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 : amide:sc= -1.26 K(o=-1.8,f=-1.1) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= -1.21 USER MOD Set 1.3: A 50 CYS SG : rot 29:sc= 0.69 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 152:sc= 0.984 (180deg=0.513) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.37) USER MOD Single : A 11 MET CE :methyl -145:sc= -4.87! (180deg=-6.91!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.6!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.974 K(o=-0.97,f=-2.9!) 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= -0.373 K(o=-0.37,f=-2.6) USER MOD Single : A 51 MET CE :methyl -164:sc= -0.734 (180deg=-1.68!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 98:sc= -3.86! 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 -23:sc= -1.72 USER MOD Single : A 90 TYR OH : rot 110:sc= -0.0844 USER MOD Single : A 93 MET CE :methyl -154:sc= -9.14! (180deg=-9.57!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 100 MET CE :methyl 145:sc= -0.381 (180deg=-1.62!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -5.950 8.406 9.704 1.00 0.00 N ATOM 81 CA ILE A 9 -7.311 7.967 9.445 1.00 0.00 C ATOM 82 C ILE A 9 -7.364 6.438 9.478 1.00 0.00 C ATOM 83 O ILE A 9 -8.101 5.856 10.273 1.00 0.00 O ATOM 84 CB ILE A 9 -7.830 8.572 8.139 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.047 10.079 8.281 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.095 7.852 7.666 1.00 0.00 C ATOM 87 CD1 ILE A 9 -7.536 10.826 7.048 1.00 0.00 C ATOM 0 HA ILE A 9 -7.982 8.327 10.225 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.071 8.428 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.108 10.285 8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.531 10.442 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.443 8.301 6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.873 6.798 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.871 7.943 8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.703 11.896 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.470 10.637 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.071 10.478 6.164 1.00 0.00 H new ATOM 99 N LYS A 10 -6.573 5.831 8.605 1.00 0.00 N ATOM 100 CA LYS A 10 -6.521 4.381 8.525 1.00 0.00 C ATOM 101 C LYS A 10 -5.062 3.924 8.582 1.00 0.00 C ATOM 102 O LYS A 10 -4.270 4.254 7.700 1.00 0.00 O ATOM 103 CB LYS A 10 -7.273 3.886 7.288 1.00 0.00 C ATOM 104 CG LYS A 10 -7.003 2.400 7.041 1.00 0.00 C ATOM 105 CD LYS A 10 -8.300 1.591 7.091 1.00 0.00 C ATOM 106 CE LYS A 10 -8.071 0.228 7.748 1.00 0.00 C ATOM 107 NZ LYS A 10 -9.028 0.021 8.859 1.00 0.00 N ATOM 0 H LYS A 10 -5.963 6.317 7.947 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.029 3.933 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.343 4.048 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.967 4.465 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.526 2.270 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.307 2.024 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.057 2.144 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.685 1.452 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.187 -0.563 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.050 0.166 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.088 -0.993 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.703 0.541 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.967 0.370 8.578 1.00 0.00 H new ATOM 121 N MET A 11 -4.751 3.171 9.627 1.00 0.00 N ATOM 122 CA MET A 11 -3.401 2.665 9.810 1.00 0.00 C ATOM 123 C MET A 11 -3.391 1.136 9.856 1.00 0.00 C ATOM 124 O MET A 11 -4.358 0.518 10.299 1.00 0.00 O ATOM 125 CB MET A 11 -2.820 3.220 11.112 1.00 0.00 C ATOM 126 CG MET A 11 -3.216 4.685 11.309 1.00 0.00 C ATOM 127 SD MET A 11 -4.381 4.827 12.653 1.00 0.00 S ATOM 128 CE MET A 11 -5.843 5.307 11.747 1.00 0.00 C ATOM 0 H MET A 11 -5.411 2.899 10.356 1.00 0.00 H new ATOM 0 HA MET A 11 -2.794 2.988 8.965 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.175 2.627 11.955 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.734 3.132 11.096 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.330 5.284 11.520 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.656 5.078 10.392 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.432 6.000 12.348 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.551 5.792 10.815 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.440 4.423 11.524 1.00 0.00 H new ATOM 138 N GLY A 12 -2.286 0.570 9.394 1.00 0.00 N ATOM 139 CA GLY A 12 -2.136 -0.875 9.377 1.00 0.00 C ATOM 140 C GLY A 12 -0.850 -1.285 8.657 1.00 0.00 C ATOM 141 O GLY A 12 -0.299 -0.512 7.875 1.00 0.00 O ATOM 0 H GLY A 12 -1.486 1.086 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.122 -1.255 10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.995 -1.327 8.881 1.00 0.00 H new ATOM 145 N TRP A 13 -0.409 -2.501 8.947 1.00 0.00 N ATOM 146 CA TRP A 13 0.802 -3.023 8.337 1.00 0.00 C ATOM 147 C TRP A 13 0.400 -3.815 7.091 1.00 0.00 C ATOM 148 O TRP A 13 -0.114 -4.927 7.198 1.00 0.00 O ATOM 149 CB TRP A 13 1.607 -3.853 9.339 1.00 0.00 C ATOM 150 CG TRP A 13 2.527 -3.023 10.237 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.182 -2.085 11.130 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.967 -3.095 10.293 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.290 -1.550 11.755 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.410 -2.184 11.230 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.866 -3.904 9.576 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.763 -1.994 11.535 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.215 -3.703 9.892 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.677 -2.789 10.833 1.00 0.00 C ATOM 0 H TRP A 13 -0.869 -3.139 9.596 1.00 0.00 H new ATOM 0 HA TRP A 13 1.463 -2.211 8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.916 -4.417 9.966 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.208 -4.580 8.793 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.165 -1.785 11.335 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.287 -0.823 12.471 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.541 -4.624 8.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.084 -1.273 12.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.948 -4.299 9.369 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.736 -2.693 11.021 1.00 0.00 H new ATOM 169 N LEU A 14 0.650 -3.211 5.939 1.00 0.00 N ATOM 170 CA LEU A 14 0.321 -3.846 4.674 1.00 0.00 C ATOM 171 C LEU A 14 1.606 -4.337 4.005 1.00 0.00 C ATOM 172 O LEU A 14 2.663 -3.725 4.159 1.00 0.00 O ATOM 173 CB LEU A 14 -0.506 -2.902 3.800 1.00 0.00 C ATOM 174 CG LEU A 14 -1.991 -2.789 4.152 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.582 -1.482 3.620 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.766 -4.011 3.657 1.00 0.00 C ATOM 0 H LEU A 14 1.077 -2.288 5.855 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.307 -4.722 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.063 -1.907 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.423 -3.231 2.764 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.084 -2.767 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.638 -1.426 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.053 -0.637 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.476 -1.450 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.819 -3.905 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.669 -4.089 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.364 -4.910 4.124 1.00 0.00 H new ATOM 188 N LYS A 15 1.474 -5.435 3.276 1.00 0.00 N ATOM 189 CA LYS A 15 2.612 -6.015 2.583 1.00 0.00 C ATOM 190 C LYS A 15 2.803 -5.304 1.242 1.00 0.00 C ATOM 191 O LYS A 15 1.922 -5.343 0.384 1.00 0.00 O ATOM 192 CB LYS A 15 2.448 -7.531 2.458 1.00 0.00 C ATOM 193 CG LYS A 15 3.295 -8.262 3.501 1.00 0.00 C ATOM 194 CD LYS A 15 3.422 -9.748 3.160 1.00 0.00 C ATOM 195 CE LYS A 15 3.039 -10.620 4.357 1.00 0.00 C ATOM 196 NZ LYS A 15 3.976 -11.759 4.490 1.00 0.00 N ATOM 0 H LYS A 15 0.596 -5.939 3.150 1.00 0.00 H new ATOM 0 HA LYS A 15 3.526 -5.863 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.399 -7.798 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.741 -7.851 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.286 -7.811 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.843 -8.149 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.780 -9.986 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.445 -9.969 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.052 -10.023 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.022 -10.991 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.702 -12.341 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.944 -12.338 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.942 -11.399 4.630 1.00 0.00 H new ATOM 210 N LYS A 16 3.959 -4.671 1.103 1.00 0.00 N ATOM 211 CA LYS A 16 4.276 -3.952 -0.119 1.00 0.00 C ATOM 212 C LYS A 16 5.375 -4.702 -0.876 1.00 0.00 C ATOM 213 O LYS A 16 6.406 -5.045 -0.300 1.00 0.00 O ATOM 214 CB LYS A 16 4.627 -2.496 0.191 1.00 0.00 C ATOM 215 CG LYS A 16 5.025 -1.745 -1.081 1.00 0.00 C ATOM 216 CD LYS A 16 5.203 -0.251 -0.803 1.00 0.00 C ATOM 217 CE LYS A 16 6.527 0.260 -1.373 1.00 0.00 C ATOM 218 NZ LYS A 16 7.596 0.180 -0.352 1.00 0.00 N ATOM 0 H LYS A 16 4.687 -4.641 1.817 1.00 0.00 H new ATOM 0 HA LYS A 16 3.406 -3.913 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.773 -2.004 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.446 -2.461 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.953 -2.158 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.262 -1.888 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.375 0.305 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.172 -0.072 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.805 -0.330 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.412 1.291 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.516 0.062 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.604 1.054 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.419 -0.632 0.273 1.00 0.00 H new ATOM 232 N GLN A 17 5.116 -4.934 -2.154 1.00 0.00 N ATOM 233 CA GLN A 17 6.070 -5.636 -2.996 1.00 0.00 C ATOM 234 C GLN A 17 7.224 -4.708 -3.379 1.00 0.00 C ATOM 235 O GLN A 17 7.094 -3.895 -4.294 1.00 0.00 O ATOM 236 CB GLN A 17 5.387 -6.206 -4.241 1.00 0.00 C ATOM 237 CG GLN A 17 6.369 -7.034 -5.073 1.00 0.00 C ATOM 238 CD GLN A 17 5.701 -7.558 -6.347 1.00 0.00 C ATOM 239 OE1 GLN A 17 6.014 -7.151 -7.454 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.768 -8.479 -6.129 1.00 0.00 N ATOM 0 H GLN A 17 4.259 -4.648 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 17 6.477 -6.474 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.542 -6.827 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.988 -5.392 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.233 -6.424 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.738 -7.871 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.556 -8.774 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.264 -8.891 -6.915 1.00 0.00 H new ATOM 341 N ASN A 23 8.863 -10.150 -3.728 1.00 0.00 N ATOM 342 CA ASN A 23 8.695 -10.414 -2.309 1.00 0.00 C ATOM 343 C ASN A 23 7.612 -9.491 -1.748 1.00 0.00 C ATOM 344 O ASN A 23 7.118 -8.609 -2.449 1.00 0.00 O ATOM 345 CB ASN A 23 9.991 -10.144 -1.541 1.00 0.00 C ATOM 346 CG ASN A 23 10.181 -11.159 -0.413 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.508 -12.175 -0.336 1.00 0.00 O ATOM 348 ND2 ASN A 23 11.131 -10.830 0.457 1.00 0.00 N ATOM 0 HA ASN A 23 8.418 -11.462 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.839 -10.191 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.970 -9.136 -1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.333 -11.443 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.657 -9.965 0.334 1.00 0.00 H new ATOM 355 N TRP A 24 7.274 -9.725 -0.488 1.00 0.00 N ATOM 356 CA TRP A 24 6.258 -8.925 0.175 1.00 0.00 C ATOM 357 C TRP A 24 6.830 -8.450 1.512 1.00 0.00 C ATOM 358 O TRP A 24 7.053 -9.253 2.417 1.00 0.00 O ATOM 359 CB TRP A 24 4.955 -9.712 0.328 1.00 0.00 C ATOM 360 CG TRP A 24 4.359 -10.193 -0.996 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.627 -11.327 -1.657 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.377 -9.503 -1.799 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.893 -11.419 -2.823 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.109 -10.274 -2.911 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.738 -8.269 -1.591 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.196 -9.897 -3.903 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.828 -7.906 -2.592 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.547 -8.671 -3.718 1.00 0.00 C ATOM 0 H TRP A 24 7.686 -10.457 0.091 1.00 0.00 H new ATOM 0 HA TRP A 24 6.002 -8.051 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.137 -10.576 0.968 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.223 -9.086 0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.329 -12.075 -1.320 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.921 -12.185 -3.496 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.933 -7.650 -0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.003 -10.519 -4.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.308 -6.966 -2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.831 -8.321 -4.447 1.00 0.00 H new ATOM 379 N GLN A 25 7.050 -7.146 1.595 1.00 0.00 N ATOM 380 CA GLN A 25 7.592 -6.554 2.807 1.00 0.00 C ATOM 381 C GLN A 25 6.478 -5.882 3.612 1.00 0.00 C ATOM 382 O GLN A 25 5.842 -4.943 3.135 1.00 0.00 O ATOM 383 CB GLN A 25 8.708 -5.560 2.480 1.00 0.00 C ATOM 384 CG GLN A 25 9.900 -6.268 1.832 1.00 0.00 C ATOM 385 CD GLN A 25 11.190 -5.474 2.042 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.577 -4.643 1.237 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.834 -5.775 3.167 1.00 0.00 N ATOM 0 H GLN A 25 6.863 -6.483 0.843 1.00 0.00 H new ATOM 0 HA GLN A 25 8.025 -7.349 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.329 -4.790 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.031 -5.057 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.010 -7.266 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.716 -6.394 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.455 -6.481 3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.706 -5.300 3.398 1.00 0.00 H new ATOM 396 N GLN A 26 6.277 -6.388 4.820 1.00 0.00 N ATOM 397 CA GLN A 26 5.251 -5.848 5.696 1.00 0.00 C ATOM 398 C GLN A 26 5.634 -4.440 6.157 1.00 0.00 C ATOM 399 O GLN A 26 6.453 -4.279 7.060 1.00 0.00 O ATOM 400 CB GLN A 26 5.012 -6.770 6.893 1.00 0.00 C ATOM 401 CG GLN A 26 3.585 -6.621 7.424 1.00 0.00 C ATOM 402 CD GLN A 26 2.788 -7.911 7.226 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.311 -9.011 7.296 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.497 -7.716 6.974 1.00 0.00 N ATOM 0 H GLN A 26 6.807 -7.166 5.213 1.00 0.00 H new ATOM 0 HA GLN A 26 4.318 -5.785 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.189 -7.805 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.724 -6.537 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.612 -6.365 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.086 -5.799 6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.124 -6.768 6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.880 -8.515 6.826 1.00 0.00 H new ATOM 413 N ARG A 27 5.022 -3.455 5.514 1.00 0.00 N ATOM 414 CA ARG A 27 5.288 -2.066 5.846 1.00 0.00 C ATOM 415 C ARG A 27 4.083 -1.451 6.559 1.00 0.00 C ATOM 416 O ARG A 27 2.943 -1.836 6.304 1.00 0.00 O ATOM 417 CB ARG A 27 5.601 -1.250 4.591 1.00 0.00 C ATOM 418 CG ARG A 27 6.949 -0.538 4.722 1.00 0.00 C ATOM 419 CD ARG A 27 8.057 -1.525 5.096 1.00 0.00 C ATOM 420 NE ARG A 27 9.298 -1.196 4.359 1.00 0.00 N ATOM 421 CZ ARG A 27 9.515 -1.512 3.075 1.00 0.00 C ATOM 422 NH1 ARG A 27 8.577 -2.166 2.378 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.672 -1.173 2.489 1.00 0.00 N ATOM 0 H ARG A 27 4.343 -3.592 4.765 1.00 0.00 H new ATOM 0 HA ARG A 27 6.155 -2.043 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.615 -1.906 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.813 -0.516 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.197 -0.046 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.880 0.242 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.241 -1.488 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.744 -2.542 4.861 1.00 0.00 H new ATOM 0 HE ARG A 27 10.034 -0.698 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.697 -2.424 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.743 -2.406 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.386 -0.675 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.838 -1.413 1.512 1.00 0.00 H new ATOM 437 N TYR A 28 4.376 -0.504 7.439 1.00 0.00 N ATOM 438 CA TYR A 28 3.330 0.168 8.190 1.00 0.00 C ATOM 439 C TYR A 28 2.733 1.324 7.385 1.00 0.00 C ATOM 440 O TYR A 28 3.293 2.418 7.353 1.00 0.00 O ATOM 441 CB TYR A 28 4.005 0.731 9.443 1.00 0.00 C ATOM 442 CG TYR A 28 3.026 1.201 10.520 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.667 1.066 10.324 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.502 1.760 11.689 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.745 1.508 11.338 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.581 2.203 12.703 1.00 0.00 C ATOM 447 CZ TYR A 28 1.248 2.055 12.477 1.00 0.00 C ATOM 448 OH TYR A 28 0.377 2.473 13.435 1.00 0.00 O ATOM 0 H TYR A 28 5.323 -0.187 7.648 1.00 0.00 H new ATOM 0 HA TYR A 28 2.522 -0.525 8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.656 -0.034 9.867 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.642 1.568 9.155 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.294 0.629 9.410 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.566 1.865 11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.321 1.407 11.197 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.940 2.643 13.622 1.00 0.00 H new ATOM 0 HH TYR A 28 0.877 2.841 14.193 1.00 0.00 H new ATOM 458 N PHE A 29 1.602 1.042 6.754 1.00 0.00 N ATOM 459 CA PHE A 29 0.923 2.044 5.950 1.00 0.00 C ATOM 460 C PHE A 29 -0.051 2.861 6.802 1.00 0.00 C ATOM 461 O PHE A 29 -0.755 2.310 7.647 1.00 0.00 O ATOM 462 CB PHE A 29 0.136 1.295 4.873 1.00 0.00 C ATOM 463 CG PHE A 29 0.967 0.919 3.644 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.657 -0.253 3.623 1.00 0.00 C ATOM 465 CD2 PHE A 29 1.015 1.756 2.574 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.427 -0.602 2.483 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.786 1.407 1.434 1.00 0.00 C ATOM 468 CZ PHE A 29 2.476 0.235 1.412 1.00 0.00 C ATOM 0 H PHE A 29 1.139 0.134 6.783 1.00 0.00 H new ATOM 0 HA PHE A 29 1.651 2.731 5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.282 0.387 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.704 1.913 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.619 -0.918 4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.467 2.686 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.974 -1.533 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.825 2.072 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.062 -0.031 0.545 1.00 0.00 H new ATOM 478 N VAL A 30 -0.061 4.161 6.549 1.00 0.00 N ATOM 479 CA VAL A 30 -0.937 5.060 7.282 1.00 0.00 C ATOM 480 C VAL A 30 -1.660 5.978 6.294 1.00 0.00 C ATOM 481 O VAL A 30 -1.027 6.600 5.442 1.00 0.00 O ATOM 482 CB VAL A 30 -0.137 5.827 8.336 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.837 7.135 8.711 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.110 4.962 9.574 1.00 0.00 C ATOM 0 H VAL A 30 0.524 4.614 5.846 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.699 4.496 7.820 1.00 0.00 H new ATOM 0 HB VAL A 30 0.832 6.078 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.247 7.661 9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.937 7.761 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.826 6.916 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.681 5.531 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.845 4.666 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.671 4.072 9.290 1.00 0.00 H new ATOM 494 N LEU A 31 -2.975 6.034 6.442 1.00 0.00 N ATOM 495 CA LEU A 31 -3.791 6.866 5.573 1.00 0.00 C ATOM 496 C LEU A 31 -4.067 8.202 6.266 1.00 0.00 C ATOM 497 O LEU A 31 -4.889 8.274 7.178 1.00 0.00 O ATOM 498 CB LEU A 31 -5.058 6.119 5.151 1.00 0.00 C ATOM 499 CG LEU A 31 -5.506 6.325 3.703 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.223 5.083 3.169 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.365 7.584 3.568 1.00 0.00 C ATOM 0 H LEU A 31 -3.496 5.517 7.150 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.258 7.089 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.899 5.053 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.872 6.423 5.809 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.618 6.474 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.531 5.256 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.548 4.228 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.102 4.879 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.670 7.707 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.250 7.490 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.788 8.454 3.882 1.00 0.00 H new ATOM 513 N ARG A 32 -3.363 9.227 5.807 1.00 0.00 N ATOM 514 CA ARG A 32 -3.522 10.556 6.372 1.00 0.00 C ATOM 515 C ARG A 32 -3.898 11.556 5.276 1.00 0.00 C ATOM 516 O ARG A 32 -3.424 11.452 4.146 1.00 0.00 O ATOM 517 CB ARG A 32 -2.235 11.021 7.057 1.00 0.00 C ATOM 518 CG ARG A 32 -2.236 10.643 8.539 1.00 0.00 C ATOM 519 CD ARG A 32 -0.808 10.533 9.078 1.00 0.00 C ATOM 520 NE ARG A 32 -0.383 11.828 9.653 1.00 0.00 N ATOM 521 CZ ARG A 32 -0.616 12.200 10.919 1.00 0.00 C ATOM 522 NH1 ARG A 32 -1.271 11.378 11.750 1.00 0.00 N ATOM 523 NH2 ARG A 32 -0.193 13.395 11.355 1.00 0.00 N ATOM 0 H ARG A 32 -2.682 9.164 5.051 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.318 10.508 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.373 10.571 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.134 12.101 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.787 11.392 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.754 9.694 8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.757 9.754 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.129 10.241 8.276 1.00 0.00 H new ATOM 0 HE ARG A 32 0.119 12.478 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.593 10.468 11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.448 11.662 12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.306 14.021 10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.370 13.678 12.319 1.00 0.00 H new ATOM 537 N ALA A 33 -4.747 12.503 5.650 1.00 0.00 N ATOM 538 CA ALA A 33 -5.192 13.520 4.713 1.00 0.00 C ATOM 539 C ALA A 33 -5.434 12.878 3.346 1.00 0.00 C ATOM 540 O ALA A 33 -5.893 11.740 3.263 1.00 0.00 O ATOM 541 CB ALA A 33 -4.159 14.647 4.654 1.00 0.00 C ATOM 0 H ALA A 33 -5.138 12.587 6.588 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.134 13.959 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.493 15.410 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.047 15.090 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.201 14.245 4.325 1.00 0.00 H new ATOM 547 N GLN A 34 -5.115 13.636 2.307 1.00 0.00 N ATOM 548 CA GLN A 34 -5.292 13.156 0.947 1.00 0.00 C ATOM 549 C GLN A 34 -3.974 12.602 0.404 1.00 0.00 C ATOM 550 O GLN A 34 -3.550 12.962 -0.693 1.00 0.00 O ATOM 551 CB GLN A 34 -5.838 14.261 0.041 1.00 0.00 C ATOM 552 CG GLN A 34 -7.126 14.854 0.614 1.00 0.00 C ATOM 553 CD GLN A 34 -7.427 16.219 -0.009 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.217 16.349 -0.930 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.755 17.225 0.542 1.00 0.00 N ATOM 0 H GLN A 34 -4.735 14.580 2.380 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.025 12.349 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.091 15.046 -0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.030 13.859 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.958 14.174 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.034 14.956 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.109 17.046 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.886 18.176 0.196 1.00 0.00 H new ATOM 564 N GLN A 35 -3.361 11.735 1.197 1.00 0.00 N ATOM 565 CA GLN A 35 -2.099 11.128 0.810 1.00 0.00 C ATOM 566 C GLN A 35 -1.879 9.824 1.579 1.00 0.00 C ATOM 567 O GLN A 35 -2.214 9.731 2.759 1.00 0.00 O ATOM 568 CB GLN A 35 -0.935 12.097 1.028 1.00 0.00 C ATOM 569 CG GLN A 35 -0.523 12.764 -0.285 1.00 0.00 C ATOM 570 CD GLN A 35 0.923 13.259 -0.219 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.290 14.075 0.612 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.722 12.723 -1.137 1.00 0.00 N ATOM 0 H GLN A 35 -3.715 11.438 2.106 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.141 10.896 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.222 12.859 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.085 11.561 1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.631 12.056 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.188 13.601 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.351 12.046 -1.803 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.706 12.989 -1.175 1.00 0.00 H new ATOM 581 N LEU A 36 -1.316 8.850 0.879 1.00 0.00 N ATOM 582 CA LEU A 36 -1.048 7.555 1.481 1.00 0.00 C ATOM 583 C LEU A 36 0.441 7.453 1.818 1.00 0.00 C ATOM 584 O LEU A 36 1.291 7.599 0.941 1.00 0.00 O ATOM 585 CB LEU A 36 -1.552 6.428 0.577 1.00 0.00 C ATOM 586 CG LEU A 36 -1.394 5.008 1.124 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.082 4.609 1.194 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.093 4.860 2.477 1.00 0.00 C ATOM 0 H LEU A 36 -1.038 8.932 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.596 7.450 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.608 6.601 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.025 6.490 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.881 4.320 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.167 3.595 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.518 4.649 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.614 5.298 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.965 3.841 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.657 5.559 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.156 5.074 2.363 1.00 0.00 H new ATOM 600 N TYR A 37 0.712 7.204 3.091 1.00 0.00 N ATOM 601 CA TYR A 37 2.084 7.081 3.555 1.00 0.00 C ATOM 602 C TYR A 37 2.356 5.676 4.096 1.00 0.00 C ATOM 603 O TYR A 37 1.425 4.912 4.344 1.00 0.00 O ATOM 604 CB TYR A 37 2.236 8.092 4.693 1.00 0.00 C ATOM 605 CG TYR A 37 1.619 9.460 4.398 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.300 9.707 4.723 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.380 10.447 3.806 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.281 10.995 4.445 1.00 0.00 C ATOM 609 CE2 TYR A 37 1.799 11.735 3.528 1.00 0.00 C ATOM 610 CZ TYR A 37 0.497 11.945 3.861 1.00 0.00 C ATOM 611 OH TYR A 37 -0.051 13.162 3.599 1.00 0.00 O ATOM 0 H TYR A 37 0.005 7.084 3.816 1.00 0.00 H new ATOM 0 HA TYR A 37 2.783 7.262 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.775 7.683 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.296 8.222 4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.296 8.934 5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.412 10.254 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.311 11.202 4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.384 12.516 3.066 1.00 0.00 H new ATOM 0 HH TYR A 37 0.621 13.741 3.182 1.00 0.00 H new ATOM 621 N TYR A 38 3.636 5.379 4.262 1.00 0.00 N ATOM 622 CA TYR A 38 4.042 4.079 4.769 1.00 0.00 C ATOM 623 C TYR A 38 5.463 4.131 5.335 1.00 0.00 C ATOM 624 O TYR A 38 6.391 4.563 4.653 1.00 0.00 O ATOM 625 CB TYR A 38 4.019 3.132 3.568 1.00 0.00 C ATOM 626 CG TYR A 38 5.345 3.057 2.808 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.368 2.263 3.283 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.517 3.785 1.648 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.616 2.192 2.567 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.765 3.715 0.933 1.00 0.00 C ATOM 631 CZ TYR A 38 7.753 2.922 1.428 1.00 0.00 C ATOM 632 OH TYR A 38 8.932 2.856 0.752 1.00 0.00 O ATOM 0 H TYR A 38 4.405 6.016 4.055 1.00 0.00 H new ATOM 0 HA TYR A 38 3.378 3.755 5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.752 2.133 3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.236 3.452 2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.233 1.695 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.716 4.407 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.425 1.573 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.913 4.279 0.024 1.00 0.00 H new ATOM 0 HH TYR A 38 8.886 3.428 -0.042 1.00 0.00 H new ATOM 642 N TYR A 39 5.588 3.684 6.576 1.00 0.00 N ATOM 643 CA TYR A 39 6.880 3.675 7.241 1.00 0.00 C ATOM 644 C TYR A 39 7.387 2.244 7.433 1.00 0.00 C ATOM 645 O TYR A 39 6.607 1.294 7.387 1.00 0.00 O ATOM 646 CB TYR A 39 6.653 4.311 8.613 1.00 0.00 C ATOM 647 CG TYR A 39 5.906 5.646 8.564 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.536 5.664 8.394 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.601 6.831 8.689 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.833 6.920 8.348 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.898 8.087 8.643 1.00 0.00 C ATOM 652 CZ TYR A 39 4.549 8.069 8.475 1.00 0.00 C ATOM 653 OH TYR A 39 3.884 9.255 8.431 1.00 0.00 O ATOM 0 H TYR A 39 4.816 3.326 7.138 1.00 0.00 H new ATOM 0 HA TYR A 39 7.620 4.213 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.092 3.615 9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.618 4.464 9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.992 4.736 8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.673 6.817 8.821 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.762 6.949 8.216 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.430 9.022 8.740 1.00 0.00 H new ATOM 0 HH TYR A 39 4.522 9.992 8.536 1.00 0.00 H new ATOM 789 N GLN A 48 8.280 6.861 4.151 1.00 0.00 N ATOM 790 CA GLN A 48 9.146 6.303 3.126 1.00 0.00 C ATOM 791 C GLN A 48 8.637 6.686 1.735 1.00 0.00 C ATOM 792 O GLN A 48 9.427 6.892 0.816 1.00 0.00 O ATOM 793 CB GLN A 48 9.258 4.784 3.270 1.00 0.00 C ATOM 794 CG GLN A 48 10.327 4.408 4.298 1.00 0.00 C ATOM 795 CD GLN A 48 11.732 4.639 3.738 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.920 5.230 2.687 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.705 4.142 4.496 1.00 0.00 N ATOM 0 HA GLN A 48 10.144 6.721 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.296 4.372 3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.504 4.341 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.191 5.000 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.212 3.362 4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.478 3.658 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.678 4.245 4.209 1.00 0.00 H new ATOM 806 N GLY A 49 7.319 6.770 1.625 1.00 0.00 N ATOM 807 CA GLY A 49 6.695 7.125 0.361 1.00 0.00 C ATOM 808 C GLY A 49 5.381 7.874 0.590 1.00 0.00 C ATOM 809 O GLY A 49 4.844 7.869 1.697 1.00 0.00 O ATOM 0 H GLY A 49 6.666 6.598 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.375 7.746 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.507 6.223 -0.222 1.00 0.00 H new ATOM 813 N CYS A 50 4.900 8.500 -0.474 1.00 0.00 N ATOM 814 CA CYS A 50 3.659 9.251 -0.403 1.00 0.00 C ATOM 815 C CYS A 50 2.969 9.170 -1.767 1.00 0.00 C ATOM 816 O CYS A 50 3.547 9.555 -2.782 1.00 0.00 O ATOM 817 CB CYS A 50 3.898 10.699 0.030 1.00 0.00 C ATOM 818 SG CYS A 50 4.924 11.563 -1.214 1.00 0.00 S ATOM 0 H CYS A 50 5.348 8.502 -1.390 1.00 0.00 H new ATOM 0 HA CYS A 50 3.011 8.815 0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.945 11.214 0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.394 10.720 1.000 1.00 0.00 H new ATOM 0 HG CYS A 50 4.714 11.042 -2.387 1.00 0.00 H new ATOM 824 N MET A 51 1.744 8.667 -1.746 1.00 0.00 N ATOM 825 CA MET A 51 0.970 8.531 -2.968 1.00 0.00 C ATOM 826 C MET A 51 -0.269 9.427 -2.935 1.00 0.00 C ATOM 827 O MET A 51 -1.070 9.352 -2.005 1.00 0.00 O ATOM 828 CB MET A 51 0.541 7.072 -3.141 1.00 0.00 C ATOM 829 CG MET A 51 0.582 6.659 -4.613 1.00 0.00 C ATOM 830 SD MET A 51 2.199 6.024 -5.024 1.00 0.00 S ATOM 831 CE MET A 51 1.737 4.669 -6.091 1.00 0.00 C ATOM 0 H MET A 51 1.268 8.349 -0.902 1.00 0.00 H new ATOM 0 HA MET A 51 1.594 8.838 -3.807 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.198 6.425 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.467 6.937 -2.750 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.176 5.900 -4.808 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.346 7.515 -5.246 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.585 3.995 -6.211 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.902 4.126 -5.649 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.441 5.058 -7.065 1.00 0.00 H new ATOM 841 N TYR A 52 -0.388 10.256 -3.962 1.00 0.00 N ATOM 842 CA TYR A 52 -1.516 11.166 -4.063 1.00 0.00 C ATOM 843 C TYR A 52 -2.816 10.402 -4.326 1.00 0.00 C ATOM 844 O TYR A 52 -3.029 9.893 -5.425 1.00 0.00 O ATOM 845 CB TYR A 52 -1.221 12.073 -5.259 1.00 0.00 C ATOM 846 CG TYR A 52 -1.844 13.466 -5.152 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.826 14.140 -3.948 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.425 14.049 -6.260 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.413 15.451 -3.847 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.011 15.361 -6.160 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.976 15.997 -4.958 1.00 0.00 C ATOM 852 OH TYR A 52 -3.530 17.235 -4.863 1.00 0.00 O ATOM 0 H TYR A 52 0.279 10.316 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.642 11.725 -3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.141 12.176 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.586 11.591 -6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.371 13.684 -3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.440 13.521 -7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.406 15.988 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.468 15.829 -7.020 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.893 17.499 -5.734 1.00 0.00 H new ATOM 862 N LEU A 53 -3.650 10.346 -3.298 1.00 0.00 N ATOM 863 CA LEU A 53 -4.922 9.652 -3.404 1.00 0.00 C ATOM 864 C LEU A 53 -5.776 10.324 -4.481 1.00 0.00 C ATOM 865 O LEU A 53 -6.409 9.646 -5.289 1.00 0.00 O ATOM 866 CB LEU A 53 -5.606 9.575 -2.037 1.00 0.00 C ATOM 867 CG LEU A 53 -4.864 8.781 -0.960 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.778 8.485 0.230 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.251 7.506 -1.543 1.00 0.00 C ATOM 0 H LEU A 53 -3.470 10.770 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.768 8.619 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.759 10.590 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.593 9.133 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.042 9.393 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.226 7.920 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.125 9.423 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.635 7.901 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.730 6.960 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.041 6.879 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.546 7.769 -2.331 1.00 0.00 H new ATOM 881 N PRO A 54 -5.765 11.684 -4.458 1.00 0.00 N ATOM 882 CA PRO A 54 -6.531 12.455 -5.423 1.00 0.00 C ATOM 883 C PRO A 54 -5.857 12.439 -6.797 1.00 0.00 C ATOM 884 O PRO A 54 -5.573 13.492 -7.365 1.00 0.00 O ATOM 885 CB PRO A 54 -6.627 13.849 -4.825 1.00 0.00 C ATOM 886 CG PRO A 54 -5.526 13.932 -3.781 1.00 0.00 C ATOM 887 CD PRO A 54 -5.027 12.520 -3.516 1.00 0.00 C ATOM 0 HA PRO A 54 -7.524 12.042 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.496 14.613 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.606 14.014 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.712 14.565 -4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.904 14.382 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.952 12.443 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.218 12.219 -2.486 1.00 0.00 H new ATOM 895 N GLY A 55 -5.621 11.232 -7.290 1.00 0.00 N ATOM 896 CA GLY A 55 -4.985 11.065 -8.586 1.00 0.00 C ATOM 897 C GLY A 55 -4.253 9.724 -8.669 1.00 0.00 C ATOM 898 O GLY A 55 -3.125 9.657 -9.155 1.00 0.00 O ATOM 0 H GLY A 55 -5.859 10.361 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.736 11.123 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.281 11.879 -8.757 1.00 0.00 H new ATOM 902 N CYS A 56 -4.925 8.688 -8.186 1.00 0.00 N ATOM 903 CA CYS A 56 -4.352 7.353 -8.200 1.00 0.00 C ATOM 904 C CYS A 56 -5.418 6.378 -8.703 1.00 0.00 C ATOM 905 O CYS A 56 -6.576 6.756 -8.881 1.00 0.00 O ATOM 906 CB CYS A 56 -3.818 6.953 -6.823 1.00 0.00 C ATOM 907 SG CYS A 56 -1.995 7.111 -6.789 1.00 0.00 S ATOM 0 H CYS A 56 -5.860 8.747 -7.783 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.494 7.330 -8.872 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.261 7.586 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.107 5.927 -6.596 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.668 8.248 -6.251 1.00 0.00 H new ATOM 913 N THR A 57 -4.991 5.143 -8.919 1.00 0.00 N ATOM 914 CA THR A 57 -5.894 4.111 -9.398 1.00 0.00 C ATOM 915 C THR A 57 -5.704 2.821 -8.598 1.00 0.00 C ATOM 916 O THR A 57 -4.659 2.179 -8.687 1.00 0.00 O ATOM 917 CB THR A 57 -5.657 3.935 -10.899 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.195 5.120 -11.478 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.504 2.810 -11.498 1.00 0.00 C ATOM 0 H THR A 57 -4.030 4.833 -8.771 1.00 0.00 H new ATOM 0 HA THR A 57 -6.935 4.397 -9.249 1.00 0.00 H new ATOM 0 HB THR A 57 -4.602 3.729 -11.077 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.081 5.089 -12.451 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.297 2.728 -12.565 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.258 1.868 -11.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.561 3.031 -11.349 1.00 0.00 H new ATOM 927 N ILE A 58 -6.731 2.480 -7.833 1.00 0.00 N ATOM 928 CA ILE A 58 -6.690 1.279 -7.017 1.00 0.00 C ATOM 929 C ILE A 58 -7.205 0.093 -7.836 1.00 0.00 C ATOM 930 O ILE A 58 -8.394 0.014 -8.139 1.00 0.00 O ATOM 931 CB ILE A 58 -7.448 1.496 -5.706 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.716 2.495 -4.808 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.704 0.166 -4.994 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.501 3.803 -4.688 1.00 0.00 C ATOM 0 H ILE A 58 -7.597 3.015 -7.761 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.664 1.048 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.421 1.928 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.571 2.062 -3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.725 2.697 -5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.244 0.349 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.298 -0.483 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.752 -0.317 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.958 4.495 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.623 4.246 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.482 3.601 -4.258 1.00 0.00 H new ATOM 946 N LYS A 59 -6.283 -0.798 -8.171 1.00 0.00 N ATOM 947 CA LYS A 59 -6.629 -1.975 -8.949 1.00 0.00 C ATOM 948 C LYS A 59 -6.342 -3.230 -8.122 1.00 0.00 C ATOM 949 O LYS A 59 -5.378 -3.267 -7.358 1.00 0.00 O ATOM 950 CB LYS A 59 -5.914 -1.953 -10.301 1.00 0.00 C ATOM 951 CG LYS A 59 -6.023 -0.574 -10.956 1.00 0.00 C ATOM 952 CD LYS A 59 -6.288 -0.700 -12.458 1.00 0.00 C ATOM 953 CE LYS A 59 -5.251 -1.606 -13.124 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.672 -1.953 -14.499 1.00 0.00 N ATOM 0 H LYS A 59 -5.297 -0.728 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.695 -1.980 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.864 -2.213 -10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.347 -2.707 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.828 -0.007 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.102 -0.015 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.287 -1.103 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.263 0.287 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.284 -1.104 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.123 -2.515 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.957 -2.568 -14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.584 -2.451 -14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.771 -1.084 -15.061 1.00 0.00 H new ATOM 968 N GLU A 60 -7.195 -4.228 -8.303 1.00 0.00 N ATOM 969 CA GLU A 60 -7.044 -5.481 -7.583 1.00 0.00 C ATOM 970 C GLU A 60 -6.233 -6.477 -8.415 1.00 0.00 C ATOM 971 O GLU A 60 -6.756 -7.081 -9.350 1.00 0.00 O ATOM 972 CB GLU A 60 -8.408 -6.064 -7.206 1.00 0.00 C ATOM 973 CG GLU A 60 -9.112 -5.186 -6.169 1.00 0.00 C ATOM 974 CD GLU A 60 -10.619 -5.452 -6.158 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.239 -5.243 -7.223 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.115 -5.858 -5.086 1.00 0.00 O ATOM 0 H GLU A 60 -7.993 -4.194 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.502 -5.283 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.030 -6.150 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.280 -7.071 -6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.697 -5.381 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.926 -4.135 -6.391 1.00 0.00 H new ATOM 983 N ILE A 61 -4.969 -6.617 -8.044 1.00 0.00 N ATOM 984 CA ILE A 61 -4.081 -7.529 -8.744 1.00 0.00 C ATOM 985 C ILE A 61 -4.409 -8.967 -8.338 1.00 0.00 C ATOM 986 O ILE A 61 -4.209 -9.351 -7.187 1.00 0.00 O ATOM 987 CB ILE A 61 -2.620 -7.141 -8.507 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.412 -5.638 -8.703 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.683 -7.969 -9.389 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.964 -5.180 -10.054 1.00 0.00 C ATOM 0 H ILE A 61 -4.539 -6.114 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.235 -7.459 -9.821 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.371 -7.367 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.906 -5.091 -7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.349 -5.403 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.651 -7.673 -9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.806 -9.027 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.924 -7.797 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.803 -4.108 -10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.451 -5.711 -10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.032 -5.394 -10.102 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.597 -11.468 -2.004 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.753 -10.075 -1.622 1.00 0.00 C ATOM 1125 C PHE A 71 -5.470 -9.286 -1.887 1.00 0.00 C ATOM 1126 O PHE A 71 -4.609 -9.182 -1.014 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.050 -10.054 -0.121 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.043 -11.126 0.332 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.160 -11.372 -0.403 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.809 -11.833 1.471 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.082 -12.367 0.018 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.730 -12.827 1.891 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.848 -13.074 1.156 1.00 0.00 C ATOM 0 HA PHE A 71 -7.554 -9.618 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.116 -10.184 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.442 -9.073 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.346 -10.811 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.922 -11.637 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.969 -12.562 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.544 -13.388 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.549 -13.831 1.476 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.381 -8.750 -3.095 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.217 -7.974 -3.487 1.00 0.00 C ATOM 1145 C VAL A 72 -4.661 -6.809 -4.374 1.00 0.00 C ATOM 1146 O VAL A 72 -5.505 -6.980 -5.253 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.186 -8.880 -4.162 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.942 -8.088 -4.568 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.816 -10.057 -3.257 1.00 0.00 C ATOM 0 H VAL A 72 -6.097 -8.838 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.730 -7.548 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.636 -9.283 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.225 -8.756 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.224 -7.300 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.489 -7.643 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.082 -10.686 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.394 -9.681 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.709 -10.644 -3.040 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.073 -5.651 -4.113 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.397 -4.458 -4.877 1.00 0.00 C ATOM 1161 C PHE A 73 -3.199 -3.510 -4.949 1.00 0.00 C ATOM 1162 O PHE A 73 -2.501 -3.310 -3.956 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.544 -3.757 -4.147 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.138 -3.123 -2.815 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.839 -3.913 -1.749 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.077 -1.770 -2.696 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.463 -3.325 -0.513 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.700 -1.182 -1.460 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.401 -1.972 -0.394 1.00 0.00 C ATOM 0 H PHE A 73 -3.374 -5.513 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.670 -4.732 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.955 -2.983 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.341 -4.478 -3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.888 -4.988 -1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.315 -1.142 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.226 -3.953 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.651 -0.107 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.115 -1.525 0.546 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.997 -2.951 -6.133 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.895 -2.029 -6.347 1.00 0.00 C ATOM 1181 C GLU A 74 -2.424 -0.609 -6.561 1.00 0.00 C ATOM 1182 O GLU A 74 -3.553 -0.426 -7.015 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.028 -2.474 -7.527 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.473 -1.792 -8.822 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.900 -2.510 -10.045 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.260 -3.564 -9.836 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.114 -1.990 -11.161 1.00 0.00 O ATOM 0 H GLU A 74 -3.578 -3.119 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.267 -2.032 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.016 -2.235 -7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.091 -3.556 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.562 -1.784 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.146 -0.752 -8.820 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.584 0.359 -6.224 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.954 1.756 -6.373 1.00 0.00 C ATOM 1196 C ILE A 75 -1.106 2.388 -7.479 1.00 0.00 C ATOM 1197 O ILE A 75 0.121 2.395 -7.398 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.854 2.483 -5.031 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.513 1.669 -3.916 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.433 3.896 -5.128 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.945 2.052 -2.548 1.00 0.00 C ATOM 0 H ILE A 75 -0.649 0.203 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.996 1.843 -6.680 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.799 2.584 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.590 1.837 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.354 0.606 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.349 4.391 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.880 4.465 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.482 3.840 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.431 1.459 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.872 1.860 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.127 3.110 -2.362 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.795 2.902 -8.487 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.121 3.535 -9.608 1.00 0.00 C ATOM 1215 C ILE A 76 -1.266 5.054 -9.494 1.00 0.00 C ATOM 1216 O ILE A 76 -2.333 5.554 -9.143 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.634 2.966 -10.933 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.490 1.443 -10.968 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.942 3.635 -12.122 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.856 0.766 -11.097 1.00 0.00 C ATOM 0 H ILE A 76 -2.813 2.893 -8.551 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.054 3.314 -9.584 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.698 3.191 -11.012 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.856 1.153 -11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.994 1.100 -10.060 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.325 3.212 -13.051 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.140 4.707 -12.102 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.133 3.463 -12.061 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.725 -0.316 -11.120 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.479 1.038 -10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.338 1.092 -12.018 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.148 5.763 -9.806 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.141 7.215 -9.742 1.00 0.00 C ATOM 1234 C PRO A 77 -0.897 7.820 -10.926 1.00 0.00 C ATOM 1235 O PRO A 77 -1.513 7.097 -11.708 1.00 0.00 O ATOM 1236 CB PRO A 77 1.329 7.600 -9.716 1.00 0.00 C ATOM 1237 CG PRO A 77 2.087 6.388 -10.234 1.00 0.00 C ATOM 1238 CD PRO A 77 1.133 5.204 -10.226 1.00 0.00 C ATOM 0 HA PRO A 77 -0.656 7.600 -8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.515 8.473 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.647 7.857 -8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.459 6.572 -11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.955 6.184 -9.607 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.061 4.747 -11.213 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.471 4.428 -9.539 1.00 0.00 H new ATOM 1411 N SER A 89 3.693 0.583 -10.128 1.00 0.00 N ATOM 1412 CA SER A 89 2.678 1.000 -9.175 1.00 0.00 C ATOM 1413 C SER A 89 3.017 0.465 -7.782 1.00 0.00 C ATOM 1414 O SER A 89 4.037 -0.199 -7.599 1.00 0.00 O ATOM 1415 CB SER A 89 1.290 0.521 -9.604 1.00 0.00 C ATOM 1416 OG SER A 89 1.246 -0.891 -9.788 1.00 0.00 O ATOM 0 HA SER A 89 2.664 2.090 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.557 0.811 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.006 1.017 -10.532 1.00 0.00 H new ATOM 0 HG SER A 89 2.149 -1.226 -9.969 1.00 0.00 H new ATOM 1422 N TYR A 90 2.143 0.774 -6.836 1.00 0.00 N ATOM 1423 CA TYR A 90 2.337 0.333 -5.465 1.00 0.00 C ATOM 1424 C TYR A 90 1.548 -0.948 -5.185 1.00 0.00 C ATOM 1425 O TYR A 90 0.388 -0.891 -4.781 1.00 0.00 O ATOM 1426 CB TYR A 90 1.794 1.456 -4.579 1.00 0.00 C ATOM 1427 CG TYR A 90 2.880 2.276 -3.878 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.126 2.406 -4.455 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.612 2.885 -2.669 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.148 3.177 -3.796 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.633 3.656 -2.009 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.851 3.764 -2.605 1.00 0.00 C ATOM 1433 OH TYR A 90 5.816 4.493 -1.982 1.00 0.00 O ATOM 0 H TYR A 90 1.299 1.325 -6.992 1.00 0.00 H new ATOM 0 HA TYR A 90 3.390 0.123 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.185 2.124 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.136 1.024 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.335 1.929 -5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.636 2.783 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.128 3.287 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.436 4.138 -1.062 1.00 0.00 H new ATOM 0 HH TYR A 90 5.580 5.444 -2.015 1.00 0.00 H new ATOM 1443 N VAL A 91 2.210 -2.074 -5.409 1.00 0.00 N ATOM 1444 CA VAL A 91 1.585 -3.366 -5.186 1.00 0.00 C ATOM 1445 C VAL A 91 1.486 -3.626 -3.682 1.00 0.00 C ATOM 1446 O VAL A 91 2.478 -3.967 -3.040 1.00 0.00 O ATOM 1447 CB VAL A 91 2.358 -4.456 -5.931 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.767 -5.839 -5.647 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.392 -4.174 -7.435 1.00 0.00 C ATOM 0 H VAL A 91 3.173 -2.118 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 91 0.571 -3.374 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 91 3.385 -4.448 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.335 -6.596 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.818 -6.044 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.727 -5.864 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.947 -4.964 -7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.374 -4.141 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.879 -3.216 -7.615 1.00 0.00 H new ATOM 1459 N LEU A 92 0.279 -3.456 -3.163 1.00 0.00 N ATOM 1460 CA LEU A 92 0.036 -3.668 -1.746 1.00 0.00 C ATOM 1461 C LEU A 92 -0.853 -4.900 -1.564 1.00 0.00 C ATOM 1462 O LEU A 92 -1.651 -5.229 -2.440 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.531 -2.401 -1.103 1.00 0.00 C ATOM 1464 CG LEU A 92 0.190 -1.095 -1.446 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.346 0.064 -0.605 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.705 -1.252 -1.306 1.00 0.00 C ATOM 0 H LEU A 92 -0.542 -3.174 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 92 0.972 -3.870 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.576 -2.304 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.515 -2.528 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.014 -0.856 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.183 0.980 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.411 0.192 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.193 -0.152 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.193 -0.310 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.949 -1.527 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.054 -2.032 -1.983 1.00 0.00 H new ATOM 1478 N MET A 93 -0.684 -5.549 -0.421 1.00 0.00 N ATOM 1479 CA MET A 93 -1.460 -6.737 -0.113 1.00 0.00 C ATOM 1480 C MET A 93 -1.872 -6.756 1.361 1.00 0.00 C ATOM 1481 O MET A 93 -1.120 -6.308 2.225 1.00 0.00 O ATOM 1482 CB MET A 93 -0.632 -7.985 -0.428 1.00 0.00 C ATOM 1483 CG MET A 93 -1.323 -9.247 0.093 1.00 0.00 C ATOM 1484 SD MET A 93 -0.790 -10.667 -0.849 1.00 0.00 S ATOM 1485 CE MET A 93 0.955 -10.651 -0.474 1.00 0.00 C ATOM 0 H MET A 93 -0.020 -5.274 0.303 1.00 0.00 H new ATOM 0 HA MET A 93 -2.363 -6.726 -0.723 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.484 -8.065 -1.505 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.356 -7.894 0.024 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.089 -9.391 1.148 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.405 -9.136 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.506 -11.130 -1.283 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.294 -9.621 -0.365 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.132 -11.192 0.455 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.065 -7.280 1.602 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.586 -7.363 2.956 1.00 0.00 C ATOM 1497 C ALA A 94 -3.743 -8.834 3.348 1.00 0.00 C ATOM 1498 O ALA A 94 -3.884 -9.698 2.484 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.906 -6.593 3.044 1.00 0.00 C ATOM 0 H ALA A 94 -3.686 -7.651 0.883 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.893 -6.905 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.297 -6.655 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.736 -5.548 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.627 -7.026 2.351 1.00 0.00 H new ATOM 1505 N SER A 95 -3.712 -9.072 4.651 1.00 0.00 N ATOM 1506 CA SER A 95 -3.849 -10.423 5.168 1.00 0.00 C ATOM 1507 C SER A 95 -5.267 -10.938 4.918 1.00 0.00 C ATOM 1508 O SER A 95 -5.455 -11.939 4.227 1.00 0.00 O ATOM 1509 CB SER A 95 -3.520 -10.477 6.661 1.00 0.00 C ATOM 1510 OG SER A 95 -2.192 -10.936 6.899 1.00 0.00 O ATOM 0 H SER A 95 -3.594 -8.352 5.364 1.00 0.00 H new ATOM 0 HA SER A 95 -3.140 -11.063 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.644 -9.485 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.227 -11.136 7.164 1.00 0.00 H new ATOM 0 HG SER A 95 -2.020 -10.955 7.864 1.00 0.00 H new ATOM 1516 N SER A 96 -6.229 -10.232 5.492 1.00 0.00 N ATOM 1517 CA SER A 96 -7.625 -10.605 5.340 1.00 0.00 C ATOM 1518 C SER A 96 -8.269 -9.781 4.223 1.00 0.00 C ATOM 1519 O SER A 96 -7.602 -8.971 3.581 1.00 0.00 O ATOM 1520 CB SER A 96 -8.392 -10.414 6.650 1.00 0.00 C ATOM 1521 OG SER A 96 -8.650 -9.040 6.923 1.00 0.00 O ATOM 0 H SER A 96 -6.069 -9.403 6.064 1.00 0.00 H new ATOM 0 HA SER A 96 -7.669 -11.661 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.336 -10.957 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.820 -10.845 7.471 1.00 0.00 H new ATOM 0 HG SER A 96 -9.143 -8.961 7.766 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.558 -10.015 4.026 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.299 -9.304 2.998 1.00 0.00 C ATOM 1529 C GLN A 97 -10.917 -8.029 3.575 1.00 0.00 C ATOM 1530 O GLN A 97 -10.922 -6.986 2.922 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.372 -10.200 2.377 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.256 -9.409 1.411 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.128 -10.345 0.572 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.771 -11.252 1.075 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.112 -10.077 -0.730 1.00 0.00 N ATOM 0 H GLN A 97 -10.108 -10.687 4.561 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.605 -9.022 2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.898 -11.027 1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.987 -10.636 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.890 -8.722 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.632 -8.803 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.551 -9.302 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.660 -10.646 -1.375 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.423 -8.153 4.793 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.043 -7.024 5.466 1.00 0.00 C ATOM 1546 C ALA A 98 -11.004 -5.916 5.654 1.00 0.00 C ATOM 1547 O ALA A 98 -11.356 -4.743 5.767 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.647 -7.488 6.792 1.00 0.00 C ATOM 0 H ALA A 98 -11.416 -9.019 5.332 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.855 -6.617 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.112 -6.641 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.399 -8.254 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.861 -7.901 7.425 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.745 -6.328 5.681 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.653 -5.385 5.853 1.00 0.00 C ATOM 1556 C GLU A 99 -8.357 -4.668 4.534 1.00 0.00 C ATOM 1557 O GLU A 99 -8.084 -3.469 4.523 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.403 -6.086 6.389 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.276 -5.082 6.639 1.00 0.00 C ATOM 1560 CD GLU A 99 -6.462 -4.370 7.980 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.051 -4.964 9.000 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -7.012 -3.248 7.956 1.00 0.00 O ATOM 0 H GLU A 99 -9.457 -7.302 5.587 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.955 -4.640 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.643 -6.607 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.071 -6.841 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.316 -5.598 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.253 -4.348 5.834 1.00 0.00 H new ATOM 1569 N MET A 100 -8.420 -5.434 3.455 1.00 0.00 N ATOM 1570 CA MET A 100 -8.162 -4.888 2.133 1.00 0.00 C ATOM 1571 C MET A 100 -9.327 -4.012 1.666 1.00 0.00 C ATOM 1572 O MET A 100 -9.116 -2.986 1.020 1.00 0.00 O ATOM 1573 CB MET A 100 -7.952 -6.032 1.140 1.00 0.00 C ATOM 1574 CG MET A 100 -7.634 -5.493 -0.257 1.00 0.00 C ATOM 1575 SD MET A 100 -7.976 -6.743 -1.485 1.00 0.00 S ATOM 1576 CE MET A 100 -9.745 -6.888 -1.296 1.00 0.00 C ATOM 0 H MET A 100 -8.646 -6.429 3.469 1.00 0.00 H new ATOM 0 HA MET A 100 -7.265 -4.271 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.137 -6.670 1.482 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.847 -6.652 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.230 -4.602 -0.457 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.587 -5.195 -0.311 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.200 -7.084 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.972 -7.710 -0.617 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.145 -5.959 -0.889 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.529 -4.448 2.010 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.727 -3.717 1.633 1.00 0.00 C ATOM 1588 C GLU A 101 -11.731 -2.333 2.285 1.00 0.00 C ATOM 1589 O GLU A 101 -12.156 -1.355 1.671 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.987 -4.501 2.005 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.670 -5.064 0.757 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.935 -3.960 -0.269 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.840 -3.140 0.000 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.226 -3.960 -1.299 1.00 0.00 O ATOM 0 H GLU A 101 -10.700 -5.299 2.546 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.725 -3.588 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.727 -5.316 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.679 -3.851 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.042 -5.836 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.610 -5.539 1.036 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.252 -2.294 3.520 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.194 -1.045 4.261 1.00 0.00 C ATOM 1603 C GLU A 102 -10.177 -0.097 3.625 1.00 0.00 C ATOM 1604 O GLU A 102 -10.531 0.997 3.187 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.864 -1.297 5.733 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.872 -0.599 6.649 1.00 0.00 C ATOM 1607 CD GLU A 102 -13.285 -1.142 6.422 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.539 -2.274 6.886 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -14.078 -0.411 5.790 1.00 0.00 O ATOM 0 H GLU A 102 -10.901 -3.107 4.026 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.176 -0.573 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.868 -2.369 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.859 -0.936 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.585 -0.745 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.856 0.475 6.462 1.00 0.00 H new ATOM 1616 N TRP A 103 -8.932 -0.549 3.593 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.860 0.246 3.018 1.00 0.00 C ATOM 1618 C TRP A 103 -8.343 0.783 1.669 1.00 0.00 C ATOM 1619 O TRP A 103 -8.339 1.992 1.442 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.570 -0.570 2.910 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.649 -0.441 4.124 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.380 -1.364 5.058 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -4.881 0.722 4.501 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.498 -0.884 6.005 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.185 0.425 5.656 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.778 1.982 3.888 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.338 1.337 6.296 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -3.926 2.882 4.540 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.219 2.599 5.702 1.00 0.00 C ATOM 0 H TRP A 103 -8.641 -1.457 3.956 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.616 1.091 3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.827 -1.620 2.772 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.026 -0.255 2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.801 -2.359 5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.141 -1.395 6.812 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.314 2.236 2.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.805 1.081 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.810 3.866 4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.581 3.349 6.145 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.747 -0.141 0.810 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.231 0.225 -0.510 1.00 0.00 C ATOM 1642 C VAL A 104 -10.358 1.250 -0.369 1.00 0.00 C ATOM 1643 O VAL A 104 -10.354 2.280 -1.041 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.655 -1.028 -1.278 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.435 -0.659 -2.542 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.443 -1.899 -1.617 1.00 0.00 C ATOM 0 H VAL A 104 -8.749 -1.143 1.002 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.437 0.693 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.316 -1.608 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.724 -1.568 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.329 -0.099 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.808 -0.047 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.772 -2.783 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.747 -1.330 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.946 -2.205 -0.696 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.297 0.931 0.510 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.429 1.811 0.747 1.00 0.00 C ATOM 1658 C LYS A 105 -11.920 3.229 1.017 1.00 0.00 C ATOM 1659 O LYS A 105 -12.209 4.151 0.256 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.316 1.254 1.863 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.524 2.160 2.107 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.299 3.058 3.326 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.068 2.536 4.541 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.980 3.578 5.063 1.00 0.00 N ATOM 0 H LYS A 105 -11.297 0.076 1.066 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.063 1.862 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.656 0.253 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.736 1.160 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.705 2.776 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.415 1.551 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.235 3.104 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.620 4.074 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.639 1.650 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.368 2.234 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.494 3.208 5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.428 4.413 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.660 3.847 4.323 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.170 3.357 2.102 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.618 4.647 2.481 1.00 0.00 C ATOM 1680 C PHE A 106 -9.801 5.251 1.338 1.00 0.00 C ATOM 1681 O PHE A 106 -9.955 6.427 1.014 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.696 4.404 3.678 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.416 4.405 5.028 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.752 5.583 5.619 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.721 3.228 5.637 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.420 5.584 6.872 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.389 3.228 6.890 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.725 4.406 7.481 1.00 0.00 C ATOM 0 H PHE A 106 -10.932 2.589 2.730 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.424 5.340 2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.192 3.446 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.923 5.172 3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.511 6.518 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.455 2.293 5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.686 6.520 7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.630 2.293 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.234 4.406 8.434 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.949 4.418 0.757 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.107 4.855 -0.343 1.00 0.00 C ATOM 1700 C LEU A 107 -8.989 5.376 -1.479 1.00 0.00 C ATOM 1701 O LEU A 107 -9.013 6.575 -1.752 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.155 3.735 -0.767 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.096 3.330 0.260 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.637 1.888 0.035 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.922 4.312 0.254 1.00 0.00 C ATOM 0 H LEU A 107 -8.824 3.443 1.028 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.469 5.682 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.749 2.855 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.647 4.043 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.548 3.374 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.884 1.626 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.490 1.216 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.209 1.794 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.184 4.001 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.463 4.324 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.282 5.311 0.499 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.693 4.448 -2.111 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.575 4.798 -3.212 1.00 0.00 C ATOM 1719 C ARG A 108 -11.489 5.958 -2.811 1.00 0.00 C ATOM 1720 O ARG A 108 -11.705 6.882 -3.594 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.434 3.603 -3.631 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.252 3.293 -5.118 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.014 1.798 -5.341 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.001 1.498 -6.790 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.105 1.326 -7.531 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.315 1.425 -6.964 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.998 1.057 -8.839 1.00 0.00 N ATOM 0 H ARG A 108 -9.671 3.454 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.951 5.096 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.163 2.730 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.483 3.815 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.136 3.610 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.409 3.862 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.066 1.501 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.796 1.220 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.096 1.417 -7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.396 1.631 -5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.155 1.294 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.077 0.983 -9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.838 0.926 -9.403 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.001 5.873 -1.592 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.887 6.904 -1.079 1.00 0.00 C ATOM 1743 C ARG A 109 -12.252 8.285 -1.255 1.00 0.00 C ATOM 1744 O ARG A 109 -12.819 9.153 -1.916 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.195 6.677 0.403 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.032 7.825 0.970 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.678 7.428 2.300 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.119 7.159 2.102 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.067 8.107 2.105 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.732 9.390 2.295 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.351 7.770 1.918 1.00 0.00 N ATOM 0 H ARG A 109 -11.819 5.106 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.818 6.854 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.731 5.736 0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.264 6.590 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.402 8.702 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.806 8.104 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.186 6.542 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.546 8.226 3.031 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.409 6.192 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.755 9.646 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.454 10.111 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.606 6.793 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.073 8.491 1.920 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.083 8.445 -0.651 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.365 9.706 -0.733 1.00 0.00 C ATOM 1767 C VAL A 110 -10.079 10.030 -2.201 1.00 0.00 C ATOM 1768 O VAL A 110 -10.384 11.126 -2.669 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.098 9.643 0.123 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.161 10.809 -0.198 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.445 9.612 1.613 1.00 0.00 C ATOM 0 H VAL A 110 -10.616 7.723 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.972 10.518 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.575 8.718 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.269 10.740 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.875 10.767 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.671 11.751 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.527 9.567 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.000 10.512 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.055 8.734 1.826 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.496 9.058 -2.886 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.166 9.226 -4.291 1.00 0.00 C ATOM 1783 C ALA A 111 -10.397 9.736 -5.043 1.00 0.00 C ATOM 1784 O ALA A 111 -10.276 10.528 -5.976 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.645 7.903 -4.856 1.00 0.00 C ATOM 0 H ALA A 111 -9.243 8.151 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.375 9.966 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.398 8.030 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.753 7.599 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.413 7.136 -4.753 1.00 0.00 H new