATOM 994 NE ARG A 269 7.300 7.718 0.957 1.00 0.69 N ATOM 995 CZ ARG A 269 8.041 8.224 -0.026 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.547 8.327 -1.255 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.271 8.650 0.228 1.00 1.17 N ATOM 0 H ARG A 269 6.541 4.387 4.673 1.00 0.16 H new ATOM 0 HA ARG A 269 5.601 6.801 3.281 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.432 5.417 2.266 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.309 4.076 2.167 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.446 5.266 0.033 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.831 5.371 0.705 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.543 7.553 -0.170 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.298 7.634 1.564 1.00 0.79 H new ATOM 0 HE ARG A 269 7.709 7.680 1.891 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.595 8.017 -1.450 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.120 8.716 -2.004 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.646 8.589 1.174 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.842 9.038 -0.523 1.00 1.17 H new ATOM 1011 N THR A 270 3.314 5.961 2.712 1.00 0.18 N ATOM 1012 CA THR A 270 1.904 5.663 2.730 1.00 0.18 C ATOM 1013 C THR A 270 1.291 5.737 1.332 1.00 0.19 C ATOM 1014 O THR A 270 1.525 6.689 0.580 1.00 0.22 O ATOM 1015 CB THR A 270 1.169 6.622 3.684 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.601 6.385 5.031 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.333 6.450 3.586 1.00 0.24 C ATOM 0 H THR A 270 3.568 6.775 2.152 1.00 0.18 H new ATOM 0 HA THR A 270 1.788 4.640 3.088 1.00 0.18 H new ATOM 0 HB THR A 270 1.410 7.645 3.395 1.00 0.20 H new ATOM 0 HG1 THR A 270 0.998 5.742 5.460 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.824 7.141 4.272 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.657 6.659 2.567 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.600 5.427 3.849 1.00 0.24 H new ATOM 1025 N LEU A 271 0.509 4.718 0.997 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.184 4.668 -0.280 1.00 0.17 C ATOM 1027 C LEU A 271 -1.676 4.926 -0.068 1.00 0.16 C ATOM 1028 O LEU A 271 -2.391 4.060 0.414 1.00 0.17 O ATOM 1029 CB LEU A 271 0.029 3.296 -0.928 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.392 3.145 -2.396 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.882 2.863 -2.529 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.002 4.379 -3.191 1.00 0.49 C ATOM 0 H LEU A 271 0.340 3.911 1.598 1.00 0.17 H new ATOM 0 HA LEU A 271 0.216 5.437 -0.940 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.087 3.046 -0.852 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.516 2.556 -0.342 1.00 0.20 H new ATOM 0 HG LEU A 271 0.136 2.285 -2.807 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.141 2.763 -3.583 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.125 1.938 -2.006 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.448 3.686 -2.093 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.304 4.255 -4.230 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.490 5.256 -2.770 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.083 4.512 -3.144 1.00 0.49 H new ATOM 1044 N THR A 272 -2.143 6.104 -0.421 1.00 0.18 N ATOM 1045 CA THR A 272 -3.546 6.432 -0.261 1.00 0.21 C ATOM 1046 C THR A 272 -4.372 5.797 -1.377 1.00 0.22 C ATOM 1047 O THR A 272 -4.161 6.066 -2.559 1.00 0.29 O ATOM 1048 CB THR A 272 -3.761 7.952 -0.267 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.600 8.607 0.267 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.980 8.325 0.558 1.00 0.30 C ATOM 0 H THR A 272 -1.574 6.851 -0.820 1.00 0.18 H new ATOM 0 HA THR A 272 -3.872 6.036 0.701 1.00 0.21 H new ATOM 0 HB THR A 272 -3.924 8.275 -1.295 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.740 9.577 0.260 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.114 9.407 0.540 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.864 7.843 0.140 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.838 7.994 1.587 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.295 4.940 -1.000 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.145 4.266 -1.957 1.00 0.26 C ATOM 1060 C ILE A 273 -7.578 4.770 -1.829 1.00 0.28 C ATOM 1061 O ILE A 273 -8.153 4.800 -0.732 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.062 2.720 -1.805 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.537 2.102 -3.101 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.399 2.088 -1.427 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.395 2.409 -4.309 1.00 0.86 C ATOM 0 H ILE A 273 -5.477 4.692 -0.028 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.789 4.501 -2.960 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.374 2.514 -0.985 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.525 2.464 -3.283 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.471 1.021 -2.978 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.278 1.009 -1.335 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.739 2.497 -0.476 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.136 2.306 -2.200 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.962 1.939 -5.192 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.401 2.022 -4.148 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.441 3.488 -4.458 1.00 0.86 H new ATOM 1077 N SER A 274 -8.092 5.286 -2.936 1.00 0.33 N ATOM 1078 CA SER A 274 -9.406 5.890 -2.964 1.00 0.39 C ATOM 1079 C SER A 274 -10.408 4.961 -3.645 1.00 0.45 C ATOM 1080 O SER A 274 -10.093 4.358 -4.675 1.00 0.50 O ATOM 1081 CB SER A 274 -9.350 7.230 -3.694 1.00 0.52 C ATOM 1082 OG SER A 274 -8.296 8.035 -3.189 1.00 1.13 O ATOM 0 H SER A 274 -7.608 5.295 -3.834 1.00 0.33 H new ATOM 0 HA SER A 274 -9.733 6.058 -1.938 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.206 7.062 -4.761 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.300 7.752 -3.579 1.00 0.52 H new ATOM 0 HG SER A 274 -7.691 8.278 -3.920 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.606 4.853 -3.065 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.668 3.998 -3.597 1.00 0.62 C ATOM 1090 C GLN A 275 -12.216 2.546 -3.654 1.00 0.62 C ATOM 1091 O GLN A 275 -12.051 1.974 -4.734 1.00 0.74 O ATOM 1092 CB GLN A 275 -13.129 4.470 -4.982 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.726 5.867 -4.976 1.00 0.90 C ATOM 1094 CD GLN A 275 -14.386 6.244 -6.291 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.524 5.287 -7.199 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -14.798 7.387 -6.478 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.866 5.355 -2.216 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.518 4.071 -2.918 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -12.281 4.449 -5.666 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.868 3.769 -5.369 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.462 5.937 -4.175 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.941 6.589 -4.751 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -14.674 8.098 -5.757 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -15.263 7.624 -7.354 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.091 1.935 -2.486 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.737 0.529 -2.389 1.00 0.69 C ATOM 1107 C CYS A 276 -12.376 0.012 -1.133 1.00 0.75 C ATOM 1108 O CYS A 276 -11.748 -0.616 -0.282 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.219 0.327 -2.364 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.398 0.788 -3.906 1.00 2.00 S ATOM 0 H CYS A 276 -12.231 2.395 -1.587 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.094 -0.017 -3.262 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.797 0.914 -1.549 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.004 -0.719 -2.147 1.00 0.80 H new ATOM 0 HG CYS A 276 -10.268 1.304 -4.723 1.00 2.00 H new ATOM 1116 N SER A 277 -13.596 0.467 -0.966 1.00 0.54 N ATOM 1117 CA SER A 277 -14.350 0.231 0.220 1.00 0.52 C ATOM 1118 C SER A 277 -15.053 -1.132 0.161 1.00 0.48 C ATOM 1119 O SER A 277 -14.416 -2.147 -0.137 1.00 0.47 O ATOM 1120 CB SER A 277 -15.336 1.374 0.378 1.00 0.56 C ATOM 1121 OG SER A 277 -15.944 1.692 -0.861 1.00 0.63 O ATOM 0 H SER A 277 -14.090 1.019 -1.667 1.00 0.54 H new ATOM 0 HA SER A 277 -13.694 0.196 1.090 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.102 1.101 1.104 1.00 0.56 H new ATOM 0 HB3 SER A 277 -14.822 2.251 0.771 1.00 0.56 H new ATOM 0 HG SER A 277 -16.577 2.430 -0.735 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.355 -1.153 0.452 1.00 0.51 N ATOM 1128 CA LEU A 278 -17.134 -2.391 0.491 1.00 0.54 C ATOM 1129 C LEU A 278 -17.382 -2.961 -0.902 1.00 0.58 C ATOM 1130 O LEU A 278 -18.529 -3.172 -1.299 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.481 -2.155 1.177 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.512 -2.334 2.698 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -18.175 -3.767 3.077 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.563 -1.366 3.379 1.00 0.79 C ATOM 0 H LEU A 278 -16.897 -0.316 0.666 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.546 -3.113 1.057 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.809 -1.142 0.946 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -19.211 -2.835 0.738 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.523 -2.115 3.041 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -18.203 -3.873 4.162 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.903 -4.443 2.628 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -17.178 -4.015 2.714 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.605 -1.514 4.458 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.547 -1.544 3.027 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.855 -0.343 3.142 1.00 0.79 H new ATOM 1146 N ALA A 279 -16.312 -3.230 -1.626 1.00 0.53 N ATOM 1147 CA ALA A 279 -16.405 -3.809 -2.953 1.00 0.61 C ATOM 1148 C ALA A 279 -15.054 -4.342 -3.392 1.00 0.58 C ATOM 1149 O ALA A 279 -14.945 -5.482 -3.840 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.917 -2.787 -3.955 1.00 0.71 C ATOM 0 H ALA A 279 -15.357 -3.054 -1.313 1.00 0.53 H new ATOM 0 HA ALA A 279 -17.114 -4.636 -2.914 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.978 -3.245 -4.942 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.906 -2.444 -3.652 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -16.234 -1.938 -3.990 1.00 0.71 H new ATOM 1156 N ASP A 280 -14.027 -3.506 -3.278 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.690 -3.894 -3.706 1.00 0.59 C ATOM 1158 C ASP A 280 -12.147 -5.018 -2.836 1.00 0.50 C ATOM 1159 O ASP A 280 -11.760 -6.057 -3.370 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.732 -2.705 -3.675 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.455 -2.983 -4.443 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.525 -3.135 -5.684 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -9.381 -3.073 -3.818 1.00 1.84 O ATOM 0 H ASP A 280 -14.095 -2.563 -2.896 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.767 -4.249 -4.734 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -12.226 -1.830 -4.098 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -11.487 -2.464 -2.641 1.00 0.70 H new ATOM 1168 N ASP A 281 -12.234 -4.817 -1.502 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.850 -5.808 -0.464 1.00 0.33 C ATOM 1170 C ASP A 281 -10.994 -6.958 -1.014 1.00 0.34 C ATOM 1171 O ASP A 281 -11.525 -7.928 -1.560 1.00 0.43 O ATOM 1172 CB ASP A 281 -13.120 -6.361 0.191 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.840 -7.288 1.358 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.353 -6.809 2.403 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.118 -8.503 1.240 1.00 0.81 O ATOM 0 H ASP A 281 -12.580 -3.943 -1.105 1.00 0.37 H new ATOM 0 HA ASP A 281 -11.232 -5.291 0.270 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.734 -5.529 0.536 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.702 -6.897 -0.558 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.672 -6.799 -0.974 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.781 -7.754 -1.640 1.00 0.37 C ATOM 1182 C ALA A 282 -7.414 -7.854 -0.957 1.00 0.35 C ATOM 1183 O ALA A 282 -7.340 -8.145 0.232 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.622 -7.356 -3.098 1.00 0.48 C ATOM 0 H ALA A 282 -9.198 -6.032 -0.497 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.235 -8.743 -1.571 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.960 -8.063 -3.598 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.597 -7.364 -3.586 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.195 -6.355 -3.157 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.336 -7.682 -1.729 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.978 -7.736 -1.192 1.00 0.17 C ATOM 1192 C ALA A 283 -4.057 -6.834 -2.007 1.00 0.15 C ATOM 1193 O ALA A 283 -4.073 -6.881 -3.238 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.451 -9.166 -1.179 1.00 0.22 C ATOM 0 H ALA A 283 -6.381 -7.504 -2.732 1.00 0.22 H new ATOM 0 HA ALA A 283 -5.001 -7.379 -0.162 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.439 -9.177 -0.775 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -5.097 -9.786 -0.557 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.440 -9.559 -2.196 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.261 -6.016 -1.324 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.321 -5.115 -1.990 1.00 0.13 C ATOM 1202 C TYR A 284 -0.890 -5.368 -1.501 1.00 0.14 C ATOM 1203 O TYR A 284 -0.555 -5.080 -0.361 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.696 -3.624 -1.766 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.923 -3.141 -2.537 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.910 -4.027 -2.940 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.080 -1.795 -2.882 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.011 -3.606 -3.654 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.182 -1.370 -3.599 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.143 -2.280 -3.982 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.238 -1.865 -4.699 1.00 0.41 O ATOM 0 H TYR A 284 -3.247 -5.958 -0.306 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.378 -5.323 -3.058 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -2.869 -3.465 -0.702 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.844 -3.005 -2.046 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.814 -5.073 -2.688 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.330 -1.078 -2.584 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.767 -4.317 -3.954 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.290 -0.327 -3.859 1.00 0.32 H new ATOM 0 HH TYR A 284 -8.054 -2.068 -4.196 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.024 -5.778 -2.415 1.00 0.13 N ATOM 1222 CA GLN A 285 1.395 -5.893 -2.137 1.00 0.13 C ATOM 1223 C GLN A 285 2.041 -4.514 -2.231 1.00 0.12 C ATOM 1224 O GLN A 285 1.457 -3.595 -2.800 1.00 0.13 O ATOM 1225 CB GLN A 285 2.081 -6.830 -3.142 1.00 0.12 C ATOM 1226 CG GLN A 285 1.489 -8.227 -3.228 1.00 0.15 C ATOM 1227 CD GLN A 285 0.369 -8.363 -4.247 1.00 0.21 C ATOM 1228 OE1 GLN A 285 0.141 -7.332 -5.046 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.268 -9.410 -4.336 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.286 -6.039 -3.366 1.00 0.13 H new ATOM 0 HA GLN A 285 1.514 -6.305 -1.135 1.00 0.13 H new ATOM 0 HB2 GLN A 285 2.037 -6.372 -4.130 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.135 -6.914 -2.876 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.282 -8.932 -3.479 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.109 -8.511 -2.246 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.066 -10.185 -3.704 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -0.998 -9.504 -5.042 1.00 0.18 H new ATOM 1238 N CYS A 286 3.275 -4.386 -1.770 1.00 0.14 N ATOM 1239 CA CYS A 286 4.001 -3.132 -1.952 1.00 0.19 C ATOM 1240 C CYS A 286 5.357 -3.384 -2.533 1.00 0.19 C ATOM 1241 O CYS A 286 5.887 -4.478 -2.391 1.00 0.20 O ATOM 1242 CB CYS A 286 4.126 -2.381 -0.666 1.00 0.28 C ATOM 1243 SG CYS A 286 5.224 -3.107 0.553 1.00 1.00 S ATOM 0 H CYS A 286 3.789 -5.116 -1.277 1.00 0.14 H new ATOM 0 HA CYS A 286 3.427 -2.520 -2.648 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.475 -1.372 -0.888 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.134 -2.285 -0.224 1.00 0.28 H new ATOM 0 HG CYS A 286 4.761 -4.265 0.919 1.00 1.00 H new ATOM 1249 N VAL A 287 5.778 -2.480 -3.398 1.00 0.20 N ATOM 1250 CA VAL A 287 6.887 -2.770 -4.271 1.00 0.21 C ATOM 1251 C VAL A 287 7.760 -1.545 -4.543 1.00 0.22 C ATOM 1252 O VAL A 287 7.282 -0.457 -4.856 1.00 0.24 O ATOM 1253 CB VAL A 287 6.345 -3.408 -5.580 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.819 -3.335 -5.600 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.932 -2.769 -6.831 1.00 0.27 C ATOM 0 H VAL A 287 5.371 -1.551 -3.510 1.00 0.20 H new ATOM 0 HA VAL A 287 7.545 -3.482 -3.773 1.00 0.21 H new ATOM 0 HB VAL A 287 6.659 -4.452 -5.589 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.445 -3.784 -6.520 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.418 -3.876 -4.743 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.504 -2.293 -5.551 1.00 0.18 H new ATOM 0 HG21 VAL A 287 6.518 -3.254 -7.715 1.00 0.27 H new ATOM 0 HG22 VAL A 287 6.683 -1.708 -6.849 1.00 0.27 H new ATOM 0 HG23 VAL A 287 8.016 -2.887 -6.826 1.00 0.27 H new ATOM 1265 N VAL A 288 9.055 -1.746 -4.474 1.00 0.24 N ATOM 1266 CA VAL A 288 9.998 -0.697 -4.805 1.00 0.26 C ATOM 1267 C VAL A 288 11.006 -1.232 -5.807 1.00 0.33 C ATOM 1268 O VAL A 288 11.688 -2.225 -5.541 1.00 0.37 O ATOM 1269 CB VAL A 288 10.717 -0.155 -3.552 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.915 0.679 -3.942 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.770 0.678 -2.705 1.00 0.36 C ATOM 0 H VAL A 288 9.483 -2.628 -4.191 1.00 0.24 H new ATOM 0 HA VAL A 288 9.448 0.136 -5.242 1.00 0.26 H new ATOM 0 HB VAL A 288 11.055 -1.010 -2.967 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.407 1.051 -3.044 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.614 0.067 -4.512 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.589 1.521 -4.552 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.298 1.050 -1.827 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.403 1.520 -3.291 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.928 0.062 -2.388 1.00 0.36 H new ATOM 1281 N GLY A 289 10.990 -0.657 -7.003 1.00 0.43 N ATOM 1282 CA GLY A 289 11.815 -1.154 -8.090 1.00 0.57 C ATOM 1283 C GLY A 289 11.247 -2.417 -8.715 1.00 0.73 C ATOM 1284 O GLY A 289 11.067 -2.491 -9.930 1.00 1.51 O ATOM 0 H GLY A 289 10.416 0.151 -7.242 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.907 -0.383 -8.855 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.819 -1.356 -7.718 1.00 0.57 H new ATOM 1288 N GLY A 290 10.914 -3.386 -7.875 1.00 0.41 N ATOM 1289 CA GLY A 290 10.341 -4.630 -8.343 1.00 0.41 C ATOM 1290 C GLY A 290 9.862 -5.497 -7.197 1.00 0.37 C ATOM 1291 O GLY A 290 8.876 -6.221 -7.328 1.00 0.64 O ATOM 0 H GLY A 290 11.033 -3.330 -6.864 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.506 -4.417 -9.011 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.084 -5.175 -8.925 1.00 0.41 H new ATOM 1295 N GLU A 291 10.596 -5.453 -6.090 1.00 0.27 N ATOM 1296 CA GLU A 291 10.287 -6.266 -4.920 1.00 0.22 C ATOM 1297 C GLU A 291 8.915 -5.926 -4.348 1.00 0.16 C ATOM 1298 O GLU A 291 8.689 -4.798 -3.928 1.00 0.19 O ATOM 1299 CB GLU A 291 11.356 -6.026 -3.852 1.00 0.26 C ATOM 1300 CG GLU A 291 12.489 -7.037 -3.893 1.00 0.53 C ATOM 1301 CD GLU A 291 12.055 -8.418 -3.440 1.00 1.48 C ATOM 1302 OE1 GLU A 291 10.898 -8.573 -2.986 1.00 2.19 O ATOM 1303 OE2 GLU A 291 12.879 -9.352 -3.506 1.00 2.11 O ATOM 0 H GLU A 291 11.416 -4.857 -5.979 1.00 0.27 H new ATOM 0 HA GLU A 291 10.275 -7.313 -5.222 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.768 -5.025 -3.980 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.888 -6.055 -2.868 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.880 -7.098 -4.909 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.304 -6.690 -3.258 1.00 0.53 H new ATOM 1310 N LYS A 292 8.047 -6.935 -4.249 1.00 0.18 N ATOM 1311 CA LYS A 292 6.697 -6.771 -3.709 1.00 0.16 C ATOM 1312 C LYS A 292 6.461 -7.676 -2.496 1.00 0.17 C ATOM 1313 O LYS A 292 6.822 -8.853 -2.504 1.00 0.29 O ATOM 1314 CB LYS A 292 5.660 -7.056 -4.799 1.00 0.18 C ATOM 1315 CG LYS A 292 5.929 -8.323 -5.589 1.00 0.23 C ATOM 1316 CD LYS A 292 4.989 -8.437 -6.771 1.00 0.29 C ATOM 1317 CE LYS A 292 5.475 -9.479 -7.765 1.00 0.49 C ATOM 1318 NZ LYS A 292 4.624 -9.524 -8.982 1.00 1.33 N ATOM 0 H LYS A 292 8.261 -7.889 -4.541 1.00 0.18 H new ATOM 0 HA LYS A 292 6.591 -5.739 -3.374 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.675 -7.129 -4.339 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.629 -6.211 -5.487 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.961 -8.325 -5.939 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.811 -9.192 -4.941 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.992 -8.703 -6.421 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.906 -7.470 -7.267 1.00 0.29 H new ATOM 0 HE2 LYS A 292 6.504 -9.257 -8.049 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.480 -10.460 -7.289 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.989 -10.247 -9.634 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.647 -9.761 -8.714 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.639 -8.596 -9.451 1.00 1.33 H new ATOM 1332 N CYS A 293 5.785 -7.130 -1.486 1.00 0.16 N ATOM 1333 CA CYS A 293 5.380 -7.901 -0.312 1.00 0.18 C ATOM 1334 C CYS A 293 3.874 -7.787 -0.174 1.00 0.15 C ATOM 1335 O CYS A 293 3.329 -6.687 -0.292 1.00 0.14 O ATOM 1336 CB CYS A 293 6.060 -7.400 0.978 1.00 0.28 C ATOM 1337 SG CYS A 293 5.495 -5.804 1.557 1.00 1.55 S ATOM 0 H CYS A 293 5.505 -6.150 -1.458 1.00 0.16 H new ATOM 0 HA CYS A 293 5.687 -8.938 -0.451 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.897 -8.135 1.766 1.00 0.28 H new ATOM 0 HB3 CYS A 293 7.135 -7.349 0.808 1.00 0.28 H new ATOM 0 HG CYS A 293 5.908 -4.877 0.745 1.00 1.55 H new ATOM 1343 N SER A 294 3.198 -8.920 -0.087 1.00 0.17 N ATOM 1344 CA SER A 294 1.746 -8.940 -0.132 1.00 0.18 C ATOM 1345 C SER A 294 1.119 -8.613 1.206 1.00 0.17 C ATOM 1346 O SER A 294 1.568 -9.071 2.258 1.00 0.20 O ATOM 1347 CB SER A 294 1.260 -10.303 -0.621 1.00 0.27 C ATOM 1348 OG SER A 294 1.923 -11.348 0.063 1.00 0.61 O ATOM 0 H SER A 294 3.631 -9.838 0.015 1.00 0.17 H new ATOM 0 HA SER A 294 1.433 -8.163 -0.830 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.184 -10.387 -0.467 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.437 -10.394 -1.693 1.00 0.27 H new ATOM 0 HG SER A 294 1.343 -11.693 0.774 1.00 0.61 H new ATOM 1354 N THR A 295 0.050 -7.849 1.146 1.00 0.17 N ATOM 1355 CA THR A 295 -0.719 -7.521 2.319 1.00 0.15 C ATOM 1356 C THR A 295 -2.194 -7.555 1.957 1.00 0.15 C ATOM 1357 O THR A 295 -2.576 -7.149 0.864 1.00 0.15 O ATOM 1358 CB THR A 295 -0.318 -6.135 2.888 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.274 -6.206 4.313 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.278 -5.030 2.469 1.00 0.20 C ATOM 0 H THR A 295 -0.307 -7.440 0.283 1.00 0.17 H new ATOM 0 HA THR A 295 -0.516 -8.254 3.100 1.00 0.15 H new ATOM 0 HB THR A 295 0.662 -5.886 2.481 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.428 -5.314 4.690 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.950 -4.082 2.895 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.293 -4.954 1.382 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.280 -5.262 2.830 1.00 0.20 H new ATOM 1368 N GLU A 296 -3.000 -8.173 2.793 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.415 -8.298 2.495 1.00 0.15 C ATOM 1370 C GLU A 296 -5.110 -6.972 2.750 1.00 0.14 C ATOM 1371 O GLU A 296 -4.612 -6.130 3.495 1.00 0.19 O ATOM 1372 CB GLU A 296 -5.048 -9.408 3.319 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.245 -10.692 3.300 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.957 -11.837 3.986 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -6.001 -12.292 3.471 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.468 -12.293 5.042 1.00 0.76 O ATOM 0 H GLU A 296 -2.707 -8.593 3.675 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.531 -8.561 1.444 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.158 -9.070 4.349 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -6.050 -9.607 2.940 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -4.034 -10.968 2.267 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.285 -10.522 3.788 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.193 -6.748 2.048 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.914 -5.499 2.136 1.00 0.15 C ATOM 1385 C LEU A 297 -8.370 -5.779 2.474 1.00 0.15 C ATOM 1386 O LEU A 297 -9.136 -6.245 1.623 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.808 -4.752 0.803 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.288 -3.306 0.823 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.445 -2.491 1.785 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.230 -2.708 -0.575 1.00 0.29 C ATOM 0 H LEU A 297 -6.600 -7.423 1.401 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.483 -4.878 2.921 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.767 -4.767 0.480 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.382 -5.297 0.054 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.324 -3.285 1.162 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -6.796 -1.459 1.792 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.530 -2.910 2.788 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.403 -2.517 1.468 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.576 -1.675 -0.543 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.203 -2.736 -0.940 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.869 -3.284 -1.244 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.740 -5.495 3.712 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.102 -5.703 4.172 1.00 0.19 C ATOM 1404 C PHE A 298 -10.750 -4.364 4.455 1.00 0.19 C ATOM 1405 O PHE A 298 -10.147 -3.503 5.086 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.135 -6.555 5.447 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.727 -7.988 5.254 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.418 -8.324 4.955 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.662 -9.002 5.379 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -8.048 -9.644 4.789 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.299 -10.323 5.212 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.990 -10.645 4.917 1.00 0.45 C ATOM 0 H PHE A 298 -8.111 -5.117 4.420 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.647 -6.230 3.389 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.478 -6.101 6.189 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.144 -6.531 5.858 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.677 -7.545 4.850 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.688 -8.756 5.610 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -7.023 -9.893 4.559 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -11.038 -11.104 5.312 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.703 -11.678 4.787 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.953 -4.161 3.962 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.619 -2.899 4.190 1.00 0.28 C ATOM 1424 C VAL A 299 -13.490 -2.938 5.441 1.00 0.32 C ATOM 1425 O VAL A 299 -14.253 -3.881 5.670 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.453 -2.443 2.978 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.587 -3.400 2.681 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.983 -1.040 3.210 1.00 0.35 C ATOM 0 H VAL A 299 -12.480 -4.839 3.412 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.827 -2.166 4.341 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.799 -2.438 2.106 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -15.150 -3.041 1.819 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -14.182 -4.388 2.464 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.248 -3.461 3.546 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.571 -0.726 2.348 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.611 -1.031 4.101 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.148 -0.354 3.348 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.405 -1.863 6.201 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.231 -1.641 7.362 1.00 0.41 C ATOM 1440 C LYS A 300 -15.292 -0.608 7.020 1.00 0.40 C ATOM 1441 O LYS A 300 -14.985 0.426 6.416 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.369 -1.142 8.518 1.00 0.48 C ATOM 1443 CG LYS A 300 -12.377 -2.173 9.027 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.065 -3.441 9.503 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.942 -3.190 10.718 1.00 2.32 C ATOM 1446 NZ LYS A 300 -14.610 -4.433 11.174 1.00 3.03 N ATOM 0 H LYS A 300 -12.745 -1.107 6.021 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.711 -2.573 7.660 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.825 -0.254 8.197 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.018 -0.838 9.339 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -11.672 -2.420 8.233 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -11.798 -1.746 9.846 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -13.673 -3.849 8.695 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -12.313 -4.192 9.747 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -13.336 -2.784 11.528 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -14.694 -2.439 10.476 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -15.200 -4.225 12.005 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -15.208 -4.807 10.409 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.891 -5.140 11.428 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.537 -0.901 7.352 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.626 0.008 7.042 1.00 0.57 C ATOM 1462 C GLU A 301 -17.493 1.296 7.845 1.00 0.65 C ATOM 1463 O GLU A 301 -17.746 2.380 7.284 1.00 1.41 O ATOM 1464 CB GLU A 301 -18.976 -0.643 7.322 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.307 -1.788 6.382 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.692 -2.351 6.622 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.427 -1.800 7.469 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -21.050 -3.356 5.972 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.127 1.216 9.038 1.00 1.20 O ATOM 0 H GLU A 301 -16.818 -1.755 7.833 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.571 0.247 5.980 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -18.986 -1.012 8.348 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.757 0.114 7.248 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.232 -1.441 5.351 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.569 -2.581 6.506 1.00 0.66 H new TER 1476 GLU A 301