USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 17 CYS SG : rot -98:sc= -0.189 USER MOD Set 1.2: A 117 MET CE :methyl -172:sc= -0.424 (180deg=-0.322) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.0634 K(o=-0.22,f=-1.8) USER MOD Set 2.2: A 97 HIS : no HD1:sc= -0.155 K(o=-0.22,f=-2.4) USER MOD Set 3.1: A 29 HIS : no HD1:sc= -2.67! K(o=-2.3!,f=-3.7) USER MOD Set 3.2: A 32 TYR OH : rot -31:sc= 0.323 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.405 K(o=-0.41,f=-1.1) USER MOD Single : A 16 TYR OH : rot -38:sc= 0.0319 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -131:sc= 0 (180deg=-0.196) USER MOD Single : A 26 SER OG : rot -142:sc= 0.0819 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -0.355 (180deg=-1.89!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.504 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.365 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= -1.65! (180deg=-4.3!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=-0.11) USER MOD Single : A 58 MET CE :methyl -153:sc= -0.133 (180deg=-1.16) USER MOD Single : A 61 SER OG : rot 180:sc=-0.000978 USER MOD Single : A 62 THR OG1 : rot 116:sc= 1.09 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.415) USER MOD Single : A 67 MET CE :methyl -119:sc= -3.61 (180deg=-10.8!) USER MOD Single : A 72 TYR OH : rot -117:sc= -0.749 USER MOD Single : A 76 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3.6!) USER MOD Single : A 85 MET CE :methyl -153:sc= -0.207 (180deg=-2.22!) USER MOD Single : A 87 SER OG : rot -54:sc= 1.08 USER MOD Single : A 88 ASN : amide:sc= -8.22! C(o=-8.2!,f=-9.6!) USER MOD Single : A 89 CYS SG : rot -9:sc= -0.364 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -2.57! (180deg=-3.77!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -134:sc= -1.19 (180deg=-4.75!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl 164:sc= -0.0115 (180deg=-0.345) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -3.727 18.074 5.789 1.00 0.00 N ATOM 115 CA SER A 11 -4.513 18.488 4.632 1.00 0.00 C ATOM 116 C SER A 11 -5.968 18.054 4.781 1.00 0.00 C ATOM 117 O SER A 11 -6.252 16.902 5.107 1.00 0.00 O ATOM 118 CB SER A 11 -3.921 17.900 3.350 1.00 0.00 C ATOM 119 OG SER A 11 -4.342 18.632 2.212 1.00 0.00 O ATOM 0 HA SER A 11 -4.481 19.576 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.833 17.910 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.226 16.858 3.249 1.00 0.00 H new ATOM 0 HG SER A 11 -3.949 18.238 1.406 1.00 0.00 H new ATOM 125 N GLU A 12 -6.884 18.986 4.539 1.00 0.00 N ATOM 126 CA GLU A 12 -8.310 18.700 4.647 1.00 0.00 C ATOM 127 C GLU A 12 -8.611 17.267 4.219 1.00 0.00 C ATOM 128 O GLU A 12 -9.397 16.568 4.860 1.00 0.00 O ATOM 129 CB GLU A 12 -9.115 19.680 3.791 1.00 0.00 C ATOM 130 CG GLU A 12 -8.682 19.714 2.335 1.00 0.00 C ATOM 131 CD GLU A 12 -9.616 20.535 1.467 1.00 0.00 C ATOM 132 OE1 GLU A 12 -9.812 21.730 1.770 1.00 0.00 O ATOM 133 OE2 GLU A 12 -10.152 19.981 0.484 1.00 0.00 O ATOM 0 H GLU A 12 -6.665 19.944 4.267 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.601 18.817 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.170 19.411 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.020 20.681 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.675 20.126 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.636 18.695 1.950 1.00 0.00 H new ATOM 140 N HIS A 13 -7.981 16.836 3.131 1.00 0.00 N ATOM 141 CA HIS A 13 -8.181 15.485 2.616 1.00 0.00 C ATOM 142 C HIS A 13 -7.447 14.462 3.477 1.00 0.00 C ATOM 143 O HIS A 13 -8.020 13.449 3.880 1.00 0.00 O ATOM 144 CB HIS A 13 -7.698 15.392 1.169 1.00 0.00 C ATOM 145 CG HIS A 13 -8.403 16.332 0.240 1.00 0.00 C ATOM 146 ND1 HIS A 13 -7.754 17.044 -0.747 1.00 0.00 N ATOM 147 CD2 HIS A 13 -9.710 16.674 0.150 1.00 0.00 C ATOM 148 CE1 HIS A 13 -8.631 17.784 -1.401 1.00 0.00 C ATOM 149 NE2 HIS A 13 -9.825 17.577 -0.877 1.00 0.00 N ATOM 0 H HIS A 13 -7.328 17.402 2.589 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.248 15.263 2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.628 15.598 1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.836 14.371 0.813 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.513 16.305 0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.409 18.446 -2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.692 18.017 -1.185 1.00 0.00 H new ATOM 157 N LEU A 14 -6.177 14.732 3.755 1.00 0.00 N ATOM 158 CA LEU A 14 -5.363 13.834 4.567 1.00 0.00 C ATOM 159 C LEU A 14 -6.110 13.415 5.830 1.00 0.00 C ATOM 160 O LEU A 14 -6.194 12.229 6.149 1.00 0.00 O ATOM 161 CB LEU A 14 -4.043 14.509 4.943 1.00 0.00 C ATOM 162 CG LEU A 14 -2.884 14.307 3.966 1.00 0.00 C ATOM 163 CD1 LEU A 14 -1.656 15.075 4.428 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.564 12.826 3.817 1.00 0.00 C ATOM 0 H LEU A 14 -5.688 15.566 3.430 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.153 12.942 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.222 15.579 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.735 14.141 5.922 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.184 14.694 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.842 14.919 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.891 16.138 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.354 14.719 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.737 12.701 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.285 12.415 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.441 12.301 3.439 1.00 0.00 H new ATOM 176 N ARG A 15 -6.653 14.396 6.543 1.00 0.00 N ATOM 177 CA ARG A 15 -7.395 14.130 7.769 1.00 0.00 C ATOM 178 C ARG A 15 -8.246 12.871 7.627 1.00 0.00 C ATOM 179 O ARG A 15 -8.013 11.872 8.307 1.00 0.00 O ATOM 180 CB ARG A 15 -8.284 15.323 8.123 1.00 0.00 C ATOM 181 CG ARG A 15 -7.525 16.635 8.240 1.00 0.00 C ATOM 182 CD ARG A 15 -8.464 17.798 8.522 1.00 0.00 C ATOM 183 NE ARG A 15 -9.523 17.901 7.522 1.00 0.00 N ATOM 184 CZ ARG A 15 -10.388 18.908 7.468 1.00 0.00 C ATOM 185 NH1 ARG A 15 -10.318 19.893 8.353 1.00 0.00 N ATOM 186 NH2 ARG A 15 -11.324 18.931 6.528 1.00 0.00 N ATOM 0 H ARG A 15 -6.593 15.383 6.292 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.675 13.973 8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.058 15.427 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.790 15.121 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.787 16.560 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.977 16.824 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.909 17.674 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.894 18.727 8.544 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.603 17.159 6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.599 19.878 9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.983 20.665 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.380 18.175 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.987 19.705 6.488 1.00 0.00 H new ATOM 200 N TYR A 16 -9.233 12.928 6.741 1.00 0.00 N ATOM 201 CA TYR A 16 -10.121 11.795 6.512 1.00 0.00 C ATOM 202 C TYR A 16 -9.335 10.571 6.050 1.00 0.00 C ATOM 203 O TYR A 16 -9.582 9.453 6.505 1.00 0.00 O ATOM 204 CB TYR A 16 -11.184 12.154 5.472 1.00 0.00 C ATOM 205 CG TYR A 16 -12.041 10.982 5.052 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.540 9.994 4.213 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.352 10.861 5.495 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.320 8.922 3.826 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.139 9.791 5.114 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.619 8.825 4.279 1.00 0.00 C ATOM 211 OH TYR A 16 -14.399 7.757 3.897 1.00 0.00 O ATOM 0 H TYR A 16 -9.439 13.747 6.169 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.612 11.555 7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.826 12.936 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.693 12.568 4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.523 10.066 3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.763 11.616 6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.915 8.164 3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.156 9.712 5.468 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.213 7.535 2.961 1.00 0.00 H new ATOM 221 N CYS A 17 -8.387 10.792 5.146 1.00 0.00 N ATOM 222 CA CYS A 17 -7.564 9.708 4.622 1.00 0.00 C ATOM 223 C CYS A 17 -6.936 8.905 5.756 1.00 0.00 C ATOM 224 O CYS A 17 -6.859 7.678 5.692 1.00 0.00 O ATOM 225 CB CYS A 17 -6.470 10.266 3.711 1.00 0.00 C ATOM 226 SG CYS A 17 -7.044 10.712 2.055 1.00 0.00 S ATOM 0 H CYS A 17 -8.169 11.711 4.761 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.206 9.044 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.034 11.147 4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.675 9.526 3.621 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.779 9.744 1.229 1.00 0.00 H new ATOM 232 N ASP A 18 -6.489 9.604 6.793 1.00 0.00 N ATOM 233 CA ASP A 18 -5.867 8.956 7.942 1.00 0.00 C ATOM 234 C ASP A 18 -6.673 7.737 8.379 1.00 0.00 C ATOM 235 O ASP A 18 -6.109 6.724 8.794 1.00 0.00 O ATOM 236 CB ASP A 18 -5.741 9.943 9.104 1.00 0.00 C ATOM 237 CG ASP A 18 -4.950 9.371 10.265 1.00 0.00 C ATOM 238 OD1 ASP A 18 -5.533 8.600 11.056 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.750 9.696 10.383 1.00 0.00 O ATOM 0 H ASP A 18 -6.546 10.620 6.862 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.871 8.625 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.257 10.854 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.736 10.223 9.449 1.00 0.00 H new ATOM 244 N SER A 19 -7.994 7.841 8.284 1.00 0.00 N ATOM 245 CA SER A 19 -8.877 6.748 8.674 1.00 0.00 C ATOM 246 C SER A 19 -8.845 5.628 7.639 1.00 0.00 C ATOM 247 O SER A 19 -8.690 4.456 7.983 1.00 0.00 O ATOM 248 CB SER A 19 -10.310 7.259 8.846 1.00 0.00 C ATOM 249 OG SER A 19 -10.343 8.422 9.655 1.00 0.00 O ATOM 0 H SER A 19 -8.477 8.671 7.940 1.00 0.00 H new ATOM 0 HA SER A 19 -8.524 6.350 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.741 7.479 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.925 6.481 9.297 1.00 0.00 H new ATOM 0 HG SER A 19 -11.269 8.730 9.748 1.00 0.00 H new ATOM 255 N ILE A 20 -8.993 5.997 6.372 1.00 0.00 N ATOM 256 CA ILE A 20 -8.980 5.024 5.287 1.00 0.00 C ATOM 257 C ILE A 20 -7.942 3.936 5.537 1.00 0.00 C ATOM 258 O ILE A 20 -8.108 2.794 5.106 1.00 0.00 O ATOM 259 CB ILE A 20 -8.688 5.696 3.932 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.686 6.826 3.672 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.737 4.669 2.810 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.510 7.489 2.324 1.00 0.00 C ATOM 0 H ILE A 20 -9.123 6.963 6.071 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.972 4.575 5.254 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.686 6.123 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.699 6.429 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.583 7.578 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.529 5.159 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.990 3.896 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.727 4.215 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.251 8.280 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.509 7.916 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.643 6.749 1.535 1.00 0.00 H new ATOM 274 N LEU A 21 -6.872 4.296 6.237 1.00 0.00 N ATOM 275 CA LEU A 21 -5.806 3.350 6.547 1.00 0.00 C ATOM 276 C LEU A 21 -6.168 2.501 7.761 1.00 0.00 C ATOM 277 O LEU A 21 -6.034 1.277 7.738 1.00 0.00 O ATOM 278 CB LEU A 21 -4.495 4.094 6.804 1.00 0.00 C ATOM 279 CG LEU A 21 -3.330 3.246 7.314 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.036 2.107 6.349 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.092 4.107 7.518 1.00 0.00 C ATOM 0 H LEU A 21 -6.720 5.237 6.601 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.679 2.690 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.187 4.578 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.686 4.886 7.528 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.612 2.817 8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.204 1.514 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.918 1.474 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.775 2.515 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.273 3.486 7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.807 4.565 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.308 4.887 8.248 1.00 0.00 H new ATOM 293 N ARG A 22 -6.630 3.158 8.820 1.00 0.00 N ATOM 294 CA ARG A 22 -7.013 2.463 10.043 1.00 0.00 C ATOM 295 C ARG A 22 -8.069 1.400 9.757 1.00 0.00 C ATOM 296 O ARG A 22 -8.122 0.369 10.427 1.00 0.00 O ATOM 297 CB ARG A 22 -7.543 3.459 11.076 1.00 0.00 C ATOM 298 CG ARG A 22 -9.047 3.668 11.004 1.00 0.00 C ATOM 299 CD ARG A 22 -9.546 4.526 12.156 1.00 0.00 C ATOM 300 NE ARG A 22 -10.949 4.899 11.993 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.705 5.363 12.982 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.197 5.510 14.197 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.973 5.681 12.755 1.00 0.00 N ATOM 0 H ARG A 22 -6.748 4.171 8.856 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.127 1.971 10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.281 3.109 12.074 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.044 4.418 10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.305 4.143 10.057 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.551 2.702 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.422 3.983 13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.937 5.427 12.227 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.371 4.798 11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.223 5.267 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.780 5.867 14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.367 5.569 11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.553 6.037 13.514 1.00 0.00 H new ATOM 317 N GLU A 23 -8.907 1.659 8.759 1.00 0.00 N ATOM 318 CA GLU A 23 -9.963 0.725 8.385 1.00 0.00 C ATOM 319 C GLU A 23 -9.380 -0.510 7.703 1.00 0.00 C ATOM 320 O GLU A 23 -9.673 -1.641 8.088 1.00 0.00 O ATOM 321 CB GLU A 23 -10.972 1.404 7.458 1.00 0.00 C ATOM 322 CG GLU A 23 -11.733 0.434 6.571 1.00 0.00 C ATOM 323 CD GLU A 23 -12.717 -0.419 7.347 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.275 -1.161 8.250 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.928 -0.344 7.053 1.00 0.00 O ATOM 0 H GLU A 23 -8.876 2.508 8.194 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.473 0.410 9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.684 1.967 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.448 2.123 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.269 0.993 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.024 -0.214 6.056 1.00 0.00 H new ATOM 332 N MET A 24 -8.553 -0.282 6.687 1.00 0.00 N ATOM 333 CA MET A 24 -7.929 -1.375 5.952 1.00 0.00 C ATOM 334 C MET A 24 -7.146 -2.286 6.892 1.00 0.00 C ATOM 335 O MET A 24 -6.937 -3.465 6.600 1.00 0.00 O ATOM 336 CB MET A 24 -7.001 -0.824 4.867 1.00 0.00 C ATOM 337 CG MET A 24 -7.737 -0.128 3.734 1.00 0.00 C ATOM 338 SD MET A 24 -6.863 -0.248 2.161 1.00 0.00 S ATOM 339 CE MET A 24 -5.413 0.746 2.503 1.00 0.00 C ATOM 0 H MET A 24 -8.300 0.649 6.355 1.00 0.00 H new ATOM 0 HA MET A 24 -8.719 -1.961 5.482 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.302 -0.122 5.321 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.409 -1.642 4.456 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.730 -0.565 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.877 0.923 3.988 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.263 1.461 1.694 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.553 1.283 3.441 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.539 0.099 2.582 1.00 0.00 H new ATOM 349 N LEU A 25 -6.716 -1.734 8.021 1.00 0.00 N ATOM 350 CA LEU A 25 -5.955 -2.498 9.004 1.00 0.00 C ATOM 351 C LEU A 25 -6.877 -3.089 10.066 1.00 0.00 C ATOM 352 O LEU A 25 -6.457 -3.347 11.194 1.00 0.00 O ATOM 353 CB LEU A 25 -4.902 -1.607 9.666 1.00 0.00 C ATOM 354 CG LEU A 25 -3.569 -1.483 8.928 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.805 -0.258 9.408 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.734 -2.741 9.118 1.00 0.00 C ATOM 0 H LEU A 25 -6.881 -0.761 8.279 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.456 -3.317 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.323 -0.609 9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.706 -1.992 10.667 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.775 -1.365 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.859 -0.186 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.398 0.637 9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.610 -0.346 10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.789 -2.634 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.537 -2.890 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.277 -3.601 8.725 1.00 0.00 H new ATOM 368 N SER A 26 -8.136 -3.304 9.696 1.00 0.00 N ATOM 369 CA SER A 26 -9.118 -3.864 10.617 1.00 0.00 C ATOM 370 C SER A 26 -9.200 -5.380 10.467 1.00 0.00 C ATOM 371 O SER A 26 -9.119 -5.912 9.360 1.00 0.00 O ATOM 372 CB SER A 26 -10.493 -3.240 10.370 1.00 0.00 C ATOM 373 OG SER A 26 -11.177 -3.911 9.325 1.00 0.00 O ATOM 0 H SER A 26 -8.499 -3.099 8.765 1.00 0.00 H new ATOM 0 HA SER A 26 -8.800 -3.634 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.085 -3.284 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.377 -2.186 10.116 1.00 0.00 H new ATOM 0 HG SER A 26 -11.668 -3.258 8.783 1.00 0.00 H new ATOM 379 N LYS A 27 -9.363 -6.071 11.590 1.00 0.00 N ATOM 380 CA LYS A 27 -9.458 -7.526 11.587 1.00 0.00 C ATOM 381 C LYS A 27 -10.292 -8.014 10.406 1.00 0.00 C ATOM 382 O LYS A 27 -9.897 -8.937 9.693 1.00 0.00 O ATOM 383 CB LYS A 27 -10.073 -8.020 12.898 1.00 0.00 C ATOM 384 CG LYS A 27 -9.049 -8.275 13.991 1.00 0.00 C ATOM 385 CD LYS A 27 -8.278 -9.560 13.744 1.00 0.00 C ATOM 386 CE LYS A 27 -6.990 -9.601 14.552 1.00 0.00 C ATOM 387 NZ LYS A 27 -6.217 -10.850 14.303 1.00 0.00 N ATOM 0 H LYS A 27 -9.432 -5.646 12.515 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.451 -7.931 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.794 -7.283 13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.625 -8.940 12.707 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.354 -7.437 14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.552 -8.331 14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.901 -10.415 14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.046 -9.648 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.375 -8.737 14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.225 -9.525 15.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.347 -10.839 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.794 -11.674 14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.970 -10.910 13.294 1.00 0.00 H new ATOM 401 N LYS A 28 -11.447 -7.389 10.205 1.00 0.00 N ATOM 402 CA LYS A 28 -12.336 -7.757 9.109 1.00 0.00 C ATOM 403 C LYS A 28 -11.561 -7.894 7.802 1.00 0.00 C ATOM 404 O LYS A 28 -11.534 -8.964 7.194 1.00 0.00 O ATOM 405 CB LYS A 28 -13.443 -6.713 8.951 1.00 0.00 C ATOM 406 CG LYS A 28 -14.377 -6.989 7.785 1.00 0.00 C ATOM 407 CD LYS A 28 -14.937 -5.702 7.203 1.00 0.00 C ATOM 408 CE LYS A 28 -16.118 -5.191 8.013 1.00 0.00 C ATOM 409 NZ LYS A 28 -15.695 -4.669 9.342 1.00 0.00 N ATOM 0 H LYS A 28 -11.790 -6.625 10.787 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.785 -8.721 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.026 -6.672 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.989 -5.731 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.841 -7.537 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.197 -7.626 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.156 -4.942 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.248 -5.873 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.625 -4.402 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.839 -5.997 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.302 -3.869 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.781 -5.422 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.706 -4.351 9.291 1.00 0.00 H new ATOM 423 N HIS A 29 -10.930 -6.804 7.377 1.00 0.00 N ATOM 424 CA HIS A 29 -10.152 -6.804 6.143 1.00 0.00 C ATOM 425 C HIS A 29 -8.913 -7.683 6.281 1.00 0.00 C ATOM 426 O HIS A 29 -8.443 -8.268 5.306 1.00 0.00 O ATOM 427 CB HIS A 29 -9.742 -5.378 5.774 1.00 0.00 C ATOM 428 CG HIS A 29 -10.898 -4.494 5.418 1.00 0.00 C ATOM 429 ND1 HIS A 29 -11.987 -4.934 4.696 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.132 -3.190 5.692 1.00 0.00 C ATOM 431 CE1 HIS A 29 -12.840 -3.938 4.538 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.345 -2.868 5.134 1.00 0.00 N ATOM 0 H HIS A 29 -10.942 -5.910 7.868 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.777 -7.211 5.349 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.202 -4.936 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.050 -5.414 4.932 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.485 -2.526 6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.782 -3.990 4.011 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.791 -1.952 5.173 1.00 0.00 H new ATOM 440 N ALA A 30 -8.388 -7.770 7.499 1.00 0.00 N ATOM 441 CA ALA A 30 -7.205 -8.578 7.765 1.00 0.00 C ATOM 442 C ALA A 30 -7.197 -9.839 6.907 1.00 0.00 C ATOM 443 O ALA A 30 -6.203 -10.150 6.253 1.00 0.00 O ATOM 444 CB ALA A 30 -7.134 -8.941 9.241 1.00 0.00 C ATOM 0 H ALA A 30 -8.764 -7.290 8.317 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.326 -7.988 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.245 -9.545 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.084 -8.030 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.022 -9.509 9.519 1.00 0.00 H new ATOM 450 N ALA A 31 -8.313 -10.562 6.916 1.00 0.00 N ATOM 451 CA ALA A 31 -8.434 -11.788 6.138 1.00 0.00 C ATOM 452 C ALA A 31 -7.814 -11.624 4.754 1.00 0.00 C ATOM 453 O ALA A 31 -7.010 -12.450 4.322 1.00 0.00 O ATOM 454 CB ALA A 31 -9.896 -12.195 6.019 1.00 0.00 C ATOM 0 H ALA A 31 -9.145 -10.319 7.453 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.890 -12.575 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.972 -13.112 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.309 -12.362 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.455 -11.402 5.523 1.00 0.00 H new ATOM 460 N TYR A 32 -8.194 -10.555 4.064 1.00 0.00 N ATOM 461 CA TYR A 32 -7.678 -10.285 2.728 1.00 0.00 C ATOM 462 C TYR A 32 -6.886 -8.981 2.703 1.00 0.00 C ATOM 463 O TYR A 32 -6.780 -8.326 1.667 1.00 0.00 O ATOM 464 CB TYR A 32 -8.825 -10.217 1.719 1.00 0.00 C ATOM 465 CG TYR A 32 -10.057 -9.519 2.249 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.154 -8.133 2.237 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.125 -10.246 2.761 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.278 -7.492 2.721 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.253 -9.613 3.246 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.324 -8.236 3.224 1.00 0.00 C ATOM 471 OH TYR A 32 -13.446 -7.600 3.706 1.00 0.00 O ATOM 0 H TYR A 32 -8.858 -9.861 4.408 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.009 -11.101 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.480 -9.698 0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.093 -11.230 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.337 -7.547 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.072 -11.325 2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.337 -6.414 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.074 -10.193 3.640 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.194 -6.730 4.080 1.00 0.00 H new ATOM 481 N ALA A 33 -6.331 -8.611 3.853 1.00 0.00 N ATOM 482 CA ALA A 33 -5.547 -7.388 3.964 1.00 0.00 C ATOM 483 C ALA A 33 -4.256 -7.632 4.738 1.00 0.00 C ATOM 484 O ALA A 33 -3.491 -6.703 4.997 1.00 0.00 O ATOM 485 CB ALA A 33 -6.366 -6.294 4.632 1.00 0.00 C ATOM 0 H ALA A 33 -6.410 -9.141 4.721 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.281 -7.064 2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.767 -5.386 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.257 -6.092 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.661 -6.618 5.630 1.00 0.00 H new ATOM 491 N TRP A 34 -4.020 -8.886 5.105 1.00 0.00 N ATOM 492 CA TRP A 34 -2.820 -9.252 5.850 1.00 0.00 C ATOM 493 C TRP A 34 -1.619 -9.379 4.920 1.00 0.00 C ATOM 494 O TRP A 34 -0.474 -9.143 5.305 1.00 0.00 O ATOM 495 CB TRP A 34 -3.042 -10.566 6.600 1.00 0.00 C ATOM 496 CG TRP A 34 -3.186 -11.751 5.693 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.342 -12.410 5.383 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.138 -12.417 4.981 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.075 -13.446 4.521 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.731 -13.471 4.259 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.758 -12.225 4.882 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.989 -14.329 3.451 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.023 -13.077 4.080 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.639 -14.118 3.372 1.00 0.00 C ATOM 0 H TRP A 34 -4.643 -9.667 4.899 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.614 -8.461 6.571 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.205 -10.735 7.277 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.937 -10.478 7.216 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.321 -12.154 5.760 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.766 -14.092 4.138 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.274 -11.425 5.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.462 -15.132 2.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.045 -12.938 3.997 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.037 -14.766 2.752 1.00 0.00 H new ATOM 515 N PRO A 35 -1.881 -9.763 3.662 1.00 0.00 N ATOM 516 CA PRO A 35 -0.751 -9.896 2.738 1.00 0.00 C ATOM 517 C PRO A 35 0.176 -8.686 2.778 1.00 0.00 C ATOM 518 O PRO A 35 1.343 -8.772 2.393 1.00 0.00 O ATOM 519 CB PRO A 35 -1.424 -10.009 1.368 1.00 0.00 C ATOM 520 CG PRO A 35 -2.776 -10.566 1.655 1.00 0.00 C ATOM 521 CD PRO A 35 -3.166 -10.087 3.020 1.00 0.00 C ATOM 0 HA PRO A 35 -0.118 -10.747 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.492 -9.037 0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.860 -10.662 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.497 -10.232 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.760 -11.655 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.817 -9.214 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.707 -10.855 3.573 1.00 0.00 H new ATOM 529 N PHE A 36 -0.349 -7.559 3.246 1.00 0.00 N ATOM 530 CA PHE A 36 0.432 -6.331 3.336 1.00 0.00 C ATOM 531 C PHE A 36 0.546 -5.863 4.784 1.00 0.00 C ATOM 532 O PHE A 36 0.386 -4.679 5.080 1.00 0.00 O ATOM 533 CB PHE A 36 -0.206 -5.233 2.483 1.00 0.00 C ATOM 534 CG PHE A 36 -0.740 -5.728 1.169 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.971 -6.361 1.102 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.012 -5.561 0.002 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.465 -6.819 -0.105 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.501 -6.016 -1.208 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.729 -6.645 -1.262 1.00 0.00 C ATOM 0 H PHE A 36 -1.312 -7.470 3.569 1.00 0.00 H new ATOM 0 HA PHE A 36 1.434 -6.539 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.018 -4.773 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.533 -4.454 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.551 -6.498 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.949 -5.069 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.425 -7.312 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.077 -5.880 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.114 -7.000 -2.207 1.00 0.00 H new ATOM 549 N TYR A 37 0.823 -6.802 5.682 1.00 0.00 N ATOM 550 CA TYR A 37 0.956 -6.488 7.100 1.00 0.00 C ATOM 551 C TYR A 37 2.416 -6.557 7.539 1.00 0.00 C ATOM 552 O TYR A 37 2.925 -5.645 8.190 1.00 0.00 O ATOM 553 CB TYR A 37 0.114 -7.451 7.938 1.00 0.00 C ATOM 554 CG TYR A 37 -1.289 -6.953 8.206 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.015 -6.298 7.219 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.887 -7.136 9.447 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.296 -5.840 7.460 1.00 0.00 C ATOM 558 CE2 TYR A 37 -3.168 -6.683 9.695 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.868 -6.036 8.699 1.00 0.00 C ATOM 560 OH TYR A 37 -5.144 -5.582 8.944 1.00 0.00 O ATOM 0 H TYR A 37 0.960 -7.787 5.453 1.00 0.00 H new ATOM 0 HA TYR A 37 0.596 -5.471 7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.058 -8.411 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.616 -7.626 8.889 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.570 -6.144 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.341 -7.641 10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.846 -5.331 6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.619 -6.835 10.664 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.398 -5.801 9.865 1.00 0.00 H new ATOM 570 N LYS A 38 3.084 -7.647 7.177 1.00 0.00 N ATOM 571 CA LYS A 38 4.486 -7.837 7.530 1.00 0.00 C ATOM 572 C LYS A 38 5.400 -7.360 6.406 1.00 0.00 C ATOM 573 O LYS A 38 5.079 -7.472 5.222 1.00 0.00 O ATOM 574 CB LYS A 38 4.761 -9.312 7.833 1.00 0.00 C ATOM 575 CG LYS A 38 4.073 -9.812 9.092 1.00 0.00 C ATOM 576 CD LYS A 38 4.798 -9.349 10.345 1.00 0.00 C ATOM 577 CE LYS A 38 4.034 -9.730 11.604 1.00 0.00 C ATOM 578 NZ LYS A 38 4.920 -9.770 12.800 1.00 0.00 N ATOM 0 H LYS A 38 2.677 -8.412 6.639 1.00 0.00 H new ATOM 0 HA LYS A 38 4.694 -7.244 8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.434 -9.915 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.836 -9.459 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.044 -9.453 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.031 -10.901 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.794 -9.791 10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.930 -8.268 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.230 -9.013 11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.568 -10.705 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.362 -10.033 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.673 -10.472 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.345 -8.833 12.949 1.00 0.00 H new ATOM 592 N PRO A 39 6.567 -6.817 6.781 1.00 0.00 N ATOM 593 CA PRO A 39 7.552 -6.313 5.819 1.00 0.00 C ATOM 594 C PRO A 39 8.217 -7.436 5.030 1.00 0.00 C ATOM 595 O PRO A 39 8.725 -8.398 5.606 1.00 0.00 O ATOM 596 CB PRO A 39 8.579 -5.601 6.703 1.00 0.00 C ATOM 597 CG PRO A 39 8.462 -6.264 8.031 1.00 0.00 C ATOM 598 CD PRO A 39 7.016 -6.652 8.174 1.00 0.00 C ATOM 0 HA PRO A 39 7.096 -5.668 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.586 -5.701 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.368 -4.534 6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.109 -7.140 8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.766 -5.590 8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.902 -7.574 8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.443 -5.883 8.692 1.00 0.00 H new ATOM 606 N VAL A 40 8.211 -7.307 3.707 1.00 0.00 N ATOM 607 CA VAL A 40 8.814 -8.310 2.838 1.00 0.00 C ATOM 608 C VAL A 40 10.327 -8.134 2.765 1.00 0.00 C ATOM 609 O VAL A 40 10.840 -7.023 2.891 1.00 0.00 O ATOM 610 CB VAL A 40 8.231 -8.243 1.414 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.538 -6.898 0.773 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.772 -9.383 0.563 1.00 0.00 C ATOM 0 H VAL A 40 7.795 -6.517 3.214 1.00 0.00 H new ATOM 0 HA VAL A 40 8.584 -9.284 3.271 1.00 0.00 H new ATOM 0 HB VAL A 40 7.148 -8.349 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.118 -6.870 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.099 -6.101 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.618 -6.759 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.350 -9.320 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.858 -9.310 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.496 -10.336 1.014 1.00 0.00 H new ATOM 622 N ASP A 41 11.036 -9.239 2.559 1.00 0.00 N ATOM 623 CA ASP A 41 12.491 -9.208 2.467 1.00 0.00 C ATOM 624 C ASP A 41 12.997 -10.276 1.502 1.00 0.00 C ATOM 625 O ASP A 41 13.011 -11.463 1.827 1.00 0.00 O ATOM 626 CB ASP A 41 13.115 -9.412 3.848 1.00 0.00 C ATOM 627 CG ASP A 41 14.495 -8.794 3.957 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.695 -7.690 3.410 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.376 -9.415 4.589 1.00 0.00 O ATOM 0 H ASP A 41 10.626 -10.167 2.453 1.00 0.00 H new ATOM 0 HA ASP A 41 12.786 -8.231 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.464 -8.976 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.180 -10.479 4.060 1.00 0.00 H new ATOM 634 N ALA A 42 13.412 -9.846 0.316 1.00 0.00 N ATOM 635 CA ALA A 42 13.920 -10.765 -0.695 1.00 0.00 C ATOM 636 C ALA A 42 15.071 -11.603 -0.147 1.00 0.00 C ATOM 637 O ALA A 42 15.082 -12.825 -0.289 1.00 0.00 O ATOM 638 CB ALA A 42 14.367 -9.996 -1.931 1.00 0.00 C ATOM 0 H ALA A 42 13.407 -8.867 0.031 1.00 0.00 H new ATOM 0 HA ALA A 42 13.112 -11.442 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.744 -10.695 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.521 -9.446 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.156 -9.296 -1.658 1.00 0.00 H new ATOM 751 N TYR A 50 13.246 -10.036 -6.690 1.00 0.00 N ATOM 752 CA TYR A 50 12.054 -9.347 -6.211 1.00 0.00 C ATOM 753 C TYR A 50 12.042 -7.893 -6.675 1.00 0.00 C ATOM 754 O TYR A 50 11.073 -7.429 -7.278 1.00 0.00 O ATOM 755 CB TYR A 50 11.982 -9.407 -4.685 1.00 0.00 C ATOM 756 CG TYR A 50 10.786 -8.686 -4.105 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.522 -8.841 -4.660 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.921 -7.849 -3.004 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.426 -8.183 -4.134 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.830 -7.189 -2.471 1.00 0.00 C ATOM 761 CZ TYR A 50 8.585 -7.359 -3.040 1.00 0.00 C ATOM 762 OH TYR A 50 7.497 -6.702 -2.513 1.00 0.00 O ATOM 0 HA TYR A 50 11.182 -9.851 -6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.953 -10.451 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.892 -8.975 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.393 -9.486 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.895 -7.712 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.450 -8.314 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.952 -6.544 -1.614 1.00 0.00 H new ATOM 0 HH TYR A 50 6.689 -7.235 -2.664 1.00 0.00 H new ATOM 772 N HIS A 51 13.126 -7.179 -6.390 1.00 0.00 N ATOM 773 CA HIS A 51 13.242 -5.778 -6.779 1.00 0.00 C ATOM 774 C HIS A 51 13.198 -5.629 -8.297 1.00 0.00 C ATOM 775 O HIS A 51 12.586 -4.699 -8.821 1.00 0.00 O ATOM 776 CB HIS A 51 14.541 -5.182 -6.234 1.00 0.00 C ATOM 777 CG HIS A 51 14.578 -5.091 -4.740 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.617 -4.432 -4.002 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.466 -5.581 -3.844 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.914 -4.519 -2.718 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.031 -5.213 -2.595 1.00 0.00 N ATOM 0 H HIS A 51 13.936 -7.547 -5.891 1.00 0.00 H new ATOM 0 HA HIS A 51 12.396 -5.238 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.380 -5.789 -6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.678 -4.186 -6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.352 -6.155 -4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.341 -4.095 -1.907 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.495 -5.439 -1.715 1.00 0.00 H new ATOM 789 N ASP A 52 13.850 -6.552 -8.996 1.00 0.00 N ATOM 790 CA ASP A 52 13.885 -6.524 -10.453 1.00 0.00 C ATOM 791 C ASP A 52 12.518 -6.156 -11.022 1.00 0.00 C ATOM 792 O ASP A 52 12.390 -5.198 -11.786 1.00 0.00 O ATOM 793 CB ASP A 52 14.330 -7.881 -11.000 1.00 0.00 C ATOM 794 CG ASP A 52 15.641 -8.346 -10.397 1.00 0.00 C ATOM 795 OD1 ASP A 52 15.697 -8.519 -9.162 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.611 -8.536 -11.161 1.00 0.00 O ATOM 0 H ASP A 52 14.361 -7.329 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 52 14.603 -5.764 -10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.557 -8.622 -10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.434 -7.817 -12.083 1.00 0.00 H new ATOM 801 N ILE A 53 11.500 -6.923 -10.646 1.00 0.00 N ATOM 802 CA ILE A 53 10.144 -6.677 -11.119 1.00 0.00 C ATOM 803 C ILE A 53 9.529 -5.468 -10.422 1.00 0.00 C ATOM 804 O ILE A 53 8.918 -4.614 -11.064 1.00 0.00 O ATOM 805 CB ILE A 53 9.238 -7.902 -10.893 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.818 -9.130 -11.597 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.828 -7.617 -11.388 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.440 -10.439 -10.939 1.00 0.00 C ATOM 0 H ILE A 53 11.589 -7.720 -10.015 1.00 0.00 H new ATOM 0 HA ILE A 53 10.214 -6.480 -12.189 1.00 0.00 H new ATOM 0 HB ILE A 53 9.192 -8.108 -9.824 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.476 -9.141 -12.632 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.904 -9.045 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.200 -8.492 -11.221 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.417 -6.766 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.856 -7.388 -12.453 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.886 -11.266 -11.491 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.806 -10.449 -9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.355 -10.546 -10.939 1.00 0.00 H new ATOM 820 N ILE A 54 9.696 -5.403 -9.106 1.00 0.00 N ATOM 821 CA ILE A 54 9.161 -4.297 -8.322 1.00 0.00 C ATOM 822 C ILE A 54 10.246 -3.277 -7.997 1.00 0.00 C ATOM 823 O ILE A 54 10.964 -3.411 -7.006 1.00 0.00 O ATOM 824 CB ILE A 54 8.528 -4.793 -7.008 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.423 -5.809 -7.300 1.00 0.00 C ATOM 826 CG2 ILE A 54 7.980 -3.620 -6.209 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.301 -5.254 -8.151 1.00 0.00 C ATOM 0 H ILE A 54 10.198 -6.103 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 54 8.391 -3.823 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 54 9.298 -5.284 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.858 -6.672 -7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.010 -6.166 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.536 -3.986 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.790 -2.929 -5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.221 -3.103 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.553 -6.029 -8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.840 -4.409 -7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.701 -4.923 -9.110 1.00 0.00 H new ATOM 839 N LYS A 55 10.361 -2.255 -8.839 1.00 0.00 N ATOM 840 CA LYS A 55 11.356 -1.208 -8.641 1.00 0.00 C ATOM 841 C LYS A 55 11.233 -0.595 -7.250 1.00 0.00 C ATOM 842 O LYS A 55 12.233 -0.381 -6.564 1.00 0.00 O ATOM 843 CB LYS A 55 11.200 -0.119 -9.705 1.00 0.00 C ATOM 844 CG LYS A 55 11.769 -0.506 -11.059 1.00 0.00 C ATOM 845 CD LYS A 55 13.223 -0.085 -11.194 1.00 0.00 C ATOM 846 CE LYS A 55 14.162 -1.136 -10.621 1.00 0.00 C ATOM 847 NZ LYS A 55 14.453 -0.895 -9.181 1.00 0.00 N ATOM 0 H LYS A 55 9.777 -2.130 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 55 12.344 -1.659 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.142 0.117 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.694 0.789 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.688 -1.585 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.180 -0.040 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.459 0.081 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.378 0.863 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.718 -2.124 -10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.095 -1.135 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.459 -0.656 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.868 -0.107 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.236 -1.753 -8.635 1.00 0.00 H new ATOM 861 N HIS A 56 10.000 -0.317 -6.838 1.00 0.00 N ATOM 862 CA HIS A 56 9.746 0.269 -5.527 1.00 0.00 C ATOM 863 C HIS A 56 8.611 -0.461 -4.816 1.00 0.00 C ATOM 864 O HIS A 56 7.430 -0.225 -5.075 1.00 0.00 O ATOM 865 CB HIS A 56 9.406 1.754 -5.665 1.00 0.00 C ATOM 866 CG HIS A 56 10.195 2.452 -6.730 1.00 0.00 C ATOM 867 ND1 HIS A 56 11.553 2.673 -6.639 1.00 0.00 N ATOM 868 CD2 HIS A 56 9.809 2.977 -7.916 1.00 0.00 C ATOM 869 CE1 HIS A 56 11.967 3.306 -7.721 1.00 0.00 C ATOM 870 NE2 HIS A 56 10.928 3.503 -8.513 1.00 0.00 N ATOM 0 H HIS A 56 9.162 -0.488 -7.393 1.00 0.00 H new ATOM 0 HA HIS A 56 10.652 0.166 -4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.343 1.856 -5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.582 2.249 -4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.807 2.981 -8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.983 3.611 -7.924 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.953 3.970 -9.420 1.00 0.00 H new ATOM 878 N PRO A 57 8.973 -1.369 -3.898 1.00 0.00 N ATOM 879 CA PRO A 57 7.999 -2.152 -3.131 1.00 0.00 C ATOM 880 C PRO A 57 7.232 -1.299 -2.127 1.00 0.00 C ATOM 881 O PRO A 57 7.799 -0.409 -1.494 1.00 0.00 O ATOM 882 CB PRO A 57 8.866 -3.183 -2.405 1.00 0.00 C ATOM 883 CG PRO A 57 10.209 -2.545 -2.302 1.00 0.00 C ATOM 884 CD PRO A 57 10.362 -1.702 -3.538 1.00 0.00 C ATOM 0 HA PRO A 57 7.235 -2.593 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.462 -3.416 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.915 -4.120 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.283 -1.935 -1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.995 -3.298 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.952 -0.807 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.864 -2.247 -4.337 1.00 0.00 H new ATOM 892 N MET A 58 5.940 -1.578 -1.985 1.00 0.00 N ATOM 893 CA MET A 58 5.096 -0.837 -1.056 1.00 0.00 C ATOM 894 C MET A 58 4.511 -1.764 0.005 1.00 0.00 C ATOM 895 O MET A 58 4.451 -2.979 -0.184 1.00 0.00 O ATOM 896 CB MET A 58 3.968 -0.130 -1.810 1.00 0.00 C ATOM 897 CG MET A 58 3.517 1.165 -1.154 1.00 0.00 C ATOM 898 SD MET A 58 4.430 2.601 -1.751 1.00 0.00 S ATOM 899 CE MET A 58 5.743 2.696 -0.537 1.00 0.00 C ATOM 0 H MET A 58 5.455 -2.312 -2.502 1.00 0.00 H new ATOM 0 HA MET A 58 5.715 -0.090 -0.559 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.299 0.083 -2.826 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.115 -0.805 -1.888 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.453 1.312 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.642 1.083 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.088 3.727 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.370 2.359 0.430 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.572 2.060 -0.847 1.00 0.00 H new ATOM 909 N ASP A 59 4.082 -1.184 1.120 1.00 0.00 N ATOM 910 CA ASP A 59 3.501 -1.958 2.211 1.00 0.00 C ATOM 911 C ASP A 59 2.873 -1.040 3.255 1.00 0.00 C ATOM 912 O ASP A 59 3.313 0.095 3.445 1.00 0.00 O ATOM 913 CB ASP A 59 4.567 -2.839 2.863 1.00 0.00 C ATOM 914 CG ASP A 59 5.875 -2.102 3.079 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.829 -0.902 3.421 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.943 -2.726 2.905 1.00 0.00 O ATOM 0 H ASP A 59 4.126 -0.180 1.293 1.00 0.00 H new ATOM 0 HA ASP A 59 2.719 -2.594 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.196 -3.204 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.745 -3.713 2.236 1.00 0.00 H new ATOM 921 N LEU A 60 1.842 -1.537 3.928 1.00 0.00 N ATOM 922 CA LEU A 60 1.151 -0.761 4.953 1.00 0.00 C ATOM 923 C LEU A 60 2.131 -0.264 6.011 1.00 0.00 C ATOM 924 O LEU A 60 2.040 0.875 6.469 1.00 0.00 O ATOM 925 CB LEU A 60 0.058 -1.606 5.610 1.00 0.00 C ATOM 926 CG LEU A 60 -1.208 -1.827 4.781 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.114 -2.847 5.453 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.945 -0.512 4.572 1.00 0.00 C ATOM 0 H LEU A 60 1.465 -2.474 3.783 1.00 0.00 H new ATOM 0 HA LEU A 60 0.693 0.104 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.480 -2.580 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.225 -1.131 6.550 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.917 -2.216 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.010 -2.992 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.585 -3.795 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.397 -2.486 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.843 -0.688 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.224 -0.094 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.296 0.189 4.047 1.00 0.00 H new ATOM 940 N SER A 61 3.068 -1.126 6.395 1.00 0.00 N ATOM 941 CA SER A 61 4.063 -0.775 7.400 1.00 0.00 C ATOM 942 C SER A 61 4.672 0.593 7.108 1.00 0.00 C ATOM 943 O SER A 61 5.078 1.314 8.020 1.00 0.00 O ATOM 944 CB SER A 61 5.165 -1.836 7.450 1.00 0.00 C ATOM 945 OG SER A 61 5.536 -2.247 6.146 1.00 0.00 O ATOM 0 H SER A 61 3.158 -2.072 6.025 1.00 0.00 H new ATOM 0 HA SER A 61 3.565 -0.732 8.369 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.036 -1.437 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.819 -2.697 8.022 1.00 0.00 H new ATOM 0 HG SER A 61 6.242 -2.924 6.205 1.00 0.00 H new ATOM 951 N THR A 62 4.733 0.945 5.827 1.00 0.00 N ATOM 952 CA THR A 62 5.292 2.226 5.413 1.00 0.00 C ATOM 953 C THR A 62 4.229 3.317 5.414 1.00 0.00 C ATOM 954 O THR A 62 4.477 4.439 5.856 1.00 0.00 O ATOM 955 CB THR A 62 5.918 2.136 4.008 1.00 0.00 C ATOM 956 OG1 THR A 62 6.982 1.178 4.005 1.00 0.00 O ATOM 957 CG2 THR A 62 6.448 3.492 3.564 1.00 0.00 C ATOM 0 H THR A 62 4.402 0.361 5.059 1.00 0.00 H new ATOM 0 HA THR A 62 6.069 2.480 6.134 1.00 0.00 H new ATOM 0 HB THR A 62 5.144 1.819 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.751 0.434 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.885 3.404 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.630 4.212 3.538 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.209 3.833 4.266 1.00 0.00 H new ATOM 965 N VAL A 63 3.042 2.982 4.919 1.00 0.00 N ATOM 966 CA VAL A 63 1.939 3.933 4.865 1.00 0.00 C ATOM 967 C VAL A 63 1.591 4.451 6.256 1.00 0.00 C ATOM 968 O VAL A 63 1.344 5.643 6.444 1.00 0.00 O ATOM 969 CB VAL A 63 0.683 3.302 4.236 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.450 4.315 4.172 1.00 0.00 C ATOM 971 CG2 VAL A 63 0.998 2.755 2.852 1.00 0.00 C ATOM 0 H VAL A 63 2.820 2.058 4.549 1.00 0.00 H new ATOM 0 HA VAL A 63 2.269 4.765 4.242 1.00 0.00 H new ATOM 0 HB VAL A 63 0.361 2.472 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.329 3.850 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.692 4.654 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.142 5.167 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.099 2.313 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.346 3.565 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.775 1.995 2.930 1.00 0.00 H new ATOM 981 N LYS A 64 1.575 3.548 7.230 1.00 0.00 N ATOM 982 CA LYS A 64 1.260 3.912 8.607 1.00 0.00 C ATOM 983 C LYS A 64 2.361 4.781 9.206 1.00 0.00 C ATOM 984 O LYS A 64 2.085 5.802 9.836 1.00 0.00 O ATOM 985 CB LYS A 64 1.068 2.654 9.457 1.00 0.00 C ATOM 986 CG LYS A 64 0.668 2.946 10.893 1.00 0.00 C ATOM 987 CD LYS A 64 -0.843 3.008 11.049 1.00 0.00 C ATOM 988 CE LYS A 64 -1.244 3.227 12.500 1.00 0.00 C ATOM 989 NZ LYS A 64 -1.354 1.943 13.245 1.00 0.00 N ATOM 0 H LYS A 64 1.777 2.558 7.092 1.00 0.00 H new ATOM 0 HA LYS A 64 0.333 4.485 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.304 2.027 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.995 2.080 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.071 2.174 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.107 3.893 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.241 3.816 10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.286 2.082 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.509 3.868 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.199 3.752 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.629 2.135 14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.074 1.341 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.436 1.454 13.231 1.00 0.00 H new ATOM 1003 N ARG A 65 3.608 4.370 9.003 1.00 0.00 N ATOM 1004 CA ARG A 65 4.751 5.111 9.523 1.00 0.00 C ATOM 1005 C ARG A 65 4.812 6.510 8.917 1.00 0.00 C ATOM 1006 O ARG A 65 4.933 7.504 9.634 1.00 0.00 O ATOM 1007 CB ARG A 65 6.050 4.359 9.230 1.00 0.00 C ATOM 1008 CG ARG A 65 6.268 3.148 10.123 1.00 0.00 C ATOM 1009 CD ARG A 65 6.773 3.554 11.499 1.00 0.00 C ATOM 1010 NE ARG A 65 7.401 2.439 12.202 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.041 2.567 13.359 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.136 3.755 13.940 1.00 0.00 N ATOM 1013 NH2 ARG A 65 8.587 1.505 13.937 1.00 0.00 N ATOM 0 H ARG A 65 3.853 3.528 8.482 1.00 0.00 H new ATOM 0 HA ARG A 65 4.631 5.206 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.046 4.036 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.890 5.043 9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.333 2.597 10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.986 2.474 9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.491 4.368 11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.942 3.935 12.092 1.00 0.00 H new ATOM 0 HE ARG A 65 7.345 1.511 11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.717 4.574 13.499 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.628 3.850 14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.516 0.590 13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.078 1.604 14.825 1.00 0.00 H new ATOM 1027 N LYS A 66 4.729 6.580 7.593 1.00 0.00 N ATOM 1028 CA LYS A 66 4.774 7.856 6.889 1.00 0.00 C ATOM 1029 C LYS A 66 3.634 8.765 7.337 1.00 0.00 C ATOM 1030 O LYS A 66 3.855 9.920 7.699 1.00 0.00 O ATOM 1031 CB LYS A 66 4.698 7.631 5.378 1.00 0.00 C ATOM 1032 CG LYS A 66 6.014 7.191 4.760 1.00 0.00 C ATOM 1033 CD LYS A 66 5.911 7.077 3.249 1.00 0.00 C ATOM 1034 CE LYS A 66 5.957 8.443 2.582 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.282 9.101 2.757 1.00 0.00 N ATOM 0 H LYS A 66 4.630 5.767 6.985 1.00 0.00 H new ATOM 0 HA LYS A 66 5.719 8.343 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.939 6.877 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.372 8.554 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.795 7.905 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.310 6.229 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.727 6.460 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.982 6.573 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.742 8.335 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.177 9.079 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.408 9.829 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.328 9.544 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.037 8.390 2.671 1.00 0.00 H new ATOM 1049 N MET A 67 2.416 8.235 7.311 1.00 0.00 N ATOM 1050 CA MET A 67 1.242 8.999 7.718 1.00 0.00 C ATOM 1051 C MET A 67 1.350 9.426 9.178 1.00 0.00 C ATOM 1052 O MET A 67 0.938 10.527 9.545 1.00 0.00 O ATOM 1053 CB MET A 67 -0.028 8.173 7.508 1.00 0.00 C ATOM 1054 CG MET A 67 -1.304 8.919 7.862 1.00 0.00 C ATOM 1055 SD MET A 67 -1.426 10.517 7.035 1.00 0.00 S ATOM 1056 CE MET A 67 -2.706 10.177 5.829 1.00 0.00 C ATOM 0 H MET A 67 2.216 7.280 7.013 1.00 0.00 H new ATOM 0 HA MET A 67 1.190 9.895 7.099 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.078 7.858 6.466 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.033 7.268 8.112 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.165 8.308 7.591 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.346 9.068 8.941 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.306 10.317 4.825 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.049 9.149 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.543 10.858 5.985 1.00 0.00 H new ATOM 1066 N ASP A 68 1.905 8.548 10.007 1.00 0.00 N ATOM 1067 CA ASP A 68 2.067 8.835 11.427 1.00 0.00 C ATOM 1068 C ASP A 68 2.756 10.180 11.635 1.00 0.00 C ATOM 1069 O ASP A 68 2.280 11.022 12.395 1.00 0.00 O ATOM 1070 CB ASP A 68 2.873 7.725 12.105 1.00 0.00 C ATOM 1071 CG ASP A 68 3.094 7.989 13.581 1.00 0.00 C ATOM 1072 OD1 ASP A 68 2.123 8.370 14.268 1.00 0.00 O ATOM 1073 OD2 ASP A 68 4.238 7.814 14.050 1.00 0.00 O ATOM 0 H ASP A 68 2.250 7.632 9.720 1.00 0.00 H new ATOM 0 HA ASP A 68 1.076 8.881 11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.352 6.775 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.838 7.625 11.608 1.00 0.00 H new ATOM 1078 N GLY A 69 3.881 10.375 10.954 1.00 0.00 N ATOM 1079 CA GLY A 69 4.618 11.618 11.079 1.00 0.00 C ATOM 1080 C GLY A 69 4.194 12.649 10.051 1.00 0.00 C ATOM 1081 O GLY A 69 4.985 13.507 9.660 1.00 0.00 O ATOM 0 H GLY A 69 4.295 9.694 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.471 12.025 12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.684 11.418 10.970 1.00 0.00 H new ATOM 1085 N ARG A 70 2.943 12.564 9.612 1.00 0.00 N ATOM 1086 CA ARG A 70 2.416 13.495 8.621 1.00 0.00 C ATOM 1087 C ARG A 70 3.429 13.730 7.504 1.00 0.00 C ATOM 1088 O ARG A 70 3.512 14.826 6.950 1.00 0.00 O ATOM 1089 CB ARG A 70 2.052 14.825 9.283 1.00 0.00 C ATOM 1090 CG ARG A 70 0.691 14.816 9.959 1.00 0.00 C ATOM 1091 CD ARG A 70 0.651 13.831 11.117 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.278 14.253 12.163 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.009 15.213 13.041 1.00 0.00 C ATOM 1094 NH1 ARG A 70 1.154 15.848 12.999 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -0.906 15.541 13.962 1.00 0.00 N ATOM 0 H ARG A 70 2.275 11.860 9.927 1.00 0.00 H new ATOM 0 HA ARG A 70 1.518 13.056 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.814 15.074 10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.069 15.613 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.458 15.817 10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.077 14.554 9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.358 12.848 10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.650 13.728 11.540 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.182 13.785 12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.845 15.600 12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.358 16.585 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.803 15.056 13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.699 16.278 14.636 1.00 0.00 H new ATOM 1109 N GLU A 71 4.196 12.695 7.179 1.00 0.00 N ATOM 1110 CA GLU A 71 5.204 12.790 6.130 1.00 0.00 C ATOM 1111 C GLU A 71 4.569 13.193 4.802 1.00 0.00 C ATOM 1112 O GLU A 71 5.172 13.916 4.008 1.00 0.00 O ATOM 1113 CB GLU A 71 5.938 11.457 5.973 1.00 0.00 C ATOM 1114 CG GLU A 71 7.086 11.276 6.952 1.00 0.00 C ATOM 1115 CD GLU A 71 8.410 11.762 6.395 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.437 12.861 5.803 1.00 0.00 O ATOM 1117 OE2 GLU A 71 9.419 11.043 6.552 1.00 0.00 O ATOM 0 H GLU A 71 4.139 11.781 7.627 1.00 0.00 H new ATOM 0 HA GLU A 71 5.921 13.558 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.226 10.642 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.323 11.381 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.863 11.817 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.172 10.222 7.215 1.00 0.00 H new ATOM 1124 N TYR A 72 3.351 12.720 4.568 1.00 0.00 N ATOM 1125 CA TYR A 72 2.635 13.027 3.335 1.00 0.00 C ATOM 1126 C TYR A 72 2.212 14.493 3.302 1.00 0.00 C ATOM 1127 O TYR A 72 1.613 15.014 4.243 1.00 0.00 O ATOM 1128 CB TYR A 72 1.407 12.127 3.195 1.00 0.00 C ATOM 1129 CG TYR A 72 1.743 10.657 3.079 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.532 10.186 2.036 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.272 9.740 4.010 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.842 8.844 1.925 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.578 8.397 3.907 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.363 7.954 2.863 1.00 0.00 C ATOM 1135 OH TYR A 72 2.669 6.616 2.757 1.00 0.00 O ATOM 0 H TYR A 72 2.838 12.122 5.216 1.00 0.00 H new ATOM 0 HA TYR A 72 3.309 12.843 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.758 12.276 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.842 12.432 2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.909 10.881 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.656 10.083 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.456 8.494 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.205 7.697 4.640 1.00 0.00 H new ATOM 0 HH TYR A 72 1.846 6.102 2.624 1.00 0.00 H new ATOM 1145 N PRO A 73 2.529 15.174 2.191 1.00 0.00 N ATOM 1146 CA PRO A 73 2.190 16.589 2.007 1.00 0.00 C ATOM 1147 C PRO A 73 0.692 16.808 1.831 1.00 0.00 C ATOM 1148 O PRO A 73 0.144 17.812 2.286 1.00 0.00 O ATOM 1149 CB PRO A 73 2.940 16.969 0.728 1.00 0.00 C ATOM 1150 CG PRO A 73 3.095 15.687 -0.016 1.00 0.00 C ATOM 1151 CD PRO A 73 3.242 14.617 1.030 1.00 0.00 C ATOM 0 HA PRO A 73 2.465 17.190 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.381 17.700 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.909 17.415 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.229 15.497 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.968 15.717 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.804 13.674 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.289 14.420 1.259 1.00 0.00 H new ATOM 1159 N ASP A 74 0.034 15.863 1.169 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.402 15.952 0.934 1.00 0.00 C ATOM 1161 C ASP A 74 -2.007 14.566 0.731 1.00 0.00 C ATOM 1162 O ASP A 74 -1.305 13.557 0.789 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.688 16.831 -0.285 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.668 16.637 -1.390 1.00 0.00 C ATOM 1165 OD1 ASP A 74 0.513 16.979 -1.173 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -1.051 16.145 -2.472 1.00 0.00 O ATOM 0 H ASP A 74 0.473 15.026 0.785 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.861 16.404 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.683 16.603 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.696 17.878 0.019 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.314 14.526 0.493 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.013 13.264 0.280 1.00 0.00 C ATOM 1173 C ALA A 75 -3.356 12.454 -0.833 1.00 0.00 C ATOM 1174 O ALA A 75 -3.161 11.246 -0.700 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.477 13.520 -0.045 1.00 0.00 C ATOM 0 H ALA A 75 -3.910 15.352 0.443 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.953 12.684 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.987 12.569 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.946 14.051 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.549 14.123 -0.950 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.020 13.127 -1.929 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.387 12.467 -3.065 1.00 0.00 C ATOM 1183 C GLN A 76 -1.139 11.708 -2.627 1.00 0.00 C ATOM 1184 O GLN A 76 -0.903 10.580 -3.059 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.023 13.493 -4.139 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.230 14.179 -4.759 1.00 0.00 C ATOM 1187 CD GLN A 76 -3.830 15.236 -3.853 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.272 16.322 -3.693 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -4.973 14.924 -3.254 1.00 0.00 N ATOM 0 H GLN A 76 -3.175 14.127 -2.054 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.098 11.753 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.371 14.249 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.454 12.997 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.937 14.639 -5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.989 13.431 -4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.401 14.012 -3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.423 15.596 -2.633 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.342 12.334 -1.767 1.00 0.00 N ATOM 1199 CA GLY A 77 0.873 11.702 -1.286 1.00 0.00 C ATOM 1200 C GLY A 77 0.595 10.442 -0.491 1.00 0.00 C ATOM 1201 O GLY A 77 1.260 9.422 -0.677 1.00 0.00 O ATOM 0 H GLY A 77 -0.516 13.268 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.513 11.459 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.424 12.407 -0.663 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.389 10.510 0.399 1.00 0.00 N ATOM 1206 CA PHE A 78 -0.752 9.366 1.227 1.00 0.00 C ATOM 1207 C PHE A 78 -1.285 8.221 0.370 1.00 0.00 C ATOM 1208 O PHE A 78 -0.787 7.098 0.436 1.00 0.00 O ATOM 1209 CB PHE A 78 -1.800 9.772 2.265 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.613 8.619 2.780 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.063 7.709 3.668 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -3.927 8.445 2.375 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -2.809 6.646 4.142 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.677 7.384 2.847 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.118 6.484 3.732 1.00 0.00 C ATOM 0 H PHE A 78 -0.950 11.346 0.566 1.00 0.00 H new ATOM 0 HA PHE A 78 0.145 9.023 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.300 10.257 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.470 10.510 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.040 7.831 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.370 9.146 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.368 5.942 4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.700 7.259 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.703 5.655 4.103 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.302 8.516 -0.433 1.00 0.00 N ATOM 1226 CA ALA A 79 -2.903 7.513 -1.304 1.00 0.00 C ATOM 1227 C ALA A 79 -1.873 6.940 -2.272 1.00 0.00 C ATOM 1228 O ALA A 79 -1.825 5.731 -2.497 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.073 8.113 -2.070 1.00 0.00 C ATOM 0 H ALA A 79 -2.727 9.441 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.271 6.698 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.512 7.353 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.825 8.469 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.721 8.947 -2.677 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.052 7.815 -2.843 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.023 7.395 -3.786 1.00 0.00 C ATOM 1237 C ALA A 80 0.544 6.031 -3.407 1.00 0.00 C ATOM 1238 O ALA A 80 0.496 5.087 -4.197 1.00 0.00 O ATOM 1239 CB ALA A 80 1.089 8.431 -3.850 1.00 0.00 C ATOM 0 H ALA A 80 -1.080 8.820 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.481 7.309 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.850 8.104 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.678 9.387 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.537 8.546 -2.863 1.00 0.00 H new ATOM 1245 N ASP A 81 1.080 5.934 -2.196 1.00 0.00 N ATOM 1246 CA ASP A 81 1.657 4.684 -1.713 1.00 0.00 C ATOM 1247 C ASP A 81 0.639 3.550 -1.791 1.00 0.00 C ATOM 1248 O ASP A 81 0.909 2.499 -2.371 1.00 0.00 O ATOM 1249 CB ASP A 81 2.147 4.847 -0.273 1.00 0.00 C ATOM 1250 CG ASP A 81 3.493 5.542 -0.195 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.785 6.370 -1.083 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.254 5.256 0.753 1.00 0.00 O ATOM 0 H ASP A 81 1.127 6.705 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 81 2.504 4.433 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.413 5.418 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.220 3.866 0.196 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.532 3.771 -1.202 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.591 2.769 -1.205 1.00 0.00 C ATOM 1259 C VAL A 82 -1.775 2.168 -2.594 1.00 0.00 C ATOM 1260 O VAL A 82 -1.718 0.951 -2.769 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.930 3.365 -0.733 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -4.038 2.327 -0.826 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.805 3.898 0.686 1.00 0.00 C ATOM 0 H VAL A 82 -0.771 4.636 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.287 1.985 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.189 4.197 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.977 2.766 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.142 1.998 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.790 1.472 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.761 4.316 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.523 3.086 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.041 4.675 0.717 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.997 3.031 -3.581 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.190 2.586 -4.956 1.00 0.00 C ATOM 1275 C ARG A 83 -1.055 1.665 -5.394 1.00 0.00 C ATOM 1276 O ARG A 83 -1.289 0.535 -5.825 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.277 3.789 -5.896 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.496 4.665 -5.654 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.559 5.819 -6.643 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.836 6.523 -6.581 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.206 7.453 -7.455 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -4.399 7.787 -8.453 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -6.385 8.049 -7.333 1.00 0.00 N ATOM 0 H ARG A 83 -2.048 4.042 -3.454 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.125 2.028 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.377 4.394 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.294 3.434 -6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.401 4.063 -5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.467 5.057 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.749 6.518 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.403 5.440 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.480 6.288 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.492 7.330 -8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.685 8.501 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.009 7.794 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.668 8.763 -8.005 1.00 0.00 H new ATOM 1297 N LEU A 84 0.174 2.156 -5.282 1.00 0.00 N ATOM 1298 CA LEU A 84 1.346 1.378 -5.668 1.00 0.00 C ATOM 1299 C LEU A 84 1.250 -0.050 -5.139 1.00 0.00 C ATOM 1300 O LEU A 84 1.307 -1.011 -5.906 1.00 0.00 O ATOM 1301 CB LEU A 84 2.620 2.043 -5.142 1.00 0.00 C ATOM 1302 CG LEU A 84 3.902 1.744 -5.919 1.00 0.00 C ATOM 1303 CD1 LEU A 84 5.042 2.622 -5.426 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.270 0.272 -5.797 1.00 0.00 C ATOM 0 H LEU A 84 0.385 3.089 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 84 1.385 1.342 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.466 3.122 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.766 1.735 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 84 3.726 1.968 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.946 2.395 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.780 3.671 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.217 2.430 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.185 0.078 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.426 0.022 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.462 -0.340 -6.199 1.00 0.00 H new ATOM 1316 N MET A 85 1.101 -0.181 -3.825 1.00 0.00 N ATOM 1317 CA MET A 85 0.993 -1.491 -3.195 1.00 0.00 C ATOM 1318 C MET A 85 0.070 -2.405 -3.996 1.00 0.00 C ATOM 1319 O MET A 85 0.368 -3.582 -4.198 1.00 0.00 O ATOM 1320 CB MET A 85 0.473 -1.351 -1.763 1.00 0.00 C ATOM 1321 CG MET A 85 0.007 -2.664 -1.155 1.00 0.00 C ATOM 1322 SD MET A 85 -1.710 -3.044 -1.555 1.00 0.00 S ATOM 1323 CE MET A 85 -2.570 -1.924 -0.454 1.00 0.00 C ATOM 0 H MET A 85 1.052 0.604 -3.176 1.00 0.00 H new ATOM 0 HA MET A 85 1.987 -1.938 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.261 -0.930 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.354 -0.642 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.646 -3.472 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.122 -2.620 -0.072 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.552 -2.332 -0.214 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.994 -1.802 0.463 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.688 -0.955 -0.940 1.00 0.00 H new ATOM 1333 N PHE A 86 -1.051 -1.855 -4.450 1.00 0.00 N ATOM 1334 CA PHE A 86 -2.018 -2.622 -5.228 1.00 0.00 C ATOM 1335 C PHE A 86 -1.452 -2.978 -6.600 1.00 0.00 C ATOM 1336 O PHE A 86 -1.687 -4.070 -7.115 1.00 0.00 O ATOM 1337 CB PHE A 86 -3.317 -1.830 -5.389 1.00 0.00 C ATOM 1338 CG PHE A 86 -4.179 -1.835 -4.160 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.805 -2.998 -3.741 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.364 -0.677 -3.422 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.599 -3.006 -2.610 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -5.156 -0.679 -2.290 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.775 -1.845 -1.884 1.00 0.00 C ATOM 0 H PHE A 86 -1.313 -0.882 -4.293 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.229 -3.547 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.075 -0.799 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.884 -2.244 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.671 -3.909 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.883 0.238 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.081 -3.919 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.291 0.230 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.396 -1.849 -1.000 1.00 0.00 H new ATOM 1353 N SER A 87 -0.706 -2.047 -7.185 1.00 0.00 N ATOM 1354 CA SER A 87 -0.110 -2.260 -8.499 1.00 0.00 C ATOM 1355 C SER A 87 1.003 -3.301 -8.428 1.00 0.00 C ATOM 1356 O SER A 87 1.198 -4.081 -9.360 1.00 0.00 O ATOM 1357 CB SER A 87 0.442 -0.944 -9.051 1.00 0.00 C ATOM 1358 OG SER A 87 1.775 -0.729 -8.621 1.00 0.00 O ATOM 0 H SER A 87 -0.500 -1.138 -6.770 1.00 0.00 H new ATOM 0 HA SER A 87 -0.887 -2.629 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.406 -0.960 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.187 -0.116 -8.723 1.00 0.00 H new ATOM 0 HG SER A 87 1.817 -0.790 -7.644 1.00 0.00 H new ATOM 1364 N ASN A 88 1.730 -3.306 -7.316 1.00 0.00 N ATOM 1365 CA ASN A 88 2.825 -4.250 -7.123 1.00 0.00 C ATOM 1366 C ASN A 88 2.302 -5.682 -7.054 1.00 0.00 C ATOM 1367 O ASN A 88 2.700 -6.538 -7.846 1.00 0.00 O ATOM 1368 CB ASN A 88 3.595 -3.915 -5.844 1.00 0.00 C ATOM 1369 CG ASN A 88 4.639 -2.837 -6.064 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.037 -2.564 -7.197 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.088 -2.218 -4.978 1.00 0.00 N ATOM 0 H ASN A 88 1.581 -2.667 -6.535 1.00 0.00 H new ATOM 0 HA ASN A 88 3.498 -4.168 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.894 -3.587 -5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.080 -4.816 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.791 -1.484 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.730 -2.477 -4.059 1.00 0.00 H new ATOM 1378 N CYS A 89 1.409 -5.935 -6.104 1.00 0.00 N ATOM 1379 CA CYS A 89 0.831 -7.263 -5.932 1.00 0.00 C ATOM 1380 C CYS A 89 0.235 -7.771 -7.241 1.00 0.00 C ATOM 1381 O CYS A 89 0.294 -8.963 -7.540 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.244 -7.237 -4.844 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.595 -6.081 -5.169 1.00 0.00 S ATOM 0 H CYS A 89 1.069 -5.238 -5.441 1.00 0.00 H new ATOM 0 HA CYS A 89 1.628 -7.942 -5.629 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.657 -8.240 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.222 -6.976 -3.894 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.293 -5.337 -6.191 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.340 -6.858 -8.016 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.951 -7.214 -9.291 1.00 0.00 C ATOM 1391 C TYR A 90 0.114 -7.479 -10.350 1.00 0.00 C ATOM 1392 O TYR A 90 -0.122 -8.202 -11.319 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.887 -6.099 -9.761 1.00 0.00 C ATOM 1394 CG TYR A 90 -3.199 -6.053 -9.012 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.919 -7.215 -8.762 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.719 -4.849 -8.555 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -5.119 -7.178 -8.078 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.918 -4.803 -7.870 1.00 0.00 C ATOM 1399 CZ TYR A 90 -5.614 -5.970 -7.634 1.00 0.00 C ATOM 1400 OH TYR A 90 -6.809 -5.929 -6.952 1.00 0.00 O ATOM 0 H TYR A 90 -0.396 -5.866 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.528 -8.127 -9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.381 -5.140 -9.649 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.090 -6.230 -10.824 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.534 -8.163 -9.108 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.177 -3.933 -8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.666 -8.090 -7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.308 -3.858 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.015 -5.002 -6.708 1.00 0.00 H new ATOM 1410 N LYS A 91 1.289 -6.890 -10.159 1.00 0.00 N ATOM 1411 CA LYS A 91 2.394 -7.062 -11.095 1.00 0.00 C ATOM 1412 C LYS A 91 3.229 -8.286 -10.731 1.00 0.00 C ATOM 1413 O LYS A 91 3.265 -9.268 -11.473 1.00 0.00 O ATOM 1414 CB LYS A 91 3.279 -5.814 -11.107 1.00 0.00 C ATOM 1415 CG LYS A 91 4.441 -5.902 -12.081 1.00 0.00 C ATOM 1416 CD LYS A 91 5.473 -4.817 -11.817 1.00 0.00 C ATOM 1417 CE LYS A 91 6.252 -4.471 -13.076 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.125 -5.595 -13.515 1.00 0.00 N ATOM 0 H LYS A 91 1.501 -6.288 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 91 1.974 -7.212 -12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.668 -4.948 -11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.669 -5.646 -10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.912 -6.881 -11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.069 -5.811 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.975 -3.924 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.162 -5.150 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.556 -4.218 -13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.863 -3.587 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.370 -5.473 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.994 -5.603 -12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.621 -6.496 -13.389 1.00 0.00 H new ATOM 1432 N TYR A 92 3.897 -8.221 -9.585 1.00 0.00 N ATOM 1433 CA TYR A 92 4.732 -9.324 -9.123 1.00 0.00 C ATOM 1434 C TYR A 92 3.986 -10.651 -9.221 1.00 0.00 C ATOM 1435 O TYR A 92 4.309 -11.498 -10.053 1.00 0.00 O ATOM 1436 CB TYR A 92 5.180 -9.083 -7.681 1.00 0.00 C ATOM 1437 CG TYR A 92 6.339 -9.955 -7.253 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.593 -9.813 -7.837 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.181 -10.920 -6.267 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.654 -10.608 -7.450 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.238 -11.718 -5.873 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.472 -11.558 -6.467 1.00 0.00 C ATOM 1443 OH TYR A 92 9.527 -12.352 -6.078 1.00 0.00 O ATOM 0 H TYR A 92 3.877 -7.416 -8.959 1.00 0.00 H new ATOM 0 HA TYR A 92 5.611 -9.374 -9.766 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.462 -8.036 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.337 -9.260 -7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.740 -9.069 -8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.216 -11.049 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.621 -10.486 -7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.098 -12.463 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 92 9.231 -12.968 -5.375 1.00 0.00 H new ATOM 1453 N ASN A 93 2.984 -10.823 -8.365 1.00 0.00 N ATOM 1454 CA ASN A 93 2.190 -12.046 -8.354 1.00 0.00 C ATOM 1455 C ASN A 93 1.406 -12.198 -9.654 1.00 0.00 C ATOM 1456 O ASN A 93 0.872 -11.234 -10.202 1.00 0.00 O ATOM 1457 CB ASN A 93 1.229 -12.045 -7.163 1.00 0.00 C ATOM 1458 CG ASN A 93 1.954 -11.936 -5.836 1.00 0.00 C ATOM 1459 OD1 ASN A 93 2.804 -12.764 -5.510 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.620 -10.909 -5.062 1.00 0.00 N ATOM 0 H ASN A 93 2.703 -10.131 -7.670 1.00 0.00 H new ATOM 0 HA ASN A 93 2.872 -12.891 -8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.532 -11.213 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.637 -12.960 -7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.074 -10.783 -4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.909 -10.246 -5.372 1.00 0.00 H new ATOM 1467 N PRO A 94 1.334 -13.438 -10.160 1.00 0.00 N ATOM 1468 CA PRO A 94 0.617 -13.746 -11.401 1.00 0.00 C ATOM 1469 C PRO A 94 -0.894 -13.617 -11.244 1.00 0.00 C ATOM 1470 O PRO A 94 -1.419 -13.485 -10.138 1.00 0.00 O ATOM 1471 CB PRO A 94 1.003 -15.200 -11.683 1.00 0.00 C ATOM 1472 CG PRO A 94 1.346 -15.766 -10.348 1.00 0.00 C ATOM 1473 CD PRO A 94 1.948 -14.635 -9.560 1.00 0.00 C ATOM 0 HA PRO A 94 0.879 -13.058 -12.205 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.180 -15.746 -12.145 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.849 -15.259 -12.368 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.459 -16.159 -9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.050 -16.593 -10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.716 -14.717 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.034 -14.617 -9.648 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.613 -13.656 -12.376 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.074 -13.546 -12.390 1.00 0.00 C ATOM 1483 C PRO A 95 -3.754 -14.777 -11.801 1.00 0.00 C ATOM 1484 O PRO A 95 -4.981 -14.839 -11.714 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.406 -13.413 -13.879 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.267 -14.068 -14.580 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.054 -13.811 -13.730 1.00 0.00 C ATOM 0 HA PRO A 95 -3.425 -12.710 -11.785 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.351 -13.900 -14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.503 -12.367 -14.171 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.443 -15.137 -14.695 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.136 -13.657 -15.581 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.346 -14.638 -13.780 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.522 -12.915 -14.050 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.950 -15.754 -11.396 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.474 -16.984 -10.813 1.00 0.00 C ATOM 1497 C ASP A 96 -3.335 -16.967 -9.294 1.00 0.00 C ATOM 1498 O ASP A 96 -4.164 -17.530 -8.578 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.746 -18.198 -11.391 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.185 -18.516 -12.807 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -4.387 -18.353 -13.107 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -2.327 -18.928 -13.616 1.00 0.00 O ATOM 0 H ASP A 96 -1.933 -15.718 -11.461 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.533 -17.053 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.672 -18.013 -11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.927 -19.064 -10.754 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.280 -16.319 -8.809 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.032 -16.230 -7.374 1.00 0.00 C ATOM 1509 C HIS A 97 -3.315 -15.894 -6.620 1.00 0.00 C ATOM 1510 O HIS A 97 -4.011 -14.937 -6.959 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.965 -15.174 -7.085 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.183 -15.439 -5.835 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.756 -15.921 -4.677 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.135 -15.289 -5.567 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.176 -16.053 -3.750 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.333 -15.677 -4.265 1.00 0.00 N ATOM 0 H HIS A 97 -1.584 -15.849 -9.388 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.674 -17.201 -7.031 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.278 -15.123 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.444 -14.198 -7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.891 -14.931 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.019 -16.408 -2.742 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.228 -15.675 -3.775 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.621 -16.687 -5.599 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.821 -16.473 -4.799 1.00 0.00 C ATOM 1526 C GLU A 98 -4.787 -15.107 -4.121 1.00 0.00 C ATOM 1527 O GLU A 98 -5.747 -14.340 -4.196 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.962 -17.574 -3.745 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.153 -17.317 -2.485 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.325 -18.410 -1.448 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.364 -18.413 -0.755 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.420 -19.262 -1.330 1.00 0.00 O ATOM 0 H GLU A 98 -3.055 -17.483 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.682 -16.507 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.014 -17.676 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.650 -18.524 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.098 -17.232 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.453 -16.362 -2.054 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.674 -14.809 -3.459 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.513 -13.535 -2.767 1.00 0.00 C ATOM 1541 C VAL A 99 -4.056 -12.383 -3.606 1.00 0.00 C ATOM 1542 O VAL A 99 -4.634 -11.434 -3.076 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.035 -13.261 -2.433 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.324 -12.637 -3.624 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.924 -12.366 -1.208 1.00 0.00 C ATOM 0 H VAL A 99 -2.870 -15.432 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.080 -13.604 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.550 -14.211 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.281 -12.451 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.373 -13.317 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.807 -11.695 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.873 -12.182 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.425 -11.418 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.395 -12.856 -0.356 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.865 -12.472 -4.918 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.336 -11.438 -5.831 1.00 0.00 C ATOM 1557 C VAL A 100 -5.825 -11.173 -5.641 1.00 0.00 C ATOM 1558 O VAL A 100 -6.268 -10.025 -5.647 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.078 -11.825 -7.300 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.632 -10.763 -8.237 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.592 -12.038 -7.541 1.00 0.00 C ATOM 0 H VAL A 100 -3.387 -13.250 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.776 -10.532 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.594 -12.762 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.440 -11.053 -9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.706 -10.665 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.147 -9.809 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.428 -12.311 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.052 -11.118 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.230 -12.838 -6.895 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.594 -12.244 -5.471 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.034 -12.128 -5.275 1.00 0.00 C ATOM 1573 C ALA A 101 -8.354 -11.402 -3.974 1.00 0.00 C ATOM 1574 O ALA A 101 -9.352 -10.688 -3.880 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.680 -13.505 -5.287 1.00 0.00 C ATOM 0 H ALA A 101 -6.244 -13.202 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.442 -11.540 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.755 -13.404 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.489 -13.988 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.259 -14.111 -4.485 1.00 0.00 H new ATOM 1581 N MET A 102 -7.502 -11.589 -2.971 1.00 0.00 N ATOM 1582 CA MET A 102 -7.695 -10.950 -1.675 1.00 0.00 C ATOM 1583 C MET A 102 -7.410 -9.454 -1.758 1.00 0.00 C ATOM 1584 O MET A 102 -8.108 -8.645 -1.147 1.00 0.00 O ATOM 1585 CB MET A 102 -6.791 -11.597 -0.624 1.00 0.00 C ATOM 1586 CG MET A 102 -7.126 -13.053 -0.346 1.00 0.00 C ATOM 1587 SD MET A 102 -6.714 -13.552 1.337 1.00 0.00 S ATOM 1588 CE MET A 102 -5.012 -13.003 1.445 1.00 0.00 C ATOM 0 H MET A 102 -6.671 -12.178 -3.031 1.00 0.00 H new ATOM 0 HA MET A 102 -8.736 -11.087 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.755 -11.528 -0.956 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.866 -11.032 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.190 -13.216 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.587 -13.687 -1.051 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.403 -13.792 1.886 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.640 -12.773 0.447 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.957 -12.110 2.068 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.380 -9.094 -2.516 1.00 0.00 N ATOM 1599 CA ALA A 103 -6.004 -7.695 -2.680 1.00 0.00 C ATOM 1600 C ALA A 103 -7.166 -6.875 -3.229 1.00 0.00 C ATOM 1601 O ALA A 103 -7.353 -5.717 -2.853 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.794 -7.578 -3.595 1.00 0.00 C ATOM 0 H ALA A 103 -5.791 -9.752 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.744 -7.297 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.524 -6.528 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.956 -8.123 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.034 -7.999 -4.571 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.944 -7.481 -4.120 1.00 0.00 N ATOM 1609 CA ARG A 104 -9.087 -6.806 -4.721 1.00 0.00 C ATOM 1610 C ARG A 104 -10.105 -6.408 -3.657 1.00 0.00 C ATOM 1611 O ARG A 104 -10.433 -5.231 -3.505 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.749 -7.708 -5.764 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.889 -7.951 -6.994 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.290 -9.231 -7.710 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.486 -9.049 -8.528 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.794 -9.825 -9.561 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -9.999 -10.830 -9.901 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -11.900 -9.596 -10.257 1.00 0.00 N ATOM 0 H ARG A 104 -7.803 -8.439 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.726 -5.901 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.988 -8.666 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.693 -7.259 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.982 -7.106 -7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.841 -8.010 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.467 -9.566 -8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.469 -10.016 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.119 -8.285 -8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.148 -11.009 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.239 -11.424 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.514 -8.824 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.136 -10.192 -11.050 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.603 -7.397 -2.923 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.584 -7.152 -1.872 1.00 0.00 C ATOM 1634 C LYS A 105 -11.267 -5.862 -1.122 1.00 0.00 C ATOM 1635 O LYS A 105 -12.155 -5.049 -0.863 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.618 -8.328 -0.894 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.452 -9.501 -1.381 1.00 0.00 C ATOM 1638 CD LYS A 105 -12.105 -10.779 -0.637 1.00 0.00 C ATOM 1639 CE LYS A 105 -13.018 -11.926 -1.042 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.588 -12.552 -2.323 1.00 0.00 N ATOM 0 H LYS A 105 -10.343 -8.377 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.563 -7.048 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.599 -8.668 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.014 -7.984 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.510 -9.277 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.290 -9.645 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.069 -11.049 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.186 -10.610 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.026 -12.679 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.039 -11.559 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.236 -13.329 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.605 -11.840 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.623 -12.925 -2.220 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.997 -5.681 -0.777 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.562 -4.488 -0.058 1.00 0.00 C ATOM 1656 C LEU A 106 -9.649 -3.253 -0.950 1.00 0.00 C ATOM 1657 O LEU A 106 -10.179 -2.220 -0.543 1.00 0.00 O ATOM 1658 CB LEU A 106 -8.130 -4.667 0.447 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.543 -3.492 1.230 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.922 -3.588 2.700 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -6.030 -3.447 1.069 1.00 0.00 C ATOM 0 H LEU A 106 -9.250 -6.345 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.226 -4.345 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.098 -5.553 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.486 -4.865 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.959 -2.568 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.496 -2.744 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.007 -3.571 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.535 -4.518 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.629 -2.605 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.596 -4.374 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.780 -3.330 0.015 1.00 0.00 H new ATOM 1673 N GLN A 107 -9.125 -3.370 -2.166 1.00 0.00 N ATOM 1674 CA GLN A 107 -9.145 -2.263 -3.115 1.00 0.00 C ATOM 1675 C GLN A 107 -10.550 -1.685 -3.249 1.00 0.00 C ATOM 1676 O GLN A 107 -10.735 -0.468 -3.244 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.639 -2.726 -4.482 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.465 -1.594 -5.482 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.898 -2.067 -6.806 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -6.788 -1.696 -7.186 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -8.659 -2.892 -7.515 1.00 0.00 N ATOM 0 H GLN A 107 -8.682 -4.219 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.485 -1.482 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.684 -3.236 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.338 -3.456 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.429 -1.115 -5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.805 -0.838 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.573 -3.174 -7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.329 -3.244 -8.414 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.537 -2.566 -3.368 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.927 -2.144 -3.503 1.00 0.00 C ATOM 1692 C ASP A 108 -13.312 -1.179 -2.387 1.00 0.00 C ATOM 1693 O ASP A 108 -14.083 -0.243 -2.600 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.855 -3.360 -3.486 1.00 0.00 C ATOM 1695 CG ASP A 108 -15.136 -3.121 -4.261 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -15.084 -3.130 -5.509 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -16.190 -2.923 -3.620 1.00 0.00 O ATOM 0 H ASP A 108 -11.401 -3.577 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.034 -1.629 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.333 -4.218 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.100 -3.612 -2.454 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.771 -1.413 -1.195 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.058 -0.564 -0.045 1.00 0.00 C ATOM 1704 C VAL A 109 -12.296 0.754 -0.131 1.00 0.00 C ATOM 1705 O VAL A 109 -12.895 1.829 -0.147 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.696 -1.268 1.276 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.936 -0.342 2.458 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.490 -2.557 1.428 1.00 0.00 C ATOM 0 H VAL A 109 -12.132 -2.184 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.129 -0.363 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.636 -1.522 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.675 -0.857 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.319 0.550 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.987 -0.055 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.221 -3.041 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.556 -2.330 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.262 -3.225 0.597 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.972 0.663 -0.187 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.127 1.849 -0.271 1.00 0.00 C ATOM 1720 C PHE A 110 -10.614 2.787 -1.372 1.00 0.00 C ATOM 1721 O PHE A 110 -10.566 4.008 -1.227 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.674 1.448 -0.534 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.774 2.614 -0.827 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.184 3.327 0.204 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.518 2.998 -2.133 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.356 4.401 -0.063 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.691 4.071 -2.407 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.108 4.773 -1.370 1.00 0.00 C ATOM 0 H PHE A 110 -10.460 -0.219 -0.176 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.185 2.374 0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.290 0.912 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.643 0.755 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.373 3.040 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.970 2.452 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.903 4.949 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.501 4.360 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.460 5.611 -1.581 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.083 2.206 -2.472 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.577 2.990 -3.598 1.00 0.00 C ATOM 1740 C GLU A 111 -12.785 3.827 -3.188 1.00 0.00 C ATOM 1741 O GLU A 111 -12.786 5.049 -3.338 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.951 2.071 -4.763 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.750 1.468 -5.472 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.078 2.446 -6.415 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.796 3.236 -7.063 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -8.832 2.422 -6.506 1.00 0.00 O ATOM 0 H GLU A 111 -11.131 1.196 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.781 3.663 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.585 1.266 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.543 2.635 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.027 1.129 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.067 0.589 -6.032 1.00 0.00 H new ATOM 1753 N MET A 112 -13.812 3.160 -2.672 1.00 0.00 N ATOM 1754 CA MET A 112 -15.027 3.843 -2.240 1.00 0.00 C ATOM 1755 C MET A 112 -14.729 4.815 -1.103 1.00 0.00 C ATOM 1756 O MET A 112 -15.339 5.880 -1.009 1.00 0.00 O ATOM 1757 CB MET A 112 -16.078 2.825 -1.794 1.00 0.00 C ATOM 1758 CG MET A 112 -15.668 2.024 -0.570 1.00 0.00 C ATOM 1759 SD MET A 112 -17.076 1.294 0.288 1.00 0.00 S ATOM 1760 CE MET A 112 -17.931 0.506 -1.075 1.00 0.00 C ATOM 0 H MET A 112 -13.828 2.148 -2.543 1.00 0.00 H new ATOM 0 HA MET A 112 -15.416 4.410 -3.086 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.010 3.348 -1.580 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.279 2.139 -2.617 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.982 1.233 -0.872 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.125 2.672 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.650 -0.215 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.455 1.261 -1.661 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.209 -0.009 -1.709 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.789 4.441 -0.241 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.412 5.280 0.890 1.00 0.00 C ATOM 1772 C ARG A 113 -12.838 6.611 0.413 1.00 0.00 C ATOM 1773 O ARG A 113 -13.240 7.676 0.882 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.389 4.557 1.769 1.00 0.00 C ATOM 1775 CG ARG A 113 -12.976 3.398 2.559 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.645 3.877 3.838 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.410 2.816 4.486 1.00 0.00 N ATOM 1778 CZ ARG A 113 -15.589 2.387 4.048 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.134 2.927 2.966 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -16.224 1.417 4.692 1.00 0.00 N ATOM 0 H ARG A 113 -13.275 3.562 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.309 5.480 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.581 4.184 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.949 5.273 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.703 2.868 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.187 2.687 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.886 4.249 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.306 4.713 3.610 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.018 2.380 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.648 3.673 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.039 2.596 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.807 1.000 5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -17.129 1.088 4.355 1.00 0.00 H new ATOM 1794 N PHE A 114 -11.896 6.542 -0.521 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.265 7.741 -1.061 1.00 0.00 C ATOM 1796 C PHE A 114 -12.315 8.732 -1.555 1.00 0.00 C ATOM 1797 O PHE A 114 -12.315 9.899 -1.164 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.317 7.374 -2.204 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.296 8.435 -2.500 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.450 8.898 -1.505 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.182 8.970 -3.773 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.509 9.874 -1.774 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.242 9.946 -4.048 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.406 10.399 -3.047 1.00 0.00 C ATOM 0 H PHE A 114 -11.552 5.668 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.693 8.212 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.803 6.446 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.902 7.183 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.527 8.491 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -9.835 8.621 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.855 10.226 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.162 10.354 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.673 11.163 -3.259 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.209 8.258 -2.417 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.265 9.101 -2.963 1.00 0.00 C ATOM 1816 C ALA A 115 -15.223 9.559 -1.869 1.00 0.00 C ATOM 1817 O ALA A 115 -15.546 10.743 -1.768 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.023 8.357 -4.053 1.00 0.00 C ATOM 0 H ALA A 115 -13.223 7.295 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.801 9.987 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.809 8.998 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.335 8.085 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.469 7.454 -3.635 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.675 8.615 -1.051 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.596 8.921 0.037 1.00 0.00 C ATOM 1826 C LYS A 116 -16.236 10.248 0.697 1.00 0.00 C ATOM 1827 O LYS A 116 -17.096 11.105 0.899 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.579 7.800 1.078 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.395 6.583 0.675 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.839 6.705 1.132 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.644 5.465 0.772 1.00 0.00 C ATOM 1832 NZ LYS A 116 -21.092 5.639 1.070 1.00 0.00 N ATOM 0 H LYS A 116 -15.418 7.630 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.599 9.004 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.548 7.494 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.961 8.187 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.364 6.465 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.950 5.686 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.869 6.859 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.294 7.582 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.515 5.243 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.259 4.609 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.606 4.773 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.217 5.826 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.465 6.440 0.522 1.00 0.00 H new ATOM 1846 N MET A 117 -14.960 10.410 1.031 1.00 0.00 N ATOM 1847 CA MET A 117 -14.486 11.635 1.667 1.00 0.00 C ATOM 1848 C MET A 117 -15.247 12.848 1.142 1.00 0.00 C ATOM 1849 O MET A 117 -14.856 13.455 0.144 1.00 0.00 O ATOM 1850 CB MET A 117 -12.986 11.813 1.424 1.00 0.00 C ATOM 1851 CG MET A 117 -12.389 13.001 2.161 1.00 0.00 C ATOM 1852 SD MET A 117 -10.946 13.684 1.323 1.00 0.00 S ATOM 1853 CE MET A 117 -9.939 12.215 1.132 1.00 0.00 C ATOM 0 H MET A 117 -14.236 9.709 0.872 1.00 0.00 H new ATOM 0 HA MET A 117 -14.665 11.552 2.739 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.466 10.906 1.732 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.811 11.933 0.355 1.00 0.00 H new ATOM 0 HG2 MET A 117 -13.146 13.778 2.264 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.108 12.695 3.169 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.954 12.495 0.759 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.834 11.718 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.415 11.537 0.424 1.00 0.00 H new