USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 35 GLN :FLIP amide:sc= -0.185 F(o=-2.8,f=-0.96) USER MOD Set 1.2: A 37 TYR OH : rot -158:sc= -0.776 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 151:sc= 0.188 (180deg=0.0582) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0.0204 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0407) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.075) USER MOD Single : A 23 ASN : amide:sc= -2.51! C(o=-2.5!,f=-5.8!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 26 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.31) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.6 K(o=-0.6,f=-2.9) USER MOD Single : A 50 CYS SG : rot 30:sc= 0.0276 USER MOD Single : A 51 MET CE :methyl -164:sc= -3.21! (180deg=-3.93!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -6.91! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -27:sc= -0.83 USER MOD Single : A 90 TYR OH : rot -117:sc= 0.472! USER MOD Single : A 93 MET CE :methyl -161:sc= -9.48! (180deg=-9.75!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.8!) USER MOD Single : A 100 MET CE :methyl -119:sc= -0.222 (180deg=-0.847) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -5.923 8.915 8.733 1.00 0.00 N ATOM 81 CA ILE A 9 -7.268 8.435 8.464 1.00 0.00 C ATOM 82 C ILE A 9 -7.356 6.950 8.821 1.00 0.00 C ATOM 83 O ILE A 9 -8.269 6.531 9.532 1.00 0.00 O ATOM 84 CB ILE A 9 -7.669 8.745 7.021 1.00 0.00 C ATOM 85 CG1 ILE A 9 -7.916 10.243 6.830 1.00 0.00 C ATOM 86 CG2 ILE A 9 -8.875 7.907 6.594 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.252 10.562 5.372 1.00 0.00 C ATOM 0 HA ILE A 9 -7.991 8.957 9.091 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.839 8.470 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.734 10.565 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.031 10.803 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.139 8.147 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.627 6.848 6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.720 8.127 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.423 11.633 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.422 10.261 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.151 10.020 5.079 1.00 0.00 H new ATOM 99 N LYS A 10 -6.395 6.193 8.311 1.00 0.00 N ATOM 100 CA LYS A 10 -6.353 4.764 8.567 1.00 0.00 C ATOM 101 C LYS A 10 -4.900 4.329 8.771 1.00 0.00 C ATOM 102 O LYS A 10 -4.007 4.779 8.053 1.00 0.00 O ATOM 103 CB LYS A 10 -7.073 3.999 7.456 1.00 0.00 C ATOM 104 CG LYS A 10 -6.918 2.488 7.640 1.00 0.00 C ATOM 105 CD LYS A 10 -8.214 1.756 7.288 1.00 0.00 C ATOM 106 CE LYS A 10 -8.130 0.277 7.669 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.746 0.047 8.995 1.00 0.00 N ATOM 0 H LYS A 10 -5.640 6.543 7.722 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.890 4.526 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.131 4.262 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.671 4.294 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.107 2.123 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.642 2.270 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.051 2.222 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.410 1.849 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.636 -0.328 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.088 -0.042 7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.772 -0.974 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.185 0.528 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.715 0.425 8.998 1.00 0.00 H new ATOM 121 N MET A 11 -4.707 3.460 9.752 1.00 0.00 N ATOM 122 CA MET A 11 -3.378 2.960 10.058 1.00 0.00 C ATOM 123 C MET A 11 -3.384 1.437 10.200 1.00 0.00 C ATOM 124 O MET A 11 -4.238 0.877 10.886 1.00 0.00 O ATOM 125 CB MET A 11 -2.882 3.592 11.361 1.00 0.00 C ATOM 126 CG MET A 11 -2.986 5.117 11.304 1.00 0.00 C ATOM 127 SD MET A 11 -3.752 5.733 12.794 1.00 0.00 S ATOM 128 CE MET A 11 -5.429 5.938 12.218 1.00 0.00 C ATOM 0 H MET A 11 -5.449 3.089 10.345 1.00 0.00 H new ATOM 0 HA MET A 11 -2.712 3.227 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.469 3.215 12.199 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.847 3.301 11.540 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.994 5.553 11.188 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.570 5.418 10.434 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.049 6.319 13.030 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.445 6.644 11.388 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.819 4.976 11.884 1.00 0.00 H new ATOM 138 N GLY A 12 -2.422 0.809 9.540 1.00 0.00 N ATOM 139 CA GLY A 12 -2.306 -0.639 9.584 1.00 0.00 C ATOM 140 C GLY A 12 -1.042 -1.110 8.862 1.00 0.00 C ATOM 141 O GLY A 12 -0.428 -0.348 8.117 1.00 0.00 O ATOM 0 H GLY A 12 -1.716 1.276 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.283 -0.974 10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.183 -1.092 9.122 1.00 0.00 H new ATOM 145 N TRP A 13 -0.691 -2.364 9.107 1.00 0.00 N ATOM 146 CA TRP A 13 0.489 -2.945 8.490 1.00 0.00 C ATOM 147 C TRP A 13 0.053 -3.638 7.197 1.00 0.00 C ATOM 148 O TRP A 13 -0.849 -4.474 7.210 1.00 0.00 O ATOM 149 CB TRP A 13 1.207 -3.886 9.459 1.00 0.00 C ATOM 150 CG TRP A 13 2.135 -3.174 10.446 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.812 -2.250 11.361 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.559 -3.366 10.579 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.920 -1.834 12.072 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.016 -2.534 11.581 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.432 -4.214 9.876 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.359 -2.469 11.971 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.771 -4.137 10.277 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.247 -3.305 11.284 1.00 0.00 C ATOM 0 H TRP A 13 -1.203 -2.994 9.724 1.00 0.00 H new ATOM 0 HA TRP A 13 1.216 -2.171 8.243 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.462 -4.451 10.019 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.789 -4.607 8.885 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.811 -1.878 11.522 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.932 -1.141 12.820 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.096 -4.873 9.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.692 -1.810 12.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.484 -4.768 9.768 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.297 -3.304 11.535 1.00 0.00 H new ATOM 169 N LEU A 14 0.714 -3.264 6.111 1.00 0.00 N ATOM 170 CA LEU A 14 0.407 -3.838 4.813 1.00 0.00 C ATOM 171 C LEU A 14 1.686 -4.406 4.195 1.00 0.00 C ATOM 172 O LEU A 14 2.788 -3.997 4.556 1.00 0.00 O ATOM 173 CB LEU A 14 -0.301 -2.811 3.926 1.00 0.00 C ATOM 174 CG LEU A 14 -1.818 -2.962 3.805 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.436 -1.749 3.107 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.185 -4.273 3.106 1.00 0.00 C ATOM 0 H LEU A 14 1.461 -2.570 6.104 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.291 -4.668 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.085 -1.815 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.130 -2.865 2.926 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.238 -3.004 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.515 -1.882 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.219 -0.849 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.014 -1.651 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.269 -4.355 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.752 -4.286 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.795 -5.113 3.681 1.00 0.00 H new ATOM 188 N LYS A 15 1.497 -5.340 3.275 1.00 0.00 N ATOM 189 CA LYS A 15 2.622 -5.969 2.604 1.00 0.00 C ATOM 190 C LYS A 15 2.855 -5.282 1.256 1.00 0.00 C ATOM 191 O LYS A 15 2.115 -5.514 0.301 1.00 0.00 O ATOM 192 CB LYS A 15 2.405 -7.479 2.494 1.00 0.00 C ATOM 193 CG LYS A 15 3.352 -8.238 3.426 1.00 0.00 C ATOM 194 CD LYS A 15 3.077 -9.742 3.381 1.00 0.00 C ATOM 195 CE LYS A 15 4.347 -10.541 3.682 1.00 0.00 C ATOM 196 NZ LYS A 15 4.004 -11.887 4.193 1.00 0.00 N ATOM 0 H LYS A 15 0.581 -5.677 2.978 1.00 0.00 H new ATOM 0 HA LYS A 15 3.533 -5.843 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.372 -7.721 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.567 -7.799 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.385 -8.045 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.233 -7.873 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.303 -9.996 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.695 -10.016 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.950 -10.631 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.952 -10.010 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.877 -12.416 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.448 -11.795 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.445 -12.397 3.479 1.00 0.00 H new ATOM 210 N LYS A 16 3.886 -4.450 1.223 1.00 0.00 N ATOM 211 CA LYS A 16 4.225 -3.728 0.009 1.00 0.00 C ATOM 212 C LYS A 16 5.234 -4.546 -0.800 1.00 0.00 C ATOM 213 O LYS A 16 6.343 -4.806 -0.335 1.00 0.00 O ATOM 214 CB LYS A 16 4.706 -2.315 0.343 1.00 0.00 C ATOM 215 CG LYS A 16 5.322 -1.640 -0.885 1.00 0.00 C ATOM 216 CD LYS A 16 5.386 -0.122 -0.703 1.00 0.00 C ATOM 217 CE LYS A 16 6.485 0.488 -1.574 1.00 0.00 C ATOM 218 NZ LYS A 16 7.814 0.275 -0.958 1.00 0.00 N ATOM 0 H LYS A 16 4.497 -4.260 2.017 1.00 0.00 H new ATOM 0 HA LYS A 16 3.342 -3.600 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.870 -1.719 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.442 -2.358 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.325 -2.032 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.732 -1.879 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.424 0.320 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.573 0.115 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.462 0.038 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.304 1.555 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.538 0.225 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.030 1.065 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.809 -0.615 -0.420 1.00 0.00 H new ATOM 232 N GLN A 17 4.814 -4.927 -1.998 1.00 0.00 N ATOM 233 CA GLN A 17 5.667 -5.710 -2.876 1.00 0.00 C ATOM 234 C GLN A 17 6.745 -4.821 -3.499 1.00 0.00 C ATOM 235 O GLN A 17 6.452 -3.726 -3.976 1.00 0.00 O ATOM 236 CB GLN A 17 4.844 -6.413 -3.957 1.00 0.00 C ATOM 237 CG GLN A 17 5.743 -7.227 -4.889 1.00 0.00 C ATOM 238 CD GLN A 17 5.103 -7.385 -6.269 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.814 -6.423 -6.962 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.897 -8.648 -6.629 1.00 0.00 N ATOM 0 H GLN A 17 3.894 -4.708 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 17 6.158 -6.481 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.109 -7.069 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.290 -5.674 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.711 -6.735 -4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.927 -8.210 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.162 -9.407 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.474 -8.858 -7.533 1.00 0.00 H new ATOM 341 N ASN A 23 8.651 -10.068 -4.036 1.00 0.00 N ATOM 342 CA ASN A 23 8.697 -10.202 -2.590 1.00 0.00 C ATOM 343 C ASN A 23 7.656 -9.273 -1.963 1.00 0.00 C ATOM 344 O ASN A 23 7.187 -8.336 -2.607 1.00 0.00 O ATOM 345 CB ASN A 23 10.071 -9.811 -2.043 1.00 0.00 C ATOM 346 CG ASN A 23 10.342 -8.320 -2.258 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.484 -7.473 -2.068 1.00 0.00 O ATOM 348 ND2 ASN A 23 11.579 -8.048 -2.663 1.00 0.00 N ATOM 0 HA ASN A 23 8.494 -11.244 -2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.123 -10.044 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.844 -10.400 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.859 -7.082 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.248 -8.805 -2.803 1.00 0.00 H new ATOM 355 N TRP A 24 7.325 -9.565 -0.713 1.00 0.00 N ATOM 356 CA TRP A 24 6.348 -8.767 0.008 1.00 0.00 C ATOM 357 C TRP A 24 6.980 -8.328 1.331 1.00 0.00 C ATOM 358 O TRP A 24 7.439 -9.162 2.110 1.00 0.00 O ATOM 359 CB TRP A 24 5.041 -9.539 0.197 1.00 0.00 C ATOM 360 CG TRP A 24 4.389 -9.989 -1.112 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.600 -11.125 -1.791 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.406 -9.261 -1.877 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.828 -11.182 -2.933 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.078 -10.013 -2.987 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.812 -8.009 -1.639 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.147 -9.598 -3.946 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.884 -7.609 -2.607 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.543 -8.354 -3.730 1.00 0.00 C ATOM 0 H TRP A 24 7.716 -10.343 -0.182 1.00 0.00 H new ATOM 0 HA TRP A 24 6.080 -7.877 -0.562 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.235 -10.416 0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.337 -8.913 0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.288 -11.899 -1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.811 -11.942 -3.613 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.053 -7.404 -0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.907 -10.205 -4.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.398 -6.654 -2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.816 -7.975 -4.432 1.00 0.00 H new ATOM 379 N GLN A 25 6.984 -7.020 1.543 1.00 0.00 N ATOM 380 CA GLN A 25 7.552 -6.461 2.758 1.00 0.00 C ATOM 381 C GLN A 25 6.446 -5.882 3.643 1.00 0.00 C ATOM 382 O GLN A 25 5.789 -4.912 3.267 1.00 0.00 O ATOM 383 CB GLN A 25 8.606 -5.401 2.433 1.00 0.00 C ATOM 384 CG GLN A 25 10.008 -5.892 2.797 1.00 0.00 C ATOM 385 CD GLN A 25 10.460 -7.008 1.853 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.826 -6.781 0.712 1.00 0.00 O ATOM 387 NE2 GLN A 25 10.415 -8.223 2.392 1.00 0.00 N ATOM 0 H GLN A 25 6.603 -6.331 0.894 1.00 0.00 H new ATOM 0 HA GLN A 25 8.047 -7.262 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.566 -5.157 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.385 -4.484 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.712 -5.062 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.015 -6.255 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.098 -8.343 3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.697 -9.035 1.843 1.00 0.00 H new ATOM 396 N GLN A 26 6.274 -6.501 4.802 1.00 0.00 N ATOM 397 CA GLN A 26 5.260 -6.059 5.743 1.00 0.00 C ATOM 398 C GLN A 26 5.705 -4.770 6.438 1.00 0.00 C ATOM 399 O GLN A 26 6.541 -4.803 7.339 1.00 0.00 O ATOM 400 CB GLN A 26 4.947 -7.153 6.766 1.00 0.00 C ATOM 401 CG GLN A 26 3.469 -7.128 7.161 1.00 0.00 C ATOM 402 CD GLN A 26 2.850 -8.523 7.057 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.413 -9.514 7.493 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.663 -8.545 6.457 1.00 0.00 N ATOM 0 H GLN A 26 6.820 -7.305 5.110 1.00 0.00 H new ATOM 0 HA GLN A 26 4.344 -5.852 5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.199 -8.128 6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.566 -7.015 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.368 -6.756 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.928 -6.437 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.248 -7.678 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.168 -9.429 6.339 1.00 0.00 H new ATOM 413 N ARG A 27 5.127 -3.665 5.991 1.00 0.00 N ATOM 414 CA ARG A 27 5.454 -2.367 6.558 1.00 0.00 C ATOM 415 C ARG A 27 4.219 -1.751 7.220 1.00 0.00 C ATOM 416 O ARG A 27 3.129 -2.316 7.155 1.00 0.00 O ATOM 417 CB ARG A 27 5.978 -1.413 5.484 1.00 0.00 C ATOM 418 CG ARG A 27 7.193 -2.007 4.768 1.00 0.00 C ATOM 419 CD ARG A 27 8.272 -0.945 4.545 1.00 0.00 C ATOM 420 NE ARG A 27 8.984 -1.207 3.275 1.00 0.00 N ATOM 421 CZ ARG A 27 9.995 -2.077 3.146 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.417 -2.776 4.208 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.582 -2.250 1.954 1.00 0.00 N ATOM 0 H ARG A 27 4.434 -3.641 5.243 1.00 0.00 H new ATOM 0 HA ARG A 27 6.234 -2.518 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.190 -1.207 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.250 -0.461 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.602 -2.828 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.886 -2.425 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.819 0.046 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.978 -0.952 5.375 1.00 0.00 H new ATOM 0 HE ARG A 27 8.687 -0.693 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.969 -2.646 5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.187 -3.438 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.259 -1.719 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.352 -2.912 1.856 1.00 0.00 H new ATOM 437 N TYR A 28 4.433 -0.600 7.841 1.00 0.00 N ATOM 438 CA TYR A 28 3.351 0.099 8.514 1.00 0.00 C ATOM 439 C TYR A 28 2.817 1.243 7.650 1.00 0.00 C ATOM 440 O TYR A 28 3.440 2.300 7.558 1.00 0.00 O ATOM 441 CB TYR A 28 3.957 0.681 9.793 1.00 0.00 C ATOM 442 CG TYR A 28 2.946 1.401 10.688 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.594 1.181 10.517 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.386 2.269 11.665 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.643 1.859 11.359 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.435 2.947 12.508 1.00 0.00 C ATOM 447 CZ TYR A 28 1.110 2.708 12.313 1.00 0.00 C ATOM 448 OH TYR A 28 0.212 3.348 13.109 1.00 0.00 O ATOM 0 H TYR A 28 5.339 -0.134 7.892 1.00 0.00 H new ATOM 0 HA TYR A 28 2.522 -0.579 8.715 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.422 -0.124 10.362 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.749 1.379 9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.250 0.501 9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.444 2.440 11.798 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.418 1.697 11.236 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.766 3.629 13.277 1.00 0.00 H new ATOM 0 HH TYR A 28 0.689 3.921 13.745 1.00 0.00 H new ATOM 458 N PHE A 29 1.669 0.994 7.038 1.00 0.00 N ATOM 459 CA PHE A 29 1.043 1.990 6.185 1.00 0.00 C ATOM 460 C PHE A 29 0.147 2.925 6.999 1.00 0.00 C ATOM 461 O PHE A 29 -0.620 2.472 7.847 1.00 0.00 O ATOM 462 CB PHE A 29 0.183 1.234 5.170 1.00 0.00 C ATOM 463 CG PHE A 29 0.914 0.885 3.872 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.700 -0.223 3.811 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.777 1.683 2.779 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.378 -0.547 2.606 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.455 1.359 1.574 1.00 0.00 C ATOM 468 CZ PHE A 29 2.241 0.251 1.513 1.00 0.00 C ATOM 0 H PHE A 29 1.155 0.116 7.116 1.00 0.00 H new ATOM 0 HA PHE A 29 1.808 2.596 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.179 0.314 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.693 1.837 4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.809 -0.857 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.153 2.563 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.002 -1.427 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.346 1.993 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.757 0.005 0.597 1.00 0.00 H new ATOM 478 N VAL A 30 0.275 4.213 6.713 1.00 0.00 N ATOM 479 CA VAL A 30 -0.514 5.215 7.409 1.00 0.00 C ATOM 480 C VAL A 30 -1.178 6.137 6.384 1.00 0.00 C ATOM 481 O VAL A 30 -0.497 6.754 5.566 1.00 0.00 O ATOM 482 CB VAL A 30 0.364 5.969 8.410 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.246 7.328 8.760 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.600 5.133 9.670 1.00 0.00 C ATOM 0 H VAL A 30 0.913 4.585 6.009 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.309 4.743 7.985 1.00 0.00 H new ATOM 0 HB VAL A 30 1.331 6.147 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.398 7.843 9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.339 7.929 7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.232 7.182 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.227 5.692 10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.356 4.910 10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.098 4.202 9.401 1.00 0.00 H new ATOM 494 N LEU A 31 -2.499 6.201 6.461 1.00 0.00 N ATOM 495 CA LEU A 31 -3.262 7.037 5.551 1.00 0.00 C ATOM 496 C LEU A 31 -3.567 8.375 6.227 1.00 0.00 C ATOM 497 O LEU A 31 -3.813 8.424 7.431 1.00 0.00 O ATOM 498 CB LEU A 31 -4.509 6.297 5.062 1.00 0.00 C ATOM 499 CG LEU A 31 -5.109 6.792 3.744 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.431 5.620 2.814 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.332 7.676 3.997 1.00 0.00 C ATOM 0 H LEU A 31 -3.060 5.687 7.140 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.678 7.257 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.261 5.241 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.274 6.365 5.835 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.365 7.408 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.856 5.999 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.517 5.067 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.149 4.958 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.739 8.015 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.090 7.104 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.039 8.540 4.594 1.00 0.00 H new ATOM 513 N ARG A 32 -3.541 9.428 5.423 1.00 0.00 N ATOM 514 CA ARG A 32 -3.811 10.763 5.929 1.00 0.00 C ATOM 515 C ARG A 32 -4.859 11.458 5.057 1.00 0.00 C ATOM 516 O ARG A 32 -5.700 10.801 4.447 1.00 0.00 O ATOM 517 CB ARG A 32 -2.537 11.609 5.958 1.00 0.00 C ATOM 518 CG ARG A 32 -2.504 12.508 7.196 1.00 0.00 C ATOM 519 CD ARG A 32 -1.475 12.004 8.210 1.00 0.00 C ATOM 520 NE ARG A 32 -0.653 13.133 8.700 1.00 0.00 N ATOM 521 CZ ARG A 32 0.331 13.011 9.601 1.00 0.00 C ATOM 522 NH1 ARG A 32 0.621 11.809 10.117 1.00 0.00 N ATOM 523 NH2 ARG A 32 1.024 14.091 9.987 1.00 0.00 N ATOM 0 H ARG A 32 -3.337 9.384 4.425 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.189 10.663 6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.663 10.957 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.482 12.221 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.261 13.529 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.491 12.535 7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.982 11.522 9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.836 11.251 7.749 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.848 14.063 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.093 10.987 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.370 11.716 10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.802 15.006 9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.773 13.998 10.673 1.00 0.00 H new ATOM 537 N ALA A 33 -4.773 12.780 5.026 1.00 0.00 N ATOM 538 CA ALA A 33 -5.702 13.573 4.240 1.00 0.00 C ATOM 539 C ALA A 33 -5.242 13.592 2.781 1.00 0.00 C ATOM 540 O ALA A 33 -4.140 14.048 2.480 1.00 0.00 O ATOM 541 CB ALA A 33 -5.808 14.977 4.836 1.00 0.00 C ATOM 0 H ALA A 33 -4.073 13.322 5.533 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.699 13.133 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.505 15.571 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.167 14.910 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.827 15.452 4.825 1.00 0.00 H new ATOM 547 N GLN A 34 -6.109 13.090 1.913 1.00 0.00 N ATOM 548 CA GLN A 34 -5.804 13.044 0.493 1.00 0.00 C ATOM 549 C GLN A 34 -4.324 12.725 0.277 1.00 0.00 C ATOM 550 O GLN A 34 -3.664 13.353 -0.549 1.00 0.00 O ATOM 551 CB GLN A 34 -6.188 14.357 -0.193 1.00 0.00 C ATOM 552 CG GLN A 34 -7.697 14.599 -0.110 1.00 0.00 C ATOM 553 CD GLN A 34 -8.082 15.906 -0.806 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.345 15.951 -1.996 1.00 0.00 O ATOM 555 NE2 GLN A 34 -8.100 16.963 0.001 1.00 0.00 N ATOM 0 H GLN A 34 -7.022 12.712 2.166 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.396 12.249 0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.657 15.185 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.877 14.330 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.228 13.767 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.006 14.634 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.869 16.855 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.345 17.882 -0.368 1.00 0.00 H new ATOM 564 N GLN A 35 -3.845 11.749 1.035 1.00 0.00 N ATOM 565 CA GLN A 35 -2.455 11.339 0.937 1.00 0.00 C ATOM 566 C GLN A 35 -2.249 9.990 1.628 1.00 0.00 C ATOM 567 O GLN A 35 -2.964 9.657 2.573 1.00 0.00 O ATOM 568 CB GLN A 35 -1.526 12.403 1.525 1.00 0.00 C ATOM 569 CG GLN A 35 -0.996 13.333 0.431 1.00 0.00 C ATOM 570 CD GLN A 35 0.309 14.003 0.867 1.00 0.00 C ATOM 571 OE1 GLN A 35 0.147 14.969 1.766 1.00 0.00 O flip ATOM 572 NE2 GLN A 35 1.391 13.665 0.416 1.00 0.00 N flip ATOM 0 H GLN A 35 -4.395 11.230 1.720 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.204 11.227 -0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.062 12.985 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.691 11.921 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.830 12.766 -0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.742 14.095 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.445 12.915 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.242 14.133 0.728 1.00 0.00 H new ATOM 581 N LEU A 36 -1.269 9.249 1.131 1.00 0.00 N ATOM 582 CA LEU A 36 -0.961 7.944 1.690 1.00 0.00 C ATOM 583 C LEU A 36 0.527 7.882 2.039 1.00 0.00 C ATOM 584 O LEU A 36 1.363 8.411 1.308 1.00 0.00 O ATOM 585 CB LEU A 36 -1.416 6.834 0.740 1.00 0.00 C ATOM 586 CG LEU A 36 -1.433 5.418 1.321 1.00 0.00 C ATOM 587 CD1 LEU A 36 -0.015 4.853 1.429 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.166 5.386 2.664 1.00 0.00 C ATOM 0 H LEU A 36 -0.678 9.528 0.348 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.513 7.786 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.420 7.073 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.763 6.839 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.985 4.774 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.055 3.846 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.440 4.819 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.582 5.491 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.164 4.369 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.662 6.047 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.194 5.719 2.525 1.00 0.00 H new ATOM 600 N TYR A 37 0.813 7.231 3.157 1.00 0.00 N ATOM 601 CA TYR A 37 2.186 7.093 3.613 1.00 0.00 C ATOM 602 C TYR A 37 2.453 5.678 4.129 1.00 0.00 C ATOM 603 O TYR A 37 1.520 4.914 4.369 1.00 0.00 O ATOM 604 CB TYR A 37 2.348 8.083 4.768 1.00 0.00 C ATOM 605 CG TYR A 37 1.759 9.467 4.489 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.393 9.624 4.368 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.592 10.559 4.358 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.163 10.926 4.106 1.00 0.00 C ATOM 609 CE2 TYR A 37 2.037 11.862 4.096 1.00 0.00 C ATOM 610 CZ TYR A 37 0.687 11.981 3.982 1.00 0.00 C ATOM 611 OH TYR A 37 0.162 13.211 3.734 1.00 0.00 O ATOM 0 H TYR A 37 0.117 6.793 3.761 1.00 0.00 H new ATOM 0 HA TYR A 37 2.882 7.285 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.872 7.669 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.409 8.190 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.259 8.769 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.661 10.437 4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.230 11.062 4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.678 12.725 3.992 1.00 0.00 H new ATOM 0 HH TYR A 37 0.847 13.784 3.330 1.00 0.00 H new ATOM 621 N TYR A 38 3.733 5.371 4.284 1.00 0.00 N ATOM 622 CA TYR A 38 4.135 4.061 4.767 1.00 0.00 C ATOM 623 C TYR A 38 5.556 4.097 5.332 1.00 0.00 C ATOM 624 O TYR A 38 6.484 4.546 4.660 1.00 0.00 O ATOM 625 CB TYR A 38 4.106 3.135 3.549 1.00 0.00 C ATOM 626 CG TYR A 38 5.441 3.040 2.808 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.431 2.199 3.274 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.656 3.796 1.673 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.687 2.110 2.576 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.912 3.707 0.976 1.00 0.00 C ATOM 631 CZ TYR A 38 7.866 2.868 1.462 1.00 0.00 C ATOM 632 OH TYR A 38 9.053 2.784 0.803 1.00 0.00 O ATOM 0 H TYR A 38 4.505 6.007 4.084 1.00 0.00 H new ATOM 0 HA TYR A 38 3.471 3.725 5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.809 2.137 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.342 3.487 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.264 1.608 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.882 4.454 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.470 1.455 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.093 4.293 0.087 1.00 0.00 H new ATOM 0 HH TYR A 38 9.038 3.380 0.025 1.00 0.00 H new ATOM 642 N TYR A 39 5.683 3.619 6.561 1.00 0.00 N ATOM 643 CA TYR A 39 6.976 3.591 7.223 1.00 0.00 C ATOM 644 C TYR A 39 7.449 2.152 7.441 1.00 0.00 C ATOM 645 O TYR A 39 6.670 1.210 7.301 1.00 0.00 O ATOM 646 CB TYR A 39 6.767 4.257 8.584 1.00 0.00 C ATOM 647 CG TYR A 39 6.107 5.636 8.507 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.733 5.740 8.436 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.887 6.775 8.510 1.00 0.00 C ATOM 650 CE1 TYR A 39 4.112 7.037 8.363 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.266 8.072 8.437 1.00 0.00 C ATOM 652 CZ TYR A 39 4.909 8.139 8.367 1.00 0.00 C ATOM 653 OH TYR A 39 4.323 9.365 8.299 1.00 0.00 O ATOM 0 H TYR A 39 4.912 3.248 7.116 1.00 0.00 H new ATOM 0 HA TYR A 39 7.727 4.100 6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.152 3.606 9.205 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.732 4.355 9.081 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.123 4.849 8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.962 6.693 8.567 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.038 7.133 8.306 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.864 8.971 8.438 1.00 0.00 H new ATOM 0 HH TYR A 39 5.015 10.059 8.312 1.00 0.00 H new ATOM 789 N GLN A 48 8.468 7.400 4.359 1.00 0.00 N ATOM 790 CA GLN A 48 9.308 6.786 3.345 1.00 0.00 C ATOM 791 C GLN A 48 8.842 7.200 1.948 1.00 0.00 C ATOM 792 O GLN A 48 9.661 7.458 1.067 1.00 0.00 O ATOM 793 CB GLN A 48 9.320 5.263 3.490 1.00 0.00 C ATOM 794 CG GLN A 48 9.945 4.844 4.822 1.00 0.00 C ATOM 795 CD GLN A 48 11.448 5.134 4.838 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.024 5.612 3.875 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.047 4.818 5.982 1.00 0.00 N ATOM 0 HA GLN A 48 10.330 7.139 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.302 4.880 3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.880 4.820 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.459 5.377 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.774 3.781 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.504 4.421 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.049 4.973 6.093 1.00 0.00 H new ATOM 806 N GLY A 49 7.527 7.251 1.789 1.00 0.00 N ATOM 807 CA GLY A 49 6.942 7.630 0.514 1.00 0.00 C ATOM 808 C GLY A 49 5.603 8.342 0.715 1.00 0.00 C ATOM 809 O GLY A 49 5.093 8.409 1.832 1.00 0.00 O ATOM 0 H GLY A 49 6.851 7.036 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.628 8.283 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.797 6.742 -0.102 1.00 0.00 H new ATOM 813 N CYS A 50 5.071 8.855 -0.385 1.00 0.00 N ATOM 814 CA CYS A 50 3.801 9.560 -0.343 1.00 0.00 C ATOM 815 C CYS A 50 3.040 9.256 -1.635 1.00 0.00 C ATOM 816 O CYS A 50 3.627 9.243 -2.716 1.00 0.00 O ATOM 817 CB CYS A 50 3.995 11.063 -0.135 1.00 0.00 C ATOM 818 SG CYS A 50 5.171 11.720 -1.374 1.00 0.00 S ATOM 0 H CYS A 50 5.496 8.796 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 50 3.218 9.214 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.038 11.577 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.369 11.254 0.871 1.00 0.00 H new ATOM 0 HG CYS A 50 5.084 11.023 -2.468 1.00 0.00 H new ATOM 824 N MET A 51 1.746 9.019 -1.480 1.00 0.00 N ATOM 825 CA MET A 51 0.899 8.716 -2.622 1.00 0.00 C ATOM 826 C MET A 51 -0.366 9.576 -2.609 1.00 0.00 C ATOM 827 O MET A 51 -1.066 9.643 -1.601 1.00 0.00 O ATOM 828 CB MET A 51 0.511 7.236 -2.591 1.00 0.00 C ATOM 829 CG MET A 51 0.409 6.666 -4.007 1.00 0.00 C ATOM 830 SD MET A 51 2.000 6.054 -4.535 1.00 0.00 S ATOM 831 CE MET A 51 1.485 4.635 -5.488 1.00 0.00 C ATOM 0 H MET A 51 1.263 9.031 -0.582 1.00 0.00 H new ATOM 0 HA MET A 51 1.456 8.936 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.251 6.674 -2.021 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.443 7.117 -2.078 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.326 5.861 -4.032 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.061 7.437 -4.694 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.339 3.979 -5.654 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.711 4.093 -4.944 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.090 4.966 -6.448 1.00 0.00 H new ATOM 841 N TYR A 52 -0.620 10.214 -3.743 1.00 0.00 N ATOM 842 CA TYR A 52 -1.788 11.068 -3.875 1.00 0.00 C ATOM 843 C TYR A 52 -3.049 10.237 -4.125 1.00 0.00 C ATOM 844 O TYR A 52 -3.181 9.603 -5.170 1.00 0.00 O ATOM 845 CB TYR A 52 -1.526 11.955 -5.094 1.00 0.00 C ATOM 846 CG TYR A 52 -2.078 13.376 -4.960 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.883 14.085 -3.792 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.772 13.948 -6.007 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.403 15.422 -3.666 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.292 15.285 -5.881 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.081 15.956 -4.716 1.00 0.00 C ATOM 852 OH TYR A 52 -3.572 17.219 -4.597 1.00 0.00 O ATOM 0 H TYR A 52 -0.037 10.156 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.947 11.645 -2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.451 12.009 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.968 11.486 -5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.340 13.637 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.925 13.393 -6.921 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.258 15.988 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.837 15.745 -6.692 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.032 17.470 -5.425 1.00 0.00 H new ATOM 862 N LEU A 53 -3.943 10.269 -3.148 1.00 0.00 N ATOM 863 CA LEU A 53 -5.188 9.527 -3.249 1.00 0.00 C ATOM 864 C LEU A 53 -6.015 10.083 -4.410 1.00 0.00 C ATOM 865 O LEU A 53 -6.615 9.323 -5.169 1.00 0.00 O ATOM 866 CB LEU A 53 -5.926 9.534 -1.909 1.00 0.00 C ATOM 867 CG LEU A 53 -5.168 8.936 -0.722 1.00 0.00 C ATOM 868 CD1 LEU A 53 -6.117 8.636 0.440 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.372 7.700 -1.146 1.00 0.00 C ATOM 0 H LEU A 53 -3.830 10.797 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.990 8.479 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.187 10.564 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.862 8.988 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.450 9.676 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.553 8.212 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.600 9.558 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.876 7.924 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.843 7.295 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.053 6.946 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.652 7.977 -1.916 1.00 0.00 H new ATOM 881 N PRO A 54 -6.021 11.439 -4.514 1.00 0.00 N ATOM 882 CA PRO A 54 -6.765 12.105 -5.569 1.00 0.00 C ATOM 883 C PRO A 54 -6.048 11.970 -6.914 1.00 0.00 C ATOM 884 O PRO A 54 -5.064 12.663 -7.169 1.00 0.00 O ATOM 885 CB PRO A 54 -6.896 13.547 -5.108 1.00 0.00 C ATOM 886 CG PRO A 54 -5.829 13.743 -4.044 1.00 0.00 C ATOM 887 CD PRO A 54 -5.323 12.370 -3.633 1.00 0.00 C ATOM 0 HA PRO A 54 -7.748 11.663 -5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.750 14.237 -5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.890 13.739 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.011 14.351 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.240 14.272 -3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.242 12.294 -3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.543 12.164 -2.585 1.00 0.00 H new ATOM 895 N GLY A 55 -6.569 11.074 -7.739 1.00 0.00 N ATOM 896 CA GLY A 55 -5.991 10.840 -9.052 1.00 0.00 C ATOM 897 C GLY A 55 -5.283 9.484 -9.105 1.00 0.00 C ATOM 898 O GLY A 55 -4.543 9.203 -10.046 1.00 0.00 O ATOM 0 H GLY A 55 -7.385 10.501 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.774 10.876 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.282 11.634 -9.288 1.00 0.00 H new ATOM 902 N CYS A 56 -5.536 8.680 -8.083 1.00 0.00 N ATOM 903 CA CYS A 56 -4.932 7.361 -8.001 1.00 0.00 C ATOM 904 C CYS A 56 -5.850 6.367 -8.715 1.00 0.00 C ATOM 905 O CYS A 56 -7.003 6.682 -9.009 1.00 0.00 O ATOM 906 CB CYS A 56 -4.663 6.950 -6.552 1.00 0.00 C ATOM 907 SG CYS A 56 -6.236 6.514 -5.724 1.00 0.00 S ATOM 0 H CYS A 56 -6.151 8.917 -7.305 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.959 7.373 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.981 6.100 -6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.175 7.766 -6.018 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.997 6.165 -4.495 1.00 0.00 H new ATOM 913 N THR A 57 -5.306 5.188 -8.974 1.00 0.00 N ATOM 914 CA THR A 57 -6.062 4.146 -9.648 1.00 0.00 C ATOM 915 C THR A 57 -5.868 2.804 -8.941 1.00 0.00 C ATOM 916 O THR A 57 -4.851 2.139 -9.131 1.00 0.00 O ATOM 917 CB THR A 57 -5.634 4.126 -11.117 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.490 5.079 -11.741 1.00 0.00 O ATOM 919 CG2 THR A 57 -5.978 2.806 -11.810 1.00 0.00 C ATOM 0 H THR A 57 -4.350 4.930 -8.729 1.00 0.00 H new ATOM 0 HA THR A 57 -7.133 4.347 -9.609 1.00 0.00 H new ATOM 0 HB THR A 57 -4.560 4.302 -11.184 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.280 5.131 -12.697 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.653 2.845 -12.850 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.471 1.986 -11.302 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.055 2.645 -11.773 1.00 0.00 H new ATOM 927 N ILE A 58 -6.859 2.445 -8.139 1.00 0.00 N ATOM 928 CA ILE A 58 -6.811 1.194 -7.402 1.00 0.00 C ATOM 929 C ILE A 58 -7.294 0.056 -8.304 1.00 0.00 C ATOM 930 O ILE A 58 -8.453 0.035 -8.714 1.00 0.00 O ATOM 931 CB ILE A 58 -7.591 1.313 -6.091 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.743 1.983 -5.007 1.00 0.00 C ATOM 933 CG2 ILE A 58 -8.122 -0.050 -5.643 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.131 3.453 -4.838 1.00 0.00 C ATOM 0 H ILE A 58 -7.701 2.999 -7.983 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.786 0.961 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.456 1.954 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.874 1.458 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.687 1.910 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.672 0.063 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.786 -0.452 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.287 -0.734 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.514 3.905 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.976 3.981 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.181 3.522 -4.552 1.00 0.00 H new ATOM 946 N LYS A 59 -6.381 -0.862 -8.585 1.00 0.00 N ATOM 947 CA LYS A 59 -6.699 -1.999 -9.431 1.00 0.00 C ATOM 948 C LYS A 59 -6.488 -3.292 -8.641 1.00 0.00 C ATOM 949 O LYS A 59 -5.385 -3.560 -8.165 1.00 0.00 O ATOM 950 CB LYS A 59 -5.901 -1.938 -10.735 1.00 0.00 C ATOM 951 CG LYS A 59 -6.147 -0.617 -11.467 1.00 0.00 C ATOM 952 CD LYS A 59 -6.171 -0.826 -12.983 1.00 0.00 C ATOM 953 CE LYS A 59 -4.887 -1.506 -13.462 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.126 -2.229 -14.731 1.00 0.00 N ATOM 0 H LYS A 59 -5.421 -0.841 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.748 -1.972 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.838 -2.046 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.183 -2.772 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.094 -0.187 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.366 0.098 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.033 -1.435 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.287 0.135 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.104 -0.760 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.531 -2.201 -12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.245 -2.685 -15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.858 -2.954 -14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.444 -1.557 -15.459 1.00 0.00 H new ATOM 968 N GLU A 60 -7.561 -4.060 -8.525 1.00 0.00 N ATOM 969 CA GLU A 60 -7.507 -5.318 -7.800 1.00 0.00 C ATOM 970 C GLU A 60 -6.775 -6.376 -8.628 1.00 0.00 C ATOM 971 O GLU A 60 -7.275 -6.816 -9.662 1.00 0.00 O ATOM 972 CB GLU A 60 -8.911 -5.793 -7.421 1.00 0.00 C ATOM 973 CG GLU A 60 -9.587 -4.805 -6.469 1.00 0.00 C ATOM 974 CD GLU A 60 -11.019 -4.505 -6.915 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.160 -3.790 -7.930 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.941 -4.999 -6.230 1.00 0.00 O ATOM 0 H GLU A 60 -8.474 -3.835 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.951 -5.159 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.515 -5.907 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.852 -6.774 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.595 -5.216 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.013 -3.879 -6.432 1.00 0.00 H new ATOM 983 N ILE A 61 -5.601 -6.753 -8.142 1.00 0.00 N ATOM 984 CA ILE A 61 -4.795 -7.751 -8.824 1.00 0.00 C ATOM 985 C ILE A 61 -5.223 -9.147 -8.365 1.00 0.00 C ATOM 986 O ILE A 61 -5.567 -9.343 -7.201 1.00 0.00 O ATOM 987 CB ILE A 61 -3.305 -7.467 -8.620 1.00 0.00 C ATOM 988 CG1 ILE A 61 -3.013 -5.969 -8.726 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.453 -8.287 -9.591 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.228 -5.468 -10.155 1.00 0.00 C ATOM 0 H ILE A 61 -5.189 -6.385 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.961 -7.704 -9.900 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.033 -7.778 -7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.661 -5.419 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.986 -5.773 -8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.398 -8.067 -9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.632 -9.349 -9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.721 -8.030 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.014 -4.400 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.562 -6.002 -10.832 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.262 -5.644 -10.450 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.547 -11.345 -2.106 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.768 -9.983 -1.650 1.00 0.00 C ATOM 1125 C PHE A 71 -5.541 -9.109 -1.916 1.00 0.00 C ATOM 1126 O PHE A 71 -4.921 -8.603 -0.983 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.014 -10.051 -0.142 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.020 -11.125 0.277 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.158 -11.310 -0.444 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.775 -11.895 1.371 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.091 -12.307 -0.055 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.708 -12.893 1.760 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.846 -13.077 1.039 1.00 0.00 C ATOM 0 HA PHE A 71 -7.613 -9.546 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.066 -10.239 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.371 -9.080 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.352 -10.698 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.871 -11.748 1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.995 -12.454 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.514 -13.505 2.628 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.556 -13.835 1.335 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.228 -8.958 -3.195 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.086 -8.154 -3.596 1.00 0.00 C ATOM 1145 C VAL A 72 -4.563 -7.008 -4.489 1.00 0.00 C ATOM 1146 O VAL A 72 -5.341 -7.222 -5.417 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.033 -9.038 -4.268 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.685 -8.320 -4.351 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.897 -10.378 -3.541 1.00 0.00 C ATOM 0 H VAL A 72 -5.745 -9.379 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.608 -7.709 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.367 -9.241 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.955 -8.971 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.795 -7.405 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.342 -8.072 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.142 -10.987 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.598 -10.203 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.854 -10.900 -3.558 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.077 -5.815 -4.178 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.444 -4.635 -4.941 1.00 0.00 C ATOM 1161 C PHE A 73 -3.255 -3.682 -5.083 1.00 0.00 C ATOM 1162 O PHE A 73 -2.498 -3.483 -4.134 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.558 -3.929 -4.165 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.077 -3.199 -2.910 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.858 -3.893 -1.761 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.867 -1.855 -2.944 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.411 -3.214 -0.596 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.420 -1.177 -1.779 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.202 -1.871 -0.630 1.00 0.00 C ATOM 0 H PHE A 73 -3.432 -5.641 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.765 -4.924 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.048 -3.212 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.310 -4.665 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.024 -4.960 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.040 -1.304 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.237 -3.765 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.253 -0.110 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.863 -1.355 0.256 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.129 -3.118 -6.275 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.045 -2.191 -6.553 1.00 0.00 C ATOM 1181 C GLU A 74 -2.598 -0.784 -6.790 1.00 0.00 C ATOM 1182 O GLU A 74 -3.605 -0.617 -7.476 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.213 -2.662 -7.747 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.583 -1.886 -9.013 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.956 -2.528 -10.253 1.00 0.00 C ATOM 1186 OE1 GLU A 74 0.194 -3.001 -10.127 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.642 -2.531 -11.298 1.00 0.00 O ATOM 0 H GLU A 74 -3.759 -3.285 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.387 -2.160 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.153 -2.529 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.374 -3.728 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.667 -1.858 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.245 -0.854 -8.923 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.915 0.192 -6.210 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.325 1.578 -6.350 1.00 0.00 C ATOM 1196 C ILE A 75 -1.455 2.259 -7.409 1.00 0.00 C ATOM 1197 O ILE A 75 -0.228 2.222 -7.327 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.304 2.283 -4.992 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -3.030 1.452 -3.932 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.874 3.699 -5.100 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.313 1.536 -2.583 1.00 0.00 C ATOM 0 H ILE A 75 -1.080 0.050 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.356 1.636 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.266 2.378 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.055 1.807 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.085 0.412 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.847 4.178 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.277 4.279 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.904 3.651 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.850 0.937 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.296 1.158 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.282 2.574 -2.252 1.00 0.00 H new ATOM 1213 N ILE A 76 -2.125 2.863 -8.380 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.428 3.551 -9.454 1.00 0.00 C ATOM 1215 C ILE A 76 -1.542 5.062 -9.245 1.00 0.00 C ATOM 1216 O ILE A 76 -2.643 5.590 -9.095 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.942 3.078 -10.815 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.628 1.596 -11.035 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.394 3.954 -11.943 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.908 0.794 -11.276 1.00 0.00 C ATOM 0 H ILE A 76 -3.143 2.890 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.366 3.306 -9.437 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.027 3.182 -10.825 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.959 1.485 -11.888 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.104 1.199 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.775 3.596 -12.899 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.711 4.986 -11.789 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.305 3.906 -11.945 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.656 -0.255 -11.429 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.564 0.887 -10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.417 1.178 -12.160 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.359 5.733 -9.240 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.316 7.173 -9.052 1.00 0.00 C ATOM 1234 C PRO A 77 -0.767 7.905 -10.318 1.00 0.00 C ATOM 1235 O PRO A 77 -0.686 7.359 -11.417 1.00 0.00 O ATOM 1236 CB PRO A 77 1.123 7.477 -8.670 1.00 0.00 C ATOM 1237 CG PRO A 77 1.935 6.269 -9.110 1.00 0.00 C ATOM 1238 CD PRO A 77 0.964 5.140 -9.414 1.00 0.00 C ATOM 0 HA PRO A 77 -1.001 7.517 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.474 8.384 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.216 7.640 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.529 6.509 -9.992 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.632 5.972 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.099 4.764 -10.428 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.112 4.297 -8.739 1.00 0.00 H new ATOM 1411 N SER A 89 3.557 1.082 -10.005 1.00 0.00 N ATOM 1412 CA SER A 89 2.449 1.300 -9.091 1.00 0.00 C ATOM 1413 C SER A 89 2.799 0.755 -7.705 1.00 0.00 C ATOM 1414 O SER A 89 3.905 0.259 -7.490 1.00 0.00 O ATOM 1415 CB SER A 89 1.168 0.643 -9.611 1.00 0.00 C ATOM 1416 OG SER A 89 1.340 -0.752 -9.842 1.00 0.00 O ATOM 0 HA SER A 89 2.272 2.373 -9.019 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.364 0.795 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.862 1.129 -10.537 1.00 0.00 H new ATOM 0 HG SER A 89 2.280 -0.936 -10.049 1.00 0.00 H new ATOM 1422 N TYR A 90 1.838 0.865 -6.800 1.00 0.00 N ATOM 1423 CA TYR A 90 2.031 0.390 -5.441 1.00 0.00 C ATOM 1424 C TYR A 90 1.263 -0.911 -5.200 1.00 0.00 C ATOM 1425 O TYR A 90 0.097 -0.885 -4.808 1.00 0.00 O ATOM 1426 CB TYR A 90 1.464 1.479 -4.528 1.00 0.00 C ATOM 1427 CG TYR A 90 2.506 2.133 -3.618 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.791 2.339 -4.077 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.160 2.516 -2.338 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.771 2.954 -3.220 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.141 3.131 -1.481 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.398 3.320 -1.965 1.00 0.00 C ATOM 1433 OH TYR A 90 5.324 3.901 -1.156 1.00 0.00 O ATOM 0 H TYR A 90 0.923 1.277 -6.982 1.00 0.00 H new ATOM 0 HA TYR A 90 3.086 0.192 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.000 2.249 -5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.677 1.047 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.061 2.039 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.154 2.355 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.780 3.121 -3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.884 3.435 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 90 5.482 3.329 -0.376 1.00 0.00 H new ATOM 1443 N VAL A 91 1.947 -2.019 -5.446 1.00 0.00 N ATOM 1444 CA VAL A 91 1.343 -3.328 -5.261 1.00 0.00 C ATOM 1445 C VAL A 91 1.296 -3.657 -3.768 1.00 0.00 C ATOM 1446 O VAL A 91 2.278 -4.138 -3.203 1.00 0.00 O ATOM 1447 CB VAL A 91 2.101 -4.374 -6.080 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.359 -5.712 -6.082 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.347 -3.881 -7.508 1.00 0.00 C ATOM 0 H VAL A 91 2.913 -2.037 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 91 0.316 -3.330 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 91 3.071 -4.530 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.919 -6.438 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.260 -6.074 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.369 -5.578 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.888 -4.644 -8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.392 -3.682 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.937 -2.965 -7.480 1.00 0.00 H new ATOM 1459 N LEU A 92 0.146 -3.384 -3.170 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.042 -3.645 -1.753 1.00 0.00 C ATOM 1461 C LEU A 92 -0.908 -4.894 -1.579 1.00 0.00 C ATOM 1462 O LEU A 92 -1.805 -5.148 -2.382 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.600 -2.406 -1.049 1.00 0.00 C ATOM 1464 CG LEU A 92 0.095 -1.082 -1.371 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.306 0.005 -0.371 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.613 -1.263 -1.443 1.00 0.00 C ATOM 0 H LEU A 92 -0.666 -2.984 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 92 0.915 -3.851 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.655 -2.311 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.547 -2.569 0.027 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.237 -0.752 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.202 0.936 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.384 0.157 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.021 -0.303 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.083 -0.307 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.982 -1.627 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.857 -1.984 -2.223 1.00 0.00 H new ATOM 1478 N MET A 93 -0.610 -5.640 -0.526 1.00 0.00 N ATOM 1479 CA MET A 93 -1.350 -6.857 -0.237 1.00 0.00 C ATOM 1480 C MET A 93 -1.760 -6.912 1.237 1.00 0.00 C ATOM 1481 O MET A 93 -0.999 -6.503 2.112 1.00 0.00 O ATOM 1482 CB MET A 93 -0.486 -8.073 -0.572 1.00 0.00 C ATOM 1483 CG MET A 93 -1.131 -9.363 -0.061 1.00 0.00 C ATOM 1484 SD MET A 93 -0.484 -10.766 -0.955 1.00 0.00 S ATOM 1485 CE MET A 93 1.234 -10.669 -0.481 1.00 0.00 C ATOM 0 H MET A 93 0.134 -5.425 0.138 1.00 0.00 H new ATOM 0 HA MET A 93 -2.253 -6.864 -0.847 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.344 -8.136 -1.651 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.502 -7.955 -0.127 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.936 -9.479 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.213 -9.311 -0.183 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.839 -11.237 -1.187 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.554 -9.627 -0.485 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.359 -11.083 0.519 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.961 -7.422 1.465 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.481 -7.536 2.817 1.00 0.00 C ATOM 1497 C ALA A 94 -3.627 -9.015 3.180 1.00 0.00 C ATOM 1498 O ALA A 94 -3.854 -9.852 2.307 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.805 -6.776 2.922 1.00 0.00 C ATOM 0 H ALA A 94 -3.589 -7.761 0.736 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.791 -7.088 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.194 -6.862 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.641 -5.725 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.524 -7.199 2.220 1.00 0.00 H new ATOM 1505 N SER A 95 -3.491 -9.292 4.468 1.00 0.00 N ATOM 1506 CA SER A 95 -3.605 -10.656 4.956 1.00 0.00 C ATOM 1507 C SER A 95 -5.029 -11.172 4.740 1.00 0.00 C ATOM 1508 O SER A 95 -5.226 -12.238 4.159 1.00 0.00 O ATOM 1509 CB SER A 95 -3.228 -10.744 6.436 1.00 0.00 C ATOM 1510 OG SER A 95 -1.989 -11.422 6.632 1.00 0.00 O ATOM 0 H SER A 95 -3.303 -8.595 5.189 1.00 0.00 H new ATOM 0 HA SER A 95 -2.910 -11.280 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.162 -9.739 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.016 -11.264 6.981 1.00 0.00 H new ATOM 0 HG SER A 95 -1.783 -11.456 7.589 1.00 0.00 H new ATOM 1516 N SER A 96 -5.986 -10.391 5.219 1.00 0.00 N ATOM 1517 CA SER A 96 -7.387 -10.756 5.085 1.00 0.00 C ATOM 1518 C SER A 96 -8.055 -9.884 4.020 1.00 0.00 C ATOM 1519 O SER A 96 -7.388 -9.099 3.348 1.00 0.00 O ATOM 1520 CB SER A 96 -8.121 -10.619 6.420 1.00 0.00 C ATOM 1521 OG SER A 96 -7.419 -11.257 7.484 1.00 0.00 O ATOM 0 H SER A 96 -5.819 -9.507 5.700 1.00 0.00 H new ATOM 0 HA SER A 96 -7.441 -11.800 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.252 -9.563 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.117 -11.052 6.332 1.00 0.00 H new ATOM 0 HG SER A 96 -7.919 -11.145 8.319 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.364 -10.051 3.900 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.129 -9.289 2.928 1.00 0.00 C ATOM 1529 C GLN A 97 -10.749 -8.056 3.589 1.00 0.00 C ATOM 1530 O GLN A 97 -10.669 -6.953 3.051 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.205 -10.159 2.274 1.00 0.00 C ATOM 1532 CG GLN A 97 -11.940 -9.388 1.175 1.00 0.00 C ATOM 1533 CD GLN A 97 -12.738 -10.338 0.280 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -12.757 -11.543 0.469 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.396 -9.729 -0.703 1.00 0.00 N ATOM 0 H GLN A 97 -9.914 -10.703 4.460 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.451 -8.954 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.747 -11.054 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.918 -10.491 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.611 -8.657 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.221 -8.832 0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.337 -8.716 -0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.959 -10.275 -1.355 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.352 -8.285 4.746 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.985 -7.206 5.486 1.00 0.00 C ATOM 1546 C ALA A 98 -11.005 -6.038 5.615 1.00 0.00 C ATOM 1547 O ALA A 98 -11.417 -4.880 5.663 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.453 -7.726 6.847 1.00 0.00 C ATOM 0 H ALA A 98 -11.416 -9.201 5.189 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.865 -6.842 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.928 -6.917 7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.169 -8.535 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.596 -8.097 7.409 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.727 -6.383 5.666 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.685 -5.378 5.788 1.00 0.00 C ATOM 1556 C GLU A 99 -8.446 -4.695 4.440 1.00 0.00 C ATOM 1557 O GLU A 99 -8.367 -3.470 4.366 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.392 -5.991 6.329 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.343 -4.910 6.598 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.824 -4.995 8.035 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -5.367 -6.096 8.409 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -5.895 -3.956 8.726 1.00 0.00 O ATOM 0 H GLU A 99 -9.389 -7.345 5.625 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.017 -4.624 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.601 -6.537 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.000 -6.713 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.513 -5.022 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.777 -3.926 6.422 1.00 0.00 H new ATOM 1569 N MET A 100 -8.336 -5.518 3.407 1.00 0.00 N ATOM 1570 CA MET A 100 -8.108 -5.009 2.066 1.00 0.00 C ATOM 1571 C MET A 100 -9.284 -4.149 1.597 1.00 0.00 C ATOM 1572 O MET A 100 -9.090 -3.149 0.908 1.00 0.00 O ATOM 1573 CB MET A 100 -7.916 -6.181 1.101 1.00 0.00 C ATOM 1574 CG MET A 100 -7.559 -5.684 -0.302 1.00 0.00 C ATOM 1575 SD MET A 100 -7.958 -6.933 -1.512 1.00 0.00 S ATOM 1576 CE MET A 100 -9.741 -6.853 -1.464 1.00 0.00 C ATOM 0 H MET A 100 -8.401 -6.534 3.472 1.00 0.00 H new ATOM 0 HA MET A 100 -7.212 -4.388 2.081 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.127 -6.835 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.829 -6.775 1.059 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.104 -4.766 -0.521 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.497 -5.443 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.140 -7.818 -1.152 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.052 -6.086 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.121 -6.606 -2.455 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.477 -4.570 1.991 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.684 -3.852 1.620 1.00 0.00 C ATOM 1588 C GLU A 101 -11.689 -2.460 2.256 1.00 0.00 C ATOM 1589 O GLU A 101 -12.060 -1.480 1.611 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.934 -4.639 2.016 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.610 -5.249 0.786 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.854 -4.187 -0.288 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.667 -3.278 -0.014 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.221 -4.307 -1.359 1.00 0.00 O ATOM 0 H GLU A 101 -10.633 -5.400 2.564 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.696 -3.736 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.664 -5.429 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.634 -3.982 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.985 -6.045 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.558 -5.704 1.075 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.273 -2.416 3.513 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.225 -1.161 4.243 1.00 0.00 C ATOM 1603 C GLU A 102 -10.149 -0.246 3.654 1.00 0.00 C ATOM 1604 O GLU A 102 -10.396 0.936 3.417 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.984 -1.402 5.734 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.415 -0.190 6.562 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.911 0.083 6.396 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.699 -0.751 6.893 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.234 1.120 5.777 1.00 0.00 O ATOM 0 H GLU A 102 -10.966 -3.230 4.045 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.191 -0.667 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.538 -2.283 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.928 -1.608 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.188 -0.364 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.845 0.687 6.254 1.00 0.00 H new ATOM 1616 N TRP A 103 -8.979 -0.827 3.435 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.864 -0.078 2.879 1.00 0.00 C ATOM 1618 C TRP A 103 -8.333 0.567 1.574 1.00 0.00 C ATOM 1619 O TRP A 103 -8.332 1.791 1.446 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.638 -0.975 2.696 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.735 -1.054 3.928 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.322 -2.149 4.580 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.147 0.059 4.635 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.513 -1.826 5.651 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.403 -0.441 5.685 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.239 1.441 4.395 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.696 0.372 6.579 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.526 2.240 5.297 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.773 1.753 6.359 1.00 0.00 C ATOM 0 H TRP A 103 -8.778 -1.807 3.632 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.548 0.710 3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.971 -1.980 2.438 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.054 -0.606 1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.589 -3.158 4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.077 -2.483 6.298 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.814 1.854 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.122 -0.043 7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.564 3.310 5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.250 2.436 7.011 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.723 -0.284 0.636 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.193 0.188 -0.655 1.00 0.00 C ATOM 1642 C VAL A 104 -10.286 1.238 -0.442 1.00 0.00 C ATOM 1643 O VAL A 104 -10.262 2.298 -1.065 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.658 -0.995 -1.507 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.463 -0.516 -2.717 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.471 -1.856 -1.944 1.00 0.00 C ATOM 0 H VAL A 104 -8.723 -1.298 0.745 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.383 0.668 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.312 -1.614 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.781 -1.376 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.340 0.035 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.842 0.135 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.829 -2.690 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.780 -1.252 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.957 -2.241 -1.063 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.217 0.906 0.439 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.316 1.806 0.742 1.00 0.00 C ATOM 1658 C LYS A 105 -11.775 3.229 0.902 1.00 0.00 C ATOM 1659 O LYS A 105 -12.060 4.101 0.082 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.100 1.306 1.957 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.358 2.147 2.182 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.292 1.477 3.192 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.276 2.220 4.530 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.362 3.225 4.577 1.00 0.00 N ATOM 0 H LYS A 105 -11.233 0.025 0.953 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.029 1.826 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.378 0.262 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.468 1.346 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.078 3.137 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.880 2.287 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.307 1.456 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.987 0.441 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.394 1.510 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.312 2.710 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.337 3.720 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.233 3.912 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.280 2.749 4.466 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.004 3.419 1.962 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.421 4.720 2.240 1.00 0.00 C ATOM 1680 C PHE A 106 -9.607 5.222 1.045 1.00 0.00 C ATOM 1681 O PHE A 106 -9.879 6.297 0.513 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.487 4.545 3.440 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.197 4.603 4.794 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.465 5.806 5.370 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.561 3.453 5.421 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.123 5.860 6.627 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.220 3.507 6.678 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.487 4.709 7.254 1.00 0.00 C ATOM 0 H PHE A 106 -10.769 2.693 2.639 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.209 5.446 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.973 3.588 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.722 5.321 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.177 6.720 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.349 2.498 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.334 6.815 7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.509 2.593 7.176 1.00 0.00 H new ATOM 0 HZ PHE A 106 -11.988 4.750 8.210 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.626 4.420 0.659 1.00 0.00 N ATOM 1699 CA LEU A 107 -7.771 4.770 -0.463 1.00 0.00 C ATOM 1700 C LEU A 107 -8.634 5.300 -1.610 1.00 0.00 C ATOM 1701 O LEU A 107 -8.575 6.484 -1.939 1.00 0.00 O ATOM 1702 CB LEU A 107 -6.889 3.583 -0.855 1.00 0.00 C ATOM 1703 CG LEU A 107 -5.842 3.156 0.176 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.563 1.655 0.085 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.564 3.986 0.034 1.00 0.00 C ATOM 0 H LEU A 107 -8.404 3.529 1.103 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.084 5.569 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.534 2.730 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.376 3.829 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.243 3.349 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.815 1.378 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.483 1.102 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.191 1.414 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.836 3.663 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.149 3.847 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.796 5.040 0.187 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.414 4.399 -2.187 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.288 4.761 -3.290 1.00 0.00 C ATOM 1719 C ARG A 108 -11.195 5.926 -2.888 1.00 0.00 C ATOM 1720 O ARG A 108 -11.240 6.947 -3.572 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.153 3.575 -3.720 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.439 2.730 -4.777 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.447 2.021 -5.684 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.254 0.556 -5.607 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.137 -0.343 -6.063 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.278 0.068 -6.632 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.878 -1.653 -5.950 1.00 0.00 N ATOM 0 H ARG A 108 -9.459 3.418 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.658 5.059 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.387 2.957 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.101 3.937 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.788 3.366 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.802 1.993 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.463 2.279 -5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.323 2.359 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.395 0.209 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.475 1.065 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.950 -0.616 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.009 -1.966 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.550 -2.337 -6.297 1.00 0.00 H new ATOM 1741 N ARG A 109 -11.895 5.734 -1.780 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.799 6.756 -1.279 1.00 0.00 C ATOM 1743 C ARG A 109 -12.200 8.147 -1.496 1.00 0.00 C ATOM 1744 O ARG A 109 -12.653 8.893 -2.362 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.082 6.557 0.212 1.00 0.00 C ATOM 1746 CG ARG A 109 -13.917 7.712 0.769 1.00 0.00 C ATOM 1747 CD ARG A 109 -13.084 8.585 1.711 1.00 0.00 C ATOM 1748 NE ARG A 109 -13.922 9.060 2.835 1.00 0.00 N ATOM 1749 CZ ARG A 109 -13.441 9.680 3.920 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -12.126 9.905 4.036 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -14.276 10.075 4.891 1.00 0.00 N ATOM 0 H ARG A 109 -11.855 4.886 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.735 6.670 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.610 5.615 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.141 6.487 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -14.299 8.318 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.781 7.317 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.237 8.016 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.676 9.436 1.166 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.929 8.905 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.490 9.604 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.760 10.377 4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.278 9.903 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.910 10.547 5.718 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.189 8.452 -0.696 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.523 9.740 -0.790 1.00 0.00 C ATOM 1767 C VAL A 110 -10.232 10.053 -2.259 1.00 0.00 C ATOM 1768 O VAL A 110 -10.511 11.155 -2.730 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.266 9.745 0.083 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.555 11.098 0.013 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.602 9.375 1.529 1.00 0.00 C ATOM 0 H VAL A 110 -10.815 7.829 0.020 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.169 10.532 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.584 8.989 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.665 11.074 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.265 11.304 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.227 11.881 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.692 9.386 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.312 10.097 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.043 8.378 1.557 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.675 9.064 -2.942 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.344 9.220 -4.348 1.00 0.00 C ATOM 1783 C ALA A 111 -10.588 9.671 -5.115 1.00 0.00 C ATOM 1784 O ALA A 111 -10.493 10.474 -6.042 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.772 7.906 -4.887 1.00 0.00 C ATOM 0 H ALA A 111 -9.445 8.152 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.581 9.987 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.524 8.023 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.873 7.645 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.512 7.114 -4.774 1.00 0.00 H new