USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 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 95 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.955 K(o=1.7,f=-0.38) USER MOD Set 2.2: A 37 TYR OH : rot -146:sc= 0.708 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -171:sc= 1.98 (180deg=1.88) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 90 TYR OH : rot -151:sc= 0.139! USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0.505 (180deg=0.465) 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= -1.28 K(o=-1.3,f=-1.9) USER MOD Single : A 23 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.028) USER MOD Single : A 25 GLN : amide:sc= -0.0917 K(o=-0.092,f=-5.8!) USER MOD Single : A 26 GLN : amide:sc= -0.727 K(o=-0.73,f=-2.8!) 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= -0.705 K(o=-0.7,f=-2.6!) USER MOD Single : A 50 CYS SG : rot 29:sc= 0.0785 USER MOD Single : A 51 MET CE :methyl -179:sc= -0.447 (180deg=-0.449) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 109:sc= -1.54! 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 -33:sc= 0 USER MOD Single : A 93 MET CE :methyl -128:sc= -5.66! (180deg=-9.9!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 100 MET CE :methyl 128:sc= -0.337 (180deg=-1.37!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.330 8.536 8.853 1.00 0.00 N ATOM 81 CA ILE A 9 -7.637 7.952 8.609 1.00 0.00 C ATOM 82 C ILE A 9 -7.612 6.473 8.999 1.00 0.00 C ATOM 83 O ILE A 9 -8.367 6.044 9.870 1.00 0.00 O ATOM 84 CB ILE A 9 -8.072 8.199 7.162 1.00 0.00 C ATOM 85 CG1 ILE A 9 -7.681 9.605 6.704 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.569 7.935 6.988 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.536 10.666 7.400 1.00 0.00 C ATOM 0 HA ILE A 9 -8.391 8.433 9.232 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.543 7.494 6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.628 9.782 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.802 9.686 5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.853 8.118 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.788 6.899 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.134 8.600 7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.238 11.656 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.587 10.501 7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.394 10.598 8.479 1.00 0.00 H new ATOM 99 N LYS A 10 -6.735 5.734 8.336 1.00 0.00 N ATOM 100 CA LYS A 10 -6.601 4.312 8.603 1.00 0.00 C ATOM 101 C LYS A 10 -5.117 3.958 8.725 1.00 0.00 C ATOM 102 O LYS A 10 -4.300 4.408 7.923 1.00 0.00 O ATOM 103 CB LYS A 10 -7.343 3.496 7.543 1.00 0.00 C ATOM 104 CG LYS A 10 -6.964 2.016 7.626 1.00 0.00 C ATOM 105 CD LYS A 10 -8.197 1.124 7.466 1.00 0.00 C ATOM 106 CE LYS A 10 -7.830 -0.353 7.626 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.191 -0.833 8.979 1.00 0.00 N ATOM 0 H LYS A 10 -6.110 6.093 7.614 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.069 4.057 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.419 3.608 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.106 3.881 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.236 1.779 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.486 1.813 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.947 1.398 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.644 1.287 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.348 -0.946 6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.761 -0.489 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.046 -1.861 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.592 -0.362 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.189 -0.614 9.170 1.00 0.00 H new ATOM 121 N MET A 11 -4.814 3.155 9.734 1.00 0.00 N ATOM 122 CA MET A 11 -3.444 2.735 9.971 1.00 0.00 C ATOM 123 C MET A 11 -3.356 1.217 10.137 1.00 0.00 C ATOM 124 O MET A 11 -4.093 0.632 10.929 1.00 0.00 O ATOM 125 CB MET A 11 -2.911 3.419 11.233 1.00 0.00 C ATOM 126 CG MET A 11 -3.184 4.924 11.197 1.00 0.00 C ATOM 127 SD MET A 11 -3.841 5.462 12.767 1.00 0.00 S ATOM 128 CE MET A 11 -5.454 6.028 12.250 1.00 0.00 C ATOM 0 H MET A 11 -5.494 2.784 10.397 1.00 0.00 H new ATOM 0 HA MET A 11 -2.842 3.022 9.109 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.380 2.981 12.114 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.839 3.242 11.322 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.264 5.464 10.974 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.890 5.155 10.399 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.003 6.400 13.115 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.342 6.829 11.519 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.003 5.201 11.800 1.00 0.00 H new ATOM 138 N GLY A 12 -2.448 0.622 9.378 1.00 0.00 N ATOM 139 CA GLY A 12 -2.254 -0.817 9.431 1.00 0.00 C ATOM 140 C GLY A 12 -0.954 -1.221 8.734 1.00 0.00 C ATOM 141 O GLY A 12 -0.329 -0.406 8.057 1.00 0.00 O ATOM 0 H GLY A 12 -1.838 1.111 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.231 -1.146 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.097 -1.319 8.956 1.00 0.00 H new ATOM 145 N TRP A 13 -0.584 -2.479 8.923 1.00 0.00 N ATOM 146 CA TRP A 13 0.630 -3.002 8.321 1.00 0.00 C ATOM 147 C TRP A 13 0.240 -3.763 7.053 1.00 0.00 C ATOM 148 O TRP A 13 -0.452 -4.778 7.122 1.00 0.00 O ATOM 149 CB TRP A 13 1.411 -3.861 9.318 1.00 0.00 C ATOM 150 CG TRP A 13 2.410 -3.074 10.169 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.158 -2.067 11.017 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.838 -3.272 10.221 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.315 -1.603 11.609 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.369 -2.359 11.110 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.655 -4.191 9.540 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.736 -2.277 11.399 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.019 -4.096 9.840 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.569 -3.183 10.732 1.00 0.00 C ATOM 0 H TRP A 13 -1.105 -3.152 9.485 1.00 0.00 H new ATOM 0 HA TRP A 13 1.304 -2.191 8.046 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.705 -4.365 9.978 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.947 -4.637 8.772 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.173 -1.669 11.212 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.384 -0.845 12.288 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.261 -4.914 8.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.127 -1.554 12.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.691 -4.780 9.343 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.634 -3.173 10.910 1.00 0.00 H new ATOM 169 N LEU A 14 0.700 -3.245 5.924 1.00 0.00 N ATOM 170 CA LEU A 14 0.408 -3.863 4.642 1.00 0.00 C ATOM 171 C LEU A 14 1.716 -4.301 3.981 1.00 0.00 C ATOM 172 O LEU A 14 2.744 -3.642 4.135 1.00 0.00 O ATOM 173 CB LEU A 14 -0.436 -2.927 3.775 1.00 0.00 C ATOM 174 CG LEU A 14 -1.904 -2.779 4.180 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.539 -1.560 3.507 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.684 -4.063 3.891 1.00 0.00 C ATOM 0 H LEU A 14 1.274 -2.403 5.870 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.195 -4.760 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.025 -1.939 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.398 -3.284 2.746 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.946 -2.611 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.582 -1.478 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.002 -0.659 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.485 -1.673 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.724 -3.931 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.636 -4.286 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.248 -4.888 4.454 1.00 0.00 H new ATOM 188 N LYS A 15 1.636 -5.409 3.260 1.00 0.00 N ATOM 189 CA LYS A 15 2.801 -5.942 2.575 1.00 0.00 C ATOM 190 C LYS A 15 2.954 -5.247 1.221 1.00 0.00 C ATOM 191 O LYS A 15 2.024 -5.235 0.416 1.00 0.00 O ATOM 192 CB LYS A 15 2.715 -7.467 2.477 1.00 0.00 C ATOM 193 CG LYS A 15 3.433 -8.133 3.652 1.00 0.00 C ATOM 194 CD LYS A 15 3.466 -9.654 3.483 1.00 0.00 C ATOM 195 CE LYS A 15 4.859 -10.209 3.790 1.00 0.00 C ATOM 196 NZ LYS A 15 4.756 -11.479 4.542 1.00 0.00 N ATOM 0 H LYS A 15 0.782 -5.953 3.135 1.00 0.00 H new ATOM 0 HA LYS A 15 3.706 -5.733 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.670 -7.776 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.159 -7.800 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.451 -7.749 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.928 -7.878 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.733 -10.113 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.182 -9.917 2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.405 -10.373 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.427 -9.481 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.710 -11.842 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.254 -11.313 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.232 -12.176 3.976 1.00 0.00 H new ATOM 210 N LYS A 16 4.135 -4.684 1.010 1.00 0.00 N ATOM 211 CA LYS A 16 4.422 -3.988 -0.233 1.00 0.00 C ATOM 212 C LYS A 16 5.484 -4.765 -1.013 1.00 0.00 C ATOM 213 O LYS A 16 6.529 -5.114 -0.467 1.00 0.00 O ATOM 214 CB LYS A 16 4.803 -2.533 0.044 1.00 0.00 C ATOM 215 CG LYS A 16 5.298 -1.844 -1.230 1.00 0.00 C ATOM 216 CD LYS A 16 6.088 -0.578 -0.896 1.00 0.00 C ATOM 217 CE LYS A 16 5.623 0.601 -1.755 1.00 0.00 C ATOM 218 NZ LYS A 16 6.732 1.558 -1.966 1.00 0.00 N ATOM 0 H LYS A 16 4.905 -4.696 1.679 1.00 0.00 H new ATOM 0 HA LYS A 16 3.532 -3.946 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.941 -1.997 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.580 -2.496 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.926 -2.530 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.449 -1.590 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.964 -0.335 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.151 -0.755 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.261 0.237 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.787 1.105 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.365 2.420 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.159 1.802 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.452 1.126 -2.580 1.00 0.00 H new ATOM 232 N GLN A 17 5.180 -5.012 -2.279 1.00 0.00 N ATOM 233 CA GLN A 17 6.095 -5.741 -3.140 1.00 0.00 C ATOM 234 C GLN A 17 7.347 -4.904 -3.413 1.00 0.00 C ATOM 235 O GLN A 17 7.274 -3.678 -3.484 1.00 0.00 O ATOM 236 CB GLN A 17 5.412 -6.148 -4.447 1.00 0.00 C ATOM 237 CG GLN A 17 6.095 -7.370 -5.066 1.00 0.00 C ATOM 238 CD GLN A 17 5.076 -8.467 -5.379 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.135 -9.571 -4.862 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.141 -8.104 -6.252 1.00 0.00 N ATOM 0 H GLN A 17 4.312 -4.720 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 17 6.396 -6.654 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.362 -6.371 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.440 -5.316 -5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.613 -7.078 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.850 -7.755 -4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.150 -7.164 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.415 -8.766 -6.527 1.00 0.00 H new ATOM 341 N ASN A 23 9.560 -9.213 -3.530 1.00 0.00 N ATOM 342 CA ASN A 23 9.331 -9.761 -2.204 1.00 0.00 C ATOM 343 C ASN A 23 8.326 -8.879 -1.459 1.00 0.00 C ATOM 344 O ASN A 23 8.355 -7.656 -1.587 1.00 0.00 O ATOM 345 CB ASN A 23 10.626 -9.793 -1.390 1.00 0.00 C ATOM 346 CG ASN A 23 11.116 -11.230 -1.197 1.00 0.00 C ATOM 347 OD1 ASN A 23 11.480 -11.649 -0.110 1.00 0.00 O ATOM 348 ND2 ASN A 23 11.107 -11.959 -2.309 1.00 0.00 N ATOM 0 HA ASN A 23 8.953 -10.777 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.393 -9.208 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.461 -9.328 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.417 -12.930 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.790 -11.547 -3.186 1.00 0.00 H new ATOM 355 N TRP A 24 7.462 -9.534 -0.698 1.00 0.00 N ATOM 356 CA TRP A 24 6.451 -8.825 0.067 1.00 0.00 C ATOM 357 C TRP A 24 7.097 -8.333 1.364 1.00 0.00 C ATOM 358 O TRP A 24 7.606 -9.132 2.148 1.00 0.00 O ATOM 359 CB TRP A 24 5.225 -9.708 0.307 1.00 0.00 C ATOM 360 CG TRP A 24 4.498 -10.125 -0.973 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.610 -11.278 -1.647 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.537 -9.341 -1.711 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.794 -11.295 -2.760 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.121 -10.079 -2.800 1.00 0.00 C ATOM 365 CE3 TRP A 24 3.035 -8.051 -1.465 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.184 -9.612 -3.730 1.00 0.00 C ATOM 367 CZ3 TRP A 24 2.100 -7.598 -2.404 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.671 -8.329 -3.506 1.00 0.00 C ATOM 0 H TRP A 24 7.441 -10.549 -0.595 1.00 0.00 H new ATOM 0 HA TRP A 24 6.083 -7.962 -0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.535 -10.604 0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.527 -9.175 0.952 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.258 -12.092 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.702 -12.059 -3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.346 -7.456 -0.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.874 -10.209 -4.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.683 -6.612 -2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.945 -7.909 -4.186 1.00 0.00 H new ATOM 379 N GLN A 25 7.055 -7.022 1.548 1.00 0.00 N ATOM 380 CA GLN A 25 7.630 -6.415 2.737 1.00 0.00 C ATOM 381 C GLN A 25 6.532 -5.781 3.593 1.00 0.00 C ATOM 382 O GLN A 25 5.912 -4.799 3.186 1.00 0.00 O ATOM 383 CB GLN A 25 8.698 -5.385 2.364 1.00 0.00 C ATOM 384 CG GLN A 25 10.047 -5.742 2.992 1.00 0.00 C ATOM 385 CD GLN A 25 10.664 -6.964 2.308 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.065 -7.600 1.457 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.893 -7.255 2.726 1.00 0.00 N ATOM 0 H GLN A 25 6.632 -6.363 0.894 1.00 0.00 H new ATOM 0 HA GLN A 25 8.114 -7.196 3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.799 -5.337 1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.387 -4.396 2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.726 -4.893 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.915 -5.944 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.337 -6.681 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.391 -8.052 2.330 1.00 0.00 H new ATOM 396 N GLN A 26 6.325 -6.367 4.763 1.00 0.00 N ATOM 397 CA GLN A 26 5.313 -5.871 5.680 1.00 0.00 C ATOM 398 C GLN A 26 5.708 -4.492 6.212 1.00 0.00 C ATOM 399 O GLN A 26 6.566 -4.382 7.086 1.00 0.00 O ATOM 400 CB GLN A 26 5.084 -6.856 6.828 1.00 0.00 C ATOM 401 CG GLN A 26 3.589 -7.065 7.081 1.00 0.00 C ATOM 402 CD GLN A 26 3.242 -8.555 7.115 1.00 0.00 C ATOM 403 OE1 GLN A 26 4.100 -9.417 7.219 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.940 -8.810 7.020 1.00 0.00 N ATOM 0 H GLN A 26 6.841 -7.181 5.097 1.00 0.00 H new ATOM 0 HA GLN A 26 4.374 -5.773 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.554 -7.811 6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.561 -6.482 7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.308 -6.601 8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.012 -6.571 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.275 -8.042 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.607 -9.774 7.032 1.00 0.00 H new ATOM 413 N ARG A 27 5.063 -3.474 5.661 1.00 0.00 N ATOM 414 CA ARG A 27 5.337 -2.106 6.069 1.00 0.00 C ATOM 415 C ARG A 27 4.098 -1.489 6.721 1.00 0.00 C ATOM 416 O ARG A 27 2.971 -1.869 6.405 1.00 0.00 O ATOM 417 CB ARG A 27 5.756 -1.248 4.873 1.00 0.00 C ATOM 418 CG ARG A 27 6.813 -1.963 4.029 1.00 0.00 C ATOM 419 CD ARG A 27 8.071 -1.105 3.884 1.00 0.00 C ATOM 420 NE ARG A 27 8.361 -0.869 2.452 1.00 0.00 N ATOM 421 CZ ARG A 27 9.549 -0.463 1.983 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.564 -0.244 2.830 1.00 0.00 N ATOM 423 NH2 ARG A 27 9.720 -0.275 0.668 1.00 0.00 N ATOM 0 H ARG A 27 4.352 -3.569 4.936 1.00 0.00 H new ATOM 0 HA ARG A 27 6.156 -2.132 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.884 -1.025 4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.150 -0.295 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.070 -2.916 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.406 -2.187 3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.933 -0.153 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.917 -1.603 4.358 1.00 0.00 H new ATOM 0 HE ARG A 27 7.610 -1.025 1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.432 -0.386 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.468 0.065 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.946 -0.441 0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.624 0.034 0.310 1.00 0.00 H new ATOM 437 N TYR A 28 4.348 -0.548 7.620 1.00 0.00 N ATOM 438 CA TYR A 28 3.267 0.125 8.319 1.00 0.00 C ATOM 439 C TYR A 28 2.713 1.284 7.487 1.00 0.00 C ATOM 440 O TYR A 28 3.284 2.373 7.476 1.00 0.00 O ATOM 441 CB TYR A 28 3.880 0.683 9.605 1.00 0.00 C ATOM 442 CG TYR A 28 2.870 1.364 10.531 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.543 0.988 10.501 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.287 2.355 11.396 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.592 1.629 11.372 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.336 2.996 12.268 1.00 0.00 C ATOM 447 CZ TYR A 28 1.036 2.601 12.213 1.00 0.00 C ATOM 448 OH TYR A 28 0.138 3.207 13.036 1.00 0.00 O ATOM 0 H TYR A 28 5.284 -0.236 7.880 1.00 0.00 H new ATOM 0 HA TYR A 28 2.446 -0.566 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.364 -0.129 10.147 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.658 1.400 9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.217 0.212 9.824 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.326 2.650 11.419 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.450 1.344 11.358 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.649 3.773 12.950 1.00 0.00 H new ATOM 0 HH TYR A 28 0.596 3.880 13.581 1.00 0.00 H new ATOM 458 N PHE A 29 1.608 1.009 6.811 1.00 0.00 N ATOM 459 CA PHE A 29 0.970 2.015 5.978 1.00 0.00 C ATOM 460 C PHE A 29 -0.013 2.858 6.792 1.00 0.00 C ATOM 461 O PHE A 29 -0.828 2.319 7.540 1.00 0.00 O ATOM 462 CB PHE A 29 0.201 1.269 4.885 1.00 0.00 C ATOM 463 CG PHE A 29 1.045 0.921 3.657 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.804 -0.207 3.651 1.00 0.00 C ATOM 465 CD2 PHE A 29 1.036 1.741 2.572 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.587 -0.530 2.511 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.819 1.418 1.432 1.00 0.00 C ATOM 468 CZ PHE A 29 2.578 0.290 1.426 1.00 0.00 C ATOM 0 H PHE A 29 1.138 0.104 6.823 1.00 0.00 H new ATOM 0 HA PHE A 29 1.722 2.685 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.207 0.350 5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.646 1.879 4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.811 -0.857 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.434 2.637 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.189 -1.426 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.812 2.068 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.174 0.045 0.559 1.00 0.00 H new ATOM 478 N VAL A 30 0.096 4.167 6.620 1.00 0.00 N ATOM 479 CA VAL A 30 -0.774 5.090 7.330 1.00 0.00 C ATOM 480 C VAL A 30 -1.442 6.029 6.324 1.00 0.00 C ATOM 481 O VAL A 30 -0.839 6.397 5.317 1.00 0.00 O ATOM 482 CB VAL A 30 0.019 5.833 8.406 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.671 7.144 8.789 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.237 4.948 9.636 1.00 0.00 C ATOM 0 H VAL A 30 0.773 4.611 6.000 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.567 4.548 7.846 1.00 0.00 H new ATOM 0 HB VAL A 30 0.997 6.078 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.086 7.652 9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.751 7.784 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.668 6.931 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.803 5.500 10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.728 4.658 10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.791 4.055 9.348 1.00 0.00 H new ATOM 494 N LEU A 31 -2.679 6.392 6.632 1.00 0.00 N ATOM 495 CA LEU A 31 -3.436 7.281 5.768 1.00 0.00 C ATOM 496 C LEU A 31 -3.612 8.633 6.464 1.00 0.00 C ATOM 497 O LEU A 31 -4.207 8.709 7.537 1.00 0.00 O ATOM 498 CB LEU A 31 -4.754 6.628 5.350 1.00 0.00 C ATOM 499 CG LEU A 31 -5.153 6.801 3.882 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.780 5.519 3.330 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.070 8.012 3.702 1.00 0.00 C ATOM 0 H LEU A 31 -3.176 6.086 7.469 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.892 7.467 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.693 5.561 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.551 7.034 5.973 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.250 6.993 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.054 5.669 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.062 4.702 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.671 5.272 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.338 8.112 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.974 7.875 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.552 8.913 4.032 1.00 0.00 H new ATOM 513 N ARG A 32 -3.084 9.665 5.823 1.00 0.00 N ATOM 514 CA ARG A 32 -3.175 11.010 6.367 1.00 0.00 C ATOM 515 C ARG A 32 -3.695 11.978 5.302 1.00 0.00 C ATOM 516 O ARG A 32 -3.067 12.154 4.259 1.00 0.00 O ATOM 517 CB ARG A 32 -1.814 11.495 6.868 1.00 0.00 C ATOM 518 CG ARG A 32 -1.850 11.772 8.372 1.00 0.00 C ATOM 519 CD ARG A 32 -0.582 11.256 9.055 1.00 0.00 C ATOM 520 NE ARG A 32 -0.081 12.261 10.019 1.00 0.00 N ATOM 521 CZ ARG A 32 1.183 12.313 10.461 1.00 0.00 C ATOM 522 NH1 ARG A 32 2.082 11.419 10.029 1.00 0.00 N ATOM 523 NH2 ARG A 32 1.548 13.261 11.336 1.00 0.00 N ATOM 0 H ARG A 32 -2.592 9.597 4.932 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.869 10.982 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.054 10.744 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.528 12.401 6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.951 12.843 8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.725 11.294 8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.792 10.319 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.183 11.044 8.308 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.739 12.958 10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.805 10.698 9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.044 11.459 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.864 13.942 11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.510 13.301 11.673 1.00 0.00 H new ATOM 537 N ALA A 33 -4.836 12.581 5.603 1.00 0.00 N ATOM 538 CA ALA A 33 -5.446 13.528 4.685 1.00 0.00 C ATOM 539 C ALA A 33 -5.419 12.949 3.269 1.00 0.00 C ATOM 540 O ALA A 33 -5.607 11.748 3.082 1.00 0.00 O ATOM 541 CB ALA A 33 -4.721 14.872 4.780 1.00 0.00 C ATOM 0 H ALA A 33 -5.354 12.432 6.469 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.489 13.702 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.179 15.582 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.796 15.254 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.671 14.738 4.519 1.00 0.00 H new ATOM 547 N GLN A 34 -5.181 13.830 2.308 1.00 0.00 N ATOM 548 CA GLN A 34 -5.126 13.421 0.915 1.00 0.00 C ATOM 549 C GLN A 34 -3.717 12.945 0.557 1.00 0.00 C ATOM 550 O GLN A 34 -3.091 13.480 -0.357 1.00 0.00 O ATOM 551 CB GLN A 34 -5.572 14.557 -0.008 1.00 0.00 C ATOM 552 CG GLN A 34 -7.001 14.998 0.316 1.00 0.00 C ATOM 553 CD GLN A 34 -7.391 16.234 -0.496 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.098 16.160 -1.488 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.893 17.372 -0.022 1.00 0.00 N ATOM 0 H GLN A 34 -5.024 14.825 2.467 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.816 12.589 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.894 15.404 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.515 14.230 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.694 14.184 0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.085 15.216 1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.308 17.364 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.096 18.253 -0.494 1.00 0.00 H new ATOM 564 N GLN A 35 -3.260 11.944 1.295 1.00 0.00 N ATOM 565 CA GLN A 35 -1.936 11.390 1.067 1.00 0.00 C ATOM 566 C GLN A 35 -1.803 10.031 1.757 1.00 0.00 C ATOM 567 O GLN A 35 -2.375 9.815 2.825 1.00 0.00 O ATOM 568 CB GLN A 35 -0.848 12.355 1.542 1.00 0.00 C ATOM 569 CG GLN A 35 -0.286 13.167 0.373 1.00 0.00 C ATOM 570 CD GLN A 35 1.103 13.715 0.704 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.339 14.287 1.756 1.00 0.00 O ATOM 572 NE2 GLN A 35 2.007 13.511 -0.250 1.00 0.00 N ATOM 0 H GLN A 35 -3.783 11.502 2.051 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.804 11.246 -0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.258 13.029 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.044 11.795 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.231 12.540 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.960 13.991 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.743 13.025 -1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.964 13.841 -0.125 1.00 0.00 H new ATOM 581 N LEU A 36 -1.046 9.151 1.120 1.00 0.00 N ATOM 582 CA LEU A 36 -0.830 7.819 1.659 1.00 0.00 C ATOM 583 C LEU A 36 0.654 7.637 1.980 1.00 0.00 C ATOM 584 O LEU A 36 1.501 7.733 1.093 1.00 0.00 O ATOM 585 CB LEU A 36 -1.388 6.759 0.708 1.00 0.00 C ATOM 586 CG LEU A 36 -1.263 5.307 1.173 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.205 4.910 1.341 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.071 5.069 2.451 1.00 0.00 C ATOM 0 H LEU A 36 -0.574 9.334 0.235 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.376 7.694 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.442 6.974 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.880 6.857 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.685 4.663 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.266 3.873 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.722 5.017 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.674 5.556 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.965 4.029 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.702 5.722 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.122 5.286 2.262 1.00 0.00 H new ATOM 600 N TYR A 37 0.925 7.378 3.251 1.00 0.00 N ATOM 601 CA TYR A 37 2.293 7.181 3.700 1.00 0.00 C ATOM 602 C TYR A 37 2.510 5.747 4.185 1.00 0.00 C ATOM 603 O TYR A 37 1.550 5.020 4.437 1.00 0.00 O ATOM 604 CB TYR A 37 2.493 8.140 4.875 1.00 0.00 C ATOM 605 CG TYR A 37 1.925 9.541 4.639 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.568 9.763 4.748 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.771 10.583 4.317 1.00 0.00 C ATOM 608 CE1 TYR A 37 0.033 11.082 4.525 1.00 0.00 C ATOM 609 CE2 TYR A 37 2.237 11.902 4.095 1.00 0.00 C ATOM 610 CZ TYR A 37 0.894 12.086 4.210 1.00 0.00 C ATOM 611 OH TYR A 37 0.390 13.331 4.000 1.00 0.00 O ATOM 0 H TYR A 37 0.220 7.300 3.984 1.00 0.00 H new ATOM 0 HA TYR A 37 2.994 7.365 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.024 7.714 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.559 8.222 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.094 8.948 5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.833 10.409 4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.028 11.269 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.888 12.726 3.843 1.00 0.00 H new ATOM 0 HH TYR A 37 0.914 13.783 3.306 1.00 0.00 H new ATOM 621 N TYR A 38 3.779 5.381 4.301 1.00 0.00 N ATOM 622 CA TYR A 38 4.134 4.046 4.751 1.00 0.00 C ATOM 623 C TYR A 38 5.562 4.015 5.301 1.00 0.00 C ATOM 624 O TYR A 38 6.500 4.435 4.626 1.00 0.00 O ATOM 625 CB TYR A 38 4.058 3.149 3.514 1.00 0.00 C ATOM 626 CG TYR A 38 5.377 3.032 2.748 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.412 2.280 3.266 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.533 3.678 1.538 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.654 2.170 2.545 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.775 3.568 0.817 1.00 0.00 C ATOM 631 CZ TYR A 38 7.774 2.819 1.357 1.00 0.00 C ATOM 632 OH TYR A 38 8.946 2.715 0.676 1.00 0.00 O ATOM 0 H TYR A 38 4.573 5.986 4.091 1.00 0.00 H new ATOM 0 HA TYR A 38 3.464 3.719 5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.738 2.153 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.293 3.538 2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.291 1.774 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.723 4.266 1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.472 1.585 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.910 4.069 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 38 8.888 3.230 -0.156 1.00 0.00 H new ATOM 642 N TYR A 39 5.681 3.514 6.522 1.00 0.00 N ATOM 643 CA TYR A 39 6.978 3.422 7.170 1.00 0.00 C ATOM 644 C TYR A 39 7.361 1.964 7.428 1.00 0.00 C ATOM 645 O TYR A 39 6.572 1.200 7.983 1.00 0.00 O ATOM 646 CB TYR A 39 6.830 4.143 8.511 1.00 0.00 C ATOM 647 CG TYR A 39 6.128 5.499 8.415 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.760 5.557 8.242 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.863 6.664 8.501 1.00 0.00 C ATOM 650 CE1 TYR A 39 4.099 6.833 8.152 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.202 7.940 8.411 1.00 0.00 C ATOM 652 CZ TYR A 39 4.852 7.962 8.241 1.00 0.00 C ATOM 653 OH TYR A 39 4.228 9.167 8.155 1.00 0.00 O ATOM 0 H TYR A 39 4.900 3.168 7.079 1.00 0.00 H new ATOM 0 HA TYR A 39 7.753 3.861 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.272 3.504 9.195 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.819 4.288 8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.185 4.645 8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.934 6.619 8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.029 6.892 8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.765 8.859 8.477 1.00 0.00 H new ATOM 0 HH TYR A 39 4.890 9.885 8.236 1.00 0.00 H new ATOM 789 N GLN A 48 8.561 7.036 4.292 1.00 0.00 N ATOM 790 CA GLN A 48 9.460 6.555 3.257 1.00 0.00 C ATOM 791 C GLN A 48 8.928 6.935 1.874 1.00 0.00 C ATOM 792 O GLN A 48 9.695 7.326 0.995 1.00 0.00 O ATOM 793 CB GLN A 48 9.667 5.043 3.369 1.00 0.00 C ATOM 794 CG GLN A 48 10.511 4.695 4.597 1.00 0.00 C ATOM 795 CD GLN A 48 11.979 5.063 4.376 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.353 6.223 4.317 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.788 4.014 4.256 1.00 0.00 N ATOM 0 HA GLN A 48 10.430 7.032 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.700 4.544 3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.157 4.672 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.127 5.225 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.428 3.629 4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.410 3.069 4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.787 4.155 4.105 1.00 0.00 H new ATOM 806 N GLY A 49 7.618 6.806 1.723 1.00 0.00 N ATOM 807 CA GLY A 49 6.974 7.130 0.462 1.00 0.00 C ATOM 808 C GLY A 49 5.676 7.906 0.692 1.00 0.00 C ATOM 809 O GLY A 49 5.206 8.015 1.824 1.00 0.00 O ATOM 0 H GLY A 49 6.985 6.481 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.651 7.721 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.761 6.213 -0.088 1.00 0.00 H new ATOM 813 N CYS A 50 5.132 8.425 -0.399 1.00 0.00 N ATOM 814 CA CYS A 50 3.897 9.187 -0.330 1.00 0.00 C ATOM 815 C CYS A 50 3.135 8.988 -1.642 1.00 0.00 C ATOM 816 O CYS A 50 3.728 9.022 -2.719 1.00 0.00 O ATOM 817 CB CYS A 50 4.161 10.667 -0.042 1.00 0.00 C ATOM 818 SG CYS A 50 5.316 11.350 -1.287 1.00 0.00 S ATOM 0 H CYS A 50 5.524 8.333 -1.336 1.00 0.00 H new ATOM 0 HA CYS A 50 3.290 8.825 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.223 11.223 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.580 10.782 0.957 1.00 0.00 H new ATOM 0 HG CYS A 50 5.178 10.705 -2.407 1.00 0.00 H new ATOM 824 N MET A 51 1.833 8.784 -1.508 1.00 0.00 N ATOM 825 CA MET A 51 0.984 8.579 -2.669 1.00 0.00 C ATOM 826 C MET A 51 -0.278 9.439 -2.584 1.00 0.00 C ATOM 827 O MET A 51 -0.958 9.450 -1.558 1.00 0.00 O ATOM 828 CB MET A 51 0.592 7.103 -2.761 1.00 0.00 C ATOM 829 CG MET A 51 0.601 6.623 -4.214 1.00 0.00 C ATOM 830 SD MET A 51 2.194 5.926 -4.617 1.00 0.00 S ATOM 831 CE MET A 51 1.754 4.955 -6.048 1.00 0.00 C ATOM 0 H MET A 51 1.345 8.756 -0.613 1.00 0.00 H new ATOM 0 HA MET A 51 1.541 8.872 -3.559 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.284 6.502 -2.171 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.400 6.959 -2.333 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.180 5.877 -4.364 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.380 7.455 -4.882 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.636 4.434 -6.420 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.991 4.226 -5.773 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.365 5.611 -6.827 1.00 0.00 H new ATOM 841 N TYR A 52 -0.555 10.137 -3.675 1.00 0.00 N ATOM 842 CA TYR A 52 -1.724 10.998 -3.736 1.00 0.00 C ATOM 843 C TYR A 52 -2.977 10.196 -4.095 1.00 0.00 C ATOM 844 O TYR A 52 -3.145 9.779 -5.240 1.00 0.00 O ATOM 845 CB TYR A 52 -1.445 12.010 -4.849 1.00 0.00 C ATOM 846 CG TYR A 52 -1.701 13.464 -4.447 1.00 0.00 C ATOM 847 CD1 TYR A 52 -0.751 14.158 -3.726 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.883 14.080 -4.805 1.00 0.00 C ATOM 849 CE1 TYR A 52 -0.993 15.526 -3.347 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.124 15.449 -4.427 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.167 16.104 -3.716 1.00 0.00 C ATOM 852 OH TYR A 52 -2.396 17.396 -3.359 1.00 0.00 O ATOM 0 H TYR A 52 0.010 10.124 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.900 11.475 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.407 11.909 -5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.067 11.767 -5.711 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.174 13.675 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.627 13.536 -5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.258 16.081 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.044 15.944 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.274 17.677 -3.692 1.00 0.00 H new ATOM 862 N LEU A 53 -3.824 10.004 -3.094 1.00 0.00 N ATOM 863 CA LEU A 53 -5.056 9.259 -3.290 1.00 0.00 C ATOM 864 C LEU A 53 -5.851 9.889 -4.436 1.00 0.00 C ATOM 865 O LEU A 53 -6.372 9.182 -5.297 1.00 0.00 O ATOM 866 CB LEU A 53 -5.839 9.164 -1.979 1.00 0.00 C ATOM 867 CG LEU A 53 -5.034 8.742 -0.747 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.954 8.498 0.451 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.159 7.525 -1.055 1.00 0.00 C ATOM 0 H LEU A 53 -3.681 10.351 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.837 8.231 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.292 10.135 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.655 8.454 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.365 9.560 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.357 8.199 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.497 9.414 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.664 7.707 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.598 7.246 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.790 6.691 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.465 7.770 -1.859 1.00 0.00 H new ATOM 881 N PRO A 54 -5.922 11.247 -4.408 1.00 0.00 N ATOM 882 CA PRO A 54 -6.645 11.980 -5.433 1.00 0.00 C ATOM 883 C PRO A 54 -5.854 12.014 -6.743 1.00 0.00 C ATOM 884 O PRO A 54 -5.005 12.882 -6.938 1.00 0.00 O ATOM 885 CB PRO A 54 -6.873 13.362 -4.842 1.00 0.00 C ATOM 886 CG PRO A 54 -5.873 13.499 -3.706 1.00 0.00 C ATOM 887 CD PRO A 54 -5.318 12.117 -3.403 1.00 0.00 C ATOM 0 HA PRO A 54 -7.594 11.512 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.720 14.138 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.895 13.467 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.069 14.180 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.354 13.919 -2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.230 12.104 -3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.579 11.798 -2.394 1.00 0.00 H new ATOM 895 N GLY A 55 -6.162 11.057 -7.607 1.00 0.00 N ATOM 896 CA GLY A 55 -5.491 10.966 -8.893 1.00 0.00 C ATOM 897 C GLY A 55 -4.734 9.643 -9.024 1.00 0.00 C ATOM 898 O GLY A 55 -3.680 9.587 -9.656 1.00 0.00 O ATOM 0 H GLY A 55 -6.867 10.338 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.223 11.051 -9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.797 11.799 -9.005 1.00 0.00 H new ATOM 902 N CYS A 56 -5.302 8.611 -8.417 1.00 0.00 N ATOM 903 CA CYS A 56 -4.694 7.292 -8.458 1.00 0.00 C ATOM 904 C CYS A 56 -5.754 6.289 -8.917 1.00 0.00 C ATOM 905 O CYS A 56 -6.919 6.645 -9.087 1.00 0.00 O ATOM 906 CB CYS A 56 -4.089 6.906 -7.107 1.00 0.00 C ATOM 907 SG CYS A 56 -2.446 7.687 -6.910 1.00 0.00 S ATOM 0 H CYS A 56 -6.176 8.662 -7.894 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.865 7.292 -9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.750 7.222 -6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.996 5.822 -7.037 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.520 8.635 -6.023 1.00 0.00 H new ATOM 913 N THR A 57 -5.312 5.054 -9.104 1.00 0.00 N ATOM 914 CA THR A 57 -6.208 3.996 -9.539 1.00 0.00 C ATOM 915 C THR A 57 -5.991 2.734 -8.702 1.00 0.00 C ATOM 916 O THR A 57 -4.945 2.095 -8.796 1.00 0.00 O ATOM 917 CB THR A 57 -5.988 3.776 -11.037 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.704 4.843 -11.654 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.682 2.514 -11.552 1.00 0.00 C ATOM 0 H THR A 57 -4.345 4.762 -8.962 1.00 0.00 H new ATOM 0 HA THR A 57 -7.251 4.274 -9.386 1.00 0.00 H new ATOM 0 HB THR A 57 -4.919 3.711 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.613 4.778 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.494 2.405 -12.620 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.292 1.643 -11.025 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.755 2.593 -11.379 1.00 0.00 H new ATOM 927 N ILE A 58 -6.997 2.414 -7.901 1.00 0.00 N ATOM 928 CA ILE A 58 -6.929 1.240 -7.047 1.00 0.00 C ATOM 929 C ILE A 58 -7.303 0.000 -7.862 1.00 0.00 C ATOM 930 O ILE A 58 -8.478 -0.231 -8.144 1.00 0.00 O ATOM 931 CB ILE A 58 -7.789 1.436 -5.797 1.00 0.00 C ATOM 932 CG1 ILE A 58 -7.057 2.285 -4.756 1.00 0.00 C ATOM 933 CG2 ILE A 58 -8.241 0.091 -5.226 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.686 3.674 -4.640 1.00 0.00 C ATOM 0 H ILE A 58 -7.863 2.947 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.912 1.090 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.688 1.982 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.088 1.786 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.007 2.380 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.851 0.259 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.828 -0.443 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.367 -0.503 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.146 4.257 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.631 4.180 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.729 3.577 -4.340 1.00 0.00 H new ATOM 946 N LYS A 59 -6.281 -0.765 -8.218 1.00 0.00 N ATOM 947 CA LYS A 59 -6.488 -1.976 -8.994 1.00 0.00 C ATOM 948 C LYS A 59 -6.369 -3.193 -8.075 1.00 0.00 C ATOM 949 O LYS A 59 -5.568 -3.194 -7.141 1.00 0.00 O ATOM 950 CB LYS A 59 -5.535 -2.013 -10.191 1.00 0.00 C ATOM 951 CG LYS A 59 -6.042 -1.118 -11.324 1.00 0.00 C ATOM 952 CD LYS A 59 -5.709 -1.721 -12.690 1.00 0.00 C ATOM 953 CE LYS A 59 -4.214 -2.022 -12.807 1.00 0.00 C ATOM 954 NZ LYS A 59 -3.997 -3.306 -13.510 1.00 0.00 N ATOM 0 H LYS A 59 -5.308 -0.570 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.493 -1.992 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.543 -1.686 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.435 -3.038 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.120 -0.987 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.592 -0.129 -11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.281 -2.638 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.007 -1.030 -13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.716 -1.217 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.767 -2.064 -11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.977 -3.495 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.455 -4.074 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.406 -3.253 -14.465 1.00 0.00 H new ATOM 968 N GLU A 60 -7.177 -4.200 -8.372 1.00 0.00 N ATOM 969 CA GLU A 60 -7.172 -5.420 -7.583 1.00 0.00 C ATOM 970 C GLU A 60 -6.410 -6.524 -8.319 1.00 0.00 C ATOM 971 O GLU A 60 -6.830 -6.968 -9.387 1.00 0.00 O ATOM 972 CB GLU A 60 -8.599 -5.865 -7.253 1.00 0.00 C ATOM 973 CG GLU A 60 -9.249 -4.917 -6.244 1.00 0.00 C ATOM 974 CD GLU A 60 -10.690 -5.337 -5.947 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.877 -6.526 -5.611 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.572 -4.458 -6.063 1.00 0.00 O ATOM 0 H GLU A 60 -7.839 -4.196 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.662 -5.219 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.195 -5.895 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.584 -6.877 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.670 -4.911 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.236 -3.900 -6.635 1.00 0.00 H new ATOM 983 N ILE A 61 -5.303 -6.936 -7.719 1.00 0.00 N ATOM 984 CA ILE A 61 -4.478 -7.980 -8.304 1.00 0.00 C ATOM 985 C ILE A 61 -5.043 -9.348 -7.915 1.00 0.00 C ATOM 986 O ILE A 61 -4.920 -9.770 -6.767 1.00 0.00 O ATOM 987 CB ILE A 61 -3.012 -7.786 -7.913 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.556 -6.352 -8.188 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.119 -8.815 -8.608 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.413 -6.100 -9.690 1.00 0.00 C ATOM 0 H ILE A 61 -4.958 -6.566 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.504 -7.922 -9.392 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.920 -7.952 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.275 -5.651 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.603 -6.169 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.082 -8.655 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.428 -9.819 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.210 -8.705 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.088 -5.073 -9.857 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.675 -6.787 -10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.374 -6.260 -10.179 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.196 -11.710 -1.786 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.523 -10.301 -1.656 1.00 0.00 C ATOM 1125 C PHE A 71 -5.294 -9.426 -1.910 1.00 0.00 C ATOM 1126 O PHE A 71 -4.510 -9.171 -0.997 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.000 -10.083 -0.218 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.048 -11.095 0.249 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.205 -11.248 -0.450 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.824 -11.841 1.364 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.178 -12.187 -0.016 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.797 -12.780 1.798 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.954 -12.933 1.098 1.00 0.00 C ATOM 0 HA PHE A 71 -7.287 -10.028 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.140 -10.131 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.415 -9.079 -0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.384 -10.655 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.906 -11.719 1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.096 -12.308 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.619 -13.372 2.683 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.694 -13.647 1.428 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.163 -8.992 -3.155 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.042 -8.152 -3.541 1.00 0.00 C ATOM 1145 C VAL A 72 -4.557 -6.968 -4.362 1.00 0.00 C ATOM 1146 O VAL A 72 -5.503 -7.108 -5.135 1.00 0.00 O ATOM 1147 CB VAL A 72 -2.996 -8.985 -4.285 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.714 -8.181 -4.510 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.702 -10.288 -3.539 1.00 0.00 C ATOM 0 H VAL A 72 -5.815 -9.206 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.547 -7.746 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.405 -9.243 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.987 -8.796 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.940 -7.294 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.300 -7.879 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.956 -10.861 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.323 -10.059 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.618 -10.873 -3.453 1.00 0.00 H new ATOM 1159 N PHE A 73 -3.911 -5.828 -4.166 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.291 -4.620 -4.878 1.00 0.00 C ATOM 1161 C PHE A 73 -3.111 -3.653 -4.986 1.00 0.00 C ATOM 1162 O PHE A 73 -2.367 -3.466 -4.025 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.407 -3.956 -4.068 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.918 -3.229 -2.814 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.642 -3.934 -1.684 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.759 -1.879 -2.829 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.188 -3.259 -0.520 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.304 -1.204 -1.665 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.029 -1.909 -0.535 1.00 0.00 C ATOM 0 H PHE A 73 -3.126 -5.715 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.615 -4.870 -5.888 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.931 -3.245 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.131 -4.716 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.768 -5.007 -1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.979 -1.320 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.969 -3.818 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.177 -0.132 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.684 -1.396 0.351 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.977 -3.063 -6.165 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.900 -2.119 -6.412 1.00 0.00 C ATOM 1181 C GLU A 74 -2.461 -0.706 -6.583 1.00 0.00 C ATOM 1182 O GLU A 74 -3.550 -0.528 -7.129 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.076 -2.534 -7.632 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.785 -2.143 -8.931 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.791 -3.216 -9.351 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.599 -3.608 -8.481 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.731 -3.619 -10.532 1.00 0.00 O ATOM 0 H GLU A 74 -3.597 -3.220 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.235 -2.122 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.095 -2.060 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.910 -3.611 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.298 -1.191 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.049 -2.000 -9.722 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.694 0.263 -6.108 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.101 1.655 -6.202 1.00 0.00 C ATOM 1196 C ILE A 75 -1.313 2.337 -7.323 1.00 0.00 C ATOM 1197 O ILE A 75 -0.110 2.559 -7.195 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.963 2.347 -4.844 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.591 1.503 -3.733 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.544 3.762 -4.888 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.723 1.522 -2.473 1.00 0.00 C ATOM 0 H ILE A 75 -0.792 0.112 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.157 1.727 -6.464 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.902 2.442 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.585 1.884 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.716 0.476 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.433 4.231 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.012 4.351 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.601 3.713 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.192 0.915 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.737 1.118 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.620 2.547 -2.117 1.00 0.00 H new ATOM 1213 N ILE A 76 -2.024 2.651 -8.396 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.407 3.304 -9.538 1.00 0.00 C ATOM 1215 C ILE A 76 -1.423 4.819 -9.324 1.00 0.00 C ATOM 1216 O ILE A 76 -2.460 5.392 -8.995 1.00 0.00 O ATOM 1217 CB ILE A 76 -2.081 2.859 -10.837 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.884 1.361 -11.073 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.592 3.695 -12.022 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -3.225 0.624 -11.074 1.00 0.00 C ATOM 0 H ILE A 76 -3.022 2.465 -8.499 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.362 3.006 -9.629 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.153 3.031 -10.741 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.378 1.203 -12.025 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.239 0.949 -10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.086 3.359 -12.933 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.827 4.745 -11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.514 3.578 -12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.056 -0.439 -11.244 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.718 0.764 -10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.858 1.022 -11.867 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.230 5.440 -9.524 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.096 6.877 -9.357 1.00 0.00 C ATOM 1234 C PRO A 77 -0.723 7.627 -10.534 1.00 0.00 C ATOM 1235 O PRO A 77 -0.937 7.049 -11.599 1.00 0.00 O ATOM 1236 CB PRO A 77 1.398 7.121 -9.225 1.00 0.00 C ATOM 1237 CG PRO A 77 2.074 5.880 -9.786 1.00 0.00 C ATOM 1238 CD PRO A 77 1.020 4.793 -9.914 1.00 0.00 C ATOM 0 HA PRO A 77 -0.625 7.249 -8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.698 8.012 -9.776 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.677 7.281 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.521 6.095 -10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.880 5.554 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.967 4.411 -10.934 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.245 3.945 -9.267 1.00 0.00 H new ATOM 1411 N SER A 89 3.647 1.173 -9.926 1.00 0.00 N ATOM 1412 CA SER A 89 2.482 1.173 -9.057 1.00 0.00 C ATOM 1413 C SER A 89 2.846 0.581 -7.695 1.00 0.00 C ATOM 1414 O SER A 89 3.846 -0.124 -7.567 1.00 0.00 O ATOM 1415 CB SER A 89 1.327 0.390 -9.685 1.00 0.00 C ATOM 1416 OG SER A 89 1.531 -1.018 -9.605 1.00 0.00 O ATOM 0 HA SER A 89 2.155 2.204 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.396 0.651 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.217 0.682 -10.729 1.00 0.00 H new ATOM 0 HG SER A 89 2.489 -1.214 -9.671 1.00 0.00 H new ATOM 1422 N TYR A 90 2.015 0.889 -6.710 1.00 0.00 N ATOM 1423 CA TYR A 90 2.237 0.396 -5.361 1.00 0.00 C ATOM 1424 C TYR A 90 1.478 -0.911 -5.123 1.00 0.00 C ATOM 1425 O TYR A 90 0.319 -0.894 -4.713 1.00 0.00 O ATOM 1426 CB TYR A 90 1.684 1.471 -4.423 1.00 0.00 C ATOM 1427 CG TYR A 90 2.762 2.313 -3.738 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.937 2.603 -4.401 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.560 2.783 -2.456 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.951 3.396 -3.756 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.574 3.575 -1.811 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.720 3.843 -2.493 1.00 0.00 C ATOM 1433 OH TYR A 90 5.678 4.591 -1.883 1.00 0.00 O ATOM 0 H TYR A 90 1.187 1.474 -6.819 1.00 0.00 H new ATOM 0 HA TYR A 90 3.296 0.199 -5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.028 2.131 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.071 0.992 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.096 2.235 -5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.641 2.556 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.875 3.631 -4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.428 3.948 -0.808 1.00 0.00 H new ATOM 0 HH TYR A 90 5.628 4.459 -0.913 1.00 0.00 H new ATOM 1443 N VAL A 91 2.164 -2.013 -5.391 1.00 0.00 N ATOM 1444 CA VAL A 91 1.569 -3.326 -5.212 1.00 0.00 C ATOM 1445 C VAL A 91 1.521 -3.660 -3.719 1.00 0.00 C ATOM 1446 O VAL A 91 2.521 -4.081 -3.141 1.00 0.00 O ATOM 1447 CB VAL A 91 2.337 -4.365 -6.032 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.727 -5.758 -5.861 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.390 -3.967 -7.508 1.00 0.00 C ATOM 0 H VAL A 91 3.126 -2.023 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 91 0.543 -3.334 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 91 3.360 -4.399 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.291 -6.478 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.764 -6.045 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.690 -5.745 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.941 -4.722 -8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.376 -3.891 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.890 -3.004 -7.607 1.00 0.00 H new ATOM 1459 N LEU A 92 0.347 -3.459 -3.138 1.00 0.00 N ATOM 1460 CA LEU A 92 0.155 -3.733 -1.724 1.00 0.00 C ATOM 1461 C LEU A 92 -0.706 -4.987 -1.564 1.00 0.00 C ATOM 1462 O LEU A 92 -1.522 -5.298 -2.430 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.412 -2.503 -1.012 1.00 0.00 C ATOM 1464 CG LEU A 92 0.287 -1.174 -1.309 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.171 -0.085 -0.337 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.808 -1.342 -1.306 1.00 0.00 C ATOM 0 H LEU A 92 -0.481 -3.110 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 92 1.111 -3.939 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.464 -2.405 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.372 -2.679 0.063 1.00 0.00 H new ATOM 0 HG LEU A 92 0.000 -0.853 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.341 0.849 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.248 0.058 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.067 -0.385 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.280 -0.383 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.133 -1.697 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.096 -2.066 -2.068 1.00 0.00 H new ATOM 1478 N MET A 93 -0.493 -5.674 -0.451 1.00 0.00 N ATOM 1479 CA MET A 93 -1.240 -6.888 -0.167 1.00 0.00 C ATOM 1480 C MET A 93 -1.616 -6.966 1.314 1.00 0.00 C ATOM 1481 O MET A 93 -0.785 -6.707 2.184 1.00 0.00 O ATOM 1482 CB MET A 93 -0.396 -8.107 -0.545 1.00 0.00 C ATOM 1483 CG MET A 93 -1.067 -9.402 -0.085 1.00 0.00 C ATOM 1484 SD MET A 93 0.003 -10.276 1.045 1.00 0.00 S ATOM 1485 CE MET A 93 1.439 -10.492 0.008 1.00 0.00 C ATOM 0 H MET A 93 0.186 -5.413 0.264 1.00 0.00 H new ATOM 0 HA MET A 93 -2.158 -6.874 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.251 -8.132 -1.625 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.592 -8.024 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.016 -9.177 0.401 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.291 -10.031 -0.947 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.730 -11.542 0.004 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.205 -10.176 -1.009 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.261 -9.889 0.395 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.868 -7.324 1.556 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.364 -7.440 2.917 1.00 0.00 C ATOM 1497 C ALA A 94 -3.485 -8.919 3.287 1.00 0.00 C ATOM 1498 O ALA A 94 -3.444 -9.786 2.415 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.696 -6.697 3.040 1.00 0.00 C ATOM 0 H ALA A 94 -3.554 -7.538 0.832 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.668 -6.981 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.068 -6.784 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.550 -5.645 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.420 -7.132 2.351 1.00 0.00 H new ATOM 1505 N SER A 95 -3.632 -9.163 4.581 1.00 0.00 N ATOM 1506 CA SER A 95 -3.759 -10.522 5.077 1.00 0.00 C ATOM 1507 C SER A 95 -5.198 -11.011 4.902 1.00 0.00 C ATOM 1508 O SER A 95 -5.427 -12.109 4.396 1.00 0.00 O ATOM 1509 CB SER A 95 -3.343 -10.614 6.547 1.00 0.00 C ATOM 1510 OG SER A 95 -3.801 -11.817 7.157 1.00 0.00 O ATOM 0 H SER A 95 -3.666 -8.441 5.301 1.00 0.00 H new ATOM 0 HA SER A 95 -3.092 -11.160 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.257 -10.561 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.741 -9.757 7.091 1.00 0.00 H new ATOM 0 HG SER A 95 -3.514 -11.839 8.094 1.00 0.00 H new ATOM 1516 N SER A 96 -6.130 -10.172 5.329 1.00 0.00 N ATOM 1517 CA SER A 96 -7.541 -10.505 5.225 1.00 0.00 C ATOM 1518 C SER A 96 -8.232 -9.555 4.245 1.00 0.00 C ATOM 1519 O SER A 96 -7.677 -8.518 3.885 1.00 0.00 O ATOM 1520 CB SER A 96 -8.223 -10.444 6.593 1.00 0.00 C ATOM 1521 OG SER A 96 -7.570 -11.272 7.553 1.00 0.00 O ATOM 0 H SER A 96 -5.936 -9.262 5.748 1.00 0.00 H new ATOM 0 HA SER A 96 -7.625 -11.526 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.231 -9.414 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.263 -10.755 6.494 1.00 0.00 H new ATOM 0 HG SER A 96 -8.034 -11.204 8.413 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.432 -9.944 3.841 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.205 -9.139 2.909 1.00 0.00 C ATOM 1529 C GLN A 97 -10.770 -7.905 3.615 1.00 0.00 C ATOM 1530 O GLN A 97 -10.632 -6.787 3.122 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.323 -9.965 2.269 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.102 -9.134 1.248 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.017 -10.022 0.402 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.387 -11.119 0.785 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.359 -9.487 -0.767 1.00 0.00 N ATOM 0 H GLN A 97 -9.888 -10.805 4.141 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.542 -8.805 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.898 -10.842 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.001 -10.327 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.697 -8.381 1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.406 -8.601 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.013 -8.563 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.967 -10.001 -1.405 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.393 -8.150 4.759 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.980 -7.072 5.537 1.00 0.00 C ATOM 1546 C ALA A 98 -10.964 -5.936 5.672 1.00 0.00 C ATOM 1547 O ALA A 98 -11.343 -4.777 5.835 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.434 -7.612 6.895 1.00 0.00 C ATOM 0 H ALA A 98 -11.504 -9.079 5.165 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.860 -6.670 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.874 -6.804 7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.175 -8.397 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.576 -8.020 7.429 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.695 -6.307 5.598 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.622 -5.333 5.710 1.00 0.00 C ATOM 1556 C GLU A 99 -8.431 -4.600 4.380 1.00 0.00 C ATOM 1557 O GLU A 99 -8.377 -3.371 4.347 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.321 -5.999 6.161 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.321 -4.960 6.671 1.00 0.00 C ATOM 1560 CD GLU A 99 -6.650 -4.542 8.106 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -7.491 -3.629 8.252 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -6.053 -5.144 9.024 1.00 0.00 O ATOM 0 H GLU A 99 -9.385 -7.269 5.462 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.899 -4.602 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.533 -6.722 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.884 -6.552 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.312 -5.370 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.336 -4.085 6.021 1.00 0.00 H new ATOM 1569 N MET A 100 -8.334 -5.384 3.317 1.00 0.00 N ATOM 1570 CA MET A 100 -8.149 -4.825 1.989 1.00 0.00 C ATOM 1571 C MET A 100 -9.365 -3.996 1.570 1.00 0.00 C ATOM 1572 O MET A 100 -9.225 -2.993 0.871 1.00 0.00 O ATOM 1573 CB MET A 100 -7.933 -5.958 0.983 1.00 0.00 C ATOM 1574 CG MET A 100 -7.627 -5.404 -0.410 1.00 0.00 C ATOM 1575 SD MET A 100 -7.989 -6.636 -1.650 1.00 0.00 S ATOM 1576 CE MET A 100 -9.763 -6.734 -1.481 1.00 0.00 C ATOM 0 H MET A 100 -8.380 -6.402 3.348 1.00 0.00 H new ATOM 0 HA MET A 100 -7.276 -4.173 2.008 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.111 -6.592 1.315 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.823 -6.586 0.941 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.220 -4.508 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.579 -5.111 -0.472 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.229 -6.608 -2.458 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.036 -7.706 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.109 -5.948 -0.810 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.529 -4.445 2.014 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.768 -3.757 1.694 1.00 0.00 C ATOM 1588 C GLU A 101 -11.794 -2.376 2.353 1.00 0.00 C ATOM 1589 O GLU A 101 -12.178 -1.391 1.724 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.982 -4.588 2.114 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.676 -5.200 0.896 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.993 -4.129 -0.150 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.379 -3.019 0.274 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.843 -4.446 -1.350 1.00 0.00 O ATOM 0 H GLU A 101 -10.641 -5.277 2.593 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.817 -3.624 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.667 -5.380 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.686 -3.960 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.037 -5.966 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.597 -5.693 1.207 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.381 -2.348 3.611 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.352 -1.105 4.362 1.00 0.00 C ATOM 1603 C GLU A 102 -10.389 -0.112 3.708 1.00 0.00 C ATOM 1604 O GLU A 102 -10.781 1.002 3.363 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.972 -1.356 5.823 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.176 -0.096 6.667 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.632 0.030 7.120 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.511 -0.359 6.322 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -12.832 0.514 8.256 1.00 0.00 O ATOM 0 H GLU A 102 -11.063 -3.167 4.130 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.352 -0.673 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.576 -2.169 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.931 -1.673 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.522 -0.128 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.894 0.783 6.088 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.148 -0.551 3.556 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.127 0.285 2.949 1.00 0.00 C ATOM 1618 C TRP A 103 -8.692 0.850 1.645 1.00 0.00 C ATOM 1619 O TRP A 103 -8.875 2.059 1.515 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.827 -0.496 2.749 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.891 -0.468 3.959 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.547 -1.486 4.760 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.189 0.682 4.477 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.679 -1.079 5.752 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.454 0.282 5.574 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.175 2.016 4.033 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.651 1.154 6.319 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.368 2.875 4.788 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.622 2.488 5.895 1.00 0.00 C ATOM 0 H TRP A 103 -8.827 -1.476 3.843 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.869 1.116 3.605 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.070 -1.532 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.300 -0.089 1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.905 -2.498 4.643 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.276 -1.668 6.481 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.742 2.351 3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.085 0.816 7.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.322 3.912 4.489 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.023 3.213 6.426 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.954 -0.053 0.711 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.495 0.340 -0.579 1.00 0.00 C ATOM 1642 C VAL A 104 -10.599 1.379 -0.370 1.00 0.00 C ATOM 1643 O VAL A 104 -10.533 2.479 -0.917 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.974 -0.895 -1.344 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.785 -0.495 -2.578 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.796 -1.792 -1.730 1.00 0.00 C ATOM 0 H VAL A 104 -8.802 -1.055 0.822 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.722 0.806 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.627 -1.465 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.113 -1.392 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.655 0.084 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.165 0.108 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.164 -2.663 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.106 -1.234 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.277 -2.119 -0.829 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.587 0.993 0.424 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.703 1.877 0.713 1.00 0.00 C ATOM 1658 C LYS A 105 -12.180 3.299 0.928 1.00 0.00 C ATOM 1659 O LYS A 105 -12.537 4.214 0.188 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.523 1.339 1.888 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.705 2.260 2.199 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.438 3.088 3.458 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.981 2.384 4.702 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.357 2.841 4.997 1.00 0.00 N ATOM 0 H LYS A 105 -11.638 0.080 0.876 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.388 1.914 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.888 0.339 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.887 1.248 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.885 2.924 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.608 1.665 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.366 3.254 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.904 4.069 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.975 1.305 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.333 2.588 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.711 2.353 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.353 3.867 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.975 2.624 4.189 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.343 3.439 1.946 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.768 4.734 2.268 1.00 0.00 C ATOM 1680 C PHE A 106 -9.972 5.290 1.085 1.00 0.00 C ATOM 1681 O PHE A 106 -10.227 6.403 0.629 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.820 4.521 3.450 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.519 4.496 4.811 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.095 5.627 5.300 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.563 3.344 5.532 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.744 5.604 6.563 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.211 3.321 6.795 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.788 4.452 7.284 1.00 0.00 C ATOM 0 H PHE A 106 -11.050 2.678 2.558 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.560 5.444 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.286 3.581 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.073 5.315 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.059 6.542 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.105 2.446 5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.203 6.502 6.951 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.246 2.406 7.368 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.281 4.435 8.245 1.00 0.00 H new ATOM 1698 N LEU A 107 -9.023 4.489 0.623 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.188 4.886 -0.498 1.00 0.00 C ATOM 1700 C LEU A 107 -9.076 5.410 -1.629 1.00 0.00 C ATOM 1701 O LEU A 107 -9.007 6.587 -1.982 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.272 3.735 -0.918 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.232 3.295 0.114 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.913 1.805 -0.031 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.974 4.161 0.028 1.00 0.00 C ATOM 0 H LEU A 107 -8.814 3.567 1.005 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.525 5.701 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.893 2.875 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.750 4.026 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.655 3.439 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.171 1.518 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.822 1.222 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.518 1.613 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.251 3.827 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.538 4.072 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.235 5.202 0.218 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.888 4.512 -2.165 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.788 4.869 -3.249 1.00 0.00 C ATOM 1719 C ARG A 108 -11.619 6.096 -2.866 1.00 0.00 C ATOM 1720 O ARG A 108 -11.749 7.032 -3.654 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.728 3.711 -3.588 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.552 3.270 -5.043 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.453 1.746 -5.145 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.617 1.322 -6.554 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.802 1.175 -7.161 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.935 1.417 -6.487 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -12.855 0.786 -8.442 1.00 0.00 N ATOM 0 H ARG A 108 -9.942 3.537 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.180 5.096 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.530 2.870 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.761 4.015 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.393 3.624 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.653 3.725 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.488 1.410 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.219 1.281 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.775 1.130 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.895 1.713 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.837 1.305 -6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.993 0.602 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.757 0.674 -8.904 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.159 6.051 -1.657 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.973 7.148 -1.161 1.00 0.00 C ATOM 1743 C ARG A 109 -12.271 8.484 -1.407 1.00 0.00 C ATOM 1744 O ARG A 109 -12.780 9.331 -2.139 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.252 6.993 0.336 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.152 8.120 0.845 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.776 7.757 2.194 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.231 7.536 2.036 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.145 8.515 2.052 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.761 9.788 2.220 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.444 8.222 1.901 1.00 0.00 N ATOM 0 H ARG A 109 -12.049 5.273 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.920 7.128 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.728 6.030 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.312 6.997 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.571 9.037 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.939 8.318 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.305 6.858 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.597 8.556 2.913 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.558 6.579 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.773 10.011 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.457 10.533 2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.737 7.253 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.140 8.968 1.913 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.113 8.632 -0.780 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.336 9.851 -0.921 1.00 0.00 C ATOM 1767 C VAL A 110 -9.974 10.053 -2.394 1.00 0.00 C ATOM 1768 O VAL A 110 -10.121 11.151 -2.929 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.110 9.800 -0.007 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.398 11.153 0.032 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.495 9.342 1.401 1.00 0.00 C ATOM 0 H VAL A 110 -10.694 7.927 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.923 10.715 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.415 9.068 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.530 11.089 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.073 11.422 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.082 11.914 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.606 9.314 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.218 10.038 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.936 8.346 1.352 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.508 8.975 -3.009 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.125 9.020 -4.410 1.00 0.00 C ATOM 1783 C ALA A 111 -10.322 9.474 -5.248 1.00 0.00 C ATOM 1784 O ALA A 111 -10.152 9.978 -6.357 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.599 7.649 -4.839 1.00 0.00 C ATOM 0 H ALA A 111 -9.387 8.066 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.322 9.741 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.312 7.682 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.731 7.386 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.379 6.900 -4.700 1.00 0.00 H new