USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 45 MET CE :methyl 149:sc= -0.323 (180deg=-1.03) USER MOD Set 1.2: A 60 MET CE :methyl -118:sc= -0.672 (180deg=-1.51) USER MOD Set 1.3: A 80 MET CE :methyl 172:sc= -1 (180deg=-1.17) USER MOD Set 2.1: A 69 SER OG : rot -90:sc= 0.536 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0164 X(o=0.016,f=-0.18) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 16 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 3:sc= 0.369 USER MOD Single : A 37 SER OG : rot 180:sc= -1.04 USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.279 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc=-0.00114 (180deg=-0.00114) USER MOD Single : A 47 MET CE :methyl -142:sc= -0.311 (180deg=-0.834) USER MOD Single : A 50 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.78) USER MOD Single : A 51 ASN : amide:sc= -0.0095 X(o=-0.0095,f=-0.35) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.728 USER MOD Single : A 58 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.38) USER MOD Single : A 81 MET CE :methyl 168:sc= -2.6 (180deg=-3.11) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.362 9.765 0.386 1.00 0.00 N ATOM 66 CA TYR A 5 -5.727 8.647 -0.490 1.00 0.00 C ATOM 67 C TYR A 5 -7.162 8.811 -0.994 1.00 0.00 C ATOM 68 O TYR A 5 -7.467 8.507 -2.148 1.00 0.00 O ATOM 69 CB TYR A 5 -5.611 7.312 0.257 1.00 0.00 C ATOM 70 CG TYR A 5 -4.163 7.050 0.609 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.326 6.397 -0.305 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.658 7.459 1.850 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.987 6.155 0.021 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.319 7.217 2.175 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.484 6.564 1.261 1.00 0.00 C ATOM 76 OH TYR A 5 -0.163 6.324 1.582 1.00 0.00 O ATOM 0 HA TYR A 5 -5.039 8.648 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.217 7.337 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.997 6.503 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.714 6.080 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.303 7.961 2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.342 5.653 -0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.930 7.534 3.131 1.00 0.00 H new ATOM 0 HH TYR A 5 0.024 6.672 2.479 1.00 0.00 H new ATOM 86 N LYS A 6 -8.034 9.302 -0.110 1.00 0.00 N ATOM 87 CA LYS A 6 -9.440 9.516 -0.462 1.00 0.00 C ATOM 88 C LYS A 6 -9.620 10.837 -1.216 1.00 0.00 C ATOM 89 O LYS A 6 -10.473 10.947 -2.096 1.00 0.00 O ATOM 90 CB LYS A 6 -10.314 9.538 0.797 1.00 0.00 C ATOM 91 CG LYS A 6 -11.681 8.921 0.488 1.00 0.00 C ATOM 92 CD LYS A 6 -11.593 7.395 0.590 1.00 0.00 C ATOM 93 CE LYS A 6 -11.659 6.973 2.062 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.413 5.692 2.183 1.00 0.00 N ATOM 0 H LYS A 6 -7.794 9.557 0.848 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.747 8.691 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.827 8.983 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.438 10.563 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.428 9.299 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.004 9.210 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.409 6.936 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.664 7.044 0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.652 6.853 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.145 7.750 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.456 5.408 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.378 5.821 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.931 4.952 1.633 1.00 0.00 H new ATOM 108 N ALA A 7 -8.809 11.838 -0.855 1.00 0.00 N ATOM 109 CA ALA A 7 -8.886 13.152 -1.496 1.00 0.00 C ATOM 110 C ALA A 7 -8.432 13.091 -2.958 1.00 0.00 C ATOM 111 O ALA A 7 -8.949 13.822 -3.802 1.00 0.00 O ATOM 112 CB ALA A 7 -8.008 14.161 -0.750 1.00 0.00 C ATOM 0 H ALA A 7 -8.098 11.763 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.929 13.467 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.076 15.133 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.350 14.248 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.973 13.821 -0.761 1.00 0.00 H new ATOM 118 N ALA A 8 -7.457 12.222 -3.249 1.00 0.00 N ATOM 119 CA ALA A 8 -6.940 12.091 -4.614 1.00 0.00 C ATOM 120 C ALA A 8 -7.876 11.255 -5.487 1.00 0.00 C ATOM 121 O ALA A 8 -8.146 11.612 -6.633 1.00 0.00 O ATOM 122 CB ALA A 8 -5.559 11.436 -4.602 1.00 0.00 C ATOM 0 H ALA A 8 -7.015 11.606 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.870 13.095 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.190 11.346 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.871 12.049 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.630 10.445 -4.154 1.00 0.00 H new ATOM 128 N VAL A 9 -8.362 10.138 -4.937 1.00 0.00 N ATOM 129 CA VAL A 9 -9.265 9.257 -5.686 1.00 0.00 C ATOM 130 C VAL A 9 -10.604 9.953 -5.982 1.00 0.00 C ATOM 131 O VAL A 9 -11.280 9.622 -6.959 1.00 0.00 O ATOM 132 CB VAL A 9 -9.515 7.952 -4.911 1.00 0.00 C ATOM 133 CG1 VAL A 9 -10.391 8.222 -3.683 1.00 0.00 C ATOM 134 CG2 VAL A 9 -10.216 6.940 -5.825 1.00 0.00 C ATOM 0 H VAL A 9 -8.150 9.825 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.783 9.021 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.557 7.549 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.560 7.290 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.889 8.934 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.348 8.635 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.393 6.015 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.168 7.351 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.586 6.733 -6.690 1.00 0.00 H new ATOM 144 N GLU A 10 -10.979 10.916 -5.135 1.00 0.00 N ATOM 145 CA GLU A 10 -12.235 11.643 -5.326 1.00 0.00 C ATOM 146 C GLU A 10 -12.085 12.779 -6.351 1.00 0.00 C ATOM 147 O GLU A 10 -13.084 13.277 -6.873 1.00 0.00 O ATOM 148 CB GLU A 10 -12.733 12.218 -3.992 1.00 0.00 C ATOM 149 CG GLU A 10 -11.834 13.377 -3.539 1.00 0.00 C ATOM 150 CD GLU A 10 -12.696 14.524 -3.023 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.261 15.232 -3.842 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.775 14.682 -1.815 1.00 0.00 O ATOM 0 H GLU A 10 -10.438 11.207 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.965 10.930 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.760 12.567 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.740 11.437 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.155 13.039 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.217 13.718 -4.370 1.00 0.00 H new ATOM 159 N GLN A 11 -10.838 13.195 -6.629 1.00 0.00 N ATOM 160 CA GLN A 11 -10.609 14.284 -7.587 1.00 0.00 C ATOM 161 C GLN A 11 -9.607 13.887 -8.685 1.00 0.00 C ATOM 162 O GLN A 11 -8.999 14.752 -9.322 1.00 0.00 O ATOM 163 CB GLN A 11 -10.099 15.537 -6.856 1.00 0.00 C ATOM 164 CG GLN A 11 -8.638 15.348 -6.426 1.00 0.00 C ATOM 165 CD GLN A 11 -8.216 16.497 -5.513 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.520 17.659 -5.785 1.00 0.00 O ATOM 167 NE2 GLN A 11 -7.522 16.242 -4.437 1.00 0.00 N ATOM 0 H GLN A 11 -9.993 12.803 -6.214 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.565 14.498 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.183 16.406 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.720 15.734 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.522 14.397 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.992 15.312 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.269 15.280 -4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.233 17.004 -3.824 1.00 0.00 H new ATOM 176 N LEU A 12 -9.445 12.580 -8.913 1.00 0.00 N ATOM 177 CA LEU A 12 -8.517 12.104 -9.948 1.00 0.00 C ATOM 178 C LEU A 12 -9.126 12.279 -11.340 1.00 0.00 C ATOM 179 O LEU A 12 -10.280 12.691 -11.484 1.00 0.00 O ATOM 180 CB LEU A 12 -8.150 10.624 -9.739 1.00 0.00 C ATOM 181 CG LEU A 12 -9.279 9.706 -9.249 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.515 9.862 -10.140 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.802 8.252 -9.295 1.00 0.00 C ATOM 0 H LEU A 12 -9.934 11.843 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.610 12.704 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.772 10.229 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.331 10.573 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.542 9.980 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.308 9.205 -9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.858 10.896 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.260 9.596 -11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.600 7.596 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.535 7.989 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.930 8.135 -8.651 1.00 0.00 H new ATOM 195 N THR A 13 -8.335 11.960 -12.367 1.00 0.00 N ATOM 196 CA THR A 13 -8.800 12.081 -13.749 1.00 0.00 C ATOM 197 C THR A 13 -9.027 10.703 -14.363 1.00 0.00 C ATOM 198 O THR A 13 -8.547 9.688 -13.850 1.00 0.00 O ATOM 199 CB THR A 13 -7.779 12.834 -14.617 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.487 12.752 -14.029 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.194 14.299 -14.748 1.00 0.00 C ATOM 0 H THR A 13 -7.379 11.619 -12.269 1.00 0.00 H new ATOM 0 HA THR A 13 -9.736 12.638 -13.724 1.00 0.00 H new ATOM 0 HB THR A 13 -7.749 12.378 -15.607 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.842 13.233 -14.589 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.468 14.829 -15.364 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.177 14.358 -15.214 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.233 14.756 -13.759 1.00 0.00 H new ATOM 209 N ASP A 14 -9.745 10.689 -15.486 1.00 0.00 N ATOM 210 CA ASP A 14 -10.017 9.441 -16.198 1.00 0.00 C ATOM 211 C ASP A 14 -8.729 8.918 -16.833 1.00 0.00 C ATOM 212 O ASP A 14 -8.525 7.709 -16.946 1.00 0.00 O ATOM 213 CB ASP A 14 -11.059 9.659 -17.296 1.00 0.00 C ATOM 214 CG ASP A 14 -12.460 9.580 -16.697 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.913 8.477 -16.439 1.00 0.00 O ATOM 216 OD2 ASP A 14 -13.062 10.625 -16.507 1.00 0.00 O ATOM 0 H ASP A 14 -10.146 11.521 -15.919 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.402 8.716 -15.481 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.908 10.631 -17.766 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.943 8.906 -18.076 1.00 0.00 H new ATOM 221 N GLU A 15 -7.859 9.853 -17.235 1.00 0.00 N ATOM 222 CA GLU A 15 -6.577 9.496 -17.848 1.00 0.00 C ATOM 223 C GLU A 15 -5.672 8.800 -16.828 1.00 0.00 C ATOM 224 O GLU A 15 -4.871 7.938 -17.189 1.00 0.00 O ATOM 225 CB GLU A 15 -5.863 10.746 -18.376 1.00 0.00 C ATOM 226 CG GLU A 15 -6.554 11.237 -19.653 1.00 0.00 C ATOM 227 CD GLU A 15 -7.645 12.244 -19.295 1.00 0.00 C ATOM 228 OE1 GLU A 15 -7.308 13.388 -19.037 1.00 0.00 O ATOM 229 OE2 GLU A 15 -8.803 11.856 -19.285 1.00 0.00 O ATOM 0 H GLU A 15 -8.020 10.856 -17.147 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.781 8.819 -18.678 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.876 11.531 -17.619 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.817 10.519 -18.582 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.824 11.699 -20.318 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.987 10.394 -20.191 1.00 0.00 H new ATOM 236 N GLN A 16 -5.816 9.179 -15.550 1.00 0.00 N ATOM 237 CA GLN A 16 -5.015 8.579 -14.480 1.00 0.00 C ATOM 238 C GLN A 16 -5.381 7.105 -14.313 1.00 0.00 C ATOM 239 O GLN A 16 -4.508 6.236 -14.286 1.00 0.00 O ATOM 240 CB GLN A 16 -5.263 9.304 -13.154 1.00 0.00 C ATOM 241 CG GLN A 16 -3.975 9.987 -12.689 1.00 0.00 C ATOM 242 CD GLN A 16 -4.292 10.962 -11.556 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.853 12.111 -11.578 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.038 10.569 -10.556 1.00 0.00 N ATOM 0 H GLN A 16 -6.474 9.892 -15.236 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.963 8.670 -14.752 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.054 10.044 -13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.603 8.595 -12.399 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.258 9.240 -12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.512 10.518 -13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.403 9.617 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.255 11.215 -9.797 1.00 0.00 H new ATOM 253 N LYS A 17 -6.686 6.839 -14.208 1.00 0.00 N ATOM 254 CA LYS A 17 -7.175 5.467 -14.054 1.00 0.00 C ATOM 255 C LYS A 17 -6.851 4.645 -15.303 1.00 0.00 C ATOM 256 O LYS A 17 -6.419 3.497 -15.209 1.00 0.00 O ATOM 257 CB LYS A 17 -8.691 5.455 -13.828 1.00 0.00 C ATOM 258 CG LYS A 17 -9.017 6.088 -12.469 1.00 0.00 C ATOM 259 CD LYS A 17 -10.315 6.894 -12.573 1.00 0.00 C ATOM 260 CE LYS A 17 -11.498 6.017 -12.155 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.764 6.800 -12.264 1.00 0.00 N ATOM 0 H LYS A 17 -7.417 7.550 -14.227 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.679 5.029 -13.188 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.191 6.005 -14.625 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.065 4.432 -13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.119 5.312 -11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.199 6.736 -12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.260 7.776 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.455 7.248 -13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.550 5.132 -12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.361 5.668 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.567 6.203 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.713 7.631 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.896 7.112 -13.247 1.00 0.00 H new ATOM 275 N ASN A 18 -7.058 5.258 -16.475 1.00 0.00 N ATOM 276 CA ASN A 18 -6.779 4.586 -17.748 1.00 0.00 C ATOM 277 C ASN A 18 -5.278 4.337 -17.921 1.00 0.00 C ATOM 278 O ASN A 18 -4.875 3.363 -18.558 1.00 0.00 O ATOM 279 CB ASN A 18 -7.285 5.426 -18.926 1.00 0.00 C ATOM 280 CG ASN A 18 -8.709 5.003 -19.280 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.920 4.252 -20.232 1.00 0.00 O ATOM 282 ND2 ASN A 18 -9.708 5.440 -18.561 1.00 0.00 N ATOM 0 H ASN A 18 -7.414 6.209 -16.567 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.301 3.629 -17.733 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.263 6.485 -18.667 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.631 5.294 -19.788 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.662 5.159 -18.789 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.534 6.062 -17.772 1.00 0.00 H new ATOM 289 N GLU A 19 -4.456 5.226 -17.344 1.00 0.00 N ATOM 290 CA GLU A 19 -2.997 5.091 -17.433 1.00 0.00 C ATOM 291 C GLU A 19 -2.558 3.726 -16.902 1.00 0.00 C ATOM 292 O GLU A 19 -1.788 3.014 -17.551 1.00 0.00 O ATOM 293 CB GLU A 19 -2.303 6.194 -16.623 1.00 0.00 C ATOM 294 CG GLU A 19 -0.788 6.122 -16.839 1.00 0.00 C ATOM 295 CD GLU A 19 -0.113 7.292 -16.127 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.070 7.204 -14.923 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.211 8.260 -16.796 1.00 0.00 O ATOM 0 H GLU A 19 -4.774 6.039 -16.816 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.712 5.183 -18.481 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.677 7.171 -16.928 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.534 6.080 -15.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.400 5.178 -16.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.561 6.152 -17.905 1.00 0.00 H new ATOM 304 N PHE A 20 -3.066 3.367 -15.720 1.00 0.00 N ATOM 305 CA PHE A 20 -2.731 2.082 -15.112 1.00 0.00 C ATOM 306 C PHE A 20 -3.510 0.956 -15.788 1.00 0.00 C ATOM 307 O PHE A 20 -2.943 -0.073 -16.140 1.00 0.00 O ATOM 308 CB PHE A 20 -3.071 2.086 -13.621 1.00 0.00 C ATOM 309 CG PHE A 20 -1.970 2.767 -12.843 1.00 0.00 C ATOM 310 CD1 PHE A 20 -2.008 4.150 -12.641 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.918 2.011 -12.315 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.995 4.779 -11.908 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.095 2.634 -11.585 1.00 0.00 C ATOM 314 CZ PHE A 20 0.058 4.020 -11.377 1.00 0.00 C ATOM 0 H PHE A 20 -3.704 3.943 -15.172 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.661 1.921 -15.241 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.017 2.602 -13.456 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.200 1.064 -13.266 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.819 4.733 -13.051 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.890 0.943 -12.473 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.024 5.847 -11.752 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.907 2.049 -11.180 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.839 4.503 -10.809 1.00 0.00 H new ATOM 324 N LYS A 21 -4.820 1.171 -15.962 1.00 0.00 N ATOM 325 CA LYS A 21 -5.690 0.171 -16.597 1.00 0.00 C ATOM 326 C LYS A 21 -5.100 -0.316 -17.927 1.00 0.00 C ATOM 327 O LYS A 21 -5.215 -1.493 -18.268 1.00 0.00 O ATOM 328 CB LYS A 21 -7.085 0.760 -16.839 1.00 0.00 C ATOM 329 CG LYS A 21 -8.023 -0.316 -17.398 1.00 0.00 C ATOM 330 CD LYS A 21 -8.212 -0.101 -18.903 1.00 0.00 C ATOM 331 CE LYS A 21 -9.497 -0.795 -19.365 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.645 0.151 -19.256 1.00 0.00 N ATOM 0 H LYS A 21 -5.300 2.024 -15.674 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.766 -0.681 -15.921 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.488 1.155 -15.907 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.020 1.594 -17.537 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.609 -1.307 -17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.987 -0.272 -16.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.263 0.965 -19.125 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.356 -0.499 -19.448 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.389 -1.134 -20.395 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.683 -1.680 -18.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.516 -0.322 -19.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.753 0.454 -18.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.468 0.983 -19.855 1.00 0.00 H new ATOM 346 N ALA A 22 -4.462 0.598 -18.667 1.00 0.00 N ATOM 347 CA ALA A 22 -3.846 0.248 -19.951 1.00 0.00 C ATOM 348 C ALA A 22 -2.764 -0.814 -19.748 1.00 0.00 C ATOM 349 O ALA A 22 -2.800 -1.881 -20.364 1.00 0.00 O ATOM 350 CB ALA A 22 -3.215 1.481 -20.599 1.00 0.00 C ATOM 0 H ALA A 22 -4.359 1.577 -18.401 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.627 -0.143 -20.603 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.763 1.201 -21.551 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.983 2.235 -20.770 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.448 1.887 -19.939 1.00 0.00 H new ATOM 356 N ALA A 23 -1.813 -0.507 -18.860 1.00 0.00 N ATOM 357 CA ALA A 23 -0.724 -1.435 -18.549 1.00 0.00 C ATOM 358 C ALA A 23 -1.284 -2.688 -17.878 1.00 0.00 C ATOM 359 O ALA A 23 -0.816 -3.801 -18.110 1.00 0.00 O ATOM 360 CB ALA A 23 0.288 -0.779 -17.604 1.00 0.00 C ATOM 0 H ALA A 23 -1.776 0.373 -18.346 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.227 -1.702 -19.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.090 -1.484 -17.384 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.705 0.110 -18.078 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.210 -0.496 -16.677 1.00 0.00 H new ATOM 366 N PHE A 24 -2.304 -2.482 -17.048 1.00 0.00 N ATOM 367 CA PHE A 24 -2.952 -3.579 -16.337 1.00 0.00 C ATOM 368 C PHE A 24 -3.526 -4.601 -17.321 1.00 0.00 C ATOM 369 O PHE A 24 -3.345 -5.803 -17.152 1.00 0.00 O ATOM 370 CB PHE A 24 -4.094 -3.033 -15.467 1.00 0.00 C ATOM 371 CG PHE A 24 -4.487 -4.044 -14.416 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.241 -5.169 -14.770 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.102 -3.853 -13.085 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.609 -6.098 -13.792 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.466 -4.782 -12.110 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.220 -5.903 -12.462 1.00 0.00 C ATOM 0 H PHE A 24 -2.700 -1.563 -16.852 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.204 -4.066 -15.712 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.783 -2.104 -14.989 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.955 -2.796 -16.093 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.538 -5.319 -15.797 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.522 -2.984 -12.811 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.193 -6.965 -14.063 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.165 -4.634 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.504 -6.621 -11.707 1.00 0.00 H new ATOM 386 N ASP A 25 -4.232 -4.101 -18.339 1.00 0.00 N ATOM 387 CA ASP A 25 -4.861 -4.972 -19.341 1.00 0.00 C ATOM 388 C ASP A 25 -3.839 -5.745 -20.181 1.00 0.00 C ATOM 389 O ASP A 25 -4.064 -6.908 -20.516 1.00 0.00 O ATOM 390 CB ASP A 25 -5.746 -4.148 -20.282 1.00 0.00 C ATOM 391 CG ASP A 25 -7.175 -4.117 -19.744 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.428 -3.350 -18.828 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.996 -4.861 -20.254 1.00 0.00 O ATOM 0 H ASP A 25 -4.383 -3.104 -18.492 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.459 -5.695 -18.786 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.357 -3.133 -20.368 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.732 -4.581 -21.282 1.00 0.00 H new ATOM 398 N ILE A 26 -2.731 -5.092 -20.538 1.00 0.00 N ATOM 399 CA ILE A 26 -1.702 -5.743 -21.366 1.00 0.00 C ATOM 400 C ILE A 26 -0.917 -6.793 -20.571 1.00 0.00 C ATOM 401 O ILE A 26 -0.546 -7.836 -21.113 1.00 0.00 O ATOM 402 CB ILE A 26 -0.726 -4.714 -21.960 1.00 0.00 C ATOM 403 CG1 ILE A 26 -0.085 -3.886 -20.839 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.486 -3.783 -22.910 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.041 -3.020 -21.408 1.00 0.00 C ATOM 0 H ILE A 26 -2.521 -4.129 -20.275 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.227 -6.243 -22.180 1.00 0.00 H new ATOM 0 HB ILE A 26 0.057 -5.240 -22.506 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.837 -3.255 -20.366 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.308 -4.547 -20.066 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.796 -3.052 -23.333 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.932 -4.369 -23.714 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.272 -3.265 -22.360 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.491 -2.435 -20.606 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.799 -3.660 -21.860 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.636 -2.347 -22.164 1.00 0.00 H new ATOM 417 N PHE A 27 -0.663 -6.514 -19.288 1.00 0.00 N ATOM 418 CA PHE A 27 0.086 -7.454 -18.445 1.00 0.00 C ATOM 419 C PHE A 27 -0.793 -8.636 -18.019 1.00 0.00 C ATOM 420 O PHE A 27 -0.310 -9.765 -17.911 1.00 0.00 O ATOM 421 CB PHE A 27 0.648 -6.753 -17.200 1.00 0.00 C ATOM 422 CG PHE A 27 1.667 -5.706 -17.615 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.602 -5.985 -18.625 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.669 -4.451 -16.996 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.529 -5.011 -19.013 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.600 -3.478 -17.384 1.00 0.00 C ATOM 427 CZ PHE A 27 3.527 -3.757 -18.392 1.00 0.00 C ATOM 0 H PHE A 27 -0.959 -5.660 -18.816 1.00 0.00 H new ATOM 0 HA PHE A 27 0.917 -7.832 -19.041 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.161 -6.284 -16.639 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.113 -7.484 -16.539 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.606 -6.953 -19.103 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.952 -4.232 -16.218 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.246 -5.227 -19.791 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.601 -2.511 -16.903 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.242 -3.005 -18.692 1.00 0.00 H new ATOM 437 N ILE A 28 -2.091 -8.377 -17.793 1.00 0.00 N ATOM 438 CA ILE A 28 -3.017 -9.452 -17.397 1.00 0.00 C ATOM 439 C ILE A 28 -3.742 -10.042 -18.619 1.00 0.00 C ATOM 440 O ILE A 28 -4.629 -10.886 -18.472 1.00 0.00 O ATOM 441 CB ILE A 28 -4.068 -8.950 -16.388 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.044 -7.980 -17.074 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.374 -8.238 -15.225 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.300 -8.734 -17.517 1.00 0.00 C ATOM 0 H ILE A 28 -2.517 -7.454 -17.875 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.412 -10.227 -16.926 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.625 -9.807 -16.009 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.314 -7.176 -16.389 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.564 -7.516 -17.936 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.123 -7.886 -14.515 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.698 -8.932 -14.725 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.806 -7.389 -15.605 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.988 -8.042 -18.002 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.023 -9.522 -18.218 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.785 -9.177 -16.647 1.00 0.00 H new ATOM 456 N GLN A 29 -3.357 -9.592 -19.824 1.00 0.00 N ATOM 457 CA GLN A 29 -3.973 -10.077 -21.066 1.00 0.00 C ATOM 458 C GLN A 29 -3.994 -11.608 -21.114 1.00 0.00 C ATOM 459 O GLN A 29 -4.973 -12.214 -21.553 1.00 0.00 O ATOM 460 CB GLN A 29 -3.197 -9.544 -22.277 1.00 0.00 C ATOM 461 CG GLN A 29 -3.786 -10.114 -23.570 1.00 0.00 C ATOM 462 CD GLN A 29 -3.158 -9.411 -24.770 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.323 -9.986 -25.467 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.515 -8.187 -25.057 1.00 0.00 N ATOM 0 H GLN A 29 -2.625 -8.896 -19.963 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.001 -9.714 -21.094 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.241 -8.455 -22.297 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.145 -9.819 -22.195 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.599 -11.187 -23.625 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.867 -9.978 -23.580 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.207 -7.709 -24.480 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.101 -7.710 -25.858 1.00 0.00 H new ATOM 473 N ASP A 30 -2.901 -12.223 -20.656 1.00 0.00 N ATOM 474 CA ASP A 30 -2.794 -13.686 -20.648 1.00 0.00 C ATOM 475 C ASP A 30 -2.929 -14.249 -19.224 1.00 0.00 C ATOM 476 O ASP A 30 -2.409 -15.325 -18.917 1.00 0.00 O ATOM 477 CB ASP A 30 -1.448 -14.126 -21.249 1.00 0.00 C ATOM 478 CG ASP A 30 -0.290 -13.475 -20.488 1.00 0.00 C ATOM 479 OD1 ASP A 30 0.049 -12.348 -20.814 1.00 0.00 O ATOM 480 OD2 ASP A 30 0.240 -14.114 -19.593 1.00 0.00 O ATOM 0 H ASP A 30 -2.083 -11.737 -20.288 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.610 -14.080 -21.254 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.358 -15.211 -21.203 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.403 -13.847 -22.302 1.00 0.00 H new ATOM 485 N ALA A 31 -3.642 -13.516 -18.359 1.00 0.00 N ATOM 486 CA ALA A 31 -3.844 -13.953 -16.977 1.00 0.00 C ATOM 487 C ALA A 31 -5.217 -14.598 -16.810 1.00 0.00 C ATOM 488 O ALA A 31 -6.174 -14.250 -17.506 1.00 0.00 O ATOM 489 CB ALA A 31 -3.736 -12.767 -16.017 1.00 0.00 C ATOM 0 H ALA A 31 -4.084 -12.626 -18.591 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.069 -14.683 -16.744 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.889 -13.112 -14.994 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.747 -12.317 -16.104 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.495 -12.026 -16.268 1.00 0.00 H new ATOM 495 N GLU A 32 -5.300 -15.537 -15.867 1.00 0.00 N ATOM 496 CA GLU A 32 -6.560 -16.232 -15.590 1.00 0.00 C ATOM 497 C GLU A 32 -7.082 -15.846 -14.202 1.00 0.00 C ATOM 498 O GLU A 32 -7.512 -16.698 -13.419 1.00 0.00 O ATOM 499 CB GLU A 32 -6.365 -17.755 -15.661 1.00 0.00 C ATOM 500 CG GLU A 32 -5.897 -18.158 -17.065 1.00 0.00 C ATOM 501 CD GLU A 32 -7.044 -17.987 -18.061 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.803 -18.928 -18.228 1.00 0.00 O ATOM 503 OE2 GLU A 32 -7.143 -16.920 -18.644 1.00 0.00 O ATOM 0 H GLU A 32 -4.516 -15.833 -15.285 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.287 -15.934 -16.345 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.631 -18.071 -14.919 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.300 -18.261 -15.421 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.048 -17.545 -17.365 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.557 -19.194 -17.062 1.00 0.00 H new ATOM 510 N ASP A 33 -7.037 -14.542 -13.911 1.00 0.00 N ATOM 511 CA ASP A 33 -7.502 -14.030 -12.619 1.00 0.00 C ATOM 512 C ASP A 33 -7.936 -12.566 -12.741 1.00 0.00 C ATOM 513 O ASP A 33 -9.035 -12.198 -12.323 1.00 0.00 O ATOM 514 CB ASP A 33 -6.387 -14.136 -11.570 1.00 0.00 C ATOM 515 CG ASP A 33 -6.950 -13.824 -10.184 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.505 -14.724 -9.575 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.817 -12.690 -9.754 1.00 0.00 O ATOM 0 H ASP A 33 -6.686 -13.827 -14.548 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.355 -14.633 -12.308 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.958 -15.138 -11.581 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.582 -13.442 -11.810 1.00 0.00 H new ATOM 522 N GLY A 34 -7.055 -11.741 -13.314 1.00 0.00 N ATOM 523 CA GLY A 34 -7.342 -10.315 -13.487 1.00 0.00 C ATOM 524 C GLY A 34 -6.449 -9.461 -12.584 1.00 0.00 C ATOM 525 O GLY A 34 -6.902 -8.473 -12.006 1.00 0.00 O ATOM 0 H GLY A 34 -6.143 -12.034 -13.664 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.187 -10.033 -14.529 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.390 -10.121 -13.257 1.00 0.00 H new ATOM 529 N CYS A 35 -5.176 -9.859 -12.477 1.00 0.00 N ATOM 530 CA CYS A 35 -4.206 -9.136 -11.649 1.00 0.00 C ATOM 531 C CYS A 35 -2.811 -9.263 -12.258 1.00 0.00 C ATOM 532 O CYS A 35 -2.470 -10.300 -12.835 1.00 0.00 O ATOM 533 CB CYS A 35 -4.177 -9.704 -10.226 1.00 0.00 C ATOM 534 SG CYS A 35 -5.776 -9.432 -9.422 1.00 0.00 S ATOM 0 H CYS A 35 -4.795 -10.677 -12.953 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.505 -8.089 -11.610 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.951 -10.770 -10.255 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.385 -9.226 -9.650 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.594 -8.872 -10.262 1.00 0.00 H new ATOM 540 N ILE A 36 -2.001 -8.208 -12.128 1.00 0.00 N ATOM 541 CA ILE A 36 -0.641 -8.242 -12.680 1.00 0.00 C ATOM 542 C ILE A 36 0.292 -9.008 -11.737 1.00 0.00 C ATOM 543 O ILE A 36 -0.067 -9.305 -10.596 1.00 0.00 O ATOM 544 CB ILE A 36 -0.085 -6.822 -12.938 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.443 -6.200 -11.637 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.183 -5.923 -13.519 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.975 -6.219 -11.652 1.00 0.00 C ATOM 0 H ILE A 36 -2.253 -7.339 -11.657 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.690 -8.756 -13.640 1.00 0.00 H new ATOM 0 HB ILE A 36 0.736 -6.904 -13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.082 -5.177 -11.537 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.069 -6.756 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.781 -4.926 -13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.538 -6.344 -14.460 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.012 -5.859 -12.814 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.353 -5.778 -10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.325 -7.248 -11.733 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.338 -5.644 -12.504 1.00 0.00 H new ATOM 559 N SER A 37 1.489 -9.329 -12.229 1.00 0.00 N ATOM 560 CA SER A 37 2.464 -10.065 -11.425 1.00 0.00 C ATOM 561 C SER A 37 3.328 -9.095 -10.619 1.00 0.00 C ATOM 562 O SER A 37 4.173 -8.390 -11.175 1.00 0.00 O ATOM 563 CB SER A 37 3.360 -10.922 -12.325 1.00 0.00 C ATOM 564 OG SER A 37 4.229 -11.706 -11.518 1.00 0.00 O ATOM 0 H SER A 37 1.804 -9.094 -13.170 1.00 0.00 H new ATOM 0 HA SER A 37 1.921 -10.715 -10.739 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.749 -11.568 -12.955 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.941 -10.284 -12.991 1.00 0.00 H new ATOM 0 HG SER A 37 4.802 -12.256 -12.093 1.00 0.00 H new ATOM 570 N THR A 38 3.093 -9.064 -9.302 1.00 0.00 N ATOM 571 CA THR A 38 3.842 -8.173 -8.403 1.00 0.00 C ATOM 572 C THR A 38 5.351 -8.326 -8.612 1.00 0.00 C ATOM 573 O THR A 38 6.062 -7.341 -8.813 1.00 0.00 O ATOM 574 CB THR A 38 3.515 -8.470 -6.932 1.00 0.00 C ATOM 575 OG1 THR A 38 3.767 -9.841 -6.652 1.00 0.00 O ATOM 576 CG2 THR A 38 2.044 -8.152 -6.652 1.00 0.00 C ATOM 0 H THR A 38 2.394 -9.642 -8.835 1.00 0.00 H new ATOM 0 HA THR A 38 3.543 -7.152 -8.641 1.00 0.00 H new ATOM 0 HB THR A 38 4.144 -7.849 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.029 -9.940 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.818 -8.365 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.854 -7.098 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.411 -8.766 -7.292 1.00 0.00 H new ATOM 584 N LYS A 39 5.827 -9.573 -8.567 1.00 0.00 N ATOM 585 CA LYS A 39 7.257 -9.850 -8.755 1.00 0.00 C ATOM 586 C LYS A 39 7.753 -9.327 -10.109 1.00 0.00 C ATOM 587 O LYS A 39 8.933 -9.001 -10.258 1.00 0.00 O ATOM 588 CB LYS A 39 7.540 -11.358 -8.664 1.00 0.00 C ATOM 589 CG LYS A 39 6.757 -12.107 -9.749 1.00 0.00 C ATOM 590 CD LYS A 39 6.183 -13.404 -9.175 1.00 0.00 C ATOM 591 CE LYS A 39 4.957 -13.089 -8.311 1.00 0.00 C ATOM 592 NZ LYS A 39 4.259 -14.357 -7.954 1.00 0.00 N ATOM 0 H LYS A 39 5.252 -10.400 -8.404 1.00 0.00 H new ATOM 0 HA LYS A 39 7.791 -9.333 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.608 -11.543 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.258 -11.730 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.951 -11.478 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.410 -12.330 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.906 -14.080 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.939 -13.915 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.262 -12.563 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.279 -12.428 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.427 -14.142 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.955 -14.842 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.907 -14.972 -7.423 1.00 0.00 H new ATOM 606 N GLU A 40 6.844 -9.244 -11.091 1.00 0.00 N ATOM 607 CA GLU A 40 7.210 -8.754 -12.420 1.00 0.00 C ATOM 608 C GLU A 40 6.730 -7.312 -12.630 1.00 0.00 C ATOM 609 O GLU A 40 6.510 -6.883 -13.762 1.00 0.00 O ATOM 610 CB GLU A 40 6.602 -9.648 -13.509 1.00 0.00 C ATOM 611 CG GLU A 40 7.178 -11.064 -13.399 1.00 0.00 C ATOM 612 CD GLU A 40 8.568 -11.105 -14.030 1.00 0.00 C ATOM 613 OE1 GLU A 40 8.649 -11.367 -15.218 1.00 0.00 O ATOM 614 OE2 GLU A 40 9.530 -10.875 -13.313 1.00 0.00 O ATOM 0 H GLU A 40 5.864 -9.507 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 40 8.297 -8.779 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.517 -9.678 -13.405 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.816 -9.234 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.234 -11.364 -12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.520 -11.775 -13.899 1.00 0.00 H new ATOM 621 N LEU A 41 6.584 -6.557 -11.529 1.00 0.00 N ATOM 622 CA LEU A 41 6.145 -5.159 -11.615 1.00 0.00 C ATOM 623 C LEU A 41 7.157 -4.306 -12.396 1.00 0.00 C ATOM 624 O LEU A 41 6.837 -3.197 -12.818 1.00 0.00 O ATOM 625 CB LEU A 41 5.952 -4.562 -10.214 1.00 0.00 C ATOM 626 CG LEU A 41 5.441 -3.113 -10.174 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.036 -3.034 -10.785 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.391 -2.632 -8.722 1.00 0.00 C ATOM 0 H LEU A 41 6.762 -6.888 -10.581 1.00 0.00 H new ATOM 0 HA LEU A 41 5.193 -5.149 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.252 -5.191 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.904 -4.607 -9.685 1.00 0.00 H new ATOM 0 HG LEU A 41 6.117 -2.480 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.682 -2.003 -10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.070 -3.373 -11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.356 -3.669 -10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.029 -1.604 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.718 -3.271 -8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.390 -2.678 -8.289 1.00 0.00 H new ATOM 640 N GLY A 42 8.378 -4.835 -12.595 1.00 0.00 N ATOM 641 CA GLY A 42 9.414 -4.111 -13.340 1.00 0.00 C ATOM 642 C GLY A 42 8.911 -3.703 -14.728 1.00 0.00 C ATOM 643 O GLY A 42 9.222 -2.614 -15.211 1.00 0.00 O ATOM 0 H GLY A 42 8.666 -5.752 -12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.714 -3.223 -12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.300 -4.738 -13.441 1.00 0.00 H new ATOM 647 N LYS A 43 8.117 -4.582 -15.357 1.00 0.00 N ATOM 648 CA LYS A 43 7.560 -4.293 -16.686 1.00 0.00 C ATOM 649 C LYS A 43 6.636 -3.070 -16.632 1.00 0.00 C ATOM 650 O LYS A 43 6.431 -2.388 -17.637 1.00 0.00 O ATOM 651 CB LYS A 43 6.765 -5.499 -17.219 1.00 0.00 C ATOM 652 CG LYS A 43 5.529 -5.744 -16.345 1.00 0.00 C ATOM 653 CD LYS A 43 5.099 -7.209 -16.459 1.00 0.00 C ATOM 654 CE LYS A 43 3.916 -7.468 -15.522 1.00 0.00 C ATOM 655 NZ LYS A 43 3.349 -8.821 -15.789 1.00 0.00 N ATOM 0 H LYS A 43 7.849 -5.488 -14.973 1.00 0.00 H new ATOM 0 HA LYS A 43 8.395 -4.087 -17.356 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.461 -5.317 -18.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.397 -6.387 -17.225 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.752 -5.500 -15.306 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.715 -5.090 -16.658 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.819 -7.438 -17.487 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.931 -7.864 -16.202 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.240 -7.398 -14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.150 -6.707 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.546 -8.993 -15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.024 -8.873 -16.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.081 -9.542 -15.627 1.00 0.00 H new ATOM 669 N VAL A 44 6.085 -2.807 -15.443 1.00 0.00 N ATOM 670 CA VAL A 44 5.183 -1.675 -15.246 1.00 0.00 C ATOM 671 C VAL A 44 5.955 -0.452 -14.762 1.00 0.00 C ATOM 672 O VAL A 44 5.905 0.607 -15.380 1.00 0.00 O ATOM 673 CB VAL A 44 4.102 -1.996 -14.206 1.00 0.00 C ATOM 674 CG1 VAL A 44 2.904 -1.080 -14.442 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.658 -3.462 -14.315 1.00 0.00 C ATOM 0 H VAL A 44 6.250 -3.364 -14.605 1.00 0.00 H new ATOM 0 HA VAL A 44 4.714 -1.471 -16.209 1.00 0.00 H new ATOM 0 HB VAL A 44 4.510 -1.836 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.128 -1.299 -13.708 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.216 -0.040 -14.341 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.511 -1.246 -15.445 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.891 -3.666 -13.568 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.253 -3.647 -15.310 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.514 -4.115 -14.144 1.00 0.00 H new ATOM 685 N MET A 45 6.653 -0.616 -13.632 1.00 0.00 N ATOM 686 CA MET A 45 7.430 0.477 -13.038 1.00 0.00 C ATOM 687 C MET A 45 8.319 1.157 -14.079 1.00 0.00 C ATOM 688 O MET A 45 8.325 2.381 -14.186 1.00 0.00 O ATOM 689 CB MET A 45 8.314 -0.043 -11.897 1.00 0.00 C ATOM 690 CG MET A 45 7.475 -0.203 -10.625 1.00 0.00 C ATOM 691 SD MET A 45 7.476 1.354 -9.699 1.00 0.00 S ATOM 692 CE MET A 45 5.775 1.848 -10.074 1.00 0.00 C ATOM 0 H MET A 45 6.695 -1.493 -13.112 1.00 0.00 H new ATOM 0 HA MET A 45 6.716 1.203 -12.649 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.757 -0.999 -12.174 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.137 0.649 -11.717 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.454 -0.484 -10.883 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.880 -1.005 -10.008 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.371 2.423 -9.241 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.764 2.459 -10.976 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.164 0.959 -10.231 1.00 0.00 H new ATOM 702 N ARG A 46 9.063 0.352 -14.844 1.00 0.00 N ATOM 703 CA ARG A 46 9.953 0.900 -15.878 1.00 0.00 C ATOM 704 C ARG A 46 9.154 1.671 -16.930 1.00 0.00 C ATOM 705 O ARG A 46 9.627 2.671 -17.473 1.00 0.00 O ATOM 706 CB ARG A 46 10.747 -0.219 -16.558 1.00 0.00 C ATOM 707 CG ARG A 46 11.709 -0.843 -15.543 1.00 0.00 C ATOM 708 CD ARG A 46 12.792 -1.636 -16.278 1.00 0.00 C ATOM 709 NE ARG A 46 12.369 -3.022 -16.495 1.00 0.00 N ATOM 710 CZ ARG A 46 13.094 -3.870 -17.239 1.00 0.00 C ATOM 711 NH1 ARG A 46 14.216 -3.480 -17.800 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.679 -5.101 -17.406 1.00 0.00 N ATOM 0 H ARG A 46 9.069 -0.665 -14.771 1.00 0.00 H new ATOM 0 HA ARG A 46 10.648 1.583 -15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.068 -0.978 -16.948 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.303 0.178 -17.407 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.166 -0.063 -14.934 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.162 -1.498 -14.865 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.007 -1.163 -17.236 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.716 -1.620 -15.700 1.00 0.00 H new ATOM 0 HE ARG A 46 11.502 -3.350 -16.070 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.544 -2.523 -17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.759 -4.134 -18.364 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.809 -5.409 -16.971 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.226 -5.751 -17.971 1.00 0.00 H new ATOM 726 N MET A 47 7.928 1.208 -17.194 1.00 0.00 N ATOM 727 CA MET A 47 7.054 1.872 -18.166 1.00 0.00 C ATOM 728 C MET A 47 6.468 3.157 -17.568 1.00 0.00 C ATOM 729 O MET A 47 6.247 4.139 -18.278 1.00 0.00 O ATOM 730 CB MET A 47 5.902 0.947 -18.580 1.00 0.00 C ATOM 731 CG MET A 47 6.396 -0.062 -19.621 1.00 0.00 C ATOM 732 SD MET A 47 6.637 0.775 -21.209 1.00 0.00 S ATOM 733 CE MET A 47 8.444 0.681 -21.245 1.00 0.00 C ATOM 0 H MET A 47 7.521 0.383 -16.753 1.00 0.00 H new ATOM 0 HA MET A 47 7.655 2.116 -19.042 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.513 0.422 -17.707 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.081 1.535 -18.991 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.332 -0.513 -19.290 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.673 -0.871 -19.730 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.848 1.601 -21.667 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.822 0.550 -20.231 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.752 -0.165 -21.859 1.00 0.00 H new ATOM 743 N LEU A 48 6.228 3.133 -16.251 1.00 0.00 N ATOM 744 CA LEU A 48 5.674 4.292 -15.544 1.00 0.00 C ATOM 745 C LEU A 48 6.732 5.389 -15.390 1.00 0.00 C ATOM 746 O LEU A 48 6.409 6.579 -15.355 1.00 0.00 O ATOM 747 CB LEU A 48 5.175 3.874 -14.154 1.00 0.00 C ATOM 748 CG LEU A 48 3.688 3.487 -14.073 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.304 2.635 -15.287 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.436 2.681 -12.795 1.00 0.00 C ATOM 0 H LEU A 48 6.409 2.325 -15.655 1.00 0.00 H new ATOM 0 HA LEU A 48 4.841 4.680 -16.131 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.772 3.028 -13.812 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.357 4.694 -13.460 1.00 0.00 H new ATOM 0 HG LEU A 48 3.085 4.395 -14.061 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.250 2.365 -15.223 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.478 3.204 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.911 1.729 -15.302 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.382 2.408 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.045 1.777 -12.809 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.701 3.284 -11.926 1.00 0.00 H new ATOM 762 N GLY A 49 7.999 4.971 -15.307 1.00 0.00 N ATOM 763 CA GLY A 49 9.113 5.916 -15.167 1.00 0.00 C ATOM 764 C GLY A 49 9.968 5.619 -13.928 1.00 0.00 C ATOM 765 O GLY A 49 10.582 6.526 -13.362 1.00 0.00 O ATOM 0 H GLY A 49 8.279 3.990 -15.334 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.739 5.873 -16.058 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.721 6.931 -15.102 1.00 0.00 H new ATOM 769 N GLN A 50 10.008 4.346 -13.516 1.00 0.00 N ATOM 770 CA GLN A 50 10.796 3.941 -12.345 1.00 0.00 C ATOM 771 C GLN A 50 11.599 2.682 -12.662 1.00 0.00 C ATOM 772 O GLN A 50 11.079 1.730 -13.243 1.00 0.00 O ATOM 773 CB GLN A 50 9.889 3.651 -11.139 1.00 0.00 C ATOM 774 CG GLN A 50 8.807 4.731 -11.009 1.00 0.00 C ATOM 775 CD GLN A 50 9.430 6.045 -10.538 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.304 6.054 -9.671 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.021 7.171 -11.061 1.00 0.00 N ATOM 0 H GLN A 50 9.508 3.583 -13.972 1.00 0.00 H new ATOM 0 HA GLN A 50 11.467 4.764 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.423 2.673 -11.254 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.486 3.614 -10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.312 4.878 -11.969 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.043 4.408 -10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.297 7.166 -11.779 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.426 8.054 -10.751 1.00 0.00 H new ATOM 786 N ASN A 51 12.873 2.683 -12.271 1.00 0.00 N ATOM 787 CA ASN A 51 13.741 1.527 -12.522 1.00 0.00 C ATOM 788 C ASN A 51 14.381 1.035 -11.217 1.00 0.00 C ATOM 789 O ASN A 51 15.577 1.232 -10.984 1.00 0.00 O ATOM 790 CB ASN A 51 14.842 1.894 -13.525 1.00 0.00 C ATOM 791 CG ASN A 51 14.232 2.088 -14.911 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.236 1.171 -15.732 1.00 0.00 O ATOM 793 ND2 ASN A 51 13.701 3.240 -15.226 1.00 0.00 N ATOM 0 H ASN A 51 13.325 3.458 -11.786 1.00 0.00 H new ATOM 0 HA ASN A 51 13.127 0.728 -12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.346 2.807 -13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.596 1.108 -13.556 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.291 3.377 -16.150 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.696 4.002 -14.548 1.00 0.00 H new ATOM 800 N PRO A 52 13.586 0.386 -10.352 1.00 0.00 N ATOM 801 CA PRO A 52 14.078 -0.142 -9.064 1.00 0.00 C ATOM 802 C PRO A 52 14.719 -1.530 -9.203 1.00 0.00 C ATOM 803 O PRO A 52 15.096 -1.949 -10.299 1.00 0.00 O ATOM 804 CB PRO A 52 12.794 -0.220 -8.245 1.00 0.00 C ATOM 805 CG PRO A 52 11.642 -0.342 -9.235 1.00 0.00 C ATOM 806 CD PRO A 52 12.150 0.141 -10.598 1.00 0.00 C ATOM 0 HA PRO A 52 14.861 0.476 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.817 -1.077 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.677 0.669 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.299 -1.375 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.792 0.257 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.996 -0.608 -11.374 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.636 1.046 -10.922 1.00 0.00 H new ATOM 814 N THR A 53 14.826 -2.236 -8.074 1.00 0.00 N ATOM 815 CA THR A 53 15.408 -3.582 -8.056 1.00 0.00 C ATOM 816 C THR A 53 14.299 -4.603 -7.768 1.00 0.00 C ATOM 817 O THR A 53 13.161 -4.218 -7.495 1.00 0.00 O ATOM 818 CB THR A 53 16.501 -3.676 -6.972 1.00 0.00 C ATOM 819 OG1 THR A 53 15.909 -3.974 -5.715 1.00 0.00 O ATOM 820 CG2 THR A 53 17.254 -2.348 -6.868 1.00 0.00 C ATOM 0 H THR A 53 14.518 -1.899 -7.162 1.00 0.00 H new ATOM 0 HA THR A 53 15.861 -3.793 -9.025 1.00 0.00 H new ATOM 0 HB THR A 53 17.198 -4.468 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.608 -4.034 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.023 -2.425 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.720 -2.118 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.556 -1.554 -6.604 1.00 0.00 H new ATOM 828 N PRO A 54 14.606 -5.909 -7.807 1.00 0.00 N ATOM 829 CA PRO A 54 13.594 -6.947 -7.525 1.00 0.00 C ATOM 830 C PRO A 54 13.254 -7.030 -6.035 1.00 0.00 C ATOM 831 O PRO A 54 12.134 -7.389 -5.663 1.00 0.00 O ATOM 832 CB PRO A 54 14.270 -8.218 -8.030 1.00 0.00 C ATOM 833 CG PRO A 54 15.768 -7.952 -8.028 1.00 0.00 C ATOM 834 CD PRO A 54 15.955 -6.434 -8.116 1.00 0.00 C ATOM 0 HA PRO A 54 12.634 -6.752 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.027 -9.065 -7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.923 -8.468 -9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.228 -8.345 -7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.249 -8.449 -8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.699 -6.078 -7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.290 -6.126 -9.107 1.00 0.00 H new ATOM 842 N GLU A 55 14.225 -6.662 -5.193 1.00 0.00 N ATOM 843 CA GLU A 55 14.015 -6.663 -3.745 1.00 0.00 C ATOM 844 C GLU A 55 13.278 -5.389 -3.321 1.00 0.00 C ATOM 845 O GLU A 55 12.438 -5.416 -2.422 1.00 0.00 O ATOM 846 CB GLU A 55 15.355 -6.734 -3.005 1.00 0.00 C ATOM 847 CG GLU A 55 15.912 -8.158 -3.081 1.00 0.00 C ATOM 848 CD GLU A 55 17.307 -8.195 -2.461 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.249 -7.831 -3.146 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.412 -8.589 -1.311 1.00 0.00 O ATOM 0 H GLU A 55 15.155 -6.363 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 55 13.418 -7.538 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.063 -6.032 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.222 -6.440 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.251 -8.847 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.955 -8.488 -4.119 1.00 0.00 H new ATOM 857 N GLU A 56 13.613 -4.272 -3.983 1.00 0.00 N ATOM 858 CA GLU A 56 12.993 -2.981 -3.676 1.00 0.00 C ATOM 859 C GLU A 56 11.565 -2.905 -4.221 1.00 0.00 C ATOM 860 O GLU A 56 10.657 -2.442 -3.528 1.00 0.00 O ATOM 861 CB GLU A 56 13.818 -1.840 -4.280 1.00 0.00 C ATOM 862 CG GLU A 56 13.601 -0.560 -3.467 1.00 0.00 C ATOM 863 CD GLU A 56 14.749 0.411 -3.729 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.758 1.017 -4.788 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.602 0.537 -2.865 1.00 0.00 O ATOM 0 H GLU A 56 14.307 -4.239 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 56 12.961 -2.883 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.875 -2.105 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.527 -1.677 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.652 -0.099 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.546 -0.796 -2.404 1.00 0.00 H new ATOM 872 N LEU A 57 11.374 -3.354 -5.469 1.00 0.00 N ATOM 873 CA LEU A 57 10.046 -3.319 -6.086 1.00 0.00 C ATOM 874 C LEU A 57 9.045 -4.154 -5.283 1.00 0.00 C ATOM 875 O LEU A 57 7.881 -3.783 -5.160 1.00 0.00 O ATOM 876 CB LEU A 57 10.096 -3.817 -7.541 1.00 0.00 C ATOM 877 CG LEU A 57 10.274 -5.330 -7.743 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.917 -6.035 -7.651 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.874 -5.586 -9.128 1.00 0.00 C ATOM 0 H LEU A 57 12.110 -3.739 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 57 9.714 -2.281 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.175 -3.513 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.915 -3.307 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 57 10.936 -5.718 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.053 -7.107 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.479 -5.854 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.252 -5.647 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.002 -6.658 -9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.205 -5.191 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.842 -5.091 -9.202 1.00 0.00 H new ATOM 891 N GLN A 58 9.509 -5.281 -4.732 1.00 0.00 N ATOM 892 CA GLN A 58 8.632 -6.148 -3.940 1.00 0.00 C ATOM 893 C GLN A 58 8.200 -5.459 -2.638 1.00 0.00 C ATOM 894 O GLN A 58 7.089 -5.678 -2.153 1.00 0.00 O ATOM 895 CB GLN A 58 9.338 -7.466 -3.604 1.00 0.00 C ATOM 896 CG GLN A 58 8.311 -8.498 -3.123 1.00 0.00 C ATOM 897 CD GLN A 58 7.309 -8.797 -4.239 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.611 -9.546 -5.170 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.122 -8.250 -4.202 1.00 0.00 N ATOM 0 H GLN A 58 10.471 -5.610 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 58 7.746 -6.353 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.862 -7.843 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.089 -7.300 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.818 -9.415 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.788 -8.121 -2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.870 -7.630 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.448 -8.443 -4.943 1.00 0.00 H new ATOM 908 N GLU A 59 9.085 -4.622 -2.081 1.00 0.00 N ATOM 909 CA GLU A 59 8.781 -3.907 -0.835 1.00 0.00 C ATOM 910 C GLU A 59 7.612 -2.939 -1.027 1.00 0.00 C ATOM 911 O GLU A 59 6.654 -2.956 -0.253 1.00 0.00 O ATOM 912 CB GLU A 59 10.002 -3.118 -0.350 1.00 0.00 C ATOM 913 CG GLU A 59 11.028 -4.077 0.260 1.00 0.00 C ATOM 914 CD GLU A 59 12.035 -3.288 1.090 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.760 -3.057 2.257 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.067 -2.926 0.549 1.00 0.00 O ATOM 0 H GLU A 59 10.008 -4.425 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 59 8.510 -4.655 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.449 -2.573 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.698 -2.377 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.525 -4.815 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.542 -4.626 -0.529 1.00 0.00 H new ATOM 923 N MET A 60 7.698 -2.098 -2.066 1.00 0.00 N ATOM 924 CA MET A 60 6.631 -1.128 -2.341 1.00 0.00 C ATOM 925 C MET A 60 5.323 -1.841 -2.695 1.00 0.00 C ATOM 926 O MET A 60 4.234 -1.332 -2.420 1.00 0.00 O ATOM 927 CB MET A 60 7.022 -0.171 -3.481 1.00 0.00 C ATOM 928 CG MET A 60 7.348 -0.959 -4.753 1.00 0.00 C ATOM 929 SD MET A 60 7.688 0.194 -6.107 1.00 0.00 S ATOM 930 CE MET A 60 5.982 0.391 -6.679 1.00 0.00 C ATOM 0 H MET A 60 8.481 -2.069 -2.719 1.00 0.00 H new ATOM 0 HA MET A 60 6.484 -0.544 -1.433 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.206 0.525 -3.676 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.885 0.425 -3.184 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.211 -1.602 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.513 -1.609 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.899 0.034 -7.706 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.315 -0.187 -6.039 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.703 1.444 -6.637 1.00 0.00 H new ATOM 940 N ILE A 61 5.440 -3.031 -3.292 1.00 0.00 N ATOM 941 CA ILE A 61 4.260 -3.815 -3.662 1.00 0.00 C ATOM 942 C ILE A 61 3.563 -4.328 -2.405 1.00 0.00 C ATOM 943 O ILE A 61 2.355 -4.184 -2.258 1.00 0.00 O ATOM 944 CB ILE A 61 4.647 -5.003 -4.547 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.151 -4.482 -5.893 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.426 -5.902 -4.778 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.952 -5.575 -6.594 1.00 0.00 C ATOM 0 H ILE A 61 6.331 -3.468 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 61 3.584 -3.168 -4.221 1.00 0.00 H new ATOM 0 HB ILE A 61 5.429 -5.580 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.310 -4.177 -6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.773 -3.599 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.709 -6.745 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.060 -6.272 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.640 -5.329 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.311 -5.204 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.802 -5.858 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.316 -6.445 -6.757 1.00 0.00 H new ATOM 959 N ASP A 62 4.342 -4.920 -1.496 1.00 0.00 N ATOM 960 CA ASP A 62 3.781 -5.440 -0.245 1.00 0.00 C ATOM 961 C ASP A 62 3.102 -4.315 0.543 1.00 0.00 C ATOM 962 O ASP A 62 2.106 -4.543 1.231 1.00 0.00 O ATOM 963 CB ASP A 62 4.873 -6.082 0.617 1.00 0.00 C ATOM 964 CG ASP A 62 5.034 -7.547 0.217 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.315 -8.371 0.759 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.871 -7.824 -0.626 1.00 0.00 O ATOM 0 H ASP A 62 5.348 -5.050 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 62 3.042 -6.200 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.816 -5.551 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.610 -6.008 1.672 1.00 0.00 H new ATOM 971 N GLU A 63 3.647 -3.096 0.423 1.00 0.00 N ATOM 972 CA GLU A 63 3.078 -1.935 1.116 1.00 0.00 C ATOM 973 C GLU A 63 1.671 -1.626 0.591 1.00 0.00 C ATOM 974 O GLU A 63 0.746 -1.394 1.371 1.00 0.00 O ATOM 975 CB GLU A 63 3.963 -0.699 0.917 1.00 0.00 C ATOM 976 CG GLU A 63 5.168 -0.770 1.861 1.00 0.00 C ATOM 977 CD GLU A 63 6.252 0.192 1.379 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.055 1.390 1.505 1.00 0.00 O ATOM 979 OE2 GLU A 63 7.265 -0.285 0.895 1.00 0.00 O ATOM 0 H GLU A 63 4.472 -2.891 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 63 3.025 -2.178 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.302 -0.645 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.389 0.207 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.864 -0.513 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.558 -1.787 1.893 1.00 0.00 H new ATOM 986 N VAL A 64 1.520 -1.626 -0.740 1.00 0.00 N ATOM 987 CA VAL A 64 0.217 -1.346 -1.359 1.00 0.00 C ATOM 988 C VAL A 64 -0.696 -2.582 -1.314 1.00 0.00 C ATOM 989 O VAL A 64 -1.920 -2.454 -1.231 1.00 0.00 O ATOM 990 CB VAL A 64 0.394 -0.880 -2.817 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.032 -1.990 -3.658 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.969 -0.512 -3.410 1.00 0.00 C ATOM 0 H VAL A 64 2.273 -1.814 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.254 -0.547 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 64 1.047 -0.007 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.150 -1.646 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.009 -2.243 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.392 -2.872 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.840 -0.183 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.623 -1.383 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.415 0.293 -2.825 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.091 -3.777 -1.362 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.858 -5.023 -1.319 1.00 0.00 C ATOM 1004 C ASP A 65 -1.377 -5.262 0.097 1.00 0.00 C ATOM 1005 O ASP A 65 -0.614 -5.593 1.007 1.00 0.00 O ATOM 1006 CB ASP A 65 0.013 -6.214 -1.749 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.715 -7.036 -2.813 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.644 -7.744 -2.459 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.328 -6.948 -3.968 1.00 0.00 O ATOM 0 H ASP A 65 0.919 -3.904 -1.430 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.697 -4.933 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.965 -5.856 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.240 -6.840 -0.886 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.687 -5.076 0.270 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.317 -5.261 1.581 1.00 0.00 C ATOM 1016 C GLU A 66 -3.191 -6.710 2.043 1.00 0.00 C ATOM 1017 O GLU A 66 -2.833 -6.981 3.190 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.805 -4.889 1.527 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.972 -3.495 0.916 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.408 -3.019 1.109 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.699 -2.489 2.169 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.197 -3.192 0.194 1.00 0.00 O ATOM 0 H GLU A 66 -3.329 -4.800 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.803 -4.608 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.351 -5.623 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.230 -4.909 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.280 -2.796 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.727 -3.521 -0.146 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.495 -7.635 1.132 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.424 -9.066 1.442 1.00 0.00 C ATOM 1031 C ASP A 67 -2.032 -9.639 1.145 1.00 0.00 C ATOM 1032 O ASP A 67 -1.552 -10.516 1.865 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.487 -9.845 0.650 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.288 -9.655 -0.856 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.453 -8.541 -1.331 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.981 -10.631 -1.512 1.00 0.00 O ATOM 0 H ASP A 67 -3.791 -7.423 0.179 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.618 -9.177 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.429 -10.905 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.482 -9.505 0.936 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.389 -9.137 0.085 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.052 -9.609 -0.288 1.00 0.00 C ATOM 1043 C GLY A 68 -0.115 -10.992 -0.937 1.00 0.00 C ATOM 1044 O GLY A 68 0.655 -11.890 -0.589 1.00 0.00 O ATOM 0 H GLY A 68 -1.768 -8.412 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.407 -8.901 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.583 -9.648 0.597 1.00 0.00 H new ATOM 1048 N SER A 69 -1.045 -11.150 -1.881 1.00 0.00 N ATOM 1049 CA SER A 69 -1.220 -12.429 -2.585 1.00 0.00 C ATOM 1050 C SER A 69 -0.112 -12.674 -3.615 1.00 0.00 C ATOM 1051 O SER A 69 0.132 -13.816 -4.012 1.00 0.00 O ATOM 1052 CB SER A 69 -2.565 -12.457 -3.320 1.00 0.00 C ATOM 1053 OG SER A 69 -2.774 -11.208 -3.980 1.00 0.00 O ATOM 0 H SER A 69 -1.687 -10.415 -2.177 1.00 0.00 H new ATOM 0 HA SER A 69 -1.180 -13.210 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.578 -13.270 -4.046 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.373 -12.647 -2.614 1.00 0.00 H new ATOM 0 HG SER A 69 -3.248 -10.596 -3.379 1.00 0.00 H new ATOM 1059 N GLY A 70 0.538 -11.596 -4.063 1.00 0.00 N ATOM 1060 CA GLY A 70 1.594 -11.709 -5.070 1.00 0.00 C ATOM 1061 C GLY A 70 1.100 -11.215 -6.437 1.00 0.00 C ATOM 1062 O GLY A 70 1.737 -11.461 -7.463 1.00 0.00 O ATOM 0 H GLY A 70 0.353 -10.644 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.462 -11.127 -4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.918 -12.747 -5.149 1.00 0.00 H new ATOM 1066 N THR A 71 -0.044 -10.513 -6.435 1.00 0.00 N ATOM 1067 CA THR A 71 -0.625 -9.977 -7.664 1.00 0.00 C ATOM 1068 C THR A 71 -1.246 -8.612 -7.378 1.00 0.00 C ATOM 1069 O THR A 71 -1.994 -8.449 -6.408 1.00 0.00 O ATOM 1070 CB THR A 71 -1.705 -10.919 -8.220 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.790 -10.994 -7.302 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.120 -12.317 -8.429 1.00 0.00 C ATOM 0 H THR A 71 -0.581 -10.306 -5.593 1.00 0.00 H new ATOM 0 HA THR A 71 0.167 -9.882 -8.406 1.00 0.00 H new ATOM 0 HB THR A 71 -2.059 -10.531 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.479 -11.593 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.891 -12.979 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.292 -12.263 -9.136 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.759 -12.707 -7.477 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.927 -7.628 -8.220 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.464 -6.284 -8.025 1.00 0.00 C ATOM 1082 C VAL A 72 -2.845 -6.163 -8.657 1.00 0.00 C ATOM 1083 O VAL A 72 -3.018 -6.379 -9.859 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.554 -5.214 -8.639 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.008 -3.830 -8.166 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.896 -5.444 -8.204 1.00 0.00 C ATOM 0 H VAL A 72 -0.312 -7.733 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.526 -6.122 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.616 -5.275 -9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.363 -3.067 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.037 -3.657 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.948 -3.779 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.534 -4.679 -8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.963 -5.390 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.225 -6.428 -8.539 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.817 -5.786 -7.832 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.186 -5.595 -8.305 1.00 0.00 C ATOM 1098 C ASP A 73 -5.311 -4.182 -8.860 1.00 0.00 C ATOM 1099 O ASP A 73 -4.483 -3.324 -8.558 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.188 -5.777 -7.157 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.188 -7.231 -6.688 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.230 -7.630 -6.040 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.147 -7.926 -6.981 1.00 0.00 O ATOM 0 H ASP A 73 -3.684 -5.607 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.406 -6.334 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.927 -5.119 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.187 -5.493 -7.487 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.340 -3.933 -9.671 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.519 -2.596 -10.238 1.00 0.00 C ATOM 1110 C PHE A 74 -6.617 -1.544 -9.123 1.00 0.00 C ATOM 1111 O PHE A 74 -6.170 -0.409 -9.291 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.767 -2.529 -11.124 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.730 -1.261 -11.938 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.555 -0.900 -12.606 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.864 -0.449 -12.022 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.517 0.277 -13.359 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.825 0.727 -12.776 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.652 1.091 -13.444 1.00 0.00 C ATOM 0 H PHE A 74 -7.044 -4.618 -9.944 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.646 -2.382 -10.855 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.807 -3.397 -11.782 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.666 -2.554 -10.509 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.680 -1.529 -12.540 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.770 -0.730 -11.505 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.611 0.558 -13.875 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.701 1.355 -12.843 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.622 2.000 -14.026 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.184 -1.945 -7.977 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.306 -1.036 -6.833 1.00 0.00 C ATOM 1130 C ASP A 75 -5.920 -0.737 -6.255 1.00 0.00 C ATOM 1131 O ASP A 75 -5.596 0.412 -5.952 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.182 -1.654 -5.736 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.568 -1.963 -6.296 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.388 -1.060 -6.332 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.789 -3.099 -6.682 1.00 0.00 O ATOM 0 H ASP A 75 -7.560 -2.880 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.771 -0.114 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.720 -2.567 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.265 -0.967 -4.893 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.102 -1.791 -6.126 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.737 -1.647 -5.603 1.00 0.00 C ATOM 1142 C GLU A 76 -2.849 -0.932 -6.631 1.00 0.00 C ATOM 1143 O GLU A 76 -1.901 -0.231 -6.271 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.131 -3.026 -5.286 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.074 -3.808 -4.355 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.534 -5.222 -4.100 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.943 -5.797 -5.002 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.734 -5.717 -3.002 1.00 0.00 O ATOM 0 H GLU A 76 -5.360 -2.746 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.785 -1.057 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.971 -3.584 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.156 -2.905 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.181 -3.278 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.067 -3.867 -4.801 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.181 -1.117 -7.914 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.438 -0.496 -9.015 1.00 0.00 C ATOM 1157 C PHE A 77 -2.573 1.027 -8.961 1.00 0.00 C ATOM 1158 O PHE A 77 -1.577 1.753 -8.981 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.999 -0.997 -10.354 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.931 -1.095 -11.424 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.562 -1.212 -11.104 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.332 -1.086 -12.761 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.381 -1.314 -12.131 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.388 -1.191 -13.778 1.00 0.00 C ATOM 1165 CZ PHE A 77 -0.034 -1.304 -13.467 1.00 0.00 C ATOM 0 H PHE A 77 -3.965 -1.696 -8.216 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.386 -0.765 -8.921 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.457 -1.976 -10.210 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.787 -0.323 -10.691 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.244 -1.223 -10.072 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.380 -0.997 -13.007 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.431 -1.401 -11.893 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.705 -1.185 -14.810 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.696 -1.384 -14.259 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.825 1.497 -8.889 1.00 0.00 N ATOM 1176 CA LEU A 78 -4.105 2.936 -8.831 1.00 0.00 C ATOM 1177 C LEU A 78 -3.672 3.522 -7.484 1.00 0.00 C ATOM 1178 O LEU A 78 -3.205 4.661 -7.417 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.600 3.203 -9.044 1.00 0.00 C ATOM 1180 CG LEU A 78 -6.040 3.385 -10.505 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.317 2.379 -11.403 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.550 3.165 -10.613 1.00 0.00 C ATOM 0 H LEU A 78 -4.655 0.905 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.536 3.417 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.164 2.375 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.874 4.099 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.789 4.396 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.637 2.518 -12.436 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.241 2.536 -11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.558 1.366 -11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.863 3.294 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.795 2.156 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.069 3.889 -9.984 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.818 2.729 -6.413 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.421 3.179 -5.074 1.00 0.00 C ATOM 1196 C VAL A 79 -1.923 3.506 -5.064 1.00 0.00 C ATOM 1197 O VAL A 79 -1.508 4.553 -4.571 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.735 2.094 -4.026 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.713 2.138 -2.887 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.136 2.333 -3.454 1.00 0.00 C ATOM 0 H VAL A 79 -4.203 1.785 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.986 4.076 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.688 1.117 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.950 1.365 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.714 1.965 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.746 3.115 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.362 1.567 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.174 3.316 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.870 2.286 -4.258 1.00 0.00 H new ATOM 1210 N MET A 80 -1.123 2.591 -5.625 1.00 0.00 N ATOM 1211 CA MET A 80 0.333 2.773 -5.703 1.00 0.00 C ATOM 1212 C MET A 80 0.694 4.166 -6.242 1.00 0.00 C ATOM 1213 O MET A 80 1.744 4.718 -5.904 1.00 0.00 O ATOM 1214 CB MET A 80 0.945 1.713 -6.625 1.00 0.00 C ATOM 1215 CG MET A 80 2.114 1.028 -5.918 1.00 0.00 C ATOM 1216 SD MET A 80 2.472 -0.553 -6.730 1.00 0.00 S ATOM 1217 CE MET A 80 2.810 0.101 -8.385 1.00 0.00 C ATOM 0 H MET A 80 -1.458 1.718 -6.031 1.00 0.00 H new ATOM 0 HA MET A 80 0.733 2.671 -4.694 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.190 0.976 -6.898 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.288 2.176 -7.550 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.995 1.670 -5.944 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.871 0.863 -4.868 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.194 -0.697 -9.020 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.890 0.496 -8.815 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.550 0.898 -8.317 1.00 0.00 H new ATOM 1227 N MET A 81 -0.192 4.731 -7.077 1.00 0.00 N ATOM 1228 CA MET A 81 0.034 6.060 -7.650 1.00 0.00 C ATOM 1229 C MET A 81 0.039 7.124 -6.551 1.00 0.00 C ATOM 1230 O MET A 81 1.012 7.862 -6.393 1.00 0.00 O ATOM 1231 CB MET A 81 -1.063 6.392 -8.667 1.00 0.00 C ATOM 1232 CG MET A 81 -0.602 7.533 -9.577 1.00 0.00 C ATOM 1233 SD MET A 81 -2.008 8.614 -9.947 1.00 0.00 S ATOM 1234 CE MET A 81 -3.054 7.377 -10.755 1.00 0.00 C ATOM 0 H MET A 81 -1.065 4.289 -7.367 1.00 0.00 H new ATOM 0 HA MET A 81 1.003 6.054 -8.149 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.296 5.510 -9.264 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.978 6.676 -8.148 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.191 8.102 -9.092 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.186 7.131 -10.501 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.061 7.775 -10.876 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.640 7.133 -11.733 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.091 6.476 -10.142 1.00 0.00 H new ATOM 1244 N VAL A 82 -1.059 7.189 -5.789 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.174 8.163 -4.693 1.00 0.00 C ATOM 1246 C VAL A 82 -0.160 7.868 -3.583 1.00 0.00 C ATOM 1247 O VAL A 82 0.258 8.772 -2.860 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.582 8.157 -4.086 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.597 8.619 -5.133 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.943 6.744 -3.619 1.00 0.00 C ATOM 0 H VAL A 82 -1.873 6.587 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.970 9.144 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.603 8.835 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.596 8.613 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.349 9.629 -5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.570 7.944 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.945 6.748 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.915 6.062 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.226 6.415 -2.866 1.00 0.00 H new ATOM 1260 N ARG A 83 0.228 6.591 -3.461 1.00 0.00 N ATOM 1261 CA ARG A 83 1.200 6.175 -2.441 1.00 0.00 C ATOM 1262 C ARG A 83 2.484 7.004 -2.539 1.00 0.00 C ATOM 1263 O ARG A 83 3.130 7.282 -1.526 1.00 0.00 O ATOM 1264 CB ARG A 83 1.558 4.694 -2.607 1.00 0.00 C ATOM 1265 CG ARG A 83 0.404 3.821 -2.103 1.00 0.00 C ATOM 1266 CD ARG A 83 0.948 2.468 -1.636 1.00 0.00 C ATOM 1267 NE ARG A 83 1.597 2.591 -0.329 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.889 2.678 0.808 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.423 2.641 0.789 1.00 0.00 N ATOM 1270 NH2 ARG A 83 1.516 2.798 1.950 1.00 0.00 N ATOM 0 H ARG A 83 -0.114 5.833 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 83 0.739 6.334 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.761 4.475 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.468 4.466 -2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.111 4.320 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.328 3.675 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.135 1.745 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.661 2.086 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 83 2.616 2.611 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.918 2.545 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.948 2.708 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.535 2.825 1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.985 2.865 2.819 1.00 0.00 H new