USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -0.161 X(o=-0.62,f=-0.15) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.463 X(o=-0.62,f=-0.15) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -39:sc= 0.918 USER MOD Single : A 17 ASN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 21 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.71) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 97:sc= 0.00115 USER MOD Single : A 38 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.82) USER MOD Single : A 40 TYR OH : rot -140:sc= -1.24 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.129 (180deg=-0.519) USER MOD Single : A 55 MET CE :methyl -164:sc= -0.402 (180deg=-1.21) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.137 (180deg=-0.605) USER MOD Single : A 61 SER OG : rot 109:sc= 1.26 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 143:sc= -0.781 (180deg=-3.42!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -9.3! C(o=-9.3!,f=-9.6!) USER MOD Single : A 80 THR OG1 : rot 11:sc= 0.293 USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= -0.0273 (180deg=-0.316) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 161:sc= 0.365 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.855 K(o=-0.86,f=-3!) USER MOD Single : A 95 SER OG : rot -21:sc= 0.347 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 5.649 -2.347 10.419 1.00 1.01 N ATOM 104 CA GLY A 9 4.409 -2.546 9.688 1.00 1.09 C ATOM 105 C GLY A 9 3.653 -1.253 9.429 1.00 1.08 C ATOM 106 O GLY A 9 2.931 -1.142 8.438 1.00 1.26 O ATOM 0 HA2 GLY A 9 4.630 -3.028 8.735 1.00 1.09 H new ATOM 0 HA3 GLY A 9 3.769 -3.227 10.249 1.00 1.09 H new ATOM 110 N LYS A 10 3.817 -0.278 10.322 1.00 1.12 N ATOM 111 CA LYS A 10 3.137 1.013 10.190 1.00 1.33 C ATOM 112 C LYS A 10 3.312 1.617 8.790 1.00 1.14 C ATOM 113 O LYS A 10 2.332 2.031 8.170 1.00 1.22 O ATOM 114 CB LYS A 10 3.644 1.996 11.252 1.00 1.68 C ATOM 115 CG LYS A 10 3.154 3.423 11.052 1.00 2.23 C ATOM 116 CD LYS A 10 1.638 3.513 11.148 1.00 3.07 C ATOM 117 CE LYS A 10 1.151 4.943 10.975 1.00 3.89 C ATOM 118 NZ LYS A 10 -0.335 5.030 10.985 1.00 4.57 N ATOM 0 H LYS A 10 4.414 -0.356 11.145 1.00 1.12 H new ATOM 0 HA LYS A 10 2.073 0.833 10.342 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.329 1.648 12.236 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.734 1.992 11.247 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.606 4.072 11.802 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.480 3.787 10.078 1.00 2.23 H new ATOM 0 HD2 LYS A 10 1.186 2.879 10.385 1.00 3.07 H new ATOM 0 HD3 LYS A 10 1.311 3.131 12.115 1.00 3.07 H new ATOM 0 HE2 LYS A 10 1.556 5.563 11.775 1.00 3.89 H new ATOM 0 HE3 LYS A 10 1.532 5.345 10.036 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 -0.626 6.021 10.864 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 -0.721 4.459 10.207 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 -0.698 4.671 11.891 1.00 4.57 H new ATOM 132 N PRO A 11 4.555 1.688 8.270 1.00 1.03 N ATOM 133 CA PRO A 11 4.815 2.258 6.943 1.00 1.05 C ATOM 134 C PRO A 11 4.197 1.434 5.821 1.00 0.77 C ATOM 135 O PRO A 11 3.412 1.947 5.028 1.00 0.72 O ATOM 136 CB PRO A 11 6.342 2.235 6.829 1.00 1.20 C ATOM 137 CG PRO A 11 6.773 1.179 7.782 1.00 1.49 C ATOM 138 CD PRO A 11 5.796 1.227 8.917 1.00 1.15 C ATOM 0 HA PRO A 11 4.379 3.252 6.845 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.660 2.005 5.812 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.773 3.202 7.087 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.771 0.199 7.306 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.789 1.361 8.133 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.669 0.249 9.381 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.121 1.912 9.700 1.00 1.15 H new ATOM 146 N LEU A 12 4.554 0.154 5.766 1.00 0.70 N ATOM 147 CA LEU A 12 4.055 -0.741 4.728 1.00 0.57 C ATOM 148 C LEU A 12 2.534 -0.676 4.605 1.00 0.48 C ATOM 149 O LEU A 12 1.987 -0.866 3.519 1.00 0.53 O ATOM 150 CB LEU A 12 4.493 -2.179 5.009 1.00 0.61 C ATOM 151 CG LEU A 12 4.441 -3.114 3.800 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.512 -2.733 2.788 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.607 -4.561 4.236 1.00 0.91 C ATOM 0 H LEU A 12 5.189 -0.287 6.431 1.00 0.70 H new ATOM 0 HA LEU A 12 4.482 -0.411 3.781 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.512 -2.164 5.395 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.860 -2.590 5.795 1.00 0.61 H new ATOM 0 HG LEU A 12 3.465 -3.010 3.325 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.462 -3.408 1.934 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.347 -1.709 2.452 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.495 -2.809 3.253 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.567 -5.211 3.362 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.568 -4.683 4.735 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.805 -4.828 4.924 1.00 0.91 H new ATOM 165 N SER A 13 1.852 -0.406 5.716 1.00 0.52 N ATOM 166 CA SER A 13 0.394 -0.322 5.703 1.00 0.61 C ATOM 167 C SER A 13 -0.058 1.026 5.158 1.00 0.58 C ATOM 168 O SER A 13 -0.922 1.095 4.283 1.00 0.69 O ATOM 169 CB SER A 13 -0.175 -0.550 7.103 1.00 0.78 C ATOM 170 OG SER A 13 0.232 0.471 7.996 1.00 1.39 O ATOM 0 H SER A 13 2.280 -0.243 6.627 1.00 0.52 H new ATOM 0 HA SER A 13 0.014 -1.106 5.048 1.00 0.61 H new ATOM 0 HB2 SER A 13 -1.263 -0.581 7.055 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.156 -1.518 7.479 1.00 0.78 H new ATOM 0 HG SER A 13 1.165 0.711 7.815 1.00 1.39 H new ATOM 176 N GLY A 14 0.530 2.098 5.682 1.00 0.56 N ATOM 177 CA GLY A 14 0.189 3.428 5.216 1.00 0.59 C ATOM 178 C GLY A 14 0.894 3.753 3.917 1.00 0.55 C ATOM 179 O GLY A 14 0.791 4.864 3.400 1.00 0.58 O ATOM 0 H GLY A 14 1.235 2.068 6.419 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -0.889 3.501 5.075 1.00 0.59 H new ATOM 0 HA3 GLY A 14 0.462 4.162 5.974 1.00 0.59 H new ATOM 183 N LEU A 15 1.619 2.769 3.399 1.00 0.52 N ATOM 184 CA LEU A 15 2.351 2.912 2.148 1.00 0.52 C ATOM 185 C LEU A 15 1.375 3.056 0.992 1.00 0.46 C ATOM 186 O LEU A 15 1.432 4.018 0.229 1.00 0.47 O ATOM 187 CB LEU A 15 3.229 1.679 1.930 1.00 0.57 C ATOM 188 CG LEU A 15 4.714 1.948 1.658 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.883 2.883 0.469 1.00 0.97 C ATOM 190 CD2 LEU A 15 5.398 2.519 2.893 1.00 1.10 C ATOM 0 H LEU A 15 1.716 1.851 3.834 1.00 0.52 H new ATOM 0 HA LEU A 15 2.978 3.802 2.197 1.00 0.52 H new ATOM 0 HB2 LEU A 15 3.151 1.042 2.811 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.824 1.113 1.091 1.00 0.57 H new ATOM 0 HG LEU A 15 5.190 0.998 1.416 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.944 3.060 0.294 1.00 0.97 H new ATOM 0 HD12 LEU A 15 4.440 2.429 -0.417 1.00 0.97 H new ATOM 0 HD13 LEU A 15 4.386 3.831 0.678 1.00 0.97 H new ATOM 0 HD21 LEU A 15 6.450 2.701 2.675 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.918 3.456 3.174 1.00 1.10 H new ATOM 0 HD23 LEU A 15 5.316 1.809 3.716 1.00 1.10 H new ATOM 202 N LEU A 16 0.469 2.089 0.886 1.00 0.45 N ATOM 203 CA LEU A 16 -0.538 2.089 -0.167 1.00 0.42 C ATOM 204 C LEU A 16 -1.412 3.331 -0.037 1.00 0.40 C ATOM 205 O LEU A 16 -2.075 3.749 -0.988 1.00 0.41 O ATOM 206 CB LEU A 16 -1.396 0.821 -0.081 1.00 0.47 C ATOM 207 CG LEU A 16 -0.627 -0.471 0.164 1.00 0.53 C ATOM 208 CD1 LEU A 16 -1.522 -1.512 0.818 1.00 0.86 C ATOM 209 CD2 LEU A 16 -0.044 -0.998 -1.139 1.00 0.92 C ATOM 0 H LEU A 16 0.413 1.292 1.520 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.042 2.103 -1.137 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.124 0.949 0.720 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -1.958 0.719 -1.009 1.00 0.47 H new ATOM 0 HG LEU A 16 0.197 -0.259 0.845 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.954 -2.427 0.985 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -1.885 -1.132 1.773 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -2.369 -1.724 0.166 1.00 0.86 H new ATOM 0 HD21 LEU A 16 0.502 -1.921 -0.946 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.851 -1.194 -1.845 1.00 0.92 H new ATOM 0 HD23 LEU A 16 0.635 -0.256 -1.560 1.00 0.92 H new ATOM 221 N ASN A 17 -1.401 3.910 1.160 1.00 0.40 N ATOM 222 CA ASN A 17 -2.173 5.109 1.456 1.00 0.42 C ATOM 223 C ASN A 17 -1.492 6.351 0.884 1.00 0.38 C ATOM 224 O ASN A 17 -2.080 7.084 0.090 1.00 0.42 O ATOM 225 CB ASN A 17 -2.338 5.253 2.970 1.00 0.47 C ATOM 226 CG ASN A 17 -2.876 6.615 3.369 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.088 6.817 3.446 1.00 1.93 O ATOM 228 ND2 ASN A 17 -1.976 7.556 3.628 1.00 2.33 N ATOM 0 H ASN A 17 -0.857 3.561 1.949 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.154 5.014 0.990 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.013 4.478 3.334 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -1.375 5.090 3.454 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -2.280 8.490 3.903 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -0.981 7.345 3.552 1.00 2.33 H new ATOM 235 N ALA A 18 -0.250 6.580 1.302 1.00 0.37 N ATOM 236 CA ALA A 18 0.525 7.726 0.837 1.00 0.37 C ATOM 237 C ALA A 18 0.708 7.689 -0.677 1.00 0.38 C ATOM 238 O ALA A 18 0.722 8.726 -1.339 1.00 0.44 O ATOM 239 CB ALA A 18 1.878 7.747 1.521 1.00 0.42 C ATOM 0 H ALA A 18 0.243 5.983 1.966 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.024 8.633 1.091 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.450 8.605 1.169 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.739 7.821 2.600 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.418 6.830 1.287 1.00 0.42 H new ATOM 245 N LEU A 19 0.847 6.480 -1.215 1.00 0.42 N ATOM 246 CA LEU A 19 1.044 6.288 -2.649 1.00 0.48 C ATOM 247 C LEU A 19 -0.155 6.773 -3.456 1.00 0.52 C ATOM 248 O LEU A 19 -0.104 6.818 -4.686 1.00 0.69 O ATOM 249 CB LEU A 19 1.303 4.811 -2.950 1.00 0.51 C ATOM 250 CG LEU A 19 2.638 4.269 -2.440 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.595 2.752 -2.354 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.773 4.722 -3.344 1.00 0.94 C ATOM 0 H LEU A 19 0.827 5.614 -0.676 1.00 0.42 H new ATOM 0 HA LEU A 19 1.909 6.882 -2.943 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.498 4.221 -2.512 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.257 4.663 -4.029 1.00 0.51 H new ATOM 0 HG LEU A 19 2.816 4.665 -1.440 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.553 2.381 -1.989 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.804 2.449 -1.669 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.398 2.337 -3.342 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.717 4.328 -2.968 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.603 4.352 -4.355 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.814 5.811 -3.358 1.00 0.94 H new ATOM 264 N ALA A 20 -1.234 7.129 -2.767 1.00 0.54 N ATOM 265 CA ALA A 20 -2.436 7.613 -3.437 1.00 0.64 C ATOM 266 C ALA A 20 -2.215 9.015 -3.994 1.00 0.78 C ATOM 267 O ALA A 20 -2.684 10.001 -3.427 1.00 1.59 O ATOM 268 CB ALA A 20 -3.621 7.597 -2.482 1.00 0.76 C ATOM 0 H ALA A 20 -1.301 7.092 -1.750 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.656 6.946 -4.271 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.509 7.961 -2.998 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.795 6.578 -2.135 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.409 8.240 -1.628 1.00 0.76 H new ATOM 274 N GLN A 21 -1.494 9.094 -5.107 1.00 0.71 N ATOM 275 CA GLN A 21 -1.197 10.371 -5.742 1.00 0.81 C ATOM 276 C GLN A 21 -2.340 10.807 -6.651 1.00 1.05 C ATOM 277 O GLN A 21 -2.653 10.137 -7.635 1.00 1.54 O ATOM 278 CB GLN A 21 0.103 10.267 -6.542 1.00 1.12 C ATOM 279 CG GLN A 21 1.253 9.668 -5.749 1.00 1.08 C ATOM 280 CD GLN A 21 2.534 9.575 -6.553 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.781 8.580 -7.235 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.359 10.612 -6.473 1.00 1.21 N ATOM 0 H GLN A 21 -1.103 8.285 -5.589 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.078 11.123 -4.962 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.073 9.659 -7.429 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.389 11.260 -6.888 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.430 10.274 -4.860 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.972 8.673 -5.405 1.00 1.08 H new ATOM 0 HE21 GLN A 21 3.113 11.416 -5.895 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.239 10.605 -6.989 1.00 1.21 H new ATOM 404 N ILE A 30 -3.552 15.097 -0.554 1.00 1.02 N ATOM 405 CA ILE A 30 -2.378 14.280 -0.832 1.00 0.84 C ATOM 406 C ILE A 30 -1.534 14.899 -1.948 1.00 0.87 C ATOM 407 O ILE A 30 -2.065 15.363 -2.959 1.00 1.18 O ATOM 408 CB ILE A 30 -2.778 12.837 -1.216 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.549 11.922 -1.244 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.495 12.817 -2.559 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.000 11.601 0.132 1.00 0.75 C ATOM 0 HA ILE A 30 -1.783 14.243 0.081 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.464 12.461 -0.457 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.811 10.991 -1.748 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.767 12.396 -1.837 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.768 11.792 -2.811 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.396 13.428 -2.500 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.836 13.216 -3.330 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.132 10.950 0.034 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.707 12.524 0.631 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.767 11.098 0.721 1.00 0.75 H new ATOM 423 N THR A 31 -0.219 14.911 -1.751 1.00 0.88 N ATOM 424 CA THR A 31 0.703 15.478 -2.732 1.00 0.97 C ATOM 425 C THR A 31 1.825 14.491 -3.047 1.00 0.86 C ATOM 426 O THR A 31 2.114 13.598 -2.250 1.00 0.78 O ATOM 427 CB THR A 31 1.308 16.804 -2.227 1.00 1.07 C ATOM 428 OG1 THR A 31 0.266 17.667 -1.755 1.00 1.72 O ATOM 429 CG2 THR A 31 2.089 17.508 -3.327 1.00 1.06 C ATOM 0 H THR A 31 0.234 14.534 -0.919 1.00 0.88 H new ATOM 0 HA THR A 31 0.135 15.678 -3.640 1.00 0.97 H new ATOM 0 HB THR A 31 1.993 16.572 -1.412 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.657 18.506 -1.434 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.503 18.439 -2.940 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.900 16.864 -3.667 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.424 17.726 -4.163 1.00 1.06 H new ATOM 437 N GLU A 32 2.450 14.653 -4.208 1.00 0.93 N ATOM 438 CA GLU A 32 3.529 13.763 -4.620 1.00 0.95 C ATOM 439 C GLU A 32 4.680 13.775 -3.617 1.00 0.84 C ATOM 440 O GLU A 32 5.154 12.720 -3.197 1.00 0.91 O ATOM 441 CB GLU A 32 4.040 14.155 -6.009 1.00 1.15 C ATOM 442 CG GLU A 32 5.221 13.326 -6.486 1.00 1.47 C ATOM 443 CD GLU A 32 5.797 13.830 -7.795 1.00 1.59 C ATOM 444 OE1 GLU A 32 6.622 14.766 -7.757 1.00 1.98 O ATOM 445 OE2 GLU A 32 5.424 13.289 -8.855 1.00 1.56 O ATOM 0 H GLU A 32 2.229 15.389 -4.878 1.00 0.93 H new ATOM 0 HA GLU A 32 3.126 12.751 -4.657 1.00 0.95 H new ATOM 0 HB2 GLU A 32 3.225 14.056 -6.727 1.00 1.15 H new ATOM 0 HB3 GLU A 32 4.328 15.206 -5.996 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.999 13.337 -5.723 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.907 12.289 -6.607 1.00 1.47 H new ATOM 452 N GLU A 33 5.130 14.963 -3.232 1.00 0.80 N ATOM 453 CA GLU A 33 6.221 15.078 -2.271 1.00 0.79 C ATOM 454 C GLU A 33 5.717 14.768 -0.867 1.00 0.64 C ATOM 455 O GLU A 33 6.499 14.624 0.072 1.00 0.70 O ATOM 456 CB GLU A 33 6.831 16.480 -2.314 1.00 0.97 C ATOM 457 CG GLU A 33 7.519 16.804 -3.629 1.00 1.63 C ATOM 458 CD GLU A 33 8.202 18.158 -3.610 1.00 2.05 C ATOM 459 OE1 GLU A 33 9.352 18.236 -3.130 1.00 2.36 O ATOM 460 OE2 GLU A 33 7.586 19.140 -4.075 1.00 2.64 O ATOM 0 H GLU A 33 4.761 15.853 -3.566 1.00 0.80 H new ATOM 0 HA GLU A 33 6.994 14.357 -2.537 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.046 17.214 -2.134 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.552 16.578 -1.502 1.00 0.97 H new ATOM 0 HG2 GLU A 33 8.256 16.032 -3.849 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.785 16.783 -4.434 1.00 1.63 H new ATOM 467 N LEU A 34 4.399 14.667 -0.744 1.00 0.54 N ATOM 468 CA LEU A 34 3.760 14.379 0.530 1.00 0.49 C ATOM 469 C LEU A 34 3.708 12.878 0.801 1.00 0.43 C ATOM 470 O LEU A 34 3.762 12.449 1.952 1.00 0.46 O ATOM 471 CB LEU A 34 2.347 14.948 0.537 1.00 0.57 C ATOM 472 CG LEU A 34 1.610 14.842 1.867 1.00 0.91 C ATOM 473 CD1 LEU A 34 2.179 15.824 2.879 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.130 15.085 1.653 1.00 1.48 C ATOM 0 H LEU A 34 3.748 14.782 -1.521 1.00 0.54 H new ATOM 0 HA LEU A 34 4.352 14.846 1.317 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.394 15.998 0.249 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.762 14.434 -0.226 1.00 0.57 H new ATOM 0 HG LEU A 34 1.747 13.837 2.267 1.00 0.91 H new ATOM 0 HD11 LEU A 34 1.638 15.731 3.821 1.00 1.75 H new ATOM 0 HD12 LEU A 34 3.234 15.606 3.044 1.00 1.75 H new ATOM 0 HD13 LEU A 34 2.073 16.840 2.499 1.00 1.75 H new ATOM 0 HD21 LEU A 34 -0.393 15.008 2.606 1.00 1.48 H new ATOM 0 HD22 LEU A 34 -0.019 16.081 1.237 1.00 1.48 H new ATOM 0 HD23 LEU A 34 -0.265 14.340 0.962 1.00 1.48 H new ATOM 486 N LEU A 35 3.596 12.085 -0.262 1.00 0.45 N ATOM 487 CA LEU A 35 3.520 10.639 -0.135 1.00 0.49 C ATOM 488 C LEU A 35 4.660 10.092 0.729 1.00 0.43 C ATOM 489 O LEU A 35 4.467 9.154 1.500 1.00 0.50 O ATOM 490 CB LEU A 35 3.513 10.002 -1.530 1.00 0.63 C ATOM 491 CG LEU A 35 4.880 9.714 -2.156 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.366 8.329 -1.766 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.806 9.837 -3.671 1.00 1.08 C ATOM 0 H LEU A 35 3.556 12.425 -1.223 1.00 0.45 H new ATOM 0 HA LEU A 35 2.591 10.378 0.373 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.959 9.065 -1.474 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.961 10.659 -2.202 1.00 0.63 H new ATOM 0 HG LEU A 35 5.591 10.449 -1.779 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.339 8.143 -2.221 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.455 8.267 -0.681 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.654 7.582 -2.115 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.786 9.629 -4.101 1.00 1.08 H new ATOM 0 HD22 LEU A 35 4.080 9.122 -4.059 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.499 10.848 -3.939 1.00 1.08 H new ATOM 505 N ARG A 36 5.843 10.683 0.606 1.00 0.38 N ATOM 506 CA ARG A 36 6.992 10.248 1.395 1.00 0.38 C ATOM 507 C ARG A 36 6.932 10.841 2.798 1.00 0.34 C ATOM 508 O ARG A 36 6.936 10.117 3.794 1.00 0.37 O ATOM 509 CB ARG A 36 8.301 10.651 0.697 1.00 0.46 C ATOM 510 CG ARG A 36 9.385 11.176 1.634 1.00 1.18 C ATOM 511 CD ARG A 36 10.483 11.899 0.870 1.00 1.73 C ATOM 512 NE ARG A 36 11.429 12.561 1.764 1.00 2.64 N ATOM 513 CZ ARG A 36 11.793 13.834 1.640 1.00 3.41 C ATOM 514 NH1 ARG A 36 11.288 14.580 0.665 1.00 3.46 N ATOM 515 NH2 ARG A 36 12.658 14.365 2.494 1.00 4.28 N ATOM 0 H ARG A 36 6.032 11.460 -0.028 1.00 0.38 H new ATOM 0 HA ARG A 36 6.963 9.162 1.480 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.691 9.787 0.159 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.080 11.417 -0.047 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.940 11.854 2.362 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.816 10.346 2.194 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.017 11.186 0.242 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.036 12.638 0.205 1.00 1.73 H new ATOM 0 HE ARG A 36 11.833 12.017 2.526 1.00 2.64 H new ATOM 0 HH11 ARG A 36 10.619 14.177 0.009 1.00 3.46 H new ATOM 0 HH12 ARG A 36 11.569 15.556 0.572 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.045 13.797 3.247 1.00 4.28 H new ATOM 0 HH22 ARG A 36 12.936 15.342 2.397 1.00 4.28 H new ATOM 529 N SER A 37 6.872 12.163 2.856 1.00 0.36 N ATOM 530 CA SER A 37 6.819 12.883 4.121 1.00 0.40 C ATOM 531 C SER A 37 5.664 12.399 4.999 1.00 0.40 C ATOM 532 O SER A 37 5.670 12.608 6.212 1.00 0.46 O ATOM 533 CB SER A 37 6.685 14.384 3.865 1.00 0.47 C ATOM 534 OG SER A 37 7.794 14.878 3.134 1.00 1.33 O ATOM 0 H SER A 37 6.859 12.765 2.033 1.00 0.36 H new ATOM 0 HA SER A 37 7.749 12.686 4.654 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.765 14.581 3.314 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.607 14.913 4.815 1.00 0.47 H new ATOM 0 HG SER A 37 7.567 14.918 2.182 1.00 1.33 H new ATOM 540 N GLN A 38 4.677 11.755 4.381 1.00 0.36 N ATOM 541 CA GLN A 38 3.514 11.258 5.108 1.00 0.39 C ATOM 542 C GLN A 38 3.902 10.246 6.182 1.00 0.43 C ATOM 543 O GLN A 38 3.581 10.429 7.357 1.00 0.67 O ATOM 544 CB GLN A 38 2.511 10.622 4.143 1.00 0.42 C ATOM 545 CG GLN A 38 1.409 11.568 3.696 1.00 0.74 C ATOM 546 CD GLN A 38 0.528 12.024 4.842 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.347 11.304 5.824 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.025 13.225 4.724 1.00 1.84 N ATOM 0 H GLN A 38 4.660 11.566 3.379 1.00 0.36 H new ATOM 0 HA GLN A 38 3.054 12.115 5.601 1.00 0.39 H new ATOM 0 HB2 GLN A 38 3.045 10.260 3.265 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.060 9.753 4.622 1.00 0.42 H new ATOM 0 HG2 GLN A 38 1.856 12.440 3.218 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.794 11.073 2.945 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.152 13.789 3.892 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -0.627 13.584 5.465 1.00 1.84 H new ATOM 557 N LEU A 39 4.591 9.180 5.783 1.00 0.41 N ATOM 558 CA LEU A 39 4.984 8.143 6.731 1.00 0.53 C ATOM 559 C LEU A 39 6.456 7.753 6.595 1.00 0.51 C ATOM 560 O LEU A 39 7.114 7.451 7.591 1.00 0.61 O ATOM 561 CB LEU A 39 4.102 6.907 6.542 1.00 0.69 C ATOM 562 CG LEU A 39 2.600 7.191 6.438 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.150 7.197 4.982 1.00 1.09 C ATOM 564 CD2 LEU A 39 1.810 6.170 7.241 1.00 1.07 C ATOM 0 H LEU A 39 4.886 9.013 4.821 1.00 0.41 H new ATOM 0 HA LEU A 39 4.848 8.552 7.732 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.421 6.387 5.639 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.271 6.228 7.378 1.00 0.69 H new ATOM 0 HG LEU A 39 2.408 8.180 6.855 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.080 7.401 4.933 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.692 7.970 4.437 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.355 6.225 4.534 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.745 6.386 7.157 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.009 5.170 6.855 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.109 6.221 8.288 1.00 1.07 H new ATOM 576 N TYR A 40 6.972 7.760 5.370 1.00 0.46 N ATOM 577 CA TYR A 40 8.364 7.381 5.129 1.00 0.48 C ATOM 578 C TYR A 40 9.203 8.561 4.647 1.00 0.42 C ATOM 579 O TYR A 40 9.263 8.831 3.450 1.00 0.46 O ATOM 580 CB TYR A 40 8.449 6.243 4.107 1.00 0.58 C ATOM 581 CG TYR A 40 7.342 6.241 3.076 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.046 5.895 3.429 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.592 6.595 1.755 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.028 5.900 2.497 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.579 6.599 0.815 1.00 1.30 C ATOM 586 CZ TYR A 40 5.315 6.227 1.173 1.00 1.48 C ATOM 587 OH TYR A 40 4.287 6.257 0.259 1.00 1.97 O ATOM 0 H TYR A 40 6.453 8.022 4.532 1.00 0.46 H new ATOM 0 HA TYR A 40 8.768 7.043 6.083 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.408 6.305 3.592 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.434 5.292 4.639 1.00 0.58 H new ATOM 0 HD1 TYR A 40 5.830 5.617 4.450 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.593 6.871 1.459 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.019 5.653 2.791 1.00 1.38 H new ATOM 0 HE2 TYR A 40 6.787 6.896 -0.202 1.00 1.30 H new ATOM 0 HH TYR A 40 4.592 5.872 -0.589 1.00 1.97 H new ATOM 597 N PRO A 41 9.872 9.274 5.574 1.00 0.47 N ATOM 598 CA PRO A 41 10.720 10.418 5.227 1.00 0.51 C ATOM 599 C PRO A 41 12.042 9.985 4.601 1.00 0.57 C ATOM 600 O PRO A 41 12.710 10.773 3.932 1.00 0.79 O ATOM 601 CB PRO A 41 10.968 11.089 6.577 1.00 0.66 C ATOM 602 CG PRO A 41 10.898 9.973 7.559 1.00 0.75 C ATOM 603 CD PRO A 41 9.850 9.030 7.031 1.00 0.62 C ATOM 0 HA PRO A 41 10.251 11.068 4.488 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.940 11.582 6.604 1.00 0.66 H new ATOM 0 HB3 PRO A 41 10.218 11.851 6.787 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.862 9.473 7.653 1.00 0.75 H new ATOM 0 HG3 PRO A 41 10.631 10.340 8.550 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.087 7.993 7.268 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.869 9.239 7.459 1.00 0.62 H new ATOM 611 N GLU A 42 12.415 8.727 4.826 1.00 0.48 N ATOM 612 CA GLU A 42 13.660 8.193 4.284 1.00 0.55 C ATOM 613 C GLU A 42 13.550 7.971 2.779 1.00 0.57 C ATOM 614 O GLU A 42 14.433 8.374 2.021 1.00 0.71 O ATOM 615 CB GLU A 42 14.036 6.887 4.992 1.00 0.59 C ATOM 616 CG GLU A 42 12.971 5.806 4.905 1.00 0.58 C ATOM 617 CD GLU A 42 13.365 4.550 5.655 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.048 4.454 6.860 1.00 0.87 O ATOM 619 OE2 GLU A 42 13.987 3.661 5.038 1.00 0.94 O ATOM 0 H GLU A 42 11.874 8.061 5.378 1.00 0.48 H new ATOM 0 HA GLU A 42 14.448 8.925 4.462 1.00 0.55 H new ATOM 0 HB2 GLU A 42 14.962 6.506 4.561 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.237 7.100 6.042 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.034 6.189 5.309 1.00 0.58 H new ATOM 0 HG3 GLU A 42 12.790 5.560 3.859 1.00 0.58 H new ATOM 626 N VAL A 43 12.465 7.330 2.349 1.00 0.52 N ATOM 627 CA VAL A 43 12.241 7.068 0.933 1.00 0.60 C ATOM 628 C VAL A 43 11.968 8.375 0.186 1.00 0.51 C ATOM 629 O VAL A 43 10.933 9.003 0.398 1.00 0.52 O ATOM 630 CB VAL A 43 11.056 6.094 0.724 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.313 6.389 -0.571 1.00 0.90 C ATOM 632 CG2 VAL A 43 11.545 4.656 0.728 1.00 0.99 C ATOM 0 H VAL A 43 11.728 6.983 2.963 1.00 0.52 H new ATOM 0 HA VAL A 43 13.144 6.605 0.535 1.00 0.60 H new ATOM 0 HB VAL A 43 10.361 6.238 1.551 1.00 0.74 H new ATOM 0 HG11 VAL A 43 9.488 5.686 -0.685 1.00 0.90 H new ATOM 0 HG12 VAL A 43 9.922 7.406 -0.543 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.996 6.286 -1.414 1.00 0.90 H new ATOM 0 HG21 VAL A 43 10.700 3.984 0.580 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.266 4.515 -0.077 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.020 4.436 1.684 1.00 0.99 H new ATOM 642 N PRO A 44 12.892 8.813 -0.691 1.00 0.56 N ATOM 643 CA PRO A 44 12.708 10.046 -1.460 1.00 0.54 C ATOM 644 C PRO A 44 11.460 9.982 -2.332 1.00 0.54 C ATOM 645 O PRO A 44 10.982 8.895 -2.654 1.00 0.60 O ATOM 646 CB PRO A 44 13.964 10.125 -2.335 1.00 0.64 C ATOM 647 CG PRO A 44 14.964 9.252 -1.660 1.00 0.67 C ATOM 648 CD PRO A 44 14.175 8.159 -0.998 1.00 0.76 C ATOM 0 HA PRO A 44 12.576 10.915 -0.815 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.760 9.780 -3.349 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.325 11.150 -2.414 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.673 8.842 -2.379 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.543 9.815 -0.928 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.043 7.301 -1.657 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.668 7.795 -0.097 1.00 0.76 H new ATOM 656 N PRO A 45 10.907 11.144 -2.726 1.00 0.56 N ATOM 657 CA PRO A 45 9.711 11.204 -3.572 1.00 0.67 C ATOM 658 C PRO A 45 9.993 10.748 -5.002 1.00 0.77 C ATOM 659 O PRO A 45 9.245 11.068 -5.927 1.00 1.08 O ATOM 660 CB PRO A 45 9.319 12.692 -3.543 1.00 0.72 C ATOM 661 CG PRO A 45 10.113 13.287 -2.428 1.00 0.63 C ATOM 662 CD PRO A 45 11.380 12.490 -2.374 1.00 0.56 C ATOM 0 HA PRO A 45 8.924 10.542 -3.212 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.548 13.178 -4.492 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.249 12.814 -3.373 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.319 14.341 -2.612 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.571 13.228 -1.484 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.125 12.859 -3.079 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.837 12.516 -1.385 1.00 0.56 H new ATOM 670 N GLU A 46 11.080 9.997 -5.173 1.00 0.65 N ATOM 671 CA GLU A 46 11.470 9.483 -6.481 1.00 0.77 C ATOM 672 C GLU A 46 12.013 8.061 -6.360 1.00 0.71 C ATOM 673 O GLU A 46 11.771 7.219 -7.226 1.00 0.81 O ATOM 674 CB GLU A 46 12.523 10.391 -7.119 1.00 0.92 C ATOM 675 CG GLU A 46 13.008 9.903 -8.475 1.00 1.61 C ATOM 676 CD GLU A 46 14.107 10.775 -9.049 1.00 2.17 C ATOM 677 OE1 GLU A 46 15.282 10.565 -8.685 1.00 3.02 O ATOM 678 OE2 GLU A 46 13.792 11.668 -9.865 1.00 2.25 O ATOM 0 H GLU A 46 11.709 9.731 -4.415 1.00 0.65 H new ATOM 0 HA GLU A 46 10.585 9.466 -7.118 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.107 11.393 -7.230 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.376 10.473 -6.445 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.373 8.880 -8.380 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.168 9.878 -9.170 1.00 1.61 H new ATOM 685 N GLU A 47 12.747 7.800 -5.280 1.00 0.63 N ATOM 686 CA GLU A 47 13.329 6.481 -5.048 1.00 0.66 C ATOM 687 C GLU A 47 12.321 5.529 -4.412 1.00 0.55 C ATOM 688 O GLU A 47 12.688 4.464 -3.921 1.00 0.59 O ATOM 689 CB GLU A 47 14.563 6.592 -4.152 1.00 0.81 C ATOM 690 CG GLU A 47 15.857 6.793 -4.922 1.00 1.25 C ATOM 691 CD GLU A 47 17.071 6.854 -4.016 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.617 5.782 -3.683 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.474 7.974 -3.639 1.00 1.58 O ATOM 0 H GLU A 47 12.952 8.485 -4.552 1.00 0.63 H new ATOM 0 HA GLU A 47 13.619 6.077 -6.018 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.427 7.425 -3.462 1.00 0.81 H new ATOM 0 HB3 GLU A 47 14.646 5.688 -3.548 1.00 0.81 H new ATOM 0 HG2 GLU A 47 15.981 5.978 -5.635 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.792 7.715 -5.499 1.00 1.25 H new ATOM 700 N PHE A 48 11.055 5.924 -4.409 1.00 0.48 N ATOM 701 CA PHE A 48 10.005 5.088 -3.840 1.00 0.45 C ATOM 702 C PHE A 48 9.604 3.984 -4.813 1.00 0.41 C ATOM 703 O PHE A 48 9.093 2.941 -4.409 1.00 0.45 O ATOM 704 CB PHE A 48 8.783 5.932 -3.473 1.00 0.54 C ATOM 705 CG PHE A 48 8.086 6.543 -4.656 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.611 7.664 -5.279 1.00 2.39 C ATOM 707 CD2 PHE A 48 6.911 5.998 -5.148 1.00 1.41 C ATOM 708 CE1 PHE A 48 7.978 8.229 -6.370 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.273 6.559 -6.238 1.00 2.36 C ATOM 710 CZ PHE A 48 6.788 7.672 -6.840 1.00 3.35 C ATOM 0 H PHE A 48 10.731 6.812 -4.791 1.00 0.48 H new ATOM 0 HA PHE A 48 10.397 4.627 -2.934 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.074 5.309 -2.928 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.094 6.728 -2.796 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.526 8.101 -4.907 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.489 5.124 -4.674 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.402 9.096 -6.856 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.363 6.116 -6.616 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.275 8.120 -7.678 1.00 3.35 H new ATOM 720 N ARG A 49 9.846 4.225 -6.097 1.00 0.43 N ATOM 721 CA ARG A 49 9.493 3.269 -7.141 1.00 0.47 C ATOM 722 C ARG A 49 10.186 1.914 -6.953 1.00 0.49 C ATOM 723 O ARG A 49 9.523 0.878 -7.001 1.00 0.52 O ATOM 724 CB ARG A 49 9.820 3.841 -8.523 1.00 0.58 C ATOM 725 CG ARG A 49 8.927 3.297 -9.626 1.00 1.06 C ATOM 726 CD ARG A 49 7.489 3.766 -9.460 1.00 1.14 C ATOM 727 NE ARG A 49 7.320 5.164 -9.849 1.00 1.80 N ATOM 728 CZ ARG A 49 6.203 5.857 -9.641 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.170 5.293 -9.028 1.00 2.42 N ATOM 730 NH2 ARG A 49 6.122 7.118 -10.039 1.00 3.07 N ATOM 0 H ARG A 49 10.287 5.078 -6.441 1.00 0.43 H new ATOM 0 HA ARG A 49 8.419 3.097 -7.065 1.00 0.47 H new ATOM 0 HB2 ARG A 49 9.725 4.926 -8.491 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.860 3.619 -8.764 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.307 3.620 -10.595 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.959 2.208 -9.618 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.832 3.140 -10.063 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.184 3.640 -8.421 1.00 1.14 H new ATOM 0 HE ARG A 49 8.101 5.635 -10.305 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.230 4.324 -8.714 1.00 2.42 H new ATOM 0 HH12 ARG A 49 4.316 5.828 -8.871 1.00 2.42 H new ATOM 0 HH21 ARG A 49 6.916 7.558 -10.505 1.00 3.07 H new ATOM 0 HH22 ARG A 49 5.266 7.649 -9.880 1.00 3.07 H new ATOM 744 N PRO A 50 11.522 1.882 -6.749 1.00 0.52 N ATOM 745 CA PRO A 50 12.248 0.621 -6.566 1.00 0.59 C ATOM 746 C PRO A 50 11.652 -0.237 -5.459 1.00 0.58 C ATOM 747 O PRO A 50 11.616 -1.463 -5.570 1.00 0.68 O ATOM 748 CB PRO A 50 13.676 1.052 -6.207 1.00 0.63 C ATOM 749 CG PRO A 50 13.594 2.509 -5.901 1.00 0.58 C ATOM 750 CD PRO A 50 12.428 3.039 -6.685 1.00 0.54 C ATOM 0 HA PRO A 50 12.201 0.003 -7.462 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.050 0.492 -5.349 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.361 0.864 -7.034 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.452 2.675 -4.833 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.516 3.018 -6.183 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.962 3.890 -6.189 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.727 3.373 -7.678 1.00 0.54 H new ATOM 758 N PHE A 51 11.187 0.402 -4.389 1.00 0.49 N ATOM 759 CA PHE A 51 10.584 -0.333 -3.286 1.00 0.51 C ATOM 760 C PHE A 51 9.187 -0.802 -3.669 1.00 0.45 C ATOM 761 O PHE A 51 8.651 -1.743 -3.081 1.00 0.52 O ATOM 762 CB PHE A 51 10.537 0.515 -2.013 1.00 0.60 C ATOM 763 CG PHE A 51 11.471 0.019 -0.947 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.255 -1.203 -0.331 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.559 0.784 -0.553 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.108 -1.655 0.658 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.415 0.335 0.434 1.00 2.02 C ATOM 768 CZ PHE A 51 13.207 -0.912 1.013 1.00 2.20 C ATOM 0 H PHE A 51 11.216 1.414 -4.264 1.00 0.49 H new ATOM 0 HA PHE A 51 11.204 -1.205 -3.080 1.00 0.51 H new ATOM 0 HB2 PHE A 51 10.790 1.546 -2.260 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.519 0.521 -1.623 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.411 -1.809 -0.627 1.00 1.29 H new ATOM 0 HD2 PHE A 51 12.739 1.740 -1.022 1.00 1.44 H new ATOM 0 HE1 PHE A 51 11.910 -2.594 1.153 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.243 0.950 0.755 1.00 2.02 H new ATOM 0 HZ PHE A 51 13.908 -1.295 1.740 1.00 2.20 H new ATOM 778 N LEU A 52 8.603 -0.137 -4.661 1.00 0.40 N ATOM 779 CA LEU A 52 7.279 -0.492 -5.146 1.00 0.43 C ATOM 780 C LEU A 52 7.351 -1.714 -6.050 1.00 0.44 C ATOM 781 O LEU A 52 6.331 -2.304 -6.388 1.00 0.50 O ATOM 782 CB LEU A 52 6.642 0.676 -5.904 1.00 0.55 C ATOM 783 CG LEU A 52 6.200 1.856 -5.041 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.561 2.930 -5.905 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.233 1.395 -3.965 1.00 1.15 C ATOM 0 H LEU A 52 9.030 0.653 -5.145 1.00 0.40 H new ATOM 0 HA LEU A 52 6.658 -0.726 -4.281 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.355 1.037 -6.645 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.776 0.303 -6.450 1.00 0.55 H new ATOM 0 HG LEU A 52 7.079 2.279 -4.554 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.251 3.765 -5.277 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.282 3.280 -6.644 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.691 2.517 -6.415 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.928 2.249 -3.360 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.355 0.949 -4.432 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.721 0.655 -3.330 1.00 1.15 H new ATOM 797 N ALA A 53 8.562 -2.094 -6.447 1.00 0.48 N ATOM 798 CA ALA A 53 8.732 -3.261 -7.301 1.00 0.59 C ATOM 799 C ALA A 53 8.113 -4.484 -6.635 1.00 0.60 C ATOM 800 O ALA A 53 7.865 -5.504 -7.278 1.00 0.76 O ATOM 801 CB ALA A 53 10.204 -3.496 -7.602 1.00 0.67 C ATOM 0 H ALA A 53 9.428 -1.617 -6.195 1.00 0.48 H new ATOM 0 HA ALA A 53 8.222 -3.083 -8.248 1.00 0.59 H new ATOM 0 HB1 ALA A 53 10.309 -4.372 -8.241 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.615 -2.624 -8.111 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.744 -3.660 -6.670 1.00 0.67 H new ATOM 807 N LYS A 54 7.869 -4.357 -5.334 1.00 0.51 N ATOM 808 CA LYS A 54 7.262 -5.420 -4.548 1.00 0.55 C ATOM 809 C LYS A 54 6.043 -4.889 -3.795 1.00 0.48 C ATOM 810 O LYS A 54 5.439 -5.596 -2.987 1.00 0.57 O ATOM 811 CB LYS A 54 8.281 -5.991 -3.560 1.00 0.62 C ATOM 812 CG LYS A 54 9.543 -6.518 -4.227 1.00 0.76 C ATOM 813 CD LYS A 54 10.642 -6.797 -3.213 1.00 0.94 C ATOM 814 CE LYS A 54 11.201 -5.511 -2.622 1.00 1.21 C ATOM 815 NZ LYS A 54 11.715 -4.593 -3.676 1.00 1.84 N ATOM 0 H LYS A 54 8.087 -3.516 -4.799 1.00 0.51 H new ATOM 0 HA LYS A 54 6.940 -6.214 -5.222 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.554 -5.216 -2.844 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.814 -6.798 -2.994 1.00 0.62 H new ATOM 0 HG2 LYS A 54 9.311 -7.433 -4.773 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.898 -5.792 -4.958 1.00 0.76 H new ATOM 0 HD2 LYS A 54 10.249 -7.424 -2.413 1.00 0.94 H new ATOM 0 HD3 LYS A 54 11.445 -7.357 -3.692 1.00 0.94 H new ATOM 0 HE2 LYS A 54 10.423 -5.007 -2.049 1.00 1.21 H new ATOM 0 HE3 LYS A 54 12.005 -5.751 -1.926 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.321 -3.869 -3.240 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.268 -5.136 -4.370 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.915 -4.132 -4.155 1.00 1.84 H new ATOM 829 N MET A 55 5.689 -3.635 -4.073 1.00 0.38 N ATOM 830 CA MET A 55 4.554 -2.987 -3.423 1.00 0.34 C ATOM 831 C MET A 55 3.749 -2.140 -4.411 1.00 0.33 C ATOM 832 O MET A 55 2.991 -1.257 -4.006 1.00 0.35 O ATOM 833 CB MET A 55 5.059 -2.105 -2.279 1.00 0.33 C ATOM 834 CG MET A 55 5.368 -2.876 -1.005 1.00 0.42 C ATOM 835 SD MET A 55 3.876 -3.387 -0.134 1.00 1.95 S ATOM 836 CE MET A 55 3.175 -1.796 0.297 1.00 2.78 C ATOM 0 H MET A 55 6.176 -3.046 -4.748 1.00 0.38 H new ATOM 0 HA MET A 55 3.896 -3.764 -3.034 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.959 -1.582 -2.604 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.310 -1.344 -2.060 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.962 -3.756 -1.251 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.976 -2.256 -0.346 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.418 -1.929 1.069 1.00 2.78 H new ATOM 0 HE2 MET A 55 3.962 -1.141 0.670 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.718 -1.349 -0.586 1.00 2.78 H new ATOM 846 N ARG A 56 3.908 -2.415 -5.704 1.00 0.37 N ATOM 847 CA ARG A 56 3.195 -1.667 -6.741 1.00 0.42 C ATOM 848 C ARG A 56 1.902 -2.371 -7.139 1.00 0.41 C ATOM 849 O ARG A 56 0.916 -1.726 -7.495 1.00 0.43 O ATOM 850 CB ARG A 56 4.084 -1.484 -7.976 1.00 0.54 C ATOM 851 CG ARG A 56 4.253 -2.751 -8.804 1.00 1.09 C ATOM 852 CD ARG A 56 5.649 -2.850 -9.392 1.00 1.35 C ATOM 853 NE ARG A 56 5.710 -3.779 -10.518 1.00 1.81 N ATOM 854 CZ ARG A 56 6.779 -3.922 -11.298 1.00 2.37 C ATOM 855 NH1 ARG A 56 7.863 -3.188 -11.082 1.00 2.58 N ATOM 856 NH2 ARG A 56 6.764 -4.796 -12.296 1.00 3.05 N ATOM 0 H ARG A 56 4.522 -3.148 -6.059 1.00 0.37 H new ATOM 0 HA ARG A 56 2.944 -0.689 -6.330 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.658 -0.703 -8.606 1.00 0.54 H new ATOM 0 HB3 ARG A 56 5.066 -1.136 -7.657 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.057 -3.623 -8.180 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.517 -2.762 -9.608 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.974 -1.863 -9.720 1.00 1.35 H new ATOM 0 HD3 ARG A 56 6.345 -3.174 -8.618 1.00 1.35 H new ATOM 0 HE ARG A 56 4.888 -4.349 -10.717 1.00 1.81 H new ATOM 0 HH11 ARG A 56 7.878 -2.513 -10.317 1.00 2.58 H new ATOM 0 HH12 ARG A 56 8.681 -3.299 -11.681 1.00 2.58 H new ATOM 0 HH21 ARG A 56 5.932 -5.360 -12.467 1.00 3.05 H new ATOM 0 HH22 ARG A 56 7.585 -4.903 -12.892 1.00 3.05 H new ATOM 870 N GLY A 57 1.916 -3.698 -7.078 1.00 0.43 N ATOM 871 CA GLY A 57 0.746 -4.472 -7.445 1.00 0.45 C ATOM 872 C GLY A 57 -0.454 -4.183 -6.563 1.00 0.39 C ATOM 873 O GLY A 57 -1.591 -4.200 -7.030 1.00 0.48 O ATOM 0 H GLY A 57 2.719 -4.252 -6.780 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.487 -4.260 -8.482 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.986 -5.534 -7.387 1.00 0.45 H new ATOM 877 N ILE A 58 -0.200 -3.909 -5.288 1.00 0.41 N ATOM 878 CA ILE A 58 -1.269 -3.630 -4.339 1.00 0.39 C ATOM 879 C ILE A 58 -1.805 -2.214 -4.514 1.00 0.40 C ATOM 880 O ILE A 58 -3.014 -1.989 -4.455 1.00 0.47 O ATOM 881 CB ILE A 58 -0.792 -3.818 -2.888 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.120 -5.182 -2.724 1.00 0.53 C ATOM 883 CG2 ILE A 58 -1.961 -3.682 -1.924 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.391 -5.127 -2.788 1.00 0.71 C ATOM 0 H ILE A 58 0.738 -3.874 -4.889 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.069 -4.341 -4.543 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.063 -3.041 -2.657 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.419 -5.612 -1.768 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.484 -5.852 -3.503 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.607 -3.818 -0.902 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.404 -2.691 -2.026 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.711 -4.440 -2.152 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.797 -6.131 -2.664 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.700 -4.727 -3.754 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.766 -4.483 -1.992 1.00 0.71 H new ATOM 896 N LEU A 59 -0.902 -1.260 -4.727 1.00 0.44 N ATOM 897 CA LEU A 59 -1.298 0.132 -4.914 1.00 0.49 C ATOM 898 C LEU A 59 -2.169 0.267 -6.157 1.00 0.52 C ATOM 899 O LEU A 59 -3.192 0.949 -6.143 1.00 0.56 O ATOM 900 CB LEU A 59 -0.055 1.030 -5.023 1.00 0.58 C ATOM 901 CG LEU A 59 -0.316 2.544 -5.074 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.702 2.984 -6.479 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.392 2.948 -4.074 1.00 1.71 C ATOM 0 H LEU A 59 0.104 -1.425 -4.774 1.00 0.44 H new ATOM 0 HA LEU A 59 -1.878 0.453 -4.049 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.594 0.822 -4.172 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.495 0.746 -5.920 1.00 0.58 H new ATOM 0 HG LEU A 59 0.610 3.049 -4.800 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -0.881 4.059 -6.487 1.00 1.39 H new ATOM 0 HD12 LEU A 59 0.107 2.746 -7.170 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.608 2.463 -6.787 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.556 4.024 -4.131 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.320 2.426 -4.307 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.070 2.683 -3.067 1.00 1.71 H new ATOM 915 N LYS A 60 -1.750 -0.389 -7.232 1.00 0.59 N ATOM 916 CA LYS A 60 -2.487 -0.362 -8.488 1.00 0.68 C ATOM 917 C LYS A 60 -3.789 -1.149 -8.358 1.00 0.65 C ATOM 918 O LYS A 60 -4.714 -0.985 -9.152 1.00 0.74 O ATOM 919 CB LYS A 60 -1.613 -0.936 -9.612 1.00 0.80 C ATOM 920 CG LYS A 60 -2.381 -1.360 -10.854 1.00 0.92 C ATOM 921 CD LYS A 60 -2.796 -2.821 -10.777 1.00 1.07 C ATOM 922 CE LYS A 60 -1.600 -3.748 -10.926 1.00 1.10 C ATOM 923 NZ LYS A 60 -0.876 -3.517 -12.206 1.00 1.60 N ATOM 0 H LYS A 60 -0.898 -0.949 -7.258 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.740 0.670 -8.733 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -0.872 -0.189 -9.896 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.067 -1.797 -9.227 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.266 -0.734 -10.968 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.763 -1.202 -11.738 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.288 -3.011 -9.823 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -3.524 -3.035 -11.560 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -0.917 -3.597 -10.090 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -1.936 -4.784 -10.880 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.314 -4.359 -12.444 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.563 -3.333 -12.965 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.244 -2.697 -12.104 1.00 1.60 H new ATOM 937 N SER A 61 -3.847 -2.004 -7.345 1.00 0.55 N ATOM 938 CA SER A 61 -5.021 -2.834 -7.094 1.00 0.55 C ATOM 939 C SER A 61 -6.107 -2.075 -6.334 1.00 0.57 C ATOM 940 O SER A 61 -7.286 -2.150 -6.680 1.00 0.71 O ATOM 941 CB SER A 61 -4.617 -4.074 -6.297 1.00 0.51 C ATOM 942 OG SER A 61 -4.009 -5.044 -7.133 1.00 1.20 O ATOM 0 H SER A 61 -3.088 -2.142 -6.678 1.00 0.55 H new ATOM 0 HA SER A 61 -5.430 -3.125 -8.062 1.00 0.55 H new ATOM 0 HB2 SER A 61 -3.927 -3.790 -5.503 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.496 -4.503 -5.817 1.00 0.51 H new ATOM 0 HG SER A 61 -3.050 -5.090 -6.937 1.00 1.20 H new ATOM 948 N ILE A 62 -5.709 -1.352 -5.294 1.00 0.50 N ATOM 949 CA ILE A 62 -6.662 -0.607 -4.476 1.00 0.56 C ATOM 950 C ILE A 62 -7.010 0.757 -5.071 1.00 0.64 C ATOM 951 O ILE A 62 -8.177 1.146 -5.105 1.00 0.70 O ATOM 952 CB ILE A 62 -6.125 -0.400 -3.045 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.682 -1.736 -2.447 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.188 0.252 -2.171 1.00 0.65 C ATOM 955 CD1 ILE A 62 -4.966 -1.598 -1.119 1.00 0.79 C ATOM 0 H ILE A 62 -4.737 -1.265 -4.997 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.568 -1.212 -4.451 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.260 0.262 -3.088 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.556 -2.373 -2.314 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.024 -2.241 -3.154 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.795 0.392 -1.164 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.462 1.220 -2.592 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.069 -0.388 -2.131 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.681 -2.585 -0.755 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.072 -0.988 -1.249 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.629 -1.122 -0.396 1.00 0.79 H new ATOM 967 N ALA A 63 -5.998 1.483 -5.536 1.00 0.68 N ATOM 968 CA ALA A 63 -6.210 2.817 -6.093 1.00 0.79 C ATOM 969 C ALA A 63 -6.630 2.795 -7.563 1.00 0.84 C ATOM 970 O ALA A 63 -7.724 3.243 -7.909 1.00 0.90 O ATOM 971 CB ALA A 63 -4.951 3.655 -5.923 1.00 0.88 C ATOM 0 H ALA A 63 -5.026 1.173 -5.539 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.036 3.263 -5.539 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.116 4.648 -6.340 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.712 3.742 -4.863 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.122 3.176 -6.444 1.00 0.88 H new ATOM 977 N SER A 64 -5.761 2.274 -8.423 1.00 0.88 N ATOM 978 CA SER A 64 -6.030 2.235 -9.861 1.00 1.00 C ATOM 979 C SER A 64 -7.133 1.243 -10.231 1.00 0.96 C ATOM 980 O SER A 64 -7.983 1.543 -11.070 1.00 1.11 O ATOM 981 CB SER A 64 -4.752 1.893 -10.627 1.00 1.13 C ATOM 982 OG SER A 64 -3.745 2.864 -10.400 1.00 1.56 O ATOM 0 H SER A 64 -4.864 1.872 -8.152 1.00 0.88 H new ATOM 0 HA SER A 64 -6.380 3.228 -10.142 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.391 0.912 -10.319 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.969 1.832 -11.693 1.00 1.13 H new ATOM 0 HG SER A 64 -2.938 2.621 -10.900 1.00 1.56 H new ATOM 988 N ALA A 65 -7.120 0.068 -9.615 1.00 0.84 N ATOM 989 CA ALA A 65 -8.116 -0.955 -9.921 1.00 0.84 C ATOM 990 C ALA A 65 -9.353 -0.828 -9.039 1.00 0.75 C ATOM 991 O ALA A 65 -10.475 -1.029 -9.503 1.00 0.82 O ATOM 992 CB ALA A 65 -7.507 -2.342 -9.784 1.00 0.83 C ATOM 0 H ALA A 65 -6.438 -0.201 -8.906 1.00 0.84 H new ATOM 0 HA ALA A 65 -8.434 -0.805 -10.953 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.261 -3.095 -10.015 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -6.670 -2.442 -10.476 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.153 -2.485 -8.763 1.00 0.83 H new ATOM 998 N ASP A 66 -9.142 -0.489 -7.770 1.00 0.65 N ATOM 999 CA ASP A 66 -10.244 -0.343 -6.823 1.00 0.65 C ATOM 1000 C ASP A 66 -11.082 -1.619 -6.769 1.00 0.66 C ATOM 1001 O ASP A 66 -12.041 -1.776 -7.526 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.125 0.849 -7.206 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.213 1.117 -6.184 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -13.260 0.437 -6.240 1.00 1.53 O ATOM 1005 OD2 ASP A 66 -12.018 2.006 -5.329 1.00 1.08 O ATOM 0 H ASP A 66 -8.219 -0.310 -7.374 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.821 -0.164 -5.835 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.503 1.738 -7.312 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -11.582 0.662 -8.178 1.00 0.75 H new ATOM 1010 N MET A 67 -10.710 -2.529 -5.875 1.00 0.55 N ATOM 1011 CA MET A 67 -11.422 -3.794 -5.729 1.00 0.55 C ATOM 1012 C MET A 67 -12.386 -3.749 -4.549 1.00 0.65 C ATOM 1013 O MET A 67 -12.569 -2.706 -3.922 1.00 0.81 O ATOM 1014 CB MET A 67 -10.429 -4.942 -5.541 1.00 0.49 C ATOM 1015 CG MET A 67 -9.423 -5.082 -6.674 1.00 0.49 C ATOM 1016 SD MET A 67 -10.116 -5.875 -8.141 1.00 1.00 S ATOM 1017 CE MET A 67 -10.878 -4.483 -8.969 1.00 1.52 C ATOM 0 H MET A 67 -9.920 -2.414 -5.241 1.00 0.55 H new ATOM 0 HA MET A 67 -11.998 -3.961 -6.639 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.889 -4.792 -4.606 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.983 -5.876 -5.443 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.049 -4.094 -6.944 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.569 -5.662 -6.324 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.757 -4.590 -10.047 1.00 1.52 H new ATOM 0 HE2 MET A 67 -11.940 -4.451 -8.724 1.00 1.52 H new ATOM 0 HE3 MET A 67 -10.402 -3.559 -8.641 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.998 -4.891 -4.251 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.945 -4.989 -3.146 1.00 0.77 C ATOM 1029 C ASP A 68 -13.282 -5.589 -1.909 1.00 0.67 C ATOM 1030 O ASP A 68 -12.927 -4.870 -0.975 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.153 -5.832 -3.559 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.907 -5.228 -4.730 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -16.828 -4.420 -4.488 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -15.574 -5.563 -5.886 1.00 1.92 O ATOM 0 H ASP A 68 -12.855 -5.763 -4.761 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.282 -3.983 -2.897 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.819 -6.835 -3.824 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.828 -5.935 -2.710 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.116 -6.910 -1.910 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.495 -7.601 -0.786 1.00 0.83 C ATOM 1041 C PHE A 69 -12.152 -9.043 -1.149 1.00 0.99 C ATOM 1042 O PHE A 69 -11.131 -9.576 -0.715 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.424 -7.577 0.431 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.751 -8.242 0.192 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.772 -7.566 -0.458 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -14.975 -9.542 0.615 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -16.992 -8.175 -0.679 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -16.194 -10.155 0.396 1.00 2.52 C ATOM 1049 CZ PHE A 69 -17.204 -9.472 -0.251 1.00 3.05 C ATOM 0 H PHE A 69 -13.403 -7.521 -2.675 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.570 -7.079 -0.541 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.926 -8.069 1.267 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.594 -6.542 0.726 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.612 -6.553 -0.795 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -14.189 -10.082 1.121 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.780 -7.638 -1.186 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -16.356 -11.169 0.731 1.00 2.52 H new ATOM 0 HZ PHE A 69 -18.157 -9.950 -0.422 1.00 3.05 H new ATOM 1059 N ASN A 70 -13.009 -9.670 -1.950 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.798 -11.052 -2.368 1.00 0.89 C ATOM 1061 C ASN A 70 -11.840 -11.127 -3.552 1.00 0.83 C ATOM 1062 O ASN A 70 -11.334 -12.200 -3.885 1.00 1.09 O ATOM 1063 CB ASN A 70 -14.135 -11.701 -2.735 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.976 -13.137 -3.195 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.806 -13.404 -4.384 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -14.031 -14.070 -2.252 1.00 2.40 N ATOM 0 H ASN A 70 -13.857 -9.242 -2.323 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.352 -11.594 -1.534 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.799 -11.671 -1.871 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.612 -11.121 -3.525 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.931 -15.054 -2.502 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -14.174 -13.803 -1.278 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.592 -9.985 -4.183 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.697 -9.925 -5.332 1.00 0.68 C ATOM 1075 C GLN A 71 -9.243 -9.785 -4.890 1.00 0.58 C ATOM 1076 O GLN A 71 -8.340 -10.348 -5.509 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.080 -8.753 -6.239 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.557 -8.715 -6.594 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.039 -10.002 -7.233 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.993 -10.158 -8.452 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -13.506 -10.933 -6.408 1.00 1.90 N ATOM 0 H GLN A 71 -11.998 -9.088 -3.918 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.798 -10.858 -5.887 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.809 -7.819 -5.746 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.496 -8.809 -7.157 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.138 -8.522 -5.692 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.741 -7.885 -7.276 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -13.525 -10.760 -5.403 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -13.845 -11.820 -6.780 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.025 -9.032 -3.816 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.680 -8.814 -3.296 1.00 0.39 C ATOM 1092 C LEU A 72 -7.221 -9.984 -2.434 1.00 0.41 C ATOM 1093 O LEU A 72 -6.022 -10.220 -2.284 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.627 -7.522 -2.480 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.936 -6.245 -3.254 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -8.014 -5.069 -2.300 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.884 -5.999 -4.326 1.00 1.06 C ATOM 0 H LEU A 72 -9.762 -8.563 -3.289 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.007 -8.731 -4.149 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.333 -7.605 -1.654 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.633 -7.430 -2.042 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.900 -6.359 -3.749 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -8.235 -4.160 -2.860 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.803 -5.245 -1.569 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -7.060 -4.955 -1.785 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.123 -5.083 -4.867 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.904 -5.899 -3.858 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.870 -6.838 -5.022 1.00 1.06 H new ATOM 1109 N GLU A 73 -8.179 -10.706 -1.863 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.874 -11.854 -1.013 1.00 0.57 C ATOM 1111 C GLU A 73 -6.912 -12.817 -1.706 1.00 0.59 C ATOM 1112 O GLU A 73 -5.930 -13.263 -1.113 1.00 0.68 O ATOM 1113 CB GLU A 73 -9.160 -12.589 -0.631 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.933 -13.775 0.296 1.00 0.75 C ATOM 1115 CD GLU A 73 -8.330 -13.369 1.627 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -7.086 -13.305 1.720 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -9.102 -13.112 2.575 1.00 1.76 O ATOM 0 H GLU A 73 -9.175 -10.517 -1.973 1.00 0.49 H new ATOM 0 HA GLU A 73 -7.392 -11.480 -0.110 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.840 -11.887 -0.149 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.653 -12.937 -1.539 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -9.882 -14.281 0.471 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -8.274 -14.493 -0.193 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.201 -13.133 -2.966 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.362 -14.045 -3.737 1.00 0.70 C ATOM 1126 C ALA A 74 -5.125 -13.335 -4.280 1.00 0.57 C ATOM 1127 O ALA A 74 -4.146 -13.977 -4.661 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.162 -14.659 -4.876 1.00 0.89 C ATOM 0 H ALA A 74 -8.008 -12.771 -3.474 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.026 -14.839 -3.070 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.525 -15.337 -5.444 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.009 -15.212 -4.469 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.526 -13.869 -5.532 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.178 -12.008 -4.308 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.066 -11.204 -4.804 1.00 0.46 C ATOM 1136 C PHE A 75 -2.959 -11.096 -3.759 1.00 0.38 C ATOM 1137 O PHE A 75 -1.776 -11.033 -4.095 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.565 -9.811 -5.188 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.497 -8.927 -5.761 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.723 -8.129 -4.934 1.00 0.67 C ATOM 1141 CD2 PHE A 75 -3.265 -8.897 -7.127 1.00 0.76 C ATOM 1142 CE1 PHE A 75 -1.737 -7.318 -5.460 1.00 0.82 C ATOM 1143 CE2 PHE A 75 -2.281 -8.086 -7.658 1.00 0.88 C ATOM 1144 CZ PHE A 75 -1.516 -7.296 -6.823 1.00 0.91 C ATOM 0 H PHE A 75 -5.981 -11.465 -3.992 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.652 -11.695 -5.685 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.371 -9.911 -5.915 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.989 -9.330 -4.306 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -2.893 -8.141 -3.867 1.00 0.67 H new ATOM 0 HD2 PHE A 75 -3.860 -9.514 -7.784 1.00 0.76 H new ATOM 0 HE1 PHE A 75 -1.139 -6.701 -4.806 1.00 0.82 H new ATOM 0 HE2 PHE A 75 -2.110 -8.070 -8.724 1.00 0.88 H new ATOM 0 HZ PHE A 75 -0.746 -6.661 -7.235 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.356 -11.079 -2.494 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.416 -10.969 -1.386 1.00 0.36 C ATOM 1156 C LEU A 76 -1.596 -12.252 -1.245 1.00 0.40 C ATOM 1157 O LEU A 76 -0.522 -12.260 -0.646 1.00 0.60 O ATOM 1158 CB LEU A 76 -3.191 -10.668 -0.098 1.00 0.43 C ATOM 1159 CG LEU A 76 -2.435 -9.891 0.988 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -1.349 -10.743 1.624 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.843 -8.609 0.421 1.00 0.80 C ATOM 0 H LEU A 76 -4.333 -11.141 -2.207 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.719 -10.154 -1.581 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -4.086 -10.104 -0.362 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -3.525 -11.614 0.329 1.00 0.43 H new ATOM 0 HG LEU A 76 -3.152 -9.627 1.765 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.833 -10.163 2.389 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.799 -11.625 2.080 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.636 -11.053 0.860 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -1.312 -8.074 1.208 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -1.149 -8.853 -0.384 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.643 -7.980 0.032 1.00 0.80 H new ATOM 1173 N THR A 77 -2.108 -13.335 -1.808 1.00 0.41 N ATOM 1174 CA THR A 77 -1.427 -14.623 -1.746 1.00 0.49 C ATOM 1175 C THR A 77 -0.380 -14.726 -2.849 1.00 0.47 C ATOM 1176 O THR A 77 0.576 -15.494 -2.746 1.00 0.53 O ATOM 1177 CB THR A 77 -2.427 -15.788 -1.881 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.468 -15.654 -0.906 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.730 -17.127 -1.700 1.00 0.71 C ATOM 0 H THR A 77 -2.994 -13.350 -2.314 1.00 0.41 H new ATOM 0 HA THR A 77 -0.939 -14.691 -0.774 1.00 0.49 H new ATOM 0 HB THR A 77 -2.856 -15.753 -2.882 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.101 -16.397 -0.999 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.458 -17.932 -1.800 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.957 -17.240 -2.460 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.275 -17.170 -0.710 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.572 -13.940 -3.901 1.00 0.45 N ATOM 1188 CA ALA A 78 0.346 -13.930 -5.032 1.00 0.52 C ATOM 1189 C ALA A 78 1.633 -13.191 -4.692 1.00 0.53 C ATOM 1190 O ALA A 78 2.724 -13.617 -5.070 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.322 -13.290 -6.236 1.00 0.60 C ATOM 0 H ALA A 78 -1.359 -13.298 -3.994 1.00 0.45 H new ATOM 0 HA ALA A 78 0.604 -14.962 -5.269 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.371 -13.286 -7.077 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.213 -13.858 -6.502 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.604 -12.265 -5.994 1.00 0.60 H new ATOM 1197 N GLN A 79 1.499 -12.078 -3.979 1.00 0.47 N ATOM 1198 CA GLN A 79 2.645 -11.274 -3.589 1.00 0.53 C ATOM 1199 C GLN A 79 3.575 -12.047 -2.660 1.00 0.54 C ATOM 1200 O GLN A 79 4.717 -11.646 -2.437 1.00 1.06 O ATOM 1201 CB GLN A 79 2.162 -10.010 -2.894 1.00 0.56 C ATOM 1202 CG GLN A 79 1.287 -10.294 -1.688 1.00 0.96 C ATOM 1203 CD GLN A 79 1.230 -9.136 -0.714 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.027 -9.330 0.484 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.432 -7.927 -1.217 1.00 0.61 N ATOM 0 H GLN A 79 0.602 -11.713 -3.659 1.00 0.47 H new ATOM 0 HA GLN A 79 3.204 -11.016 -4.488 1.00 0.53 H new ATOM 0 HB2 GLN A 79 3.025 -9.423 -2.580 1.00 0.56 H new ATOM 0 HB3 GLN A 79 1.604 -9.401 -3.606 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.277 -10.528 -2.025 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.664 -11.177 -1.172 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.597 -7.812 -2.217 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.423 -7.112 -0.604 1.00 0.61 H new ATOM 1214 N THR A 80 3.081 -13.158 -2.124 1.00 0.63 N ATOM 1215 CA THR A 80 3.869 -13.973 -1.207 1.00 0.65 C ATOM 1216 C THR A 80 4.233 -15.316 -1.826 1.00 0.64 C ATOM 1217 O THR A 80 4.782 -16.190 -1.154 1.00 0.73 O ATOM 1218 CB THR A 80 3.110 -14.222 0.111 1.00 0.77 C ATOM 1219 OG1 THR A 80 1.817 -14.774 -0.161 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.958 -12.931 0.900 1.00 0.44 C ATOM 0 H THR A 80 2.143 -13.513 -2.308 1.00 0.63 H new ATOM 0 HA THR A 80 4.782 -13.416 -1.000 1.00 0.65 H new ATOM 0 HB THR A 80 3.687 -14.929 0.706 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.762 -15.029 -1.106 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.419 -13.132 1.826 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.944 -12.529 1.134 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.402 -12.205 0.307 1.00 0.44 H new ATOM 1228 N LYS A 81 3.930 -15.476 -3.110 1.00 0.68 N ATOM 1229 CA LYS A 81 4.225 -16.720 -3.810 1.00 0.71 C ATOM 1230 C LYS A 81 4.831 -16.452 -5.183 1.00 0.69 C ATOM 1231 O LYS A 81 5.022 -17.374 -5.977 1.00 0.81 O ATOM 1232 CB LYS A 81 2.956 -17.560 -3.949 1.00 0.76 C ATOM 1233 CG LYS A 81 2.452 -18.118 -2.627 1.00 1.54 C ATOM 1234 CD LYS A 81 1.210 -18.971 -2.818 1.00 1.55 C ATOM 1235 CE LYS A 81 0.765 -19.607 -1.511 1.00 2.12 C ATOM 1236 NZ LYS A 81 1.806 -20.517 -0.955 1.00 3.02 N ATOM 0 H LYS A 81 3.482 -14.762 -3.685 1.00 0.68 H new ATOM 0 HA LYS A 81 4.957 -17.273 -3.221 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.173 -16.950 -4.399 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.149 -18.386 -4.633 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.236 -18.715 -2.161 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.229 -17.297 -1.946 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.403 -18.357 -3.218 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.412 -19.750 -3.553 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.540 -18.826 -0.785 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.157 -20.166 -1.674 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 1.377 -21.141 -0.243 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 2.210 -21.092 -1.722 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 2.559 -19.953 -0.512 1.00 3.02 H new ATOM 1250 N LYS A 82 5.137 -15.187 -5.457 1.00 0.66 N ATOM 1251 CA LYS A 82 5.729 -14.808 -6.735 1.00 0.74 C ATOM 1252 C LYS A 82 7.250 -14.896 -6.673 1.00 0.78 C ATOM 1253 O LYS A 82 7.809 -15.513 -5.766 1.00 0.83 O ATOM 1254 CB LYS A 82 5.312 -13.387 -7.122 1.00 0.72 C ATOM 1255 CG LYS A 82 5.847 -12.315 -6.188 1.00 0.67 C ATOM 1256 CD LYS A 82 5.730 -10.929 -6.805 1.00 0.77 C ATOM 1257 CE LYS A 82 4.285 -10.468 -6.885 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.152 -9.195 -7.644 1.00 1.09 N ATOM 0 H LYS A 82 4.985 -14.410 -4.814 1.00 0.66 H new ATOM 0 HA LYS A 82 5.365 -15.504 -7.491 1.00 0.74 H new ATOM 0 HB2 LYS A 82 5.659 -13.180 -8.134 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.224 -13.330 -7.140 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.297 -12.343 -5.247 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.891 -12.523 -5.954 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.306 -10.218 -6.213 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.165 -10.938 -7.805 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.683 -11.241 -7.363 1.00 0.76 H new ATOM 0 HE3 LYS A 82 3.890 -10.334 -5.878 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.151 -8.913 -7.677 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 4.706 -8.451 -7.174 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 4.505 -9.330 -8.613 1.00 1.09 H new ATOM 1272 N GLN A 83 7.911 -14.279 -7.644 1.00 0.87 N ATOM 1273 CA GLN A 83 9.367 -14.280 -7.700 1.00 0.96 C ATOM 1274 C GLN A 83 9.919 -12.936 -7.239 1.00 0.80 C ATOM 1275 O GLN A 83 9.590 -11.894 -7.805 1.00 0.80 O ATOM 1276 CB GLN A 83 9.843 -14.573 -9.122 1.00 1.22 C ATOM 1277 CG GLN A 83 9.082 -15.702 -9.796 1.00 1.37 C ATOM 1278 CD GLN A 83 9.680 -16.090 -11.135 1.00 1.96 C ATOM 1279 OE1 GLN A 83 9.321 -15.535 -12.173 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.595 -17.052 -11.118 1.00 2.57 N ATOM 0 H GLN A 83 7.461 -13.770 -8.405 1.00 0.87 H new ATOM 0 HA GLN A 83 9.735 -15.060 -7.034 1.00 0.96 H new ATOM 0 HB2 GLN A 83 9.744 -13.669 -9.723 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.903 -14.824 -9.097 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.074 -16.572 -9.140 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.044 -15.401 -9.939 1.00 1.37 H new ATOM 0 HE21 GLN A 83 10.863 -17.485 -10.234 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.030 -17.358 -11.989 1.00 2.57 H new ATOM 1289 N GLY A 84 10.757 -12.966 -6.210 1.00 0.98 N ATOM 1290 CA GLY A 84 11.331 -11.740 -5.692 1.00 1.14 C ATOM 1291 C GLY A 84 10.282 -10.823 -5.097 1.00 1.22 C ATOM 1292 O GLY A 84 10.511 -9.625 -4.937 1.00 2.05 O ATOM 0 H GLY A 84 11.048 -13.815 -5.726 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.073 -11.982 -4.931 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.854 -11.219 -6.494 1.00 1.14 H new ATOM 1296 N GLY A 85 9.121 -11.392 -4.778 1.00 0.69 N ATOM 1297 CA GLY A 85 8.042 -10.618 -4.195 1.00 0.69 C ATOM 1298 C GLY A 85 8.375 -10.114 -2.807 1.00 0.66 C ATOM 1299 O GLY A 85 9.408 -9.477 -2.601 1.00 0.91 O ATOM 0 H GLY A 85 8.910 -12.381 -4.915 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.817 -9.770 -4.842 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.142 -11.232 -4.149 1.00 0.69 H new ATOM 1303 N ILE A 86 7.502 -10.402 -1.849 1.00 0.49 N ATOM 1304 CA ILE A 86 7.712 -9.966 -0.476 1.00 0.48 C ATOM 1305 C ILE A 86 7.742 -11.152 0.482 1.00 0.50 C ATOM 1306 O ILE A 86 7.480 -12.290 0.088 1.00 0.53 O ATOM 1307 CB ILE A 86 6.610 -8.987 -0.043 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.261 -9.707 0.014 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.555 -7.810 -1.009 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.127 -8.838 0.507 1.00 0.45 C ATOM 0 H ILE A 86 6.645 -10.934 -1.998 1.00 0.49 H new ATOM 0 HA ILE A 86 8.677 -9.461 -0.438 1.00 0.48 H new ATOM 0 HB ILE A 86 6.837 -8.607 0.953 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.016 -10.079 -0.981 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.351 -10.576 0.666 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.772 -7.119 -0.697 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.515 -7.294 -1.009 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.339 -8.174 -2.014 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.204 -9.417 0.520 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.349 -8.487 1.515 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.009 -7.982 -0.158 1.00 0.45 H new ATOM 1322 N THR A 87 8.062 -10.879 1.743 1.00 0.52 N ATOM 1323 CA THR A 87 8.124 -11.922 2.758 1.00 0.57 C ATOM 1324 C THR A 87 6.750 -12.179 3.368 1.00 0.51 C ATOM 1325 O THR A 87 5.749 -11.616 2.926 1.00 0.48 O ATOM 1326 CB THR A 87 9.113 -11.555 3.882 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.742 -10.303 4.469 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.533 -11.469 3.346 1.00 1.27 C ATOM 0 H THR A 87 8.282 -9.944 2.085 1.00 0.52 H new ATOM 0 HA THR A 87 8.472 -12.827 2.260 1.00 0.57 H new ATOM 0 HB THR A 87 9.075 -12.337 4.640 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.165 -10.216 5.349 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.213 -11.209 4.157 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.822 -12.432 2.925 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.584 -10.704 2.571 1.00 1.27 H new ATOM 1336 N SER A 88 6.710 -13.035 4.386 1.00 0.56 N ATOM 1337 CA SER A 88 5.459 -13.371 5.057 1.00 0.53 C ATOM 1338 C SER A 88 5.011 -12.242 5.981 1.00 0.48 C ATOM 1339 O SER A 88 3.823 -11.933 6.066 1.00 0.48 O ATOM 1340 CB SER A 88 5.616 -14.666 5.855 1.00 0.62 C ATOM 1341 OG SER A 88 5.974 -15.747 5.011 1.00 1.53 O ATOM 0 H SER A 88 7.531 -13.508 4.764 1.00 0.56 H new ATOM 0 HA SER A 88 4.695 -13.512 4.292 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.378 -14.533 6.623 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.682 -14.896 6.368 1.00 0.62 H new ATOM 0 HG SER A 88 6.070 -16.562 5.546 1.00 1.53 H new ATOM 1347 N ASP A 89 5.970 -11.631 6.671 1.00 0.51 N ATOM 1348 CA ASP A 89 5.672 -10.537 7.589 1.00 0.51 C ATOM 1349 C ASP A 89 5.078 -9.347 6.842 1.00 0.44 C ATOM 1350 O ASP A 89 4.284 -8.588 7.397 1.00 0.45 O ATOM 1351 CB ASP A 89 6.937 -10.109 8.336 1.00 0.59 C ATOM 1352 CG ASP A 89 8.059 -9.713 7.396 1.00 1.48 C ATOM 1353 OD1 ASP A 89 8.046 -8.563 6.908 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.950 -10.552 7.149 1.00 2.34 O ATOM 0 H ASP A 89 6.959 -11.875 6.612 1.00 0.51 H new ATOM 0 HA ASP A 89 4.937 -10.892 8.312 1.00 0.51 H new ATOM 0 HB2 ASP A 89 6.702 -9.270 8.991 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.273 -10.927 8.974 1.00 0.59 H new ATOM 1359 N GLN A 90 5.470 -9.191 5.582 1.00 0.44 N ATOM 1360 CA GLN A 90 4.972 -8.096 4.757 1.00 0.42 C ATOM 1361 C GLN A 90 3.503 -8.301 4.405 1.00 0.39 C ATOM 1362 O GLN A 90 2.785 -7.343 4.129 1.00 0.52 O ATOM 1363 CB GLN A 90 5.807 -7.973 3.478 1.00 0.49 C ATOM 1364 CG GLN A 90 7.088 -7.177 3.669 1.00 0.59 C ATOM 1365 CD GLN A 90 7.580 -6.542 2.383 1.00 0.75 C ATOM 1366 OE1 GLN A 90 6.788 -6.180 1.515 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.894 -6.403 2.256 1.00 0.91 N ATOM 0 H GLN A 90 6.131 -9.808 5.110 1.00 0.44 H new ATOM 0 HA GLN A 90 5.061 -7.173 5.330 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.058 -8.971 3.119 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.205 -7.498 2.704 1.00 0.49 H new ATOM 0 HG2 GLN A 90 6.919 -6.398 4.413 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.863 -7.833 4.065 1.00 0.59 H new ATOM 0 HE21 GLN A 90 9.515 -6.718 3.002 1.00 0.91 H new ATOM 0 HE22 GLN A 90 9.283 -5.982 1.413 1.00 0.91 H new ATOM 1376 N ALA A 91 3.062 -9.553 4.427 1.00 0.37 N ATOM 1377 CA ALA A 91 1.679 -9.882 4.101 1.00 0.37 C ATOM 1378 C ALA A 91 0.736 -9.566 5.257 1.00 0.34 C ATOM 1379 O ALA A 91 -0.453 -9.336 5.050 1.00 0.40 O ATOM 1380 CB ALA A 91 1.565 -11.348 3.717 1.00 0.45 C ATOM 0 H ALA A 91 3.642 -10.357 4.667 1.00 0.37 H new ATOM 0 HA ALA A 91 1.383 -9.264 3.254 1.00 0.37 H new ATOM 0 HB1 ALA A 91 0.528 -11.581 3.476 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.193 -11.547 2.849 1.00 0.45 H new ATOM 0 HB3 ALA A 91 1.892 -11.969 4.551 1.00 0.45 H new ATOM 1386 N ALA A 92 1.270 -9.555 6.473 1.00 0.31 N ATOM 1387 CA ALA A 92 0.466 -9.277 7.659 1.00 0.33 C ATOM 1388 C ALA A 92 -0.159 -7.887 7.607 1.00 0.28 C ATOM 1389 O ALA A 92 -1.304 -7.702 8.018 1.00 0.34 O ATOM 1390 CB ALA A 92 1.312 -9.424 8.913 1.00 0.40 C ATOM 0 H ALA A 92 2.256 -9.735 6.664 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.346 -10.004 7.684 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.701 -9.214 9.791 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.698 -10.442 8.974 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.145 -8.722 8.874 1.00 0.40 H new ATOM 1396 N VAL A 93 0.594 -6.914 7.107 1.00 0.26 N ATOM 1397 CA VAL A 93 0.108 -5.540 7.026 1.00 0.30 C ATOM 1398 C VAL A 93 -0.677 -5.275 5.737 1.00 0.28 C ATOM 1399 O VAL A 93 -1.735 -4.648 5.770 1.00 0.35 O ATOM 1400 CB VAL A 93 1.276 -4.530 7.158 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.281 -3.517 6.020 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.208 -3.822 8.502 1.00 0.55 C ATOM 0 H VAL A 93 1.541 -7.049 6.752 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.577 -5.401 7.862 1.00 0.30 H new ATOM 0 HB VAL A 93 2.208 -5.091 7.097 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.115 -2.828 6.150 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.387 -4.039 5.069 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.345 -2.959 6.026 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.034 -3.115 8.583 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.262 -3.286 8.584 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.279 -4.557 9.304 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.157 -5.751 4.608 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.812 -5.534 3.320 1.00 0.25 C ATOM 1414 C ILE A 94 -2.148 -6.268 3.230 1.00 0.25 C ATOM 1415 O ILE A 94 -3.077 -5.787 2.589 1.00 0.28 O ATOM 1416 CB ILE A 94 0.091 -5.965 2.147 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.492 -5.376 2.314 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.510 -5.517 0.823 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.509 -5.965 1.363 1.00 0.52 C ATOM 0 H ILE A 94 0.710 -6.286 4.558 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.999 -4.463 3.247 1.00 0.25 H new ATOM 0 HB ILE A 94 0.164 -7.053 2.147 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.445 -4.298 2.162 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.827 -5.539 3.338 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.139 -5.829 0.005 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.494 -5.970 0.698 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.607 -4.431 0.816 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.480 -5.502 1.537 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.584 -7.039 1.530 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.197 -5.779 0.335 1.00 0.52 H new ATOM 1431 N SER A 95 -2.241 -7.430 3.871 1.00 0.27 N ATOM 1432 CA SER A 95 -3.479 -8.213 3.858 1.00 0.34 C ATOM 1433 C SER A 95 -4.607 -7.457 4.552 1.00 0.39 C ATOM 1434 O SER A 95 -5.779 -7.810 4.428 1.00 0.47 O ATOM 1435 CB SER A 95 -3.270 -9.567 4.536 1.00 0.40 C ATOM 1436 OG SER A 95 -4.467 -10.327 4.537 1.00 0.49 O ATOM 0 H SER A 95 -1.480 -7.851 4.404 1.00 0.27 H new ATOM 0 HA SER A 95 -3.757 -8.379 2.817 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.485 -10.119 4.019 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.931 -9.416 5.561 1.00 0.40 H new ATOM 0 HG SER A 95 -5.235 -9.729 4.423 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.236 -6.427 5.300 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.199 -5.612 6.026 1.00 0.46 C ATOM 1444 C LYS A 96 -5.758 -4.500 5.142 1.00 0.45 C ATOM 1445 O LYS A 96 -6.542 -3.667 5.600 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.548 -5.028 7.279 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.857 -6.075 8.131 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.002 -5.446 9.217 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.854 -4.906 10.353 1.00 1.32 C ATOM 1450 NZ LYS A 96 -3.034 -4.196 11.374 1.00 2.12 N ATOM 0 H LYS A 96 -3.266 -6.135 5.420 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.032 -6.248 6.324 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.822 -4.270 6.985 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.309 -4.526 7.876 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.605 -6.723 8.588 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.233 -6.705 7.497 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.303 -6.186 9.605 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.407 -4.638 8.791 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.604 -4.224 9.952 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.391 -5.728 10.826 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.653 -3.843 12.132 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.335 -4.853 11.776 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.541 -3.396 10.928 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.329 -4.488 3.883 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.756 -3.480 2.909 1.00 0.40 C ATOM 1466 C PHE A 97 -7.258 -3.156 2.965 1.00 0.48 C ATOM 1467 O PHE A 97 -7.673 -2.111 2.462 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.361 -3.890 1.477 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.505 -5.360 1.143 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.308 -6.172 1.933 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.853 -5.931 0.059 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -6.457 -7.516 1.647 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -5.002 -7.275 -0.229 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.738 -8.058 0.494 1.00 0.53 C ATOM 0 H PHE A 97 -4.676 -5.175 3.506 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.229 -2.568 3.189 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.968 -3.317 0.776 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.324 -3.600 1.311 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.823 -5.748 2.782 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -4.222 -5.318 -0.567 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -7.086 -8.148 2.257 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -4.488 -7.686 -1.085 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.821 -9.106 0.247 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.079 -4.024 3.564 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.515 -3.739 3.652 1.00 0.63 C ATOM 1486 C TRP A 98 -10.150 -4.309 4.914 1.00 0.69 C ATOM 1487 O TRP A 98 -11.290 -3.975 5.239 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.280 -4.227 2.409 1.00 0.67 C ATOM 1489 CG TRP A 98 -10.005 -5.647 1.995 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.383 -6.049 0.848 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.366 -6.850 2.694 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -9.318 -7.419 0.798 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.913 -7.933 1.917 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -11.018 -7.118 3.900 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -10.092 -9.259 2.308 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.195 -8.433 4.286 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.733 -9.489 3.492 1.00 1.00 C ATOM 0 H TRP A 98 -7.786 -4.906 3.984 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.595 -2.653 3.700 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.349 -4.122 2.597 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.038 -3.570 1.574 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.997 -5.384 0.089 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.895 -7.965 0.048 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.378 -6.311 4.521 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.737 -10.075 1.697 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.699 -8.650 5.217 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.886 -10.506 3.822 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.428 -5.163 5.627 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.961 -5.750 6.850 1.00 0.91 C ATOM 1510 C LYS A 99 -10.169 -4.668 7.907 1.00 1.11 C ATOM 1511 O LYS A 99 -11.000 -4.811 8.803 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.033 -6.847 7.378 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.818 -6.321 8.125 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.712 -6.925 9.517 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.926 -6.583 10.367 1.00 1.51 C ATOM 1516 NZ LYS A 99 -8.895 -7.273 11.686 1.00 1.67 N ATOM 0 H LYS A 99 -8.484 -5.462 5.384 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.925 -6.205 6.622 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.600 -7.500 8.041 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -8.696 -7.458 6.541 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -6.915 -6.550 7.559 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.880 -5.235 8.202 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -7.615 -8.008 9.438 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -6.809 -6.559 10.006 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -8.968 -5.505 10.523 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -9.834 -6.863 9.832 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -9.740 -7.013 12.234 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -8.881 -8.302 11.539 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.042 -6.986 12.208 1.00 1.67 H new