USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 66 LYS NZ :NH3+ 176:sc= 1.84 (180deg=1.29) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.241 USER MOD Set 2.1: A 24 MET CE :methyl -178:sc= -0.862 (180deg=-0.88) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -1.73! USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0137 (180deg=-0.151) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.495 K(o=-0.5,f=-3.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -132:sc= -1.28 (180deg=-3.11) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.921 USER MOD Single : A 29 CYS SG : rot 63:sc= -2.91! USER MOD Single : A 31 MET CE :methyl 137:sc= -0.18 (180deg=-1.43) USER MOD Single : A 45 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.053) USER MOD Single : A 52 SER OG : rot -147:sc= 1.25 USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.143 (180deg=-0.651) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 130:sc= 0.712 USER MOD Single : A 72 MET CE :methyl -142:sc= -0.207 (180deg=-0.865) USER MOD Single : A 75 ASN : amide:sc= -2.43! C(o=-2.4!,f=-3.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 169:sc= -4.26! (180deg=-4.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 14.297 -6.980 2.138 1.00 1.00 N ATOM 107 CA VAL A 2 13.251 -7.661 1.388 1.00 1.00 C ATOM 108 C VAL A 2 12.035 -6.749 1.283 1.00 1.00 C ATOM 109 O VAL A 2 11.048 -6.909 2.002 1.00 1.00 O ATOM 110 CB VAL A 2 12.838 -9.001 2.035 1.00 1.00 C ATOM 111 CG1 VAL A 2 11.888 -9.771 1.130 1.00 1.00 C ATOM 112 CG2 VAL A 2 14.060 -9.841 2.361 1.00 1.00 C ATOM 0 HA VAL A 2 13.648 -7.888 0.399 1.00 1.00 H new ATOM 0 HB VAL A 2 12.316 -8.778 2.966 1.00 1.00 H new ATOM 0 HG11 VAL A 2 11.612 -10.711 1.608 1.00 1.00 H new ATOM 0 HG12 VAL A 2 10.992 -9.177 0.954 1.00 1.00 H new ATOM 0 HG13 VAL A 2 12.379 -9.978 0.179 1.00 1.00 H new ATOM 0 HG21 VAL A 2 13.745 -10.780 2.816 1.00 1.00 H new ATOM 0 HG22 VAL A 2 14.613 -10.049 1.445 1.00 1.00 H new ATOM 0 HG23 VAL A 2 14.700 -9.298 3.056 1.00 1.00 H new ATOM 122 N ALA A 3 12.143 -5.760 0.412 1.00 1.00 N ATOM 123 CA ALA A 3 11.111 -4.754 0.270 1.00 1.00 C ATOM 124 C ALA A 3 9.966 -5.264 -0.588 1.00 1.00 C ATOM 125 O ALA A 3 10.170 -5.738 -1.710 1.00 1.00 O ATOM 126 CB ALA A 3 11.693 -3.475 -0.311 1.00 1.00 C ATOM 0 H ALA A 3 12.942 -5.634 -0.210 1.00 1.00 H new ATOM 0 HA ALA A 3 10.713 -4.533 1.260 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.904 -2.729 -0.411 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.470 -3.095 0.352 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.122 -3.683 -1.291 1.00 1.00 H new ATOM 132 N LEU A 4 8.766 -5.156 -0.047 1.00 1.00 N ATOM 133 CA LEU A 4 7.564 -5.602 -0.724 1.00 1.00 C ATOM 134 C LEU A 4 7.187 -4.594 -1.799 1.00 1.00 C ATOM 135 O LEU A 4 6.760 -3.481 -1.495 1.00 1.00 O ATOM 136 CB LEU A 4 6.420 -5.751 0.283 1.00 1.00 C ATOM 137 CG LEU A 4 6.754 -6.560 1.540 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.561 -6.598 2.480 1.00 1.00 C ATOM 139 CD2 LEU A 4 7.194 -7.970 1.176 1.00 1.00 C ATOM 0 H LEU A 4 8.598 -4.756 0.876 1.00 1.00 H new ATOM 0 HA LEU A 4 7.748 -6.571 -1.188 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.094 -4.756 0.587 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.576 -6.223 -0.219 1.00 1.00 H new ATOM 0 HG LEU A 4 7.582 -6.069 2.052 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.816 -7.177 3.368 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.296 -5.582 2.773 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.714 -7.062 1.975 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.426 -8.525 2.085 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.391 -8.474 0.638 1.00 1.00 H new ATOM 0 HD23 LEU A 4 8.081 -7.923 0.544 1.00 1.00 H new ATOM 151 N SER A 5 7.379 -4.972 -3.049 1.00 1.00 N ATOM 152 CA SER A 5 7.095 -4.080 -4.157 1.00 1.00 C ATOM 153 C SER A 5 5.715 -4.366 -4.736 1.00 1.00 C ATOM 154 O SER A 5 5.525 -5.328 -5.480 1.00 1.00 O ATOM 155 CB SER A 5 8.169 -4.241 -5.228 1.00 1.00 C ATOM 156 OG SER A 5 9.464 -4.134 -4.654 1.00 1.00 O ATOM 0 H SER A 5 7.730 -5.890 -3.322 1.00 1.00 H new ATOM 0 HA SER A 5 7.102 -3.051 -3.796 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.061 -5.209 -5.717 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.041 -3.479 -5.997 1.00 1.00 H new ATOM 0 HG SER A 5 10.142 -4.241 -5.354 1.00 1.00 H new ATOM 162 N LEU A 6 4.754 -3.526 -4.395 1.00 1.00 N ATOM 163 CA LEU A 6 3.383 -3.725 -4.832 1.00 1.00 C ATOM 164 C LEU A 6 2.994 -2.716 -5.895 1.00 1.00 C ATOM 165 O LEU A 6 3.620 -1.660 -6.032 1.00 1.00 O ATOM 166 CB LEU A 6 2.400 -3.614 -3.658 1.00 1.00 C ATOM 167 CG LEU A 6 2.367 -4.793 -2.698 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.514 -4.725 -1.702 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.029 -4.854 -1.979 1.00 1.00 C ATOM 0 H LEU A 6 4.898 -2.699 -3.816 1.00 1.00 H new ATOM 0 HA LEU A 6 3.329 -4.730 -5.251 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.644 -2.716 -3.090 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.398 -3.473 -4.062 1.00 1.00 H new ATOM 0 HG LEU A 6 2.489 -5.707 -3.280 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.463 -5.581 -1.029 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.463 -4.741 -2.238 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.439 -3.804 -1.123 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.022 -5.703 -1.296 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.876 -3.934 -1.416 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.228 -4.969 -2.710 1.00 1.00 H new ATOM 181 N LYS A 7 1.959 -3.052 -6.648 1.00 1.00 N ATOM 182 CA LYS A 7 1.371 -2.118 -7.584 1.00 1.00 C ATOM 183 C LYS A 7 0.310 -1.312 -6.857 1.00 1.00 C ATOM 184 O LYS A 7 -0.779 -1.813 -6.571 1.00 1.00 O ATOM 185 CB LYS A 7 0.745 -2.846 -8.777 1.00 1.00 C ATOM 186 CG LYS A 7 1.730 -3.658 -9.602 1.00 1.00 C ATOM 187 CD LYS A 7 2.888 -2.807 -10.098 1.00 1.00 C ATOM 188 CE LYS A 7 3.721 -3.545 -11.134 1.00 1.00 C ATOM 189 NZ LYS A 7 4.137 -4.894 -10.665 1.00 1.00 N ATOM 0 H LYS A 7 1.511 -3.968 -6.626 1.00 1.00 H new ATOM 0 HA LYS A 7 2.151 -1.462 -7.970 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -0.039 -3.510 -8.412 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.265 -2.112 -9.424 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.116 -4.481 -9.001 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.213 -4.100 -10.454 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.503 -1.884 -10.531 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.520 -2.525 -9.256 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.147 -3.644 -12.055 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.607 -2.956 -11.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.874 -5.269 -11.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.512 -4.825 -9.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.316 -5.533 -10.673 1.00 1.00 H new ATOM 203 N ILE A 8 0.640 -0.079 -6.534 1.00 1.00 N ATOM 204 CA ILE A 8 -0.267 0.775 -5.797 1.00 1.00 C ATOM 205 C ILE A 8 -1.129 1.572 -6.757 1.00 1.00 C ATOM 206 O ILE A 8 -0.639 2.443 -7.474 1.00 1.00 O ATOM 207 CB ILE A 8 0.486 1.740 -4.861 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.373 0.959 -3.883 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.501 2.617 -4.106 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.610 -0.014 -3.008 1.00 1.00 C ATOM 0 H ILE A 8 1.532 0.355 -6.771 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.895 0.130 -5.183 1.00 1.00 H new ATOM 0 HB ILE A 8 1.128 2.381 -5.465 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.126 0.411 -4.449 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.905 1.666 -3.246 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.043 3.294 -3.448 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.090 3.197 -4.817 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.165 1.989 -3.511 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.305 -0.528 -2.344 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.125 0.530 -2.414 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.100 -0.745 -3.636 1.00 1.00 H new ATOM 222 N SER A 9 -2.407 1.258 -6.779 1.00 1.00 N ATOM 223 CA SER A 9 -3.332 1.943 -7.650 1.00 1.00 C ATOM 224 C SER A 9 -3.959 3.117 -6.918 1.00 1.00 C ATOM 225 O SER A 9 -4.862 2.947 -6.100 1.00 1.00 O ATOM 226 CB SER A 9 -4.411 0.975 -8.131 1.00 1.00 C ATOM 227 OG SER A 9 -5.168 1.520 -9.199 1.00 1.00 O ATOM 0 H SER A 9 -2.828 0.530 -6.201 1.00 1.00 H new ATOM 0 HA SER A 9 -2.793 2.321 -8.518 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.946 0.043 -8.453 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.075 0.730 -7.302 1.00 1.00 H new ATOM 0 HG SER A 9 -5.847 0.873 -9.482 1.00 1.00 H new ATOM 233 N ILE A 10 -3.455 4.303 -7.199 1.00 1.00 N ATOM 234 CA ILE A 10 -4.000 5.518 -6.631 1.00 1.00 C ATOM 235 C ILE A 10 -5.056 6.058 -7.578 1.00 1.00 C ATOM 236 O ILE A 10 -4.742 6.775 -8.531 1.00 1.00 O ATOM 237 CB ILE A 10 -2.896 6.574 -6.414 1.00 1.00 C ATOM 238 CG1 ILE A 10 -1.726 5.959 -5.642 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.454 7.779 -5.666 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.464 6.792 -5.684 1.00 1.00 C ATOM 0 H ILE A 10 -2.662 4.450 -7.823 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.440 5.295 -5.659 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.535 6.910 -7.386 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.023 5.817 -4.603 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.512 4.971 -6.050 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.663 8.515 -5.521 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.262 8.225 -6.246 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -3.836 7.460 -4.696 1.00 1.00 H new ATOM 0 HD11 ILE A 10 0.321 6.293 -5.115 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.142 6.913 -6.718 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.660 7.772 -5.248 1.00 1.00 H new ATOM 252 N GLY A 11 -6.303 5.683 -7.336 1.00 1.00 N ATOM 253 CA GLY A 11 -7.351 5.960 -8.294 1.00 1.00 C ATOM 254 C GLY A 11 -7.214 5.053 -9.500 1.00 1.00 C ATOM 255 O GLY A 11 -7.617 3.889 -9.458 1.00 1.00 O ATOM 0 H GLY A 11 -6.607 5.193 -6.495 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.326 5.814 -7.829 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.301 7.003 -8.607 1.00 1.00 H new ATOM 259 N ASN A 12 -6.624 5.573 -10.563 1.00 1.00 N ATOM 260 CA ASN A 12 -6.286 4.758 -11.722 1.00 1.00 C ATOM 261 C ASN A 12 -4.793 4.846 -12.011 1.00 1.00 C ATOM 262 O ASN A 12 -4.294 4.264 -12.976 1.00 1.00 O ATOM 263 CB ASN A 12 -7.115 5.166 -12.951 1.00 1.00 C ATOM 264 CG ASN A 12 -6.913 6.610 -13.391 1.00 1.00 C ATOM 265 OD1 ASN A 12 -5.818 7.169 -13.302 1.00 1.00 O ATOM 266 ND2 ASN A 12 -7.984 7.227 -13.861 1.00 1.00 N ATOM 0 H ASN A 12 -6.368 6.557 -10.649 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.532 3.721 -11.495 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.862 4.507 -13.781 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -8.171 5.010 -12.731 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -7.921 8.199 -14.165 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.874 6.731 -13.920 1.00 1.00 H new ATOM 273 N VAL A 13 -4.079 5.567 -11.153 1.00 1.00 N ATOM 274 CA VAL A 13 -2.640 5.732 -11.295 1.00 1.00 C ATOM 275 C VAL A 13 -1.902 4.599 -10.589 1.00 1.00 C ATOM 276 O VAL A 13 -1.808 4.577 -9.363 1.00 1.00 O ATOM 277 CB VAL A 13 -2.164 7.084 -10.715 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.668 7.269 -10.928 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.940 8.239 -11.331 1.00 1.00 C ATOM 0 H VAL A 13 -4.478 6.049 -10.347 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.415 5.711 -12.361 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.356 7.077 -9.642 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.357 8.227 -10.512 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.127 6.464 -10.430 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.447 7.248 -11.995 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.588 9.180 -10.908 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.786 8.246 -12.410 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.002 8.119 -11.117 1.00 1.00 H new ATOM 289 N VAL A 14 -1.398 3.653 -11.366 1.00 1.00 N ATOM 290 CA VAL A 14 -0.671 2.521 -10.809 1.00 1.00 C ATOM 291 C VAL A 14 0.806 2.862 -10.643 1.00 1.00 C ATOM 292 O VAL A 14 1.484 3.219 -11.609 1.00 1.00 O ATOM 293 CB VAL A 14 -0.816 1.260 -11.692 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.096 0.074 -11.066 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.284 0.935 -11.923 1.00 1.00 C ATOM 0 H VAL A 14 -1.478 3.646 -12.383 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.105 2.307 -9.832 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.353 1.466 -12.657 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.212 -0.801 -11.705 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.963 0.307 -10.959 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.523 -0.134 -10.085 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.366 0.045 -12.546 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.772 0.753 -10.965 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.768 1.774 -12.423 1.00 1.00 H new ATOM 305 N LYS A 15 1.286 2.770 -9.413 1.00 1.00 N ATOM 306 CA LYS A 15 2.678 3.053 -9.094 1.00 1.00 C ATOM 307 C LYS A 15 3.336 1.852 -8.423 1.00 1.00 C ATOM 308 O LYS A 15 2.741 1.214 -7.556 1.00 1.00 O ATOM 309 CB LYS A 15 2.761 4.267 -8.166 1.00 1.00 C ATOM 310 CG LYS A 15 2.529 5.598 -8.862 1.00 1.00 C ATOM 311 CD LYS A 15 3.762 6.037 -9.635 1.00 1.00 C ATOM 312 CE LYS A 15 3.555 7.384 -10.305 1.00 1.00 C ATOM 313 NZ LYS A 15 4.831 7.939 -10.834 1.00 1.00 N ATOM 0 H LYS A 15 0.723 2.497 -8.608 1.00 1.00 H new ATOM 0 HA LYS A 15 3.207 3.265 -10.023 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.026 4.153 -7.370 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.743 4.283 -7.693 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.682 5.513 -9.542 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.270 6.357 -8.124 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.614 6.094 -8.958 1.00 1.00 H new ATOM 0 HD3 LYS A 15 4.004 5.289 -10.390 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.839 7.279 -11.120 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.123 8.084 -9.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.649 8.859 -11.284 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.506 8.063 -10.053 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.230 7.283 -11.536 1.00 1.00 H new ATOM 327 N THR A 16 4.559 1.548 -8.823 1.00 1.00 N ATOM 328 CA THR A 16 5.314 0.475 -8.201 1.00 1.00 C ATOM 329 C THR A 16 6.039 1.010 -6.969 1.00 1.00 C ATOM 330 O THR A 16 7.011 1.763 -7.081 1.00 1.00 O ATOM 331 CB THR A 16 6.340 -0.141 -9.175 1.00 1.00 C ATOM 332 OG1 THR A 16 5.689 -0.533 -10.392 1.00 1.00 O ATOM 333 CG2 THR A 16 7.021 -1.353 -8.552 1.00 1.00 C ATOM 0 H THR A 16 5.050 2.030 -9.576 1.00 1.00 H new ATOM 0 HA THR A 16 4.611 -0.307 -7.915 1.00 1.00 H new ATOM 0 HB THR A 16 7.097 0.613 -9.391 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.348 -0.921 -11.005 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.740 -1.769 -9.258 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.539 -1.051 -7.642 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.272 -2.107 -8.310 1.00 1.00 H new ATOM 341 N MET A 17 5.548 0.641 -5.798 1.00 1.00 N ATOM 342 CA MET A 17 6.104 1.142 -4.549 1.00 1.00 C ATOM 343 C MET A 17 6.696 0.011 -3.729 1.00 1.00 C ATOM 344 O MET A 17 6.177 -1.105 -3.729 1.00 1.00 O ATOM 345 CB MET A 17 5.029 1.867 -3.745 1.00 1.00 C ATOM 346 CG MET A 17 4.567 3.167 -4.380 1.00 1.00 C ATOM 347 SD MET A 17 5.848 4.437 -4.383 1.00 1.00 S ATOM 348 CE MET A 17 6.150 4.615 -2.625 1.00 1.00 C ATOM 0 H MET A 17 4.766 -0.004 -5.684 1.00 1.00 H new ATOM 0 HA MET A 17 6.901 1.845 -4.789 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.170 1.206 -3.624 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.413 2.077 -2.747 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.251 2.973 -5.405 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.694 3.539 -3.843 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.149 5.673 -2.361 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.367 4.101 -2.067 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.118 4.180 -2.376 1.00 1.00 H new ATOM 358 N GLN A 18 7.783 0.306 -3.034 1.00 1.00 N ATOM 359 CA GLN A 18 8.473 -0.689 -2.233 1.00 1.00 C ATOM 360 C GLN A 18 8.339 -0.364 -0.754 1.00 1.00 C ATOM 361 O GLN A 18 8.755 0.703 -0.304 1.00 1.00 O ATOM 362 CB GLN A 18 9.949 -0.748 -2.625 1.00 1.00 C ATOM 363 CG GLN A 18 10.173 -1.071 -4.093 1.00 1.00 C ATOM 364 CD GLN A 18 11.632 -1.006 -4.485 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.129 0.043 -4.891 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.326 -2.127 -4.379 1.00 1.00 N ATOM 0 H GLN A 18 8.208 1.233 -3.010 1.00 1.00 H new ATOM 0 HA GLN A 18 8.018 -1.662 -2.419 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.416 0.210 -2.396 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.449 -1.500 -2.015 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.787 -2.068 -4.305 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.604 -0.372 -4.706 1.00 1.00 H new ATOM 0 HE21 GLN A 18 11.875 -2.976 -4.037 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.312 -2.143 -4.639 1.00 1.00 H new ATOM 375 N PHE A 19 7.747 -1.278 -0.008 1.00 1.00 N ATOM 376 CA PHE A 19 7.569 -1.099 1.425 1.00 1.00 C ATOM 377 C PHE A 19 8.365 -2.160 2.177 1.00 1.00 C ATOM 378 O PHE A 19 8.965 -3.037 1.561 1.00 1.00 O ATOM 379 CB PHE A 19 6.090 -1.214 1.798 1.00 1.00 C ATOM 380 CG PHE A 19 5.169 -0.337 0.992 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.921 0.971 1.376 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.540 -0.829 -0.141 1.00 1.00 C ATOM 383 CE1 PHE A 19 4.065 1.772 0.643 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.683 -0.034 -0.876 1.00 1.00 C ATOM 385 CZ PHE A 19 3.446 1.268 -0.484 1.00 1.00 C ATOM 0 H PHE A 19 7.379 -2.157 -0.371 1.00 1.00 H new ATOM 0 HA PHE A 19 7.927 -0.107 1.700 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.779 -2.252 1.679 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.975 -0.966 2.853 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.402 1.369 2.257 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.722 -1.847 -0.453 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.881 2.790 0.951 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.199 -0.430 -1.756 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.777 1.892 -1.058 1.00 1.00 H new ATOM 395 N GLU A 20 8.365 -2.092 3.496 1.00 1.00 N ATOM 396 CA GLU A 20 9.031 -3.104 4.301 1.00 1.00 C ATOM 397 C GLU A 20 8.004 -4.076 4.866 1.00 1.00 C ATOM 398 O GLU A 20 6.849 -3.707 5.084 1.00 1.00 O ATOM 399 CB GLU A 20 9.833 -2.472 5.448 1.00 1.00 C ATOM 400 CG GLU A 20 11.039 -1.655 5.004 1.00 1.00 C ATOM 401 CD GLU A 20 10.666 -0.329 4.373 1.00 1.00 C ATOM 402 OE1 GLU A 20 10.160 0.553 5.098 1.00 1.00 O ATOM 403 OE2 GLU A 20 10.910 -0.150 3.163 1.00 1.00 O ATOM 0 H GLU A 20 7.914 -1.351 4.032 1.00 1.00 H new ATOM 0 HA GLU A 20 9.728 -3.640 3.656 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.169 -1.830 6.027 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.173 -3.264 6.115 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.682 -1.472 5.865 1.00 1.00 H new ATOM 0 HG3 GLU A 20 11.621 -2.238 4.290 1.00 1.00 H new ATOM 410 N PRO A 21 8.396 -5.339 5.088 1.00 1.00 N ATOM 411 CA PRO A 21 7.516 -6.336 5.708 1.00 1.00 C ATOM 412 C PRO A 21 6.940 -5.859 7.042 1.00 1.00 C ATOM 413 O PRO A 21 5.773 -6.100 7.352 1.00 1.00 O ATOM 414 CB PRO A 21 8.433 -7.539 5.937 1.00 1.00 C ATOM 415 CG PRO A 21 9.545 -7.382 4.957 1.00 1.00 C ATOM 416 CD PRO A 21 9.710 -5.904 4.721 1.00 1.00 C ATOM 0 HA PRO A 21 6.652 -6.551 5.079 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.810 -7.556 6.960 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.899 -8.476 5.778 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.466 -7.817 5.344 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.315 -7.899 4.025 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.509 -5.488 5.334 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.961 -5.691 3.682 1.00 1.00 H new ATOM 424 N SER A 22 7.760 -5.157 7.815 1.00 1.00 N ATOM 425 CA SER A 22 7.374 -4.719 9.149 1.00 1.00 C ATOM 426 C SER A 22 6.529 -3.446 9.114 1.00 1.00 C ATOM 427 O SER A 22 6.045 -2.988 10.151 1.00 1.00 O ATOM 428 CB SER A 22 8.631 -4.495 9.989 1.00 1.00 C ATOM 429 OG SER A 22 9.611 -3.780 9.252 1.00 1.00 O ATOM 0 H SER A 22 8.701 -4.878 7.538 1.00 1.00 H new ATOM 0 HA SER A 22 6.759 -5.500 9.597 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.375 -3.943 10.893 1.00 1.00 H new ATOM 0 HB3 SER A 22 9.037 -5.455 10.306 1.00 1.00 H new ATOM 0 HG SER A 22 10.406 -3.646 9.809 1.00 1.00 H new ATOM 435 N THR A 23 6.349 -2.879 7.929 1.00 1.00 N ATOM 436 CA THR A 23 5.594 -1.646 7.783 1.00 1.00 C ATOM 437 C THR A 23 4.110 -1.863 8.079 1.00 1.00 C ATOM 438 O THR A 23 3.483 -2.780 7.542 1.00 1.00 O ATOM 439 CB THR A 23 5.754 -1.066 6.365 1.00 1.00 C ATOM 440 OG1 THR A 23 7.145 -0.910 6.059 1.00 1.00 O ATOM 441 CG2 THR A 23 5.056 0.278 6.237 1.00 1.00 C ATOM 0 H THR A 23 6.717 -3.255 7.055 1.00 1.00 H new ATOM 0 HA THR A 23 5.995 -0.937 8.507 1.00 1.00 H new ATOM 0 HB THR A 23 5.294 -1.761 5.663 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.281 -0.070 5.573 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.187 0.661 5.225 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.993 0.157 6.444 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.487 0.981 6.950 1.00 1.00 H new ATOM 449 N MET A 24 3.564 -1.028 8.952 1.00 1.00 N ATOM 450 CA MET A 24 2.141 -1.051 9.260 1.00 1.00 C ATOM 451 C MET A 24 1.353 -0.394 8.136 1.00 1.00 C ATOM 452 O MET A 24 1.875 0.458 7.422 1.00 1.00 O ATOM 453 CB MET A 24 1.872 -0.334 10.585 1.00 1.00 C ATOM 454 CG MET A 24 2.332 -1.114 11.807 1.00 1.00 C ATOM 455 SD MET A 24 2.276 -0.139 13.324 1.00 1.00 S ATOM 456 CE MET A 24 3.590 1.037 13.012 1.00 1.00 C ATOM 0 H MET A 24 4.091 -0.320 9.464 1.00 1.00 H new ATOM 0 HA MET A 24 1.820 -2.088 9.355 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.374 0.634 10.573 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.803 -0.138 10.671 1.00 1.00 H new ATOM 0 HG2 MET A 24 1.704 -1.997 11.925 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.351 -1.466 11.645 1.00 1.00 H new ATOM 0 HE1 MET A 24 3.706 1.691 13.876 1.00 1.00 H new ATOM 0 HE2 MET A 24 4.523 0.502 12.834 1.00 1.00 H new ATOM 0 HE3 MET A 24 3.342 1.635 12.135 1.00 1.00 H new ATOM 466 N VAL A 25 0.097 -0.785 7.989 1.00 1.00 N ATOM 467 CA VAL A 25 -0.741 -0.299 6.900 1.00 1.00 C ATOM 468 C VAL A 25 -0.872 1.224 6.910 1.00 1.00 C ATOM 469 O VAL A 25 -0.687 1.869 5.878 1.00 1.00 O ATOM 470 CB VAL A 25 -2.142 -0.941 6.942 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.061 -0.319 5.902 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.035 -2.444 6.727 1.00 1.00 C ATOM 0 H VAL A 25 -0.369 -1.442 8.614 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.244 -0.591 5.975 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.574 -0.754 7.925 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.042 -0.791 5.954 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.161 0.749 6.097 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.639 -0.468 4.908 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.030 -2.888 6.759 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.580 -2.641 5.756 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.418 -2.881 7.512 1.00 1.00 H new ATOM 482 N TYR A 26 -1.167 1.803 8.073 1.00 1.00 N ATOM 483 CA TYR A 26 -1.347 3.252 8.171 1.00 1.00 C ATOM 484 C TYR A 26 -0.034 3.969 7.870 1.00 1.00 C ATOM 485 O TYR A 26 -0.018 5.098 7.379 1.00 1.00 O ATOM 486 CB TYR A 26 -1.865 3.649 9.561 1.00 1.00 C ATOM 487 CG TYR A 26 -0.787 3.846 10.607 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.137 2.764 11.189 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.416 5.124 11.006 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.849 2.953 12.137 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.568 5.319 11.951 1.00 1.00 C ATOM 492 CZ TYR A 26 1.197 4.234 12.514 1.00 1.00 C ATOM 493 OH TYR A 26 2.185 4.432 13.452 1.00 1.00 O ATOM 0 H TYR A 26 -1.286 1.299 8.952 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.091 3.553 7.433 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.437 4.572 9.470 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.554 2.880 9.910 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.407 1.760 10.895 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.908 5.980 10.568 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.345 2.103 12.581 1.00 1.00 H new ATOM 0 HE2 TYR A 26 0.844 6.320 12.248 1.00 1.00 H new ATOM 0 HH TYR A 26 2.306 5.393 13.602 1.00 1.00 H new ATOM 503 N ASP A 27 1.066 3.288 8.155 1.00 1.00 N ATOM 504 CA ASP A 27 2.392 3.840 7.917 1.00 1.00 C ATOM 505 C ASP A 27 2.751 3.720 6.443 1.00 1.00 C ATOM 506 O ASP A 27 3.363 4.614 5.867 1.00 1.00 O ATOM 507 CB ASP A 27 3.430 3.126 8.786 1.00 1.00 C ATOM 508 CG ASP A 27 4.844 3.614 8.535 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.063 4.842 8.501 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.748 2.766 8.394 1.00 1.00 O ATOM 0 H ASP A 27 1.066 2.349 8.553 1.00 1.00 H new ATOM 0 HA ASP A 27 2.388 4.896 8.188 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.181 3.274 9.837 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.381 2.054 8.595 1.00 1.00 H new ATOM 515 N ALA A 28 2.342 2.617 5.831 1.00 1.00 N ATOM 516 CA ALA A 28 2.539 2.413 4.401 1.00 1.00 C ATOM 517 C ALA A 28 1.709 3.414 3.601 1.00 1.00 C ATOM 518 O ALA A 28 2.122 3.864 2.532 1.00 1.00 O ATOM 519 CB ALA A 28 2.182 0.987 4.019 1.00 1.00 C ATOM 0 H ALA A 28 1.870 1.847 6.304 1.00 1.00 H new ATOM 0 HA ALA A 28 3.590 2.578 4.165 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.334 0.848 2.949 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.818 0.293 4.569 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.138 0.795 4.265 1.00 1.00 H new ATOM 525 N CYS A 29 0.538 3.760 4.130 1.00 1.00 N ATOM 526 CA CYS A 29 -0.278 4.823 3.551 1.00 1.00 C ATOM 527 C CYS A 29 0.516 6.125 3.559 1.00 1.00 C ATOM 528 O CYS A 29 0.554 6.863 2.574 1.00 1.00 O ATOM 529 CB CYS A 29 -1.575 5.000 4.349 1.00 1.00 C ATOM 530 SG CYS A 29 -2.620 3.527 4.411 1.00 1.00 S ATOM 0 H CYS A 29 0.134 3.321 4.957 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.537 4.555 2.527 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.323 5.295 5.368 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.147 5.818 3.912 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.983 2.568 5.016 1.00 1.00 H new ATOM 536 N ARG A 30 1.174 6.371 4.684 1.00 1.00 N ATOM 537 CA ARG A 30 2.021 7.538 4.847 1.00 1.00 C ATOM 538 C ARG A 30 3.240 7.459 3.925 1.00 1.00 C ATOM 539 O ARG A 30 3.713 8.476 3.430 1.00 1.00 O ATOM 540 CB ARG A 30 2.420 7.680 6.327 1.00 1.00 C ATOM 541 CG ARG A 30 3.704 8.456 6.580 1.00 1.00 C ATOM 542 CD ARG A 30 4.876 7.508 6.763 1.00 1.00 C ATOM 543 NE ARG A 30 6.142 8.204 6.955 1.00 1.00 N ATOM 544 CZ ARG A 30 7.259 7.593 7.346 1.00 1.00 C ATOM 545 NH1 ARG A 30 7.226 6.311 7.691 1.00 1.00 N ATOM 546 NH2 ARG A 30 8.396 8.270 7.432 1.00 1.00 N ATOM 0 H ARG A 30 1.134 5.767 5.505 1.00 1.00 H new ATOM 0 HA ARG A 30 1.468 8.432 4.558 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.606 8.171 6.861 1.00 1.00 H new ATOM 0 HB3 ARG A 30 2.526 6.683 6.755 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.900 9.127 5.744 1.00 1.00 H new ATOM 0 HG3 ARG A 30 3.590 9.078 7.468 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.686 6.865 7.623 1.00 1.00 H new ATOM 0 HD3 ARG A 30 4.952 6.859 5.890 1.00 1.00 H new ATOM 0 HE ARG A 30 6.174 9.209 6.781 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.346 5.796 7.656 1.00 1.00 H new ATOM 0 HH12 ARG A 30 8.080 5.841 7.991 1.00 1.00 H new ATOM 0 HH21 ARG A 30 8.417 9.263 7.198 1.00 1.00 H new ATOM 0 HH22 ARG A 30 9.249 7.798 7.732 1.00 1.00 H new ATOM 560 N MET A 31 3.729 6.253 3.669 1.00 1.00 N ATOM 561 CA MET A 31 4.869 6.076 2.772 1.00 1.00 C ATOM 562 C MET A 31 4.525 6.526 1.357 1.00 1.00 C ATOM 563 O MET A 31 5.385 7.038 0.638 1.00 1.00 O ATOM 564 CB MET A 31 5.348 4.623 2.761 1.00 1.00 C ATOM 565 CG MET A 31 5.994 4.186 4.064 1.00 1.00 C ATOM 566 SD MET A 31 6.622 2.496 4.001 1.00 1.00 S ATOM 567 CE MET A 31 7.883 2.643 2.736 1.00 1.00 C ATOM 0 H MET A 31 3.360 5.388 4.064 1.00 1.00 H new ATOM 0 HA MET A 31 5.680 6.700 3.148 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.500 3.971 2.549 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.063 4.491 1.949 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.813 4.864 4.304 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.266 4.268 4.871 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.776 2.101 3.048 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.511 2.223 1.801 1.00 1.00 H new ATOM 0 HE3 MET A 31 8.130 3.694 2.588 1.00 1.00 H new ATOM 577 N ILE A 32 3.267 6.348 0.962 1.00 1.00 N ATOM 578 CA ILE A 32 2.821 6.811 -0.346 1.00 1.00 C ATOM 579 C ILE A 32 2.881 8.332 -0.431 1.00 1.00 C ATOM 580 O ILE A 32 3.456 8.875 -1.365 1.00 1.00 O ATOM 581 CB ILE A 32 1.395 6.310 -0.703 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.444 4.846 -1.147 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.773 7.176 -1.789 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.203 4.636 -2.438 1.00 1.00 C ATOM 0 H ILE A 32 2.547 5.892 1.522 1.00 1.00 H new ATOM 0 HA ILE A 32 3.506 6.383 -1.078 1.00 1.00 H new ATOM 0 HB ILE A 32 0.771 6.385 0.188 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.908 4.251 -0.360 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.426 4.476 -1.268 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.225 6.806 -2.022 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.705 8.206 -1.439 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.393 7.137 -2.685 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.199 3.577 -2.694 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.727 5.205 -3.237 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.231 4.975 -2.315 1.00 1.00 H new ATOM 596 N ARG A 33 2.316 9.013 0.560 1.00 1.00 N ATOM 597 CA ARG A 33 2.293 10.473 0.562 1.00 1.00 C ATOM 598 C ARG A 33 3.702 11.056 0.718 1.00 1.00 C ATOM 599 O ARG A 33 3.974 12.163 0.252 1.00 1.00 O ATOM 600 CB ARG A 33 1.329 11.004 1.637 1.00 1.00 C ATOM 601 CG ARG A 33 1.604 10.504 3.048 1.00 1.00 C ATOM 602 CD ARG A 33 2.529 11.434 3.816 1.00 1.00 C ATOM 603 NE ARG A 33 1.857 12.672 4.198 1.00 1.00 N ATOM 604 CZ ARG A 33 2.488 13.802 4.515 1.00 1.00 C ATOM 605 NH1 ARG A 33 3.814 13.856 4.519 1.00 1.00 N ATOM 606 NH2 ARG A 33 1.787 14.874 4.856 1.00 1.00 N ATOM 0 H ARG A 33 1.870 8.581 1.369 1.00 1.00 H new ATOM 0 HA ARG A 33 1.919 10.806 -0.406 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.373 12.093 1.638 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.312 10.727 1.361 1.00 1.00 H new ATOM 0 HG2 ARG A 33 0.662 10.405 3.587 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.049 9.510 2.999 1.00 1.00 H new ATOM 0 HD2 ARG A 33 2.894 10.928 4.710 1.00 1.00 H new ATOM 0 HD3 ARG A 33 3.400 11.667 3.204 1.00 1.00 H new ATOM 0 HE ARG A 33 0.837 12.672 4.224 1.00 1.00 H new ATOM 0 HH11 ARG A 33 4.359 13.028 4.278 1.00 1.00 H new ATOM 0 HH12 ARG A 33 4.288 14.725 4.763 1.00 1.00 H new ATOM 0 HH21 ARG A 33 0.768 14.832 4.875 1.00 1.00 H new ATOM 0 HH22 ARG A 33 2.267 15.741 5.099 1.00 1.00 H new ATOM 620 N GLU A 34 4.591 10.313 1.378 1.00 1.00 N ATOM 621 CA GLU A 34 5.987 10.728 1.519 1.00 1.00 C ATOM 622 C GLU A 34 6.679 10.793 0.159 1.00 1.00 C ATOM 623 O GLU A 34 7.307 11.795 -0.183 1.00 1.00 O ATOM 624 CB GLU A 34 6.759 9.759 2.419 1.00 1.00 C ATOM 625 CG GLU A 34 6.342 9.797 3.876 1.00 1.00 C ATOM 626 CD GLU A 34 6.510 11.165 4.493 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.660 11.557 4.774 1.00 1.00 O ATOM 628 OE2 GLU A 34 5.496 11.852 4.702 1.00 1.00 O ATOM 0 H GLU A 34 4.370 9.422 1.823 1.00 1.00 H new ATOM 0 HA GLU A 34 5.983 11.719 1.972 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.626 8.745 2.041 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.823 9.987 2.351 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.299 9.490 3.960 1.00 1.00 H new ATOM 0 HG3 GLU A 34 6.933 9.074 4.438 1.00 1.00 H new ATOM 635 N ARG A 35 6.551 9.721 -0.611 1.00 1.00 N ATOM 636 CA ARG A 35 7.244 9.603 -1.889 1.00 1.00 C ATOM 637 C ARG A 35 6.447 10.263 -3.005 1.00 1.00 C ATOM 638 O ARG A 35 7.013 10.774 -3.975 1.00 1.00 O ATOM 639 CB ARG A 35 7.473 8.130 -2.227 1.00 1.00 C ATOM 640 CG ARG A 35 8.215 7.365 -1.146 1.00 1.00 C ATOM 641 CD ARG A 35 9.617 7.909 -0.932 1.00 1.00 C ATOM 642 NE ARG A 35 10.320 7.174 0.112 1.00 1.00 N ATOM 643 CZ ARG A 35 11.427 6.464 -0.089 1.00 1.00 C ATOM 644 NH1 ARG A 35 12.005 6.439 -1.284 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.967 5.778 0.909 1.00 1.00 N ATOM 0 H ARG A 35 5.971 8.917 -0.372 1.00 1.00 H new ATOM 0 HA ARG A 35 8.204 10.111 -1.801 1.00 1.00 H new ATOM 0 HB2 ARG A 35 6.509 7.652 -2.402 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.035 8.063 -3.158 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.656 7.422 -0.212 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.272 6.311 -1.420 1.00 1.00 H new ATOM 0 HD2 ARG A 35 10.179 7.847 -1.864 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.562 8.964 -0.662 1.00 1.00 H new ATOM 0 HE ARG A 35 9.939 7.206 1.058 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.601 6.967 -2.057 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.854 5.892 -1.429 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.534 5.794 1.832 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.816 5.234 0.753 1.00 1.00 H new ATOM 659 N ILE A 36 5.136 10.234 -2.867 1.00 1.00 N ATOM 660 CA ILE A 36 4.243 10.803 -3.857 1.00 1.00 C ATOM 661 C ILE A 36 3.306 11.805 -3.195 1.00 1.00 C ATOM 662 O ILE A 36 2.339 11.421 -2.538 1.00 1.00 O ATOM 663 CB ILE A 36 3.399 9.707 -4.551 1.00 1.00 C ATOM 664 CG1 ILE A 36 4.299 8.583 -5.077 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.581 10.305 -5.688 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.534 7.405 -5.642 1.00 1.00 C ATOM 0 H ILE A 36 4.661 9.816 -2.067 1.00 1.00 H new ATOM 0 HA ILE A 36 4.855 11.301 -4.609 1.00 1.00 H new ATOM 0 HB ILE A 36 2.715 9.285 -3.815 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.953 8.985 -5.851 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.940 8.234 -4.268 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.993 9.521 -6.165 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.912 11.069 -5.292 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.251 10.754 -6.421 1.00 1.00 H new ATOM 0 HD11 ILE A 36 4.237 6.650 -5.995 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.900 6.976 -4.866 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.913 7.739 -6.473 1.00 1.00 H new ATOM 678 N PRO A 37 3.568 13.108 -3.368 1.00 1.00 N ATOM 679 CA PRO A 37 2.741 14.167 -2.776 1.00 1.00 C ATOM 680 C PRO A 37 1.414 14.255 -3.496 1.00 1.00 C ATOM 681 O PRO A 37 0.440 14.820 -2.998 1.00 1.00 O ATOM 682 CB PRO A 37 3.564 15.422 -3.050 1.00 1.00 C ATOM 683 CG PRO A 37 4.210 15.102 -4.346 1.00 1.00 C ATOM 684 CD PRO A 37 4.656 13.674 -4.189 1.00 1.00 C ATOM 0 HA PRO A 37 2.517 14.008 -1.721 1.00 1.00 H new ATOM 0 HB2 PRO A 37 2.938 16.312 -3.117 1.00 1.00 H new ATOM 0 HB3 PRO A 37 4.297 15.606 -2.265 1.00 1.00 H new ATOM 0 HG2 PRO A 37 3.514 15.213 -5.177 1.00 1.00 H new ATOM 0 HG3 PRO A 37 5.053 15.764 -4.546 1.00 1.00 H new ATOM 0 HD2 PRO A 37 4.750 13.167 -5.149 1.00 1.00 H new ATOM 0 HD3 PRO A 37 5.624 13.600 -3.693 1.00 1.00 H new ATOM 692 N GLU A 38 1.400 13.665 -4.679 1.00 1.00 N ATOM 693 CA GLU A 38 0.253 13.699 -5.547 1.00 1.00 C ATOM 694 C GLU A 38 -0.909 12.920 -4.930 1.00 1.00 C ATOM 695 O GLU A 38 -2.076 13.225 -5.171 1.00 1.00 O ATOM 696 CB GLU A 38 0.631 13.107 -6.906 1.00 1.00 C ATOM 697 CG GLU A 38 -0.480 13.153 -7.939 1.00 1.00 C ATOM 698 CD GLU A 38 -0.057 12.546 -9.260 1.00 1.00 C ATOM 699 OE1 GLU A 38 0.680 13.216 -10.012 1.00 1.00 O ATOM 700 OE2 GLU A 38 -0.456 11.400 -9.552 1.00 1.00 O ATOM 0 H GLU A 38 2.193 13.148 -5.059 1.00 1.00 H new ATOM 0 HA GLU A 38 -0.066 14.733 -5.680 1.00 1.00 H new ATOM 0 HB2 GLU A 38 1.496 13.645 -7.295 1.00 1.00 H new ATOM 0 HB3 GLU A 38 0.937 12.070 -6.765 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -1.351 12.619 -7.558 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.784 14.188 -8.097 1.00 1.00 H new ATOM 707 N ALA A 39 -0.578 11.921 -4.115 1.00 1.00 N ATOM 708 CA ALA A 39 -1.583 11.052 -3.523 1.00 1.00 C ATOM 709 C ALA A 39 -2.103 11.593 -2.194 1.00 1.00 C ATOM 710 O ALA A 39 -2.854 10.915 -1.493 1.00 1.00 O ATOM 711 CB ALA A 39 -1.008 9.663 -3.338 1.00 1.00 C ATOM 0 H ALA A 39 0.381 11.696 -3.851 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.432 11.011 -4.205 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.762 9.013 -2.894 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.707 9.262 -4.306 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.140 9.713 -2.680 1.00 1.00 H new ATOM 717 N LEU A 40 -1.700 12.810 -1.849 1.00 1.00 N ATOM 718 CA LEU A 40 -2.173 13.448 -0.626 1.00 1.00 C ATOM 719 C LEU A 40 -3.639 13.839 -0.753 1.00 1.00 C ATOM 720 O LEU A 40 -4.501 13.208 -0.142 1.00 1.00 O ATOM 721 CB LEU A 40 -1.315 14.672 -0.295 1.00 1.00 C ATOM 722 CG LEU A 40 -0.016 14.364 0.450 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.960 15.521 0.342 1.00 1.00 C ATOM 724 CD2 LEU A 40 -0.316 14.069 1.909 1.00 1.00 C ATOM 0 H LEU A 40 -1.049 13.373 -2.396 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.083 12.732 0.191 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.071 15.188 -1.223 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.907 15.361 0.307 1.00 1.00 H new ATOM 0 HG LEU A 40 0.444 13.488 -0.008 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.876 15.276 0.880 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.194 15.703 -0.707 1.00 1.00 H new ATOM 0 HD13 LEU A 40 0.513 16.416 0.775 1.00 1.00 H new ATOM 0 HD21 LEU A 40 0.614 13.850 2.435 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -0.795 14.936 2.364 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.982 13.209 1.977 1.00 1.00 H new ATOM 736 N ALA A 41 -3.903 14.870 -1.559 1.00 1.00 N ATOM 737 CA ALA A 41 -5.259 15.369 -1.819 1.00 1.00 C ATOM 738 C ALA A 41 -5.906 15.986 -0.574 1.00 1.00 C ATOM 739 O ALA A 41 -6.216 17.179 -0.558 1.00 1.00 O ATOM 740 CB ALA A 41 -6.142 14.269 -2.397 1.00 1.00 C ATOM 0 H ALA A 41 -3.177 15.387 -2.054 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.165 16.166 -2.557 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.141 14.664 -2.581 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.714 13.914 -3.334 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.203 13.442 -1.690 1.00 1.00 H new ATOM 746 N GLY A 42 -6.107 15.177 0.457 1.00 1.00 N ATOM 747 CA GLY A 42 -6.745 15.649 1.668 1.00 1.00 C ATOM 748 C GLY A 42 -6.181 14.985 2.911 1.00 1.00 C ATOM 749 O GLY A 42 -5.011 14.595 2.929 1.00 1.00 O ATOM 0 H GLY A 42 -5.837 14.194 0.475 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.618 16.729 1.746 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.816 15.457 1.610 1.00 1.00 H new ATOM 753 N PRO A 43 -6.998 14.837 3.965 1.00 1.00 N ATOM 754 CA PRO A 43 -6.558 14.255 5.238 1.00 1.00 C ATOM 755 C PRO A 43 -6.239 12.781 5.137 1.00 1.00 C ATOM 756 O PRO A 43 -6.946 12.013 4.487 1.00 1.00 O ATOM 757 CB PRO A 43 -7.735 14.502 6.180 1.00 1.00 C ATOM 758 CG PRO A 43 -8.920 14.635 5.286 1.00 1.00 C ATOM 759 CD PRO A 43 -8.417 15.232 4.001 1.00 1.00 C ATOM 0 HA PRO A 43 -5.627 14.706 5.582 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -7.860 13.677 6.881 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -7.584 15.404 6.773 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -9.383 13.665 5.108 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -9.679 15.272 5.739 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -8.962 14.846 3.140 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -8.531 16.316 3.991 1.00 1.00 H new ATOM 767 N PRO A 44 -5.160 12.375 5.814 1.00 1.00 N ATOM 768 CA PRO A 44 -4.585 11.052 5.649 1.00 1.00 C ATOM 769 C PRO A 44 -5.528 9.907 6.024 1.00 1.00 C ATOM 770 O PRO A 44 -5.539 8.871 5.363 1.00 1.00 O ATOM 771 CB PRO A 44 -3.352 11.057 6.559 1.00 1.00 C ATOM 772 CG PRO A 44 -3.564 12.185 7.507 1.00 1.00 C ATOM 773 CD PRO A 44 -4.402 13.194 6.777 1.00 1.00 C ATOM 0 HA PRO A 44 -4.356 10.869 4.599 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.252 10.111 7.091 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.438 11.196 5.981 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -4.066 11.844 8.412 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.613 12.619 7.815 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -5.064 13.733 7.455 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -3.786 13.939 6.274 1.00 1.00 H new ATOM 781 N ASN A 45 -6.327 10.091 7.075 1.00 1.00 N ATOM 782 CA ASN A 45 -7.208 9.020 7.554 1.00 1.00 C ATOM 783 C ASN A 45 -8.398 8.827 6.617 1.00 1.00 C ATOM 784 O ASN A 45 -9.133 7.843 6.715 1.00 1.00 O ATOM 785 CB ASN A 45 -7.701 9.309 8.976 1.00 1.00 C ATOM 786 CG ASN A 45 -8.388 8.115 9.624 1.00 1.00 C ATOM 787 OD1 ASN A 45 -9.311 8.276 10.422 1.00 1.00 O ATOM 788 ND2 ASN A 45 -7.936 6.909 9.303 1.00 1.00 N ATOM 0 H ASN A 45 -6.384 10.959 7.607 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.626 8.099 7.568 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -6.855 9.613 9.593 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -8.394 10.150 8.950 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -8.356 6.079 9.722 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -7.169 6.812 8.638 1.00 1.00 H new ATOM 795 N ASP A 46 -8.584 9.765 5.700 1.00 1.00 N ATOM 796 CA ASP A 46 -9.621 9.631 4.688 1.00 1.00 C ATOM 797 C ASP A 46 -9.145 8.723 3.570 1.00 1.00 C ATOM 798 O ASP A 46 -9.920 8.315 2.717 1.00 1.00 O ATOM 799 CB ASP A 46 -10.026 10.992 4.121 1.00 1.00 C ATOM 800 CG ASP A 46 -11.184 11.613 4.874 1.00 1.00 C ATOM 801 OD1 ASP A 46 -10.957 12.204 5.951 1.00 1.00 O ATOM 802 OD2 ASP A 46 -12.330 11.530 4.377 1.00 1.00 O ATOM 0 H ASP A 46 -8.034 10.622 5.636 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.497 9.190 5.163 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.170 11.666 4.157 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.298 10.878 3.072 1.00 1.00 H new ATOM 807 N PHE A 47 -7.862 8.407 3.584 1.00 1.00 N ATOM 808 CA PHE A 47 -7.277 7.516 2.597 1.00 1.00 C ATOM 809 C PHE A 47 -6.797 6.242 3.276 1.00 1.00 C ATOM 810 O PHE A 47 -6.526 6.236 4.479 1.00 1.00 O ATOM 811 CB PHE A 47 -6.113 8.203 1.879 1.00 1.00 C ATOM 812 CG PHE A 47 -6.530 9.380 1.040 1.00 1.00 C ATOM 813 CD1 PHE A 47 -6.807 10.605 1.625 1.00 1.00 C ATOM 814 CD2 PHE A 47 -6.650 9.256 -0.335 1.00 1.00 C ATOM 815 CE1 PHE A 47 -7.197 11.682 0.857 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.040 10.331 -1.109 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.315 11.546 -0.512 1.00 1.00 C ATOM 0 H PHE A 47 -7.199 8.758 4.275 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.036 7.263 1.857 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.386 8.536 2.620 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -5.609 7.475 1.243 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -6.716 10.718 2.695 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.436 8.308 -0.806 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -7.410 12.631 1.326 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.130 10.222 -2.180 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.622 12.388 -1.115 1.00 1.00 H new ATOM 827 N GLY A 48 -6.712 5.161 2.519 1.00 1.00 N ATOM 828 CA GLY A 48 -6.275 3.905 3.086 1.00 1.00 C ATOM 829 C GLY A 48 -5.767 2.942 2.039 1.00 1.00 C ATOM 830 O GLY A 48 -5.770 3.253 0.844 1.00 1.00 O ATOM 0 H GLY A 48 -6.937 5.131 1.525 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.486 4.094 3.814 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.104 3.446 3.625 1.00 1.00 H new ATOM 834 N LEU A 49 -5.336 1.773 2.488 1.00 1.00 N ATOM 835 CA LEU A 49 -4.839 0.746 1.590 1.00 1.00 C ATOM 836 C LEU A 49 -5.903 -0.312 1.356 1.00 1.00 C ATOM 837 O LEU A 49 -6.388 -0.950 2.295 1.00 1.00 O ATOM 838 CB LEU A 49 -3.567 0.107 2.147 1.00 1.00 C ATOM 839 CG LEU A 49 -2.357 1.036 2.214 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.166 0.312 2.809 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.014 1.576 0.835 1.00 1.00 C ATOM 0 H LEU A 49 -5.321 1.513 3.474 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.596 1.215 0.636 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.775 -0.268 3.149 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.311 -0.755 1.531 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.610 1.879 2.858 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.312 0.988 2.850 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.411 -0.024 3.817 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.917 -0.550 2.189 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.149 2.235 0.907 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.783 0.747 0.167 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.864 2.134 0.441 1.00 1.00 H new ATOM 853 N PHE A 50 -6.262 -0.483 0.102 1.00 1.00 N ATOM 854 CA PHE A 50 -7.302 -1.416 -0.283 1.00 1.00 C ATOM 855 C PHE A 50 -6.701 -2.549 -1.102 1.00 1.00 C ATOM 856 O PHE A 50 -6.337 -2.358 -2.260 1.00 1.00 O ATOM 857 CB PHE A 50 -8.377 -0.672 -1.084 1.00 1.00 C ATOM 858 CG PHE A 50 -9.512 -1.527 -1.571 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.488 -1.970 -0.697 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.608 -1.876 -2.909 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.538 -2.745 -1.145 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.656 -2.650 -3.363 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.622 -3.085 -2.481 1.00 1.00 C ATOM 0 H PHE A 50 -5.842 0.020 -0.680 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.762 -1.846 0.606 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.784 0.126 -0.463 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.904 -0.198 -1.944 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.428 -1.706 0.349 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.854 -1.538 -3.604 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.293 -3.085 -0.452 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.719 -2.915 -4.408 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.443 -3.691 -2.834 1.00 1.00 H new ATOM 873 N LEU A 51 -6.562 -3.714 -0.489 1.00 1.00 N ATOM 874 CA LEU A 51 -6.029 -4.875 -1.183 1.00 1.00 C ATOM 875 C LEU A 51 -7.022 -5.324 -2.245 1.00 1.00 C ATOM 876 O LEU A 51 -8.036 -5.944 -1.932 1.00 1.00 O ATOM 877 CB LEU A 51 -5.753 -6.016 -0.197 1.00 1.00 C ATOM 878 CG LEU A 51 -5.181 -7.293 -0.816 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.856 -7.009 -1.507 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.011 -8.367 0.247 1.00 1.00 C ATOM 0 H LEU A 51 -6.811 -3.880 0.486 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.086 -4.604 -1.658 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.058 -5.657 0.562 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.683 -6.265 0.314 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.884 -7.657 -1.565 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.467 -7.930 -1.940 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.008 -6.273 -2.296 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.143 -6.620 -0.780 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.603 -9.269 -0.209 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.329 -8.010 1.019 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.979 -8.592 0.695 1.00 1.00 H new ATOM 892 N SER A 52 -6.744 -4.985 -3.493 1.00 1.00 N ATOM 893 CA SER A 52 -7.680 -5.237 -4.568 1.00 1.00 C ATOM 894 C SER A 52 -7.569 -6.663 -5.094 1.00 1.00 C ATOM 895 O SER A 52 -6.560 -7.346 -4.897 1.00 1.00 O ATOM 896 CB SER A 52 -7.459 -4.227 -5.695 1.00 1.00 C ATOM 897 OG SER A 52 -6.093 -4.154 -6.071 1.00 1.00 O ATOM 0 H SER A 52 -5.876 -4.534 -3.783 1.00 1.00 H new ATOM 0 HA SER A 52 -8.689 -5.119 -4.172 1.00 1.00 H new ATOM 0 HB2 SER A 52 -8.060 -4.508 -6.560 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.802 -3.243 -5.375 1.00 1.00 H new ATOM 0 HG SER A 52 -5.880 -3.240 -6.353 1.00 1.00 H new ATOM 903 N ASP A 53 -8.632 -7.103 -5.745 1.00 1.00 N ATOM 904 CA ASP A 53 -8.682 -8.420 -6.356 1.00 1.00 C ATOM 905 C ASP A 53 -9.415 -8.299 -7.686 1.00 1.00 C ATOM 906 O ASP A 53 -10.246 -9.138 -8.040 1.00 1.00 O ATOM 907 CB ASP A 53 -9.391 -9.404 -5.416 1.00 1.00 C ATOM 908 CG ASP A 53 -9.272 -10.848 -5.865 1.00 1.00 C ATOM 909 OD1 ASP A 53 -8.269 -11.192 -6.523 1.00 1.00 O ATOM 910 OD2 ASP A 53 -10.180 -11.651 -5.556 1.00 1.00 O ATOM 0 H ASP A 53 -9.485 -6.557 -5.865 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.676 -8.801 -6.533 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.972 -9.306 -4.414 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.446 -9.137 -5.348 1.00 1.00 H new ATOM 915 N ASP A 54 -9.083 -7.224 -8.408 1.00 1.00 N ATOM 916 CA ASP A 54 -9.758 -6.831 -9.649 1.00 1.00 C ATOM 917 C ASP A 54 -11.174 -6.342 -9.375 1.00 1.00 C ATOM 918 O ASP A 54 -11.506 -5.191 -9.664 1.00 1.00 O ATOM 919 CB ASP A 54 -9.765 -7.959 -10.685 1.00 1.00 C ATOM 920 CG ASP A 54 -8.434 -8.104 -11.392 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.064 -7.190 -12.167 1.00 1.00 O ATOM 922 OD2 ASP A 54 -7.761 -9.137 -11.202 1.00 1.00 O ATOM 0 H ASP A 54 -8.327 -6.593 -8.143 1.00 1.00 H new ATOM 0 HA ASP A 54 -9.185 -6.005 -10.072 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.016 -8.899 -10.193 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.545 -7.767 -11.422 1.00 1.00 H new ATOM 927 N ASP A 55 -12.003 -7.203 -8.810 1.00 1.00 N ATOM 928 CA ASP A 55 -13.357 -6.819 -8.443 1.00 1.00 C ATOM 929 C ASP A 55 -13.337 -6.068 -7.113 1.00 1.00 C ATOM 930 O ASP A 55 -12.716 -6.521 -6.149 1.00 1.00 O ATOM 931 CB ASP A 55 -14.264 -8.049 -8.350 1.00 1.00 C ATOM 932 CG ASP A 55 -15.703 -7.683 -8.048 1.00 1.00 C ATOM 933 OD1 ASP A 55 -16.035 -7.481 -6.862 1.00 1.00 O ATOM 934 OD2 ASP A 55 -16.511 -7.587 -8.997 1.00 1.00 O ATOM 0 H ASP A 55 -11.764 -8.171 -8.595 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.757 -6.163 -9.216 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -14.221 -8.600 -9.289 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -13.890 -8.715 -7.572 1.00 1.00 H new ATOM 939 N PRO A 56 -14.007 -4.906 -7.049 1.00 1.00 N ATOM 940 CA PRO A 56 -13.998 -4.037 -5.862 1.00 1.00 C ATOM 941 C PRO A 56 -14.576 -4.700 -4.610 1.00 1.00 C ATOM 942 O PRO A 56 -14.265 -4.292 -3.491 1.00 1.00 O ATOM 943 CB PRO A 56 -14.865 -2.841 -6.278 1.00 1.00 C ATOM 944 CG PRO A 56 -15.674 -3.327 -7.431 1.00 1.00 C ATOM 945 CD PRO A 56 -14.816 -4.333 -8.139 1.00 1.00 C ATOM 0 HA PRO A 56 -12.978 -3.774 -5.583 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.505 -2.514 -5.458 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.249 -1.988 -6.561 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.606 -3.778 -7.092 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -15.941 -2.505 -8.095 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.415 -5.094 -8.639 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.193 -3.866 -8.902 1.00 1.00 H new ATOM 953 N LYS A 57 -15.397 -5.725 -4.785 1.00 1.00 N ATOM 954 CA LYS A 57 -16.023 -6.384 -3.647 1.00 1.00 C ATOM 955 C LYS A 57 -15.169 -7.558 -3.176 1.00 1.00 C ATOM 956 O LYS A 57 -15.329 -8.054 -2.060 1.00 1.00 O ATOM 957 CB LYS A 57 -17.434 -6.854 -4.007 1.00 1.00 C ATOM 958 CG LYS A 57 -18.223 -7.375 -2.818 1.00 1.00 C ATOM 959 CD LYS A 57 -19.638 -7.762 -3.206 1.00 1.00 C ATOM 960 CE LYS A 57 -20.451 -8.162 -1.987 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.483 -7.078 -0.969 1.00 1.00 N ATOM 0 H LYS A 57 -15.644 -6.116 -5.694 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.100 -5.665 -2.831 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.979 -6.026 -4.460 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -17.365 -7.640 -4.759 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.713 -8.240 -2.394 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.255 -6.612 -2.041 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -20.121 -6.925 -3.710 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.610 -8.589 -3.915 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -21.469 -8.405 -2.292 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -20.026 -9.064 -1.546 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.299 -7.217 -0.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -19.606 -7.101 -0.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -20.566 -6.157 -1.445 1.00 1.00 H new ATOM 975 N LYS A 58 -14.250 -7.991 -4.028 1.00 1.00 N ATOM 976 CA LYS A 58 -13.329 -9.063 -3.674 1.00 1.00 C ATOM 977 C LYS A 58 -12.141 -8.488 -2.916 1.00 1.00 C ATOM 978 O LYS A 58 -11.345 -9.217 -2.324 1.00 1.00 O ATOM 979 CB LYS A 58 -12.839 -9.798 -4.925 1.00 1.00 C ATOM 980 CG LYS A 58 -13.939 -10.464 -5.740 1.00 1.00 C ATOM 981 CD LYS A 58 -14.635 -11.574 -4.969 1.00 1.00 C ATOM 982 CE LYS A 58 -15.632 -12.308 -5.853 1.00 1.00 C ATOM 983 NZ LYS A 58 -16.472 -13.264 -5.085 1.00 1.00 N ATOM 0 H LYS A 58 -14.122 -7.617 -4.968 1.00 1.00 H new ATOM 0 HA LYS A 58 -13.857 -9.777 -3.041 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -12.310 -9.090 -5.563 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -12.117 -10.557 -4.625 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -14.673 -9.715 -6.036 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -13.513 -10.873 -6.656 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -13.894 -12.277 -4.588 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -15.150 -11.154 -4.105 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -16.275 -11.582 -6.351 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -15.094 -12.846 -6.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -17.135 -13.739 -5.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -15.863 -13.974 -4.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -17.007 -12.749 -4.357 1.00 1.00 H new ATOM 997 N GLY A 59 -12.029 -7.169 -2.946 1.00 1.00 N ATOM 998 CA GLY A 59 -10.955 -6.498 -2.253 1.00 1.00 C ATOM 999 C GLY A 59 -11.330 -6.141 -0.833 1.00 1.00 C ATOM 1000 O GLY A 59 -12.515 -6.087 -0.490 1.00 1.00 O ATOM 0 H GLY A 59 -12.669 -6.549 -3.443 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -10.073 -7.139 -2.244 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.685 -5.592 -2.795 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.326 -5.888 -0.009 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.544 -5.586 1.398 1.00 1.00 C ATOM 1006 C ILE A 60 -9.687 -4.406 1.843 1.00 1.00 C ATOM 1007 O ILE A 60 -8.580 -4.210 1.343 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.222 -6.806 2.289 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.796 -7.304 2.013 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -11.241 -7.916 2.058 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.384 -8.489 2.862 1.00 1.00 C ATOM 0 H ILE A 60 -9.346 -5.886 -0.292 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.598 -5.330 1.510 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.282 -6.504 3.335 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.715 -7.578 0.961 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -8.096 -6.486 2.185 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -11.000 -8.769 2.693 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.238 -7.551 2.303 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -11.214 -8.223 1.013 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.365 -8.782 2.608 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.431 -8.215 3.916 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -9.059 -9.324 2.673 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.204 -3.617 2.774 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.447 -2.509 3.332 1.00 1.00 C ATOM 1025 C TRP A 61 -8.550 -3.015 4.449 1.00 1.00 C ATOM 1026 O TRP A 61 -9.007 -3.719 5.353 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.376 -1.417 3.859 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.120 -0.699 2.785 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.377 -0.978 2.353 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.658 0.409 2.005 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.737 -0.108 1.353 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.698 0.754 1.120 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.471 1.147 1.970 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.584 1.803 0.211 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.362 2.185 1.064 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.409 2.505 0.200 1.00 1.00 C ATOM 0 H TRP A 61 -11.143 -3.724 3.157 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.835 -2.076 2.541 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.092 -1.862 4.550 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.790 -0.696 4.428 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.003 -1.769 2.740 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.632 -0.104 0.864 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.656 0.911 2.638 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.392 2.053 -0.460 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.448 2.759 1.024 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.290 3.325 -0.493 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.279 -2.670 4.383 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.323 -3.147 5.365 1.00 1.00 C ATOM 1049 C LEU A 62 -6.382 -2.286 6.619 1.00 1.00 C ATOM 1050 O LEU A 62 -6.513 -1.062 6.536 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.907 -3.147 4.786 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.744 -3.840 3.431 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -3.271 -4.029 3.113 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -5.471 -5.177 3.403 1.00 1.00 C ATOM 0 H LEU A 62 -6.885 -2.064 3.663 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.584 -4.171 5.630 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.575 -2.114 4.687 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.241 -3.629 5.502 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.191 -3.202 2.669 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.168 -4.523 2.147 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.779 -3.057 3.078 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.808 -4.643 3.886 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.336 -5.644 2.427 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -5.065 -5.828 4.177 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.534 -5.017 3.585 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.298 -2.929 7.775 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.397 -2.231 9.049 1.00 1.00 C ATOM 1068 C GLU A 63 -5.124 -1.447 9.340 1.00 1.00 C ATOM 1069 O GLU A 63 -4.019 -1.953 9.160 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.661 -3.225 10.177 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.914 -4.054 9.975 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.097 -5.097 11.055 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.420 -6.144 10.995 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.916 -4.878 11.969 1.00 1.00 O ATOM 0 H GLU A 63 -6.161 -3.936 7.857 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.229 -1.530 8.986 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.805 -3.893 10.269 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.743 -2.681 11.118 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.783 -3.396 9.959 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.868 -4.546 9.003 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.295 -0.220 9.811 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.182 0.673 10.111 1.00 1.00 C ATOM 1083 C ALA A 64 -3.247 0.070 11.156 1.00 1.00 C ATOM 1084 O ALA A 64 -2.028 0.227 11.072 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.722 2.009 10.598 1.00 1.00 C ATOM 0 H ALA A 64 -6.212 0.187 9.997 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.604 0.820 9.198 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.891 2.677 10.823 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.346 2.454 9.823 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.317 1.855 11.498 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.827 -0.624 12.128 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.041 -1.211 13.199 1.00 1.00 C ATOM 1093 C GLY A 65 -2.406 -2.538 12.821 1.00 1.00 C ATOM 1094 O GLY A 65 -1.760 -3.183 13.648 1.00 1.00 O ATOM 0 H GLY A 65 -4.831 -0.792 12.194 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.258 -0.511 13.491 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.679 -1.357 14.071 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.591 -2.956 11.579 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.985 -4.186 11.095 1.00 1.00 C ATOM 1100 C LYS A 66 -0.822 -3.857 10.168 1.00 1.00 C ATOM 1101 O LYS A 66 -0.726 -2.743 9.656 1.00 1.00 O ATOM 1102 CB LYS A 66 -3.025 -5.048 10.369 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.182 -5.491 11.258 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.713 -6.398 12.385 1.00 1.00 C ATOM 1105 CE LYS A 66 -4.843 -6.737 13.350 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.947 -7.490 12.693 1.00 1.00 N ATOM 0 H LYS A 66 -3.156 -2.462 10.888 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.609 -4.754 11.946 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.422 -4.487 9.523 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.532 -5.931 9.962 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.674 -4.614 11.678 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.924 -6.014 10.655 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.306 -7.318 11.965 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.904 -5.911 12.930 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.446 -7.327 14.176 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.240 -5.816 13.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.658 -7.755 13.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.390 -6.892 11.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -5.565 -8.349 12.249 1.00 1.00 H new ATOM 1120 N ALA A 67 0.071 -4.811 9.973 1.00 1.00 N ATOM 1121 CA ALA A 67 1.224 -4.608 9.110 1.00 1.00 C ATOM 1122 C ALA A 67 0.968 -5.165 7.715 1.00 1.00 C ATOM 1123 O ALA A 67 -0.014 -5.869 7.489 1.00 1.00 O ATOM 1124 CB ALA A 67 2.457 -5.255 9.720 1.00 1.00 C ATOM 0 H ALA A 67 0.021 -5.736 10.401 1.00 1.00 H new ATOM 0 HA ALA A 67 1.396 -3.536 9.019 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.313 -5.096 9.065 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.658 -4.809 10.694 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.285 -6.325 9.839 1.00 1.00 H new ATOM 1130 N LEU A 68 1.854 -4.844 6.783 1.00 1.00 N ATOM 1131 CA LEU A 68 1.753 -5.356 5.422 1.00 1.00 C ATOM 1132 C LEU A 68 2.051 -6.851 5.398 1.00 1.00 C ATOM 1133 O LEU A 68 1.478 -7.602 4.605 1.00 1.00 O ATOM 1134 CB LEU A 68 2.723 -4.612 4.506 1.00 1.00 C ATOM 1135 CG LEU A 68 2.550 -3.093 4.479 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.502 -2.476 3.475 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.111 -2.716 4.156 1.00 1.00 C ATOM 0 H LEU A 68 2.653 -4.230 6.944 1.00 1.00 H new ATOM 0 HA LEU A 68 0.737 -5.195 5.062 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.742 -4.841 4.818 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.607 -4.994 3.492 1.00 1.00 H new ATOM 0 HG LEU A 68 2.785 -2.702 5.469 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.369 -1.394 3.465 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.529 -2.713 3.754 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.294 -2.876 2.483 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.014 -1.630 4.143 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.840 -3.117 3.179 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.447 -3.131 4.915 1.00 1.00 H new ATOM 1149 N ASP A 69 2.947 -7.272 6.288 1.00 1.00 N ATOM 1150 CA ASP A 69 3.280 -8.686 6.452 1.00 1.00 C ATOM 1151 C ASP A 69 2.050 -9.480 6.872 1.00 1.00 C ATOM 1152 O ASP A 69 1.872 -10.632 6.479 1.00 1.00 O ATOM 1153 CB ASP A 69 4.384 -8.846 7.502 1.00 1.00 C ATOM 1154 CG ASP A 69 4.694 -10.296 7.813 1.00 1.00 C ATOM 1155 OD1 ASP A 69 4.066 -10.861 8.733 1.00 1.00 O ATOM 1156 OD2 ASP A 69 5.575 -10.873 7.144 1.00 1.00 O ATOM 0 H ASP A 69 3.459 -6.648 6.912 1.00 1.00 H new ATOM 0 HA ASP A 69 3.635 -9.071 5.496 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.290 -8.354 7.148 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.083 -8.339 8.419 1.00 1.00 H new ATOM 1161 N TYR A 70 1.196 -8.833 7.656 1.00 1.00 N ATOM 1162 CA TYR A 70 -0.034 -9.439 8.151 1.00 1.00 C ATOM 1163 C TYR A 70 -0.875 -9.970 6.998 1.00 1.00 C ATOM 1164 O TYR A 70 -1.426 -11.066 7.067 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.832 -8.395 8.930 1.00 1.00 C ATOM 1166 CG TYR A 70 -2.072 -8.922 9.614 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.002 -9.468 10.886 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -3.314 -8.855 8.995 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.132 -9.936 11.522 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.450 -9.317 9.628 1.00 1.00 C ATOM 1171 CZ TYR A 70 -4.353 -9.858 10.890 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.483 -10.308 11.532 1.00 1.00 O ATOM 0 H TYR A 70 1.337 -7.872 7.967 1.00 1.00 H new ATOM 0 HA TYR A 70 0.223 -10.273 8.804 1.00 1.00 H new ATOM 0 HB2 TYR A 70 -0.182 -7.949 9.682 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -1.123 -7.597 8.247 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -1.047 -9.528 11.387 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.392 -8.435 8.003 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -3.060 -10.362 12.512 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.409 -9.254 9.136 1.00 1.00 H new ATOM 0 HH TYR A 70 -6.262 -10.181 10.951 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.945 -9.193 5.931 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.781 -9.534 4.791 1.00 1.00 C ATOM 1184 C TYR A 71 -0.978 -10.260 3.717 1.00 1.00 C ATOM 1185 O TYR A 71 -1.467 -10.478 2.609 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.419 -8.270 4.223 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.406 -7.619 5.165 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.713 -8.083 5.260 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -3.033 -6.543 5.959 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.619 -7.491 6.119 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.933 -5.944 6.819 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.224 -6.422 6.895 1.00 1.00 C ATOM 1193 OH TYR A 71 -6.125 -5.823 7.745 1.00 1.00 O ATOM 0 H TYR A 71 -0.431 -8.318 5.829 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.567 -10.209 5.128 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.634 -7.554 3.980 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.927 -8.516 3.290 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.025 -8.920 4.653 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -2.022 -6.168 5.903 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.631 -7.864 6.182 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.627 -5.106 7.428 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.729 -5.744 8.638 1.00 1.00 H new ATOM 1203 N MET A 72 0.255 -10.631 4.064 1.00 1.00 N ATOM 1204 CA MET A 72 1.130 -11.394 3.172 1.00 1.00 C ATOM 1205 C MET A 72 1.318 -10.687 1.834 1.00 1.00 C ATOM 1206 O MET A 72 1.245 -11.311 0.775 1.00 1.00 O ATOM 1207 CB MET A 72 0.575 -12.804 2.944 1.00 1.00 C ATOM 1208 CG MET A 72 0.506 -13.646 4.206 1.00 1.00 C ATOM 1209 SD MET A 72 -0.176 -15.291 3.912 1.00 1.00 S ATOM 1210 CE MET A 72 -1.797 -14.874 3.273 1.00 1.00 C ATOM 0 H MET A 72 0.674 -10.412 4.968 1.00 1.00 H new ATOM 0 HA MET A 72 2.103 -11.469 3.657 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.424 -12.726 2.515 1.00 1.00 H new ATOM 0 HB3 MET A 72 1.198 -13.316 2.210 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.506 -13.742 4.628 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.105 -13.132 4.948 1.00 1.00 H new ATOM 0 HE1 MET A 72 -2.531 -15.585 3.652 1.00 1.00 H new ATOM 0 HE2 MET A 72 -2.067 -13.868 3.594 1.00 1.00 H new ATOM 0 HE3 MET A 72 -1.780 -14.915 2.184 1.00 1.00 H new ATOM 1220 N LEU A 73 1.557 -9.384 1.888 1.00 1.00 N ATOM 1221 CA LEU A 73 1.803 -8.611 0.683 1.00 1.00 C ATOM 1222 C LEU A 73 3.200 -8.906 0.158 1.00 1.00 C ATOM 1223 O LEU A 73 4.145 -9.037 0.935 1.00 1.00 O ATOM 1224 CB LEU A 73 1.634 -7.117 0.963 1.00 1.00 C ATOM 1225 CG LEU A 73 0.246 -6.711 1.468 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.174 -5.210 1.679 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.832 -7.162 0.497 1.00 1.00 C ATOM 0 H LEU A 73 1.585 -8.843 2.752 1.00 1.00 H new ATOM 0 HA LEU A 73 1.076 -8.897 -0.077 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.377 -6.814 1.701 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.849 -6.564 0.049 1.00 1.00 H new ATOM 0 HG LEU A 73 0.074 -7.204 2.425 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.819 -4.940 2.038 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.920 -4.910 2.415 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.370 -4.700 0.736 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.810 -6.864 0.875 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.662 -6.700 -0.475 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.798 -8.247 0.394 1.00 1.00 H new ATOM 1239 N ARG A 74 3.321 -9.039 -1.154 1.00 1.00 N ATOM 1240 CA ARG A 74 4.581 -9.423 -1.776 1.00 1.00 C ATOM 1241 C ARG A 74 4.840 -8.581 -3.018 1.00 1.00 C ATOM 1242 O ARG A 74 4.074 -7.669 -3.331 1.00 1.00 O ATOM 1243 CB ARG A 74 4.531 -10.901 -2.165 1.00 1.00 C ATOM 1244 CG ARG A 74 4.186 -11.824 -1.011 1.00 1.00 C ATOM 1245 CD ARG A 74 3.296 -12.963 -1.470 1.00 1.00 C ATOM 1246 NE ARG A 74 2.035 -12.481 -2.036 1.00 1.00 N ATOM 1247 CZ ARG A 74 0.904 -13.183 -2.040 1.00 1.00 C ATOM 1248 NH1 ARG A 74 0.865 -14.389 -1.482 1.00 1.00 N ATOM 1249 NH2 ARG A 74 -0.192 -12.672 -2.588 1.00 1.00 N ATOM 0 H ARG A 74 2.558 -8.886 -1.813 1.00 1.00 H new ATOM 0 HA ARG A 74 5.388 -9.257 -1.063 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.795 -11.034 -2.958 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.498 -11.193 -2.575 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.101 -12.226 -0.577 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.683 -11.258 -0.227 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.824 -13.558 -2.216 1.00 1.00 H new ATOM 0 HD3 ARG A 74 3.087 -13.622 -0.627 1.00 1.00 H new ATOM 0 HE ARG A 74 2.022 -11.550 -2.453 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.703 -14.778 -1.050 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -0.003 -14.925 -1.486 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.167 -11.742 -3.006 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -1.059 -13.210 -2.591 1.00 1.00 H new ATOM 1263 N ASN A 75 5.914 -8.895 -3.724 1.00 1.00 N ATOM 1264 CA ASN A 75 6.236 -8.208 -4.967 1.00 1.00 C ATOM 1265 C ASN A 75 5.280 -8.643 -6.070 1.00 1.00 C ATOM 1266 O ASN A 75 5.188 -9.830 -6.394 1.00 1.00 O ATOM 1267 CB ASN A 75 7.680 -8.499 -5.384 1.00 1.00 C ATOM 1268 CG ASN A 75 8.073 -7.802 -6.677 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.587 -6.717 -6.987 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.957 -8.424 -7.440 1.00 1.00 N ATOM 0 H ASN A 75 6.579 -9.622 -3.458 1.00 1.00 H new ATOM 0 HA ASN A 75 6.129 -7.135 -4.805 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.354 -8.183 -4.587 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.809 -9.575 -5.503 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.257 -8.003 -8.319 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.338 -9.324 -7.149 1.00 1.00 H new ATOM 1277 N GLY A 76 4.557 -7.689 -6.629 1.00 1.00 N ATOM 1278 CA GLY A 76 3.653 -7.991 -7.720 1.00 1.00 C ATOM 1279 C GLY A 76 2.196 -7.881 -7.326 1.00 1.00 C ATOM 1280 O GLY A 76 1.322 -7.804 -8.190 1.00 1.00 O ATOM 0 H GLY A 76 4.578 -6.709 -6.348 1.00 1.00 H new ATOM 0 HA2 GLY A 76 3.852 -7.312 -8.549 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.851 -9.000 -8.081 1.00 1.00 H new ATOM 1284 N ASP A 77 1.930 -7.876 -6.024 1.00 1.00 N ATOM 1285 CA ASP A 77 0.561 -7.758 -5.528 1.00 1.00 C ATOM 1286 C ASP A 77 0.004 -6.374 -5.832 1.00 1.00 C ATOM 1287 O ASP A 77 0.751 -5.396 -5.890 1.00 1.00 O ATOM 1288 CB ASP A 77 0.494 -8.031 -4.019 1.00 1.00 C ATOM 1289 CG ASP A 77 0.641 -9.502 -3.683 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.369 -10.234 -3.739 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.768 -9.940 -3.374 1.00 1.00 O ATOM 0 H ASP A 77 2.640 -7.952 -5.295 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.046 -8.506 -6.038 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.280 -7.468 -3.517 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.457 -7.667 -3.630 1.00 1.00 H new ATOM 1296 N THR A 78 -1.298 -6.296 -6.038 1.00 1.00 N ATOM 1297 CA THR A 78 -1.940 -5.037 -6.371 1.00 1.00 C ATOM 1298 C THR A 78 -2.731 -4.504 -5.180 1.00 1.00 C ATOM 1299 O THR A 78 -3.501 -5.239 -4.558 1.00 1.00 O ATOM 1300 CB THR A 78 -2.885 -5.208 -7.577 1.00 1.00 C ATOM 1301 OG1 THR A 78 -2.221 -5.943 -8.617 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.329 -3.857 -8.117 1.00 1.00 C ATOM 0 H THR A 78 -1.933 -7.092 -5.980 1.00 1.00 H new ATOM 0 HA THR A 78 -1.158 -4.323 -6.629 1.00 1.00 H new ATOM 0 HB THR A 78 -3.766 -5.756 -7.243 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.827 -6.050 -9.380 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.995 -4.006 -8.967 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.855 -3.308 -7.336 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.456 -3.288 -8.435 1.00 1.00 H new ATOM 1310 N MET A 79 -2.527 -3.239 -4.848 1.00 1.00 N ATOM 1311 CA MET A 79 -3.254 -2.622 -3.754 1.00 1.00 C ATOM 1312 C MET A 79 -3.604 -1.185 -4.095 1.00 1.00 C ATOM 1313 O MET A 79 -2.773 -0.437 -4.608 1.00 1.00 O ATOM 1314 CB MET A 79 -2.426 -2.669 -2.477 1.00 1.00 C ATOM 1315 CG MET A 79 -3.199 -2.267 -1.235 1.00 1.00 C ATOM 1316 SD MET A 79 -2.306 -2.653 0.277 1.00 1.00 S ATOM 1317 CE MET A 79 -0.753 -1.833 -0.047 1.00 1.00 C ATOM 0 H MET A 79 -1.866 -2.622 -5.320 1.00 1.00 H new ATOM 0 HA MET A 79 -4.178 -3.179 -3.595 1.00 1.00 H new ATOM 0 HB2 MET A 79 -2.039 -3.679 -2.342 1.00 1.00 H new ATOM 0 HB3 MET A 79 -1.565 -2.010 -2.588 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.407 -1.198 -1.269 1.00 1.00 H new ATOM 0 HG3 MET A 79 -4.161 -2.779 -1.227 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.158 -1.807 0.866 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.209 -2.376 -0.820 1.00 1.00 H new ATOM 0 HE3 MET A 79 -0.943 -0.814 -0.385 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.830 -0.802 -3.806 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.315 0.522 -4.138 1.00 1.00 C ATOM 1329 C GLU A 80 -5.128 1.471 -2.961 1.00 1.00 C ATOM 1330 O GLU A 80 -5.850 1.375 -1.970 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.807 0.471 -4.482 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.253 -0.805 -5.179 1.00 1.00 C ATOM 1333 CD GLU A 80 -6.813 -0.886 -6.622 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -7.470 -0.256 -7.478 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -5.832 -1.601 -6.913 1.00 1.00 O ATOM 0 H GLU A 80 -5.515 -1.395 -3.337 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.745 0.880 -4.996 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.382 0.588 -3.564 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.049 1.321 -5.120 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.856 -1.664 -4.637 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -8.340 -0.874 -5.134 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.151 2.359 -3.036 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.107 3.466 -2.088 1.00 1.00 C ATOM 1344 C TYR A 81 -5.058 4.551 -2.565 1.00 1.00 C ATOM 1345 O TYR A 81 -4.779 5.263 -3.530 1.00 1.00 O ATOM 1346 CB TYR A 81 -2.691 4.033 -1.894 1.00 1.00 C ATOM 1347 CG TYR A 81 -2.662 5.279 -1.032 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -2.731 5.197 0.353 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.577 6.538 -1.609 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -2.712 6.338 1.136 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.558 7.680 -0.834 1.00 1.00 C ATOM 1352 CZ TYR A 81 -2.625 7.576 0.536 1.00 1.00 C ATOM 1353 OH TYR A 81 -2.605 8.714 1.308 1.00 1.00 O ATOM 0 H TYR A 81 -3.396 2.341 -3.722 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.415 3.089 -1.113 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.060 3.269 -1.440 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.262 4.263 -2.869 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -2.801 4.228 0.826 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.525 6.626 -2.684 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -2.765 6.259 2.212 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.491 8.651 -1.301 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.540 9.501 0.728 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.196 4.653 -1.903 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.248 5.560 -2.328 1.00 1.00 C ATOM 1365 C ARG A 82 -8.056 6.036 -1.133 1.00 1.00 C ATOM 1366 O ARG A 82 -7.883 5.536 -0.020 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.165 4.861 -3.338 1.00 1.00 C ATOM 1368 CG ARG A 82 -8.775 3.570 -2.813 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.630 2.879 -3.864 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.777 3.693 -4.268 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.371 3.601 -5.457 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -10.899 2.773 -6.378 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -12.433 4.344 -5.730 1.00 1.00 N ATOM 0 H ARG A 82 -6.417 4.116 -1.064 1.00 1.00 H new ATOM 0 HA ARG A 82 -6.789 6.427 -2.803 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -8.967 5.543 -3.621 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -7.597 4.643 -4.242 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -7.980 2.897 -2.492 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.383 3.787 -1.935 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.018 2.657 -4.739 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.984 1.925 -3.472 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.143 4.371 -3.600 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.077 2.203 -6.178 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.357 2.706 -7.287 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -12.798 4.989 -5.029 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -12.886 4.271 -6.641 1.00 1.00 H new ATOM 1387 N LYS A 83 -8.923 7.009 -1.367 1.00 1.00 N ATOM 1388 CA LYS A 83 -9.789 7.528 -0.323 1.00 1.00 C ATOM 1389 C LYS A 83 -10.807 6.472 0.097 1.00 1.00 C ATOM 1390 O LYS A 83 -11.495 5.886 -0.740 1.00 1.00 O ATOM 1391 CB LYS A 83 -10.499 8.801 -0.797 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.373 9.445 0.267 1.00 1.00 C ATOM 1393 CD LYS A 83 -11.905 10.795 -0.178 1.00 1.00 C ATOM 1394 CE LYS A 83 -12.756 11.438 0.905 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.221 12.796 0.520 1.00 1.00 N ATOM 0 H LYS A 83 -9.045 7.456 -2.276 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.175 7.780 0.542 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -9.751 9.523 -1.126 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.114 8.562 -1.664 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.208 8.784 0.499 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.798 9.566 1.185 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -11.072 11.452 -0.427 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.497 10.674 -1.085 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -13.619 10.805 1.111 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -12.180 11.501 1.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -13.797 13.196 1.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -12.398 13.409 0.349 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -13.793 12.734 -0.346 1.00 1.00 H new ATOM 1409 N LYS A 84 -10.887 6.234 1.394 1.00 1.00 N ATOM 1410 CA LYS A 84 -11.796 5.240 1.940 1.00 1.00 C ATOM 1411 C LYS A 84 -13.017 5.912 2.551 1.00 1.00 C ATOM 1412 O LYS A 84 -12.939 7.047 3.022 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.084 4.381 2.992 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.441 5.177 4.119 1.00 1.00 C ATOM 1415 CD LYS A 84 -9.607 4.281 5.025 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.467 3.274 5.776 1.00 1.00 C ATOM 1417 NZ LYS A 84 -11.180 3.891 6.925 1.00 1.00 N ATOM 0 H LYS A 84 -10.328 6.720 2.095 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.125 4.594 1.126 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -11.802 3.682 3.420 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.316 3.786 2.499 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -9.810 5.961 3.699 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -11.215 5.671 4.706 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -8.865 3.751 4.428 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -9.060 4.896 5.740 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -11.194 2.838 5.091 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -9.839 2.459 6.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -11.753 3.169 7.406 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -10.487 4.285 7.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -11.800 4.652 6.581 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.140 5.215 2.526 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.362 5.719 3.127 1.00 1.00 C ATOM 1433 C GLN A 85 -15.564 5.061 4.484 1.00 1.00 C ATOM 1434 O GLN A 85 -15.992 3.888 4.512 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.572 5.438 2.229 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.441 5.984 0.815 1.00 1.00 C ATOM 1437 CD GLN A 85 -16.221 7.484 0.770 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -15.085 7.958 0.759 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -17.305 8.242 0.741 1.00 1.00 N ATOM 1440 OXT GLN A 85 -15.274 5.705 5.512 1.00 1.00 O ATOM 0 H GLN A 85 -14.230 4.295 2.094 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.272 6.798 3.248 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.729 4.361 2.177 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.461 5.868 2.691 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -15.609 5.486 0.316 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -17.342 5.739 0.253 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -18.229 7.811 0.751 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -17.216 9.258 0.708 1.00 1.00 H new