USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=29 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 89 CYS SG : rot -92:sc= 0.401 USER MOD Set 1.2: A 93 ASN : amide:sc= 0.104 K(o=0.5,f=-0.22) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.964! C(o=0.32!,f=-6.2!) USER MOD Set 2.2: A 32 TYR OH : rot -114:sc= 1.29 USER MOD Set 3.1: A 17 CYS SG : rot -49:sc= -4.57! USER MOD Set 3.2: A 67 MET CE :methyl -173:sc= -3.86! (180deg=-0.944) USER MOD Single : A 11 SER OG : rot 180:sc= 0.525 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.635 F(o=-1.9,f=-0.63) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.502 USER MOD Single : A 19 SER OG : rot -80:sc= 1.06 USER MOD Single : A 24 MET CE :methyl -127:sc= -1.15 (180deg=-1.41) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.985 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0105 (180deg=-0.16) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-2.8) USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.521 (180deg=-1.98!) USER MOD Single : A 56 HIS : no HE2:sc= -1.05 K(o=-1,f=-5.3!) USER MOD Single : A 58 MET CE :methyl -154:sc= -0.455 (180deg=-1.81!) USER MOD Single : A 61 SER OG : rot 28:sc= -0.507 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.271 (180deg=-0.541) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.104 (180deg=-0.497) USER MOD Single : A 72 TYR OH : rot 15:sc= -1.73 USER MOD Single : A 76 GLN : amide:sc= -0.0275 K(o=-0.027,f=-0.6) USER MOD Single : A 85 MET CE :methyl 162:sc= -0.286 (180deg=-0.687) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.72! C(o=-1.7!,f=-5.9!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0127 USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= 0.2 (180deg=-2.67!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-4!) USER MOD Single : A 102 MET CE :methyl -124:sc= -2.5 (180deg=-5.27!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.46! C(o=-2.5!,f=-3.2!) USER MOD Single : A 112 MET CE :methyl -153:sc= -0.308 (180deg=-0.976) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -172:sc= -0.415 (180deg=-0.595) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.622 18.254 6.583 1.00 0.00 N ATOM 115 CA SER A 11 -5.622 19.072 5.906 1.00 0.00 C ATOM 116 C SER A 11 -7.013 18.464 6.056 1.00 0.00 C ATOM 117 O SER A 11 -7.161 17.333 6.517 1.00 0.00 O ATOM 118 CB SER A 11 -5.273 19.217 4.423 1.00 0.00 C ATOM 119 OG SER A 11 -5.858 18.178 3.658 1.00 0.00 O ATOM 0 HA SER A 11 -5.624 20.058 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.621 20.183 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.190 19.200 4.298 1.00 0.00 H new ATOM 0 HG SER A 11 -5.621 18.294 2.714 1.00 0.00 H new ATOM 125 N GLU A 12 -8.030 19.225 5.662 1.00 0.00 N ATOM 126 CA GLU A 12 -9.410 18.762 5.753 1.00 0.00 C ATOM 127 C GLU A 12 -9.593 17.447 5.002 1.00 0.00 C ATOM 128 O GLU A 12 -10.395 16.600 5.396 1.00 0.00 O ATOM 129 CB GLU A 12 -10.364 19.819 5.193 1.00 0.00 C ATOM 130 CG GLU A 12 -11.816 19.594 5.580 1.00 0.00 C ATOM 131 CD GLU A 12 -12.776 20.425 4.750 1.00 0.00 C ATOM 132 OE1 GLU A 12 -12.397 20.827 3.630 1.00 0.00 O ATOM 133 OE2 GLU A 12 -13.906 20.671 5.221 1.00 0.00 O ATOM 0 H GLU A 12 -7.924 20.164 5.277 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.642 18.595 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.051 20.802 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.284 19.829 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.060 18.538 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.949 19.837 6.634 1.00 0.00 H new ATOM 140 N HIS A 13 -8.844 17.283 3.916 1.00 0.00 N ATOM 141 CA HIS A 13 -8.923 16.071 3.108 1.00 0.00 C ATOM 142 C HIS A 13 -8.026 14.977 3.680 1.00 0.00 C ATOM 143 O HIS A 13 -8.425 13.815 3.768 1.00 0.00 O ATOM 144 CB HIS A 13 -8.525 16.369 1.663 1.00 0.00 C ATOM 145 CG HIS A 13 -9.675 16.785 0.798 1.00 0.00 C ATOM 146 ND1 HIS A 13 -11.003 16.552 0.919 1.00 0.00 N flip ATOM 147 CD2 HIS A 13 -9.521 17.533 -0.350 1.00 0.00 C flip ATOM 148 CE1 HIS A 13 -11.621 17.158 -0.147 1.00 0.00 C flip ATOM 149 NE2 HIS A 13 -10.705 17.743 -0.898 1.00 0.00 N flip ATOM 0 H HIS A 13 -8.176 17.974 3.575 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.954 15.718 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.773 17.158 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.060 15.482 1.233 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -11.459 16.025 1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.580 17.891 -0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -12.684 17.157 -0.340 1.00 0.00 H new ATOM 157 N LEU A 14 -6.813 15.356 4.067 1.00 0.00 N ATOM 158 CA LEU A 14 -5.858 14.407 4.630 1.00 0.00 C ATOM 159 C LEU A 14 -6.389 13.806 5.927 1.00 0.00 C ATOM 160 O LEU A 14 -6.523 12.589 6.050 1.00 0.00 O ATOM 161 CB LEU A 14 -4.516 15.095 4.884 1.00 0.00 C ATOM 162 CG LEU A 14 -3.277 14.203 4.790 1.00 0.00 C ATOM 163 CD1 LEU A 14 -3.069 13.727 3.360 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.046 14.946 5.290 1.00 0.00 C ATOM 0 H LEU A 14 -6.467 16.313 4.001 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.715 13.601 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.407 15.911 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.542 15.543 5.877 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.433 13.330 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.183 13.094 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.940 13.157 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.935 14.588 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.174 14.296 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.887 15.837 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.194 15.237 6.330 1.00 0.00 H new ATOM 176 N ARG A 15 -6.690 14.668 6.893 1.00 0.00 N ATOM 177 CA ARG A 15 -7.207 14.223 8.181 1.00 0.00 C ATOM 178 C ARG A 15 -8.181 13.062 8.004 1.00 0.00 C ATOM 179 O ARG A 15 -8.308 12.206 8.879 1.00 0.00 O ATOM 180 CB ARG A 15 -7.900 15.379 8.904 1.00 0.00 C ATOM 181 CG ARG A 15 -9.325 15.624 8.435 1.00 0.00 C ATOM 182 CD ARG A 15 -10.001 16.714 9.252 1.00 0.00 C ATOM 183 NE ARG A 15 -10.544 16.200 10.507 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.253 16.934 11.356 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.503 18.208 11.087 1.00 0.00 N ATOM 186 NH2 ARG A 15 -11.713 16.395 12.478 1.00 0.00 N ATOM 0 H ARG A 15 -6.585 15.679 6.808 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.365 13.880 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.909 15.174 9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.317 16.289 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.319 15.907 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.899 14.701 8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.283 17.506 9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.804 17.161 8.666 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.369 15.224 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.150 18.626 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.048 18.770 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.522 15.416 12.689 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.258 16.960 13.129 1.00 0.00 H new ATOM 200 N TYR A 16 -8.867 13.041 6.866 1.00 0.00 N ATOM 201 CA TYR A 16 -9.832 11.987 6.576 1.00 0.00 C ATOM 202 C TYR A 16 -9.138 10.757 5.998 1.00 0.00 C ATOM 203 O TYR A 16 -9.471 9.623 6.345 1.00 0.00 O ATOM 204 CB TYR A 16 -10.893 12.495 5.597 1.00 0.00 C ATOM 205 CG TYR A 16 -11.875 11.430 5.164 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.472 10.368 4.365 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.208 11.487 5.555 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.366 9.393 3.967 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.109 10.516 5.162 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.684 9.472 4.368 1.00 0.00 C ATOM 211 OH TYR A 16 -14.578 8.503 3.974 1.00 0.00 O ATOM 0 H TYR A 16 -8.773 13.741 6.130 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.315 11.703 7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.440 13.315 6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.397 12.901 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.441 10.303 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.545 12.304 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.035 8.574 3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.141 10.574 5.475 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.463 8.706 4.342 1.00 0.00 H new ATOM 221 N CYS A 17 -8.173 10.990 5.116 1.00 0.00 N ATOM 222 CA CYS A 17 -7.431 9.902 4.489 1.00 0.00 C ATOM 223 C CYS A 17 -6.687 9.078 5.535 1.00 0.00 C ATOM 224 O CYS A 17 -6.333 7.924 5.293 1.00 0.00 O ATOM 225 CB CYS A 17 -6.443 10.456 3.461 1.00 0.00 C ATOM 226 SG CYS A 17 -4.861 10.978 4.165 1.00 0.00 S ATOM 0 H CYS A 17 -7.886 11.922 4.819 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.145 9.253 3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.258 9.694 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.901 11.305 2.954 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.075 11.731 5.203 1.00 0.00 H new ATOM 232 N ASP A 18 -6.451 9.679 6.696 1.00 0.00 N ATOM 233 CA ASP A 18 -5.748 9.001 7.779 1.00 0.00 C ATOM 234 C ASP A 18 -6.622 7.915 8.397 1.00 0.00 C ATOM 235 O ASP A 18 -6.117 6.957 8.984 1.00 0.00 O ATOM 236 CB ASP A 18 -5.329 10.008 8.851 1.00 0.00 C ATOM 237 CG ASP A 18 -4.788 9.334 10.097 1.00 0.00 C ATOM 238 OD1 ASP A 18 -5.591 8.740 10.846 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.561 9.402 10.324 1.00 0.00 O ATOM 0 H ASP A 18 -6.736 10.634 6.911 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.856 8.532 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.569 10.674 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.185 10.627 9.119 1.00 0.00 H new ATOM 244 N SER A 19 -7.935 8.070 8.263 1.00 0.00 N ATOM 245 CA SER A 19 -8.880 7.105 8.813 1.00 0.00 C ATOM 246 C SER A 19 -9.059 5.921 7.868 1.00 0.00 C ATOM 247 O SER A 19 -9.425 4.824 8.291 1.00 0.00 O ATOM 248 CB SER A 19 -10.231 7.773 9.073 1.00 0.00 C ATOM 249 OG SER A 19 -10.807 8.245 7.867 1.00 0.00 O ATOM 0 H SER A 19 -8.369 8.855 7.778 1.00 0.00 H new ATOM 0 HA SER A 19 -8.477 6.737 9.757 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.906 7.062 9.548 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.102 8.603 9.767 1.00 0.00 H new ATOM 0 HG SER A 19 -10.398 9.101 7.622 1.00 0.00 H new ATOM 255 N ILE A 20 -8.797 6.151 6.585 1.00 0.00 N ATOM 256 CA ILE A 20 -8.928 5.103 5.580 1.00 0.00 C ATOM 257 C ILE A 20 -7.933 3.974 5.829 1.00 0.00 C ATOM 258 O ILE A 20 -8.194 2.818 5.495 1.00 0.00 O ATOM 259 CB ILE A 20 -8.712 5.657 4.159 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.679 6.811 3.886 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.891 4.553 3.127 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.575 7.368 2.483 1.00 0.00 C ATOM 0 H ILE A 20 -8.493 7.053 6.218 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.943 4.714 5.660 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.693 6.036 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.699 6.468 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.488 7.611 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.735 4.960 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.166 3.760 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.900 4.147 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.289 8.182 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.565 7.742 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.795 6.581 1.762 1.00 0.00 H new ATOM 274 N LEU A 21 -6.794 4.317 6.420 1.00 0.00 N ATOM 275 CA LEU A 21 -5.760 3.332 6.717 1.00 0.00 C ATOM 276 C LEU A 21 -6.116 2.527 7.963 1.00 0.00 C ATOM 277 O LEU A 21 -5.907 1.315 8.012 1.00 0.00 O ATOM 278 CB LEU A 21 -4.409 4.024 6.912 1.00 0.00 C ATOM 279 CG LEU A 21 -3.234 3.113 7.268 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.163 1.934 6.310 1.00 0.00 C ATOM 281 CD2 LEU A 21 -1.929 3.895 7.251 1.00 0.00 C ATOM 0 H LEU A 21 -6.563 5.269 6.703 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.692 2.647 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.162 4.560 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.516 4.770 7.699 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.391 2.727 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.321 1.297 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.087 1.359 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.030 2.300 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.103 3.231 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.766 4.310 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.981 4.706 7.978 1.00 0.00 H new ATOM 293 N ARG A 22 -6.657 3.209 8.967 1.00 0.00 N ATOM 294 CA ARG A 22 -7.043 2.558 10.213 1.00 0.00 C ATOM 295 C ARG A 22 -8.106 1.492 9.962 1.00 0.00 C ATOM 296 O ARG A 22 -8.201 0.512 10.699 1.00 0.00 O ATOM 297 CB ARG A 22 -7.567 3.591 11.212 1.00 0.00 C ATOM 298 CG ARG A 22 -9.071 3.802 11.138 1.00 0.00 C ATOM 299 CD ARG A 22 -9.812 2.863 12.077 1.00 0.00 C ATOM 300 NE ARG A 22 -11.096 3.415 12.502 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.216 4.518 13.232 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.135 5.183 13.616 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.418 4.958 13.579 1.00 0.00 N ATOM 0 H ARG A 22 -6.838 4.213 8.942 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.160 2.075 10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.302 3.275 12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.066 4.543 11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.308 4.835 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.412 3.640 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.975 1.907 11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.195 2.665 12.953 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.947 2.927 12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.209 4.848 13.351 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.230 6.030 14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.252 4.449 13.285 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.509 5.805 14.140 1.00 0.00 H new ATOM 317 N GLU A 23 -8.903 1.693 8.916 1.00 0.00 N ATOM 318 CA GLU A 23 -9.959 0.749 8.570 1.00 0.00 C ATOM 319 C GLU A 23 -9.392 -0.448 7.813 1.00 0.00 C ATOM 320 O GLU A 23 -9.676 -1.598 8.147 1.00 0.00 O ATOM 321 CB GLU A 23 -11.033 1.439 7.726 1.00 0.00 C ATOM 322 CG GLU A 23 -11.810 0.486 6.833 1.00 0.00 C ATOM 323 CD GLU A 23 -12.710 -0.447 7.620 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.178 -1.269 8.396 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.945 -0.357 7.460 1.00 0.00 O ATOM 0 H GLU A 23 -8.837 2.500 8.295 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.409 0.391 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.730 1.952 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.562 2.202 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.414 1.062 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.110 -0.104 6.241 1.00 0.00 H new ATOM 332 N MET A 24 -8.591 -0.169 6.790 1.00 0.00 N ATOM 333 CA MET A 24 -7.983 -1.222 5.985 1.00 0.00 C ATOM 334 C MET A 24 -7.108 -2.128 6.846 1.00 0.00 C ATOM 335 O MET A 24 -6.792 -3.254 6.459 1.00 0.00 O ATOM 336 CB MET A 24 -7.152 -0.614 4.854 1.00 0.00 C ATOM 337 CG MET A 24 -7.990 -0.068 3.710 1.00 0.00 C ATOM 338 SD MET A 24 -7.123 -0.115 2.130 1.00 0.00 S ATOM 339 CE MET A 24 -5.615 0.757 2.545 1.00 0.00 C ATOM 0 H MET A 24 -8.348 0.778 6.499 1.00 0.00 H new ATOM 0 HA MET A 24 -8.783 -1.823 5.554 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.536 0.189 5.258 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.472 -1.372 4.466 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.911 -0.645 3.632 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.276 0.960 3.933 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.458 1.570 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.696 1.165 3.552 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.772 0.068 2.500 1.00 0.00 H new ATOM 349 N LEU A 25 -6.718 -1.629 8.014 1.00 0.00 N ATOM 350 CA LEU A 25 -5.878 -2.394 8.930 1.00 0.00 C ATOM 351 C LEU A 25 -6.718 -3.039 10.028 1.00 0.00 C ATOM 352 O LEU A 25 -6.270 -3.174 11.167 1.00 0.00 O ATOM 353 CB LEU A 25 -4.813 -1.489 9.552 1.00 0.00 C ATOM 354 CG LEU A 25 -3.525 -1.317 8.746 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.647 -0.241 9.365 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.772 -2.637 8.657 1.00 0.00 C ATOM 0 H LEU A 25 -6.970 -0.699 8.349 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.388 -3.184 8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.251 -0.504 9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.554 -1.888 10.533 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.790 -1.003 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.735 -0.133 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.186 0.706 9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.390 -0.524 10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.858 -2.496 8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.519 -2.980 9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.399 -3.381 8.167 1.00 0.00 H new ATOM 368 N SER A 26 -7.936 -3.438 9.678 1.00 0.00 N ATOM 369 CA SER A 26 -8.839 -4.068 10.634 1.00 0.00 C ATOM 370 C SER A 26 -8.907 -5.575 10.405 1.00 0.00 C ATOM 371 O SER A 26 -9.066 -6.036 9.275 1.00 0.00 O ATOM 372 CB SER A 26 -10.238 -3.460 10.524 1.00 0.00 C ATOM 373 OG SER A 26 -11.168 -4.173 11.320 1.00 0.00 O ATOM 0 H SER A 26 -8.321 -3.336 8.739 1.00 0.00 H new ATOM 0 HA SER A 26 -8.451 -3.887 11.636 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.210 -2.417 10.838 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.562 -3.471 9.483 1.00 0.00 H new ATOM 0 HG SER A 26 -12.054 -3.764 11.234 1.00 0.00 H new ATOM 379 N LYS A 27 -8.786 -6.337 11.486 1.00 0.00 N ATOM 380 CA LYS A 27 -8.835 -7.792 11.406 1.00 0.00 C ATOM 381 C LYS A 27 -9.884 -8.247 10.397 1.00 0.00 C ATOM 382 O LYS A 27 -9.759 -9.312 9.792 1.00 0.00 O ATOM 383 CB LYS A 27 -9.143 -8.389 12.782 1.00 0.00 C ATOM 384 CG LYS A 27 -9.112 -9.907 12.807 1.00 0.00 C ATOM 385 CD LYS A 27 -8.731 -10.435 14.179 1.00 0.00 C ATOM 386 CE LYS A 27 -9.954 -10.625 15.063 1.00 0.00 C ATOM 387 NZ LYS A 27 -9.661 -11.497 16.235 1.00 0.00 N ATOM 0 H LYS A 27 -8.653 -5.971 12.429 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.859 -8.145 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.421 -8.007 13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.127 -8.049 13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.090 -10.296 12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.399 -10.269 12.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.207 -11.385 14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.039 -9.742 14.657 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.305 -9.654 15.412 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.761 -11.064 14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.519 -11.602 16.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.351 -12.432 15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.908 -11.066 16.809 1.00 0.00 H new ATOM 401 N LYS A 28 -10.918 -7.432 10.218 1.00 0.00 N ATOM 402 CA LYS A 28 -11.989 -7.748 9.280 1.00 0.00 C ATOM 403 C LYS A 28 -11.441 -7.917 7.866 1.00 0.00 C ATOM 404 O LYS A 28 -11.618 -8.964 7.242 1.00 0.00 O ATOM 405 CB LYS A 28 -13.052 -6.648 9.298 1.00 0.00 C ATOM 406 CG LYS A 28 -14.121 -6.818 8.232 1.00 0.00 C ATOM 407 CD LYS A 28 -14.884 -8.120 8.410 1.00 0.00 C ATOM 408 CE LYS A 28 -16.051 -8.219 7.439 1.00 0.00 C ATOM 409 NZ LYS A 28 -16.787 -9.505 7.586 1.00 0.00 N ATOM 0 H LYS A 28 -11.037 -6.547 10.711 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.444 -8.689 9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.528 -6.630 10.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.566 -5.682 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.816 -5.979 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.658 -6.798 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.209 -8.962 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.254 -8.190 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.735 -7.388 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.682 -8.126 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.574 -9.534 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.141 -10.298 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.161 -9.582 8.553 1.00 0.00 H new ATOM 423 N HIS A 29 -10.774 -6.881 7.368 1.00 0.00 N ATOM 424 CA HIS A 29 -10.198 -6.916 6.028 1.00 0.00 C ATOM 425 C HIS A 29 -8.849 -7.628 6.035 1.00 0.00 C ATOM 426 O HIS A 29 -8.378 -8.096 4.999 1.00 0.00 O ATOM 427 CB HIS A 29 -10.037 -5.497 5.482 1.00 0.00 C ATOM 428 CG HIS A 29 -11.258 -4.647 5.653 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.540 -5.140 5.537 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.387 -3.329 5.935 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.405 -4.162 5.738 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.731 -3.053 5.982 1.00 0.00 N ATOM 0 H HIS A 29 -10.619 -6.008 7.871 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.878 -7.471 5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.197 -5.017 5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.787 -5.550 4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.583 -2.626 6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.481 -4.254 5.708 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.142 -2.140 6.174 1.00 0.00 H new ATOM 440 N ALA A 30 -8.231 -7.704 7.209 1.00 0.00 N ATOM 441 CA ALA A 30 -6.937 -8.359 7.351 1.00 0.00 C ATOM 442 C ALA A 30 -6.909 -9.686 6.601 1.00 0.00 C ATOM 443 O ALA A 30 -5.925 -10.015 5.939 1.00 0.00 O ATOM 444 CB ALA A 30 -6.613 -8.575 8.822 1.00 0.00 C ATOM 0 H ALA A 30 -8.606 -7.320 8.076 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.178 -7.709 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.644 -9.065 8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.582 -7.613 9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.381 -9.202 9.275 1.00 0.00 H new ATOM 450 N ALA A 31 -7.994 -10.445 6.709 1.00 0.00 N ATOM 451 CA ALA A 31 -8.094 -11.736 6.039 1.00 0.00 C ATOM 452 C ALA A 31 -7.532 -11.665 4.623 1.00 0.00 C ATOM 453 O ALA A 31 -6.854 -12.585 4.167 1.00 0.00 O ATOM 454 CB ALA A 31 -9.541 -12.206 6.012 1.00 0.00 C ATOM 0 H ALA A 31 -8.817 -10.188 7.254 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.500 -12.456 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.601 -13.171 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.910 -12.305 7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.150 -11.479 5.475 1.00 0.00 H new ATOM 460 N TYR A 32 -7.819 -10.567 3.933 1.00 0.00 N ATOM 461 CA TYR A 32 -7.345 -10.377 2.567 1.00 0.00 C ATOM 462 C TYR A 32 -6.491 -9.118 2.456 1.00 0.00 C ATOM 463 O TYR A 32 -6.158 -8.675 1.358 1.00 0.00 O ATOM 464 CB TYR A 32 -8.529 -10.291 1.601 1.00 0.00 C ATOM 465 CG TYR A 32 -9.593 -9.309 2.035 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.541 -7.978 1.641 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.652 -9.713 2.839 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.512 -7.077 2.036 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.628 -8.820 3.238 1.00 0.00 C ATOM 470 CZ TYR A 32 -11.553 -7.503 2.834 1.00 0.00 C ATOM 471 OH TYR A 32 -12.522 -6.609 3.228 1.00 0.00 O ATOM 0 H TYR A 32 -8.377 -9.795 4.297 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.729 -11.236 2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.163 -10.005 0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.978 -11.279 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.728 -7.641 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.713 -10.743 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.456 -6.045 1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.445 -9.151 3.862 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.473 -6.480 4.198 1.00 0.00 H new ATOM 481 N ALA A 33 -6.140 -8.547 3.604 1.00 0.00 N ATOM 482 CA ALA A 33 -5.323 -7.341 3.638 1.00 0.00 C ATOM 483 C ALA A 33 -4.034 -7.572 4.420 1.00 0.00 C ATOM 484 O ALA A 33 -3.206 -6.671 4.552 1.00 0.00 O ATOM 485 CB ALA A 33 -6.109 -6.187 4.243 1.00 0.00 C ATOM 0 H ALA A 33 -6.409 -8.901 4.522 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.055 -7.086 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.486 -5.293 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.998 -5.997 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.407 -6.443 5.260 1.00 0.00 H new ATOM 491 N TRP A 34 -3.872 -8.784 4.938 1.00 0.00 N ATOM 492 CA TRP A 34 -2.684 -9.134 5.708 1.00 0.00 C ATOM 493 C TRP A 34 -1.476 -9.310 4.795 1.00 0.00 C ATOM 494 O TRP A 34 -0.333 -9.058 5.177 1.00 0.00 O ATOM 495 CB TRP A 34 -2.927 -10.415 6.507 1.00 0.00 C ATOM 496 CG TRP A 34 -2.988 -11.645 5.652 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.103 -12.364 5.328 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.886 -12.301 5.015 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.761 -13.427 4.528 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.407 -13.410 4.320 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.511 -12.058 4.962 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.599 -14.273 3.584 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.289 -12.915 4.231 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.257 -14.011 3.549 1.00 0.00 C ATOM 0 H TRP A 34 -4.548 -9.541 4.839 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.477 -8.318 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.132 -10.532 7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.862 -10.318 7.060 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.106 -12.131 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.410 -14.117 4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.081 -11.215 5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.017 -15.119 3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.353 -12.737 4.184 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.395 -14.661 2.985 1.00 0.00 H new ATOM 515 N PRO A 35 -1.729 -9.755 3.556 1.00 0.00 N ATOM 516 CA PRO A 35 -0.592 -9.937 2.649 1.00 0.00 C ATOM 517 C PRO A 35 0.338 -8.729 2.636 1.00 0.00 C ATOM 518 O PRO A 35 1.524 -8.850 2.327 1.00 0.00 O ATOM 519 CB PRO A 35 -1.255 -10.117 1.281 1.00 0.00 C ATOM 520 CG PRO A 35 -2.611 -10.655 1.584 1.00 0.00 C ATOM 521 CD PRO A 35 -3.010 -10.108 2.920 1.00 0.00 C ATOM 0 HA PRO A 35 0.037 -10.776 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.316 -9.171 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.688 -10.804 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.325 -10.357 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.599 -11.745 1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.658 -9.238 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.557 -10.846 3.507 1.00 0.00 H new ATOM 529 N PHE A 36 -0.207 -7.565 2.972 1.00 0.00 N ATOM 530 CA PHE A 36 0.575 -6.334 2.999 1.00 0.00 C ATOM 531 C PHE A 36 0.737 -5.823 4.427 1.00 0.00 C ATOM 532 O PHE A 36 0.655 -4.621 4.681 1.00 0.00 O ATOM 533 CB PHE A 36 -0.093 -5.262 2.134 1.00 0.00 C ATOM 534 CG PHE A 36 -0.461 -5.744 0.760 1.00 0.00 C ATOM 535 CD1 PHE A 36 0.456 -5.686 -0.277 1.00 0.00 C ATOM 536 CD2 PHE A 36 -1.724 -6.254 0.505 1.00 0.00 C ATOM 537 CE1 PHE A 36 0.121 -6.129 -1.543 1.00 0.00 C ATOM 538 CE2 PHE A 36 -2.064 -6.698 -0.758 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.141 -6.635 -1.784 1.00 0.00 C ATOM 0 H PHE A 36 -1.187 -7.448 3.229 1.00 0.00 H new ATOM 0 HA PHE A 36 1.564 -6.552 2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.992 -4.907 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.579 -4.409 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.444 -5.290 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.450 -6.305 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.845 -6.079 -2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.051 -7.094 -0.943 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.406 -6.981 -2.772 1.00 0.00 H new ATOM 549 N TYR A 37 0.966 -6.745 5.356 1.00 0.00 N ATOM 550 CA TYR A 37 1.137 -6.389 6.760 1.00 0.00 C ATOM 551 C TYR A 37 2.605 -6.470 7.168 1.00 0.00 C ATOM 552 O TYR A 37 3.082 -5.672 7.975 1.00 0.00 O ATOM 553 CB TYR A 37 0.298 -7.311 7.647 1.00 0.00 C ATOM 554 CG TYR A 37 -1.094 -6.787 7.919 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.820 -6.140 6.927 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.682 -6.937 9.169 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.092 -5.659 7.172 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.953 -6.461 9.422 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.654 -5.822 8.421 1.00 0.00 C ATOM 560 OH TYR A 37 -4.921 -5.345 8.669 1.00 0.00 O ATOM 0 H TYR A 37 1.037 -7.744 5.162 1.00 0.00 H new ATOM 0 HA TYR A 37 0.798 -5.361 6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.223 -8.289 7.171 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.814 -7.457 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.383 -6.011 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.135 -7.435 9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.643 -5.158 6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.396 -6.588 10.399 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.169 -5.542 9.596 1.00 0.00 H new ATOM 570 N LYS A 38 3.316 -7.439 6.603 1.00 0.00 N ATOM 571 CA LYS A 38 4.731 -7.626 6.904 1.00 0.00 C ATOM 572 C LYS A 38 5.597 -7.237 5.711 1.00 0.00 C ATOM 573 O LYS A 38 5.165 -7.279 4.559 1.00 0.00 O ATOM 574 CB LYS A 38 5.003 -9.081 7.293 1.00 0.00 C ATOM 575 CG LYS A 38 4.515 -9.440 8.686 1.00 0.00 C ATOM 576 CD LYS A 38 3.072 -9.917 8.665 1.00 0.00 C ATOM 577 CE LYS A 38 2.980 -11.399 8.337 1.00 0.00 C ATOM 578 NZ LYS A 38 3.448 -12.247 9.468 1.00 0.00 N ATOM 0 H LYS A 38 2.936 -8.108 5.933 1.00 0.00 H new ATOM 0 HA LYS A 38 4.987 -6.978 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.522 -9.738 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.075 -9.270 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.151 -10.219 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.603 -8.571 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.611 -9.729 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.509 -9.344 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.948 -11.654 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.578 -11.613 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.097 -13.218 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.488 -12.255 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.086 -11.862 10.364 1.00 0.00 H new ATOM 592 N PRO A 39 6.851 -6.850 5.990 1.00 0.00 N ATOM 593 CA PRO A 39 7.805 -6.448 4.951 1.00 0.00 C ATOM 594 C PRO A 39 8.255 -7.624 4.091 1.00 0.00 C ATOM 595 O PRO A 39 8.398 -8.744 4.580 1.00 0.00 O ATOM 596 CB PRO A 39 8.984 -5.888 5.751 1.00 0.00 C ATOM 597 CG PRO A 39 8.899 -6.564 7.075 1.00 0.00 C ATOM 598 CD PRO A 39 7.434 -6.775 7.340 1.00 0.00 C ATOM 0 HA PRO A 39 7.370 -5.735 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.933 -6.100 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.914 -4.805 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.434 -7.514 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.352 -5.952 7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.256 -7.689 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.008 -5.954 7.917 1.00 0.00 H new ATOM 606 N VAL A 40 8.476 -7.361 2.807 1.00 0.00 N ATOM 607 CA VAL A 40 8.912 -8.397 1.879 1.00 0.00 C ATOM 608 C VAL A 40 10.423 -8.591 1.941 1.00 0.00 C ATOM 609 O VAL A 40 11.187 -7.736 1.495 1.00 0.00 O ATOM 610 CB VAL A 40 8.508 -8.060 0.431 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.633 -9.288 -0.458 1.00 0.00 C ATOM 612 CG2 VAL A 40 7.093 -7.504 0.390 1.00 0.00 C ATOM 0 H VAL A 40 8.360 -6.439 2.386 1.00 0.00 H new ATOM 0 HA VAL A 40 8.418 -9.320 2.181 1.00 0.00 H new ATOM 0 HB VAL A 40 9.186 -7.296 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.343 -9.031 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.665 -9.638 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.980 -10.076 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.823 -7.271 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.399 -8.245 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.041 -6.597 0.993 1.00 0.00 H new ATOM 622 N ASP A 41 10.846 -9.721 2.497 1.00 0.00 N ATOM 623 CA ASP A 41 12.266 -10.029 2.617 1.00 0.00 C ATOM 624 C ASP A 41 12.696 -11.033 1.551 1.00 0.00 C ATOM 625 O ASP A 41 12.837 -12.224 1.828 1.00 0.00 O ATOM 626 CB ASP A 41 12.575 -10.581 4.009 1.00 0.00 C ATOM 627 CG ASP A 41 13.994 -10.280 4.449 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.903 -10.331 3.595 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.196 -9.996 5.649 1.00 0.00 O ATOM 0 H ASP A 41 10.226 -10.439 2.872 1.00 0.00 H new ATOM 0 HA ASP A 41 12.826 -9.106 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.876 -10.155 4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.418 -11.660 4.012 1.00 0.00 H new ATOM 634 N ALA A 42 12.903 -10.543 0.333 1.00 0.00 N ATOM 635 CA ALA A 42 13.318 -11.397 -0.773 1.00 0.00 C ATOM 636 C ALA A 42 14.317 -12.451 -0.308 1.00 0.00 C ATOM 637 O ALA A 42 14.366 -13.554 -0.851 1.00 0.00 O ATOM 638 CB ALA A 42 13.915 -10.558 -1.892 1.00 0.00 C ATOM 0 H ALA A 42 12.790 -9.559 0.087 1.00 0.00 H new ATOM 0 HA ALA A 42 12.436 -11.913 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.221 -11.209 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.170 -9.848 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.783 -10.015 -1.517 1.00 0.00 H new ATOM 751 N TYR A 50 12.388 -10.385 -6.305 1.00 0.00 N ATOM 752 CA TYR A 50 11.232 -9.516 -6.120 1.00 0.00 C ATOM 753 C TYR A 50 11.604 -8.056 -6.358 1.00 0.00 C ATOM 754 O TYR A 50 11.250 -7.471 -7.382 1.00 0.00 O ATOM 755 CB TYR A 50 10.660 -9.686 -4.712 1.00 0.00 C ATOM 756 CG TYR A 50 9.664 -8.615 -4.330 1.00 0.00 C ATOM 757 CD1 TYR A 50 8.330 -8.715 -4.705 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.056 -7.503 -3.594 1.00 0.00 C ATOM 759 CE1 TYR A 50 7.415 -7.738 -4.359 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.149 -6.523 -3.243 1.00 0.00 C ATOM 761 CZ TYR A 50 7.830 -6.645 -3.627 1.00 0.00 C ATOM 762 OH TYR A 50 6.923 -5.670 -3.280 1.00 0.00 O ATOM 0 HA TYR A 50 10.474 -9.802 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.178 -10.661 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.479 -9.682 -3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.002 -9.571 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.088 -7.404 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.382 -7.830 -4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.471 -5.665 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 50 7.376 -4.970 -2.765 1.00 0.00 H new ATOM 772 N HIS A 51 12.323 -7.473 -5.403 1.00 0.00 N ATOM 773 CA HIS A 51 12.746 -6.081 -5.508 1.00 0.00 C ATOM 774 C HIS A 51 13.345 -5.796 -6.882 1.00 0.00 C ATOM 775 O HIS A 51 13.350 -4.655 -7.343 1.00 0.00 O ATOM 776 CB HIS A 51 13.765 -5.752 -4.416 1.00 0.00 C ATOM 777 CG HIS A 51 13.228 -5.913 -3.027 1.00 0.00 C ATOM 778 ND1 HIS A 51 12.040 -5.352 -2.610 1.00 0.00 N ATOM 779 CD2 HIS A 51 13.724 -6.580 -1.959 1.00 0.00 C ATOM 780 CE1 HIS A 51 11.829 -5.665 -1.344 1.00 0.00 C ATOM 781 NE2 HIS A 51 12.836 -6.409 -0.925 1.00 0.00 N ATOM 0 H HIS A 51 12.624 -7.943 -4.549 1.00 0.00 H new ATOM 0 HA HIS A 51 11.867 -5.450 -5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 51 14.636 -6.397 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.107 -4.726 -4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.646 -7.142 -1.926 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.977 -5.363 -0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.938 -6.794 0.014 1.00 0.00 H new ATOM 789 N ASP A 52 13.849 -6.841 -7.530 1.00 0.00 N ATOM 790 CA ASP A 52 14.450 -6.703 -8.851 1.00 0.00 C ATOM 791 C ASP A 52 13.395 -6.346 -9.894 1.00 0.00 C ATOM 792 O ASP A 52 13.575 -5.415 -10.679 1.00 0.00 O ATOM 793 CB ASP A 52 15.160 -7.998 -9.249 1.00 0.00 C ATOM 794 CG ASP A 52 16.436 -8.224 -8.462 1.00 0.00 C ATOM 795 OD1 ASP A 52 17.444 -7.550 -8.759 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.426 -9.075 -7.548 1.00 0.00 O ATOM 0 H ASP A 52 13.853 -7.792 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 52 15.180 -5.895 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.487 -8.841 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.393 -7.969 -10.313 1.00 0.00 H new ATOM 801 N ILE A 53 12.296 -7.093 -9.895 1.00 0.00 N ATOM 802 CA ILE A 53 11.213 -6.855 -10.841 1.00 0.00 C ATOM 803 C ILE A 53 10.396 -5.630 -10.444 1.00 0.00 C ATOM 804 O ILE A 53 10.091 -4.777 -11.279 1.00 0.00 O ATOM 805 CB ILE A 53 10.275 -8.072 -10.942 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.937 -9.187 -11.756 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.948 -7.669 -11.567 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.548 -10.577 -11.304 1.00 0.00 C ATOM 0 H ILE A 53 12.132 -7.867 -9.252 1.00 0.00 H new ATOM 0 HA ILE A 53 11.676 -6.682 -11.813 1.00 0.00 H new ATOM 0 HB ILE A 53 10.081 -8.447 -9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.670 -9.067 -12.806 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.020 -9.081 -11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.296 -8.541 -11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.473 -6.905 -10.951 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.122 -7.272 -12.567 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.054 -11.316 -11.925 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.840 -10.716 -10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.469 -10.702 -11.398 1.00 0.00 H new ATOM 820 N ILE A 54 10.046 -5.548 -9.165 1.00 0.00 N ATOM 821 CA ILE A 54 9.267 -4.426 -8.657 1.00 0.00 C ATOM 822 C ILE A 54 10.110 -3.157 -8.589 1.00 0.00 C ATOM 823 O ILE A 54 10.944 -2.999 -7.697 1.00 0.00 O ATOM 824 CB ILE A 54 8.696 -4.724 -7.258 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.771 -5.943 -7.310 1.00 0.00 C ATOM 826 CG2 ILE A 54 7.952 -3.511 -6.719 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.459 -5.676 -8.014 1.00 0.00 C ATOM 0 H ILE A 54 10.290 -6.245 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 54 8.442 -4.275 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 54 9.523 -4.947 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.287 -6.759 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.567 -6.278 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.555 -3.738 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.636 -2.665 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.131 -3.259 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.854 -6.583 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.923 -4.882 -7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.653 -5.370 -9.042 1.00 0.00 H new ATOM 839 N LYS A 55 9.886 -2.253 -9.537 1.00 0.00 N ATOM 840 CA LYS A 55 10.622 -0.996 -9.585 1.00 0.00 C ATOM 841 C LYS A 55 10.572 -0.284 -8.236 1.00 0.00 C ATOM 842 O LYS A 55 11.608 0.031 -7.651 1.00 0.00 O ATOM 843 CB LYS A 55 10.049 -0.087 -10.675 1.00 0.00 C ATOM 844 CG LYS A 55 10.319 -0.583 -12.084 1.00 0.00 C ATOM 845 CD LYS A 55 11.706 -0.184 -12.561 1.00 0.00 C ATOM 846 CE LYS A 55 11.714 1.225 -13.132 1.00 0.00 C ATOM 847 NZ LYS A 55 11.919 2.252 -12.074 1.00 0.00 N ATOM 0 H LYS A 55 9.200 -2.368 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 55 11.662 -1.222 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.972 0.005 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.472 0.911 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.222 -1.668 -12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.569 -0.177 -12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.409 -0.245 -11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.047 -0.888 -13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.504 1.310 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.771 1.415 -13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.483 3.037 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.996 2.611 -11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.421 1.826 -11.269 1.00 0.00 H new ATOM 861 N HIS A 56 9.361 -0.035 -7.748 1.00 0.00 N ATOM 862 CA HIS A 56 9.176 0.637 -6.467 1.00 0.00 C ATOM 863 C HIS A 56 8.206 -0.139 -5.581 1.00 0.00 C ATOM 864 O HIS A 56 6.987 -0.012 -5.694 1.00 0.00 O ATOM 865 CB HIS A 56 8.660 2.060 -6.684 1.00 0.00 C ATOM 866 CG HIS A 56 7.775 2.200 -7.884 1.00 0.00 C ATOM 867 ND1 HIS A 56 6.933 1.198 -8.319 1.00 0.00 N ATOM 868 CD2 HIS A 56 7.603 3.233 -8.742 1.00 0.00 C ATOM 869 CE1 HIS A 56 6.282 1.609 -9.393 1.00 0.00 C ATOM 870 NE2 HIS A 56 6.670 2.840 -9.670 1.00 0.00 N ATOM 0 H HIS A 56 8.493 -0.289 -8.220 1.00 0.00 H new ATOM 0 HA HIS A 56 10.142 0.681 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.110 2.377 -5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.510 2.734 -6.789 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.829 0.283 -7.880 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.106 4.188 -8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.556 1.035 -9.950 1.00 0.00 H new ATOM 878 N PRO A 57 8.759 -0.963 -4.678 1.00 0.00 N ATOM 879 CA PRO A 57 7.961 -1.776 -3.756 1.00 0.00 C ATOM 880 C PRO A 57 7.257 -0.931 -2.699 1.00 0.00 C ATOM 881 O PRO A 57 7.853 -0.025 -2.118 1.00 0.00 O ATOM 882 CB PRO A 57 8.998 -2.693 -3.103 1.00 0.00 C ATOM 883 CG PRO A 57 10.283 -1.946 -3.206 1.00 0.00 C ATOM 884 CD PRO A 57 10.205 -1.164 -4.488 1.00 0.00 C ATOM 0 HA PRO A 57 7.163 -2.311 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.744 -2.901 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.056 -3.653 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.418 -1.283 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.132 -2.629 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.736 -0.215 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.647 -1.712 -5.320 1.00 0.00 H new ATOM 892 N MET A 58 5.986 -1.235 -2.456 1.00 0.00 N ATOM 893 CA MET A 58 5.202 -0.503 -1.467 1.00 0.00 C ATOM 894 C MET A 58 4.746 -1.428 -0.343 1.00 0.00 C ATOM 895 O MET A 58 4.572 -2.630 -0.547 1.00 0.00 O ATOM 896 CB MET A 58 3.988 0.151 -2.130 1.00 0.00 C ATOM 897 CG MET A 58 3.256 1.128 -1.225 1.00 0.00 C ATOM 898 SD MET A 58 3.887 2.812 -1.366 1.00 0.00 S ATOM 899 CE MET A 58 5.196 2.785 -0.145 1.00 0.00 C ATOM 0 H MET A 58 5.478 -1.982 -2.929 1.00 0.00 H new ATOM 0 HA MET A 58 5.836 0.274 -1.040 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.313 0.675 -3.029 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.294 -0.627 -2.448 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.194 1.120 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.345 0.796 -0.191 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.370 3.796 0.224 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.906 2.140 0.685 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.110 2.403 -0.600 1.00 0.00 H new ATOM 909 N ASP A 59 4.554 -0.861 0.843 1.00 0.00 N ATOM 910 CA ASP A 59 4.117 -1.635 1.999 1.00 0.00 C ATOM 911 C ASP A 59 3.331 -0.761 2.972 1.00 0.00 C ATOM 912 O ASP A 59 3.650 0.412 3.167 1.00 0.00 O ATOM 913 CB ASP A 59 5.321 -2.254 2.710 1.00 0.00 C ATOM 914 CG ASP A 59 6.401 -2.696 1.741 1.00 0.00 C ATOM 915 OD1 ASP A 59 7.227 -1.847 1.347 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.419 -3.890 1.377 1.00 0.00 O ATOM 0 H ASP A 59 4.694 0.132 1.029 1.00 0.00 H new ATOM 0 HA ASP A 59 3.464 -2.433 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.739 -1.529 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.991 -3.111 3.298 1.00 0.00 H new ATOM 921 N LEU A 60 2.300 -1.340 3.578 1.00 0.00 N ATOM 922 CA LEU A 60 1.466 -0.615 4.530 1.00 0.00 C ATOM 923 C LEU A 60 2.310 -0.036 5.662 1.00 0.00 C ATOM 924 O LEU A 60 2.220 1.151 5.972 1.00 0.00 O ATOM 925 CB LEU A 60 0.389 -1.538 5.102 1.00 0.00 C ATOM 926 CG LEU A 60 -0.857 -1.731 4.237 1.00 0.00 C ATOM 927 CD1 LEU A 60 -1.719 -2.857 4.786 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.655 -0.438 4.155 1.00 0.00 C ATOM 0 H LEU A 60 2.022 -2.310 3.427 1.00 0.00 H new ATOM 0 HA LEU A 60 0.986 0.208 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.836 -2.516 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.078 -1.144 6.070 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.538 -2.003 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.601 -2.980 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.146 -3.784 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.029 -2.615 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.538 -0.594 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.963 -0.136 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.036 0.344 3.715 1.00 0.00 H new ATOM 940 N SER A 61 3.130 -0.884 6.274 1.00 0.00 N ATOM 941 CA SER A 61 3.989 -0.458 7.373 1.00 0.00 C ATOM 942 C SER A 61 4.680 0.861 7.042 1.00 0.00 C ATOM 943 O SER A 61 4.803 1.743 7.893 1.00 0.00 O ATOM 944 CB SER A 61 5.034 -1.532 7.678 1.00 0.00 C ATOM 945 OG SER A 61 5.715 -1.253 8.889 1.00 0.00 O ATOM 0 H SER A 61 3.218 -1.870 6.028 1.00 0.00 H new ATOM 0 HA SER A 61 3.364 -0.310 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.550 -2.506 7.746 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.751 -1.589 6.859 1.00 0.00 H new ATOM 0 HG SER A 61 5.129 -0.738 9.482 1.00 0.00 H new ATOM 951 N THR A 62 5.131 0.990 5.798 1.00 0.00 N ATOM 952 CA THR A 62 5.812 2.199 5.353 1.00 0.00 C ATOM 953 C THR A 62 4.860 3.390 5.333 1.00 0.00 C ATOM 954 O THR A 62 5.168 4.453 5.871 1.00 0.00 O ATOM 955 CB THR A 62 6.419 2.018 3.949 1.00 0.00 C ATOM 956 OG1 THR A 62 7.396 0.970 3.969 1.00 0.00 O ATOM 957 CG2 THR A 62 7.063 3.309 3.467 1.00 0.00 C ATOM 0 H THR A 62 5.037 0.271 5.081 1.00 0.00 H new ATOM 0 HA THR A 62 6.615 2.390 6.065 1.00 0.00 H new ATOM 0 HB THR A 62 5.616 1.753 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.776 0.860 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.485 3.156 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.311 4.097 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.855 3.600 4.157 1.00 0.00 H new ATOM 965 N VAL A 63 3.701 3.204 4.708 1.00 0.00 N ATOM 966 CA VAL A 63 2.703 4.263 4.619 1.00 0.00 C ATOM 967 C VAL A 63 2.346 4.799 6.001 1.00 0.00 C ATOM 968 O VAL A 63 2.532 5.982 6.287 1.00 0.00 O ATOM 969 CB VAL A 63 1.420 3.768 3.926 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.363 4.861 3.915 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.727 3.297 2.512 1.00 0.00 C ATOM 0 H VAL A 63 3.431 2.330 4.256 1.00 0.00 H new ATOM 0 HA VAL A 63 3.143 5.063 4.024 1.00 0.00 H new ATOM 0 HB VAL A 63 1.027 2.922 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.536 4.493 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.124 5.146 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.743 5.729 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.809 2.951 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.145 4.123 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.447 2.480 2.549 1.00 0.00 H new ATOM 981 N LYS A 64 1.833 3.921 6.856 1.00 0.00 N ATOM 982 CA LYS A 64 1.451 4.304 8.210 1.00 0.00 C ATOM 983 C LYS A 64 2.539 5.150 8.863 1.00 0.00 C ATOM 984 O LYS A 64 2.254 6.177 9.480 1.00 0.00 O ATOM 985 CB LYS A 64 1.180 3.059 9.057 1.00 0.00 C ATOM 986 CG LYS A 64 0.801 3.372 10.494 1.00 0.00 C ATOM 987 CD LYS A 64 0.674 2.106 11.326 1.00 0.00 C ATOM 988 CE LYS A 64 -0.743 1.555 11.289 1.00 0.00 C ATOM 989 NZ LYS A 64 -0.923 0.425 12.241 1.00 0.00 N ATOM 0 H LYS A 64 1.672 2.938 6.635 1.00 0.00 H new ATOM 0 HA LYS A 64 0.540 4.899 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.378 2.483 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.068 2.427 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.554 4.025 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.143 3.916 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.368 1.353 10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.957 2.317 12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.448 2.350 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.976 1.219 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.938 0.244 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.467 -0.428 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.490 0.668 13.155 1.00 0.00 H new ATOM 1003 N ARG A 65 3.786 4.713 8.723 1.00 0.00 N ATOM 1004 CA ARG A 65 4.917 5.431 9.300 1.00 0.00 C ATOM 1005 C ARG A 65 4.905 6.896 8.874 1.00 0.00 C ATOM 1006 O ARG A 65 5.017 7.797 9.705 1.00 0.00 O ATOM 1007 CB ARG A 65 6.233 4.776 8.877 1.00 0.00 C ATOM 1008 CG ARG A 65 6.703 3.686 9.827 1.00 0.00 C ATOM 1009 CD ARG A 65 8.116 3.230 9.495 1.00 0.00 C ATOM 1010 NE ARG A 65 8.126 2.157 8.504 1.00 0.00 N ATOM 1011 CZ ARG A 65 7.689 0.927 8.749 1.00 0.00 C ATOM 1012 NH1 ARG A 65 7.209 0.615 9.945 1.00 0.00 N ATOM 1013 NH2 ARG A 65 7.731 0.005 7.795 1.00 0.00 N ATOM 0 H ARG A 65 4.039 3.865 8.215 1.00 0.00 H new ATOM 0 HA ARG A 65 4.829 5.386 10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.114 4.351 7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.005 5.543 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.670 4.056 10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.023 2.836 9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.691 4.076 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.610 2.888 10.405 1.00 0.00 H new ATOM 0 HE ARG A 65 8.488 2.364 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.174 1.321 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.874 -0.331 10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.099 0.241 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.395 -0.940 7.983 1.00 0.00 H new ATOM 1027 N LYS A 66 4.771 7.127 7.572 1.00 0.00 N ATOM 1028 CA LYS A 66 4.744 8.482 7.034 1.00 0.00 C ATOM 1029 C LYS A 66 3.547 9.258 7.573 1.00 0.00 C ATOM 1030 O LYS A 66 3.704 10.320 8.174 1.00 0.00 O ATOM 1031 CB LYS A 66 4.694 8.444 5.505 1.00 0.00 C ATOM 1032 CG LYS A 66 6.044 8.190 4.858 1.00 0.00 C ATOM 1033 CD LYS A 66 5.910 7.941 3.365 1.00 0.00 C ATOM 1034 CE LYS A 66 5.932 9.243 2.579 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.255 9.920 2.665 1.00 0.00 N ATOM 0 H LYS A 66 4.679 6.393 6.870 1.00 0.00 H new ATOM 0 HA LYS A 66 5.655 8.990 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.998 7.665 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.298 9.391 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.696 9.047 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.518 7.330 5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.723 7.297 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.979 7.410 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.695 9.041 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.158 9.910 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.388 10.530 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.293 10.499 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.010 9.205 2.694 1.00 0.00 H new ATOM 1049 N MET A 67 2.351 8.719 7.356 1.00 0.00 N ATOM 1050 CA MET A 67 1.128 9.361 7.823 1.00 0.00 C ATOM 1051 C MET A 67 1.212 9.672 9.314 1.00 0.00 C ATOM 1052 O MET A 67 0.705 10.695 9.774 1.00 0.00 O ATOM 1053 CB MET A 67 -0.081 8.466 7.545 1.00 0.00 C ATOM 1054 CG MET A 67 -1.388 9.025 8.084 1.00 0.00 C ATOM 1055 SD MET A 67 -1.670 10.735 7.584 1.00 0.00 S ATOM 1056 CE MET A 67 -2.492 10.496 6.011 1.00 0.00 C ATOM 0 H MET A 67 2.203 7.840 6.860 1.00 0.00 H new ATOM 0 HA MET A 67 1.010 10.299 7.280 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.174 8.319 6.469 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.094 7.485 7.986 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.215 8.407 7.734 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.383 8.965 9.172 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.620 11.459 5.518 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.888 9.843 5.381 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.468 10.040 6.176 1.00 0.00 H new ATOM 1066 N ASP A 68 1.856 8.784 10.064 1.00 0.00 N ATOM 1067 CA ASP A 68 2.007 8.964 11.503 1.00 0.00 C ATOM 1068 C ASP A 68 2.626 10.323 11.818 1.00 0.00 C ATOM 1069 O ASP A 68 2.056 11.118 12.563 1.00 0.00 O ATOM 1070 CB ASP A 68 2.872 7.848 12.090 1.00 0.00 C ATOM 1071 CG ASP A 68 2.916 7.886 13.605 1.00 0.00 C ATOM 1072 OD1 ASP A 68 3.587 8.783 14.156 1.00 0.00 O ATOM 1073 OD2 ASP A 68 2.280 7.018 14.239 1.00 0.00 O ATOM 0 H ASP A 68 2.282 7.932 9.699 1.00 0.00 H new ATOM 0 HA ASP A 68 1.016 8.922 11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.484 6.883 11.765 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.885 7.933 11.698 1.00 0.00 H new ATOM 1078 N GLY A 69 3.798 10.581 11.245 1.00 0.00 N ATOM 1079 CA GLY A 69 4.475 11.844 11.478 1.00 0.00 C ATOM 1080 C GLY A 69 4.081 12.907 10.472 1.00 0.00 C ATOM 1081 O GLY A 69 4.890 13.764 10.116 1.00 0.00 O ATOM 0 H GLY A 69 4.290 9.939 10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.244 12.196 12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.553 11.688 11.434 1.00 0.00 H new ATOM 1085 N ARG A 70 2.836 12.851 10.011 1.00 0.00 N ATOM 1086 CA ARG A 70 2.338 13.815 9.037 1.00 0.00 C ATOM 1087 C ARG A 70 3.368 14.062 7.940 1.00 0.00 C ATOM 1088 O ARG A 70 3.634 15.205 7.571 1.00 0.00 O ATOM 1089 CB ARG A 70 1.987 15.135 9.728 1.00 0.00 C ATOM 1090 CG ARG A 70 0.575 15.172 10.289 1.00 0.00 C ATOM 1091 CD ARG A 70 0.397 14.165 11.416 1.00 0.00 C ATOM 1092 NE ARG A 70 0.933 14.660 12.681 1.00 0.00 N ATOM 1093 CZ ARG A 70 0.662 14.108 13.859 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -0.133 13.050 13.932 1.00 0.00 N ATOM 1095 NH2 ARG A 70 1.188 14.616 14.967 1.00 0.00 N ATOM 0 H ARG A 70 2.154 12.148 10.296 1.00 0.00 H new ATOM 0 HA ARG A 70 1.439 13.401 8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.695 15.311 10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.107 15.951 9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.354 16.174 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.139 14.960 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.662 13.938 11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.895 13.232 11.151 1.00 0.00 H new ATOM 0 HE ARG A 70 1.548 15.473 12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.539 12.657 13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.339 12.628 14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.800 15.430 14.914 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.980 14.192 15.871 1.00 0.00 H new ATOM 1109 N GLU A 71 3.945 12.981 7.423 1.00 0.00 N ATOM 1110 CA GLU A 71 4.947 13.081 6.369 1.00 0.00 C ATOM 1111 C GLU A 71 4.294 13.380 5.023 1.00 0.00 C ATOM 1112 O GLU A 71 4.897 14.010 4.153 1.00 0.00 O ATOM 1113 CB GLU A 71 5.756 11.786 6.279 1.00 0.00 C ATOM 1114 CG GLU A 71 6.749 11.608 7.415 1.00 0.00 C ATOM 1115 CD GLU A 71 7.968 10.805 7.004 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.621 11.183 6.010 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.269 9.797 7.678 1.00 0.00 O ATOM 0 H GLU A 71 3.735 12.027 7.717 1.00 0.00 H new ATOM 0 HA GLU A 71 5.618 13.903 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.070 10.939 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.294 11.769 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.067 12.588 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.255 11.110 8.250 1.00 0.00 H new ATOM 1124 N TYR A 72 3.057 12.924 4.858 1.00 0.00 N ATOM 1125 CA TYR A 72 2.321 13.139 3.618 1.00 0.00 C ATOM 1126 C TYR A 72 1.836 14.582 3.515 1.00 0.00 C ATOM 1127 O TYR A 72 1.181 15.109 4.415 1.00 0.00 O ATOM 1128 CB TYR A 72 1.131 12.182 3.534 1.00 0.00 C ATOM 1129 CG TYR A 72 1.527 10.745 3.280 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.211 10.385 2.126 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.215 9.746 4.194 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.574 9.074 1.889 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.575 8.432 3.967 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.254 8.101 2.813 1.00 0.00 C ATOM 1135 OH TYR A 72 2.613 6.792 2.582 1.00 0.00 O ATOM 0 H TYR A 72 2.543 12.403 5.568 1.00 0.00 H new ATOM 0 HA TYR A 72 2.997 12.942 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.566 12.235 4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.465 12.513 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.464 11.144 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.682 10.001 5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.105 8.812 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.326 7.668 4.689 1.00 0.00 H new ATOM 0 HH TYR A 72 3.278 6.757 1.863 1.00 0.00 H new ATOM 1145 N PRO A 73 2.165 15.237 2.392 1.00 0.00 N ATOM 1146 CA PRO A 73 1.773 16.627 2.143 1.00 0.00 C ATOM 1147 C PRO A 73 0.274 16.773 1.906 1.00 0.00 C ATOM 1148 O PRO A 73 -0.373 17.650 2.479 1.00 0.00 O ATOM 1149 CB PRO A 73 2.552 16.994 0.878 1.00 0.00 C ATOM 1150 CG PRO A 73 2.790 15.695 0.189 1.00 0.00 C ATOM 1151 CD PRO A 73 2.944 14.670 1.278 1.00 0.00 C ATOM 0 HA PRO A 73 1.990 17.270 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.984 17.678 0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.491 17.491 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.958 15.444 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.684 15.741 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.559 13.697 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.990 14.527 1.551 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.273 15.908 1.058 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.698 15.940 0.747 1.00 0.00 C ATOM 1161 C ASP A 74 -2.221 14.538 0.451 1.00 0.00 C ATOM 1162 O ASP A 74 -1.449 13.628 0.150 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.960 16.858 -0.448 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.807 16.870 -1.433 1.00 0.00 C ATOM 1165 OD1 ASP A 74 0.206 17.543 -1.151 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.919 16.208 -2.486 1.00 0.00 O ATOM 0 H ASP A 74 0.248 15.177 0.574 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.226 16.329 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.867 16.535 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.140 17.872 -0.091 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.536 14.372 0.541 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.162 13.081 0.282 1.00 0.00 C ATOM 1173 C ALA A 75 -3.500 12.376 -0.897 1.00 0.00 C ATOM 1174 O ALA A 75 -3.137 11.204 -0.806 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.651 13.259 0.024 1.00 0.00 C ATOM 0 H ALA A 75 -4.189 15.115 0.791 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.029 12.457 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.106 12.287 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.120 13.713 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.796 13.905 -0.842 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.347 13.098 -2.002 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.730 12.540 -3.199 1.00 0.00 C ATOM 1183 C GLN A 76 -1.555 11.637 -2.836 1.00 0.00 C ATOM 1184 O GLN A 76 -1.504 10.476 -3.238 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.258 13.662 -4.126 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.364 14.623 -4.529 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.472 13.944 -5.311 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.229 12.992 -6.054 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.696 14.430 -5.146 1.00 0.00 N ATOM 0 H GLN A 76 -3.642 14.070 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.479 11.941 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.464 14.222 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.825 13.222 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.785 15.082 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.940 15.427 -5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.851 15.220 -4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.482 14.013 -5.645 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.612 12.180 -2.072 1.00 0.00 N ATOM 1199 CA GLY A 77 0.549 11.410 -1.667 1.00 0.00 C ATOM 1200 C GLY A 77 0.176 10.156 -0.902 1.00 0.00 C ATOM 1201 O GLY A 77 0.721 9.081 -1.152 1.00 0.00 O ATOM 0 H GLY A 77 -0.632 13.139 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.125 11.135 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.195 12.032 -1.047 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.756 10.293 0.036 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.201 9.162 0.843 1.00 0.00 C ATOM 1207 C PHE A 78 -1.787 8.063 -0.038 1.00 0.00 C ATOM 1208 O PHE A 78 -1.402 6.898 0.067 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.240 9.618 1.869 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.010 8.486 2.486 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.413 7.652 3.418 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.330 8.255 2.135 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.119 6.609 3.988 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.041 7.214 2.701 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.435 6.390 3.630 1.00 0.00 C ATOM 0 H PHE A 78 -1.218 11.176 0.256 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.335 8.759 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.738 10.178 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.939 10.302 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.385 7.819 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.809 8.896 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.642 5.966 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.069 7.045 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.989 5.577 4.075 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.721 8.441 -0.904 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.359 7.489 -1.804 1.00 0.00 C ATOM 1227 C ALA A 79 -2.352 6.901 -2.786 1.00 0.00 C ATOM 1228 O ALA A 79 -2.463 5.743 -3.185 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.503 8.156 -2.553 1.00 0.00 C ATOM 0 H ALA A 79 -3.053 9.401 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.760 6.672 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.970 7.433 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.242 8.521 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.118 8.993 -3.136 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.370 7.709 -3.174 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.342 7.268 -4.109 1.00 0.00 C ATOM 1237 C ALA A 80 0.293 5.960 -3.649 1.00 0.00 C ATOM 1238 O ALA A 80 0.291 4.968 -4.378 1.00 0.00 O ATOM 1239 CB ALA A 80 0.720 8.345 -4.272 1.00 0.00 C ATOM 0 H ALA A 80 -1.265 8.672 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.815 7.091 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.481 8.002 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.259 9.256 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.182 8.550 -3.306 1.00 0.00 H new ATOM 1245 N ASP A 81 0.838 5.966 -2.438 1.00 0.00 N ATOM 1246 CA ASP A 81 1.477 4.780 -1.881 1.00 0.00 C ATOM 1247 C ASP A 81 0.513 3.598 -1.868 1.00 0.00 C ATOM 1248 O ASP A 81 0.765 2.571 -2.497 1.00 0.00 O ATOM 1249 CB ASP A 81 1.978 5.062 -0.463 1.00 0.00 C ATOM 1250 CG ASP A 81 0.987 5.871 0.350 1.00 0.00 C ATOM 1251 OD1 ASP A 81 0.124 5.258 1.013 1.00 0.00 O ATOM 1252 OD2 ASP A 81 1.073 7.117 0.323 1.00 0.00 O ATOM 0 H ASP A 81 0.850 6.780 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 81 2.327 4.525 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.175 4.118 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.925 5.599 -0.515 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.592 3.751 -1.145 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.595 2.697 -1.049 1.00 0.00 C ATOM 1259 C VAL A 82 -1.873 2.078 -2.414 1.00 0.00 C ATOM 1260 O VAL A 82 -1.742 0.867 -2.596 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.915 3.229 -0.460 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.936 2.109 -0.339 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.669 3.886 0.890 1.00 0.00 C ATOM 0 H VAL A 82 -0.815 4.595 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.190 1.935 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.317 3.982 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.862 2.504 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.133 1.689 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.546 1.330 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.612 4.256 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.243 3.156 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.975 4.718 0.769 1.00 0.00 H new ATOM 1273 N ARG A 83 -2.257 2.916 -3.371 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.555 2.451 -4.720 1.00 0.00 C ATOM 1275 C ARG A 83 -1.367 1.697 -5.310 1.00 0.00 C ATOM 1276 O ARG A 83 -1.478 0.524 -5.668 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.921 3.633 -5.621 1.00 0.00 C ATOM 1278 CG ARG A 83 -4.379 4.048 -5.518 1.00 0.00 C ATOM 1279 CD ARG A 83 -4.712 5.162 -6.499 1.00 0.00 C ATOM 1280 NE ARG A 83 -5.041 4.644 -7.824 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.299 5.419 -8.872 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -5.267 6.739 -8.749 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -5.591 4.873 -10.046 1.00 0.00 N ATOM 0 H ARG A 83 -2.369 3.921 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.404 1.770 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.291 4.484 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.698 3.373 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.018 3.187 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.593 4.380 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.552 5.742 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.864 5.843 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.075 3.633 -7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.044 7.162 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.465 7.331 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.617 3.858 -10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.789 5.468 -10.850 1.00 0.00 H new ATOM 1297 N LEU A 84 -0.231 2.378 -5.408 1.00 0.00 N ATOM 1298 CA LEU A 84 0.979 1.773 -5.955 1.00 0.00 C ATOM 1299 C LEU A 84 1.104 0.317 -5.520 1.00 0.00 C ATOM 1300 O LEU A 84 1.340 -0.569 -6.341 1.00 0.00 O ATOM 1301 CB LEU A 84 2.213 2.559 -5.508 1.00 0.00 C ATOM 1302 CG LEU A 84 3.544 1.809 -5.565 1.00 0.00 C ATOM 1303 CD1 LEU A 84 3.983 1.609 -7.007 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.611 2.556 -4.779 1.00 0.00 C ATOM 0 H LEU A 84 -0.122 3.349 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 84 0.911 1.803 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.295 3.451 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.053 2.896 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 84 3.406 0.828 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.932 1.074 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.228 1.031 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.103 2.579 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.552 2.008 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.747 3.550 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.300 2.646 -3.738 1.00 0.00 H new ATOM 1316 N MET A 85 0.943 0.077 -4.223 1.00 0.00 N ATOM 1317 CA MET A 85 1.035 -1.273 -3.679 1.00 0.00 C ATOM 1318 C MET A 85 0.242 -2.258 -4.532 1.00 0.00 C ATOM 1319 O MET A 85 0.728 -3.341 -4.861 1.00 0.00 O ATOM 1320 CB MET A 85 0.521 -1.301 -2.238 1.00 0.00 C ATOM 1321 CG MET A 85 0.538 -2.687 -1.614 1.00 0.00 C ATOM 1322 SD MET A 85 0.038 -2.675 0.119 1.00 0.00 S ATOM 1323 CE MET A 85 -1.618 -2.006 -0.012 1.00 0.00 C ATOM 0 H MET A 85 0.748 0.799 -3.529 1.00 0.00 H new ATOM 0 HA MET A 85 2.083 -1.571 -3.690 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.129 -0.631 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.498 -0.914 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.128 -3.342 -2.176 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.541 -3.106 -1.696 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.173 -2.227 0.900 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.564 -0.926 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.126 -2.457 -0.865 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.980 -1.876 -4.888 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.840 -2.727 -5.703 1.00 0.00 C ATOM 1335 C PHE A 86 -1.375 -2.738 -7.156 1.00 0.00 C ATOM 1336 O PHE A 86 -1.731 -3.629 -7.927 1.00 0.00 O ATOM 1337 CB PHE A 86 -3.290 -2.247 -5.623 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.824 -2.183 -4.221 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.442 -3.284 -3.650 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.710 -1.021 -3.474 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.934 -3.229 -2.359 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.199 -0.960 -2.183 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.813 -2.065 -1.626 1.00 0.00 C ATOM 0 H PHE A 86 -1.397 -0.983 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.779 -3.743 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.362 -1.258 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.918 -2.915 -6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.541 -4.196 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.234 -0.153 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.412 -4.095 -1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.101 -0.050 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.198 -2.019 -0.618 1.00 0.00 H new ATOM 1353 N SER A 87 -0.578 -1.739 -7.524 1.00 0.00 N ATOM 1354 CA SER A 87 -0.067 -1.630 -8.885 1.00 0.00 C ATOM 1355 C SER A 87 1.133 -2.550 -9.091 1.00 0.00 C ATOM 1356 O SER A 87 1.289 -3.157 -10.149 1.00 0.00 O ATOM 1357 CB SER A 87 0.326 -0.184 -9.191 1.00 0.00 C ATOM 1358 OG SER A 87 -0.807 0.668 -9.170 1.00 0.00 O ATOM 0 H SER A 87 -0.273 -0.994 -6.898 1.00 0.00 H new ATOM 0 HA SER A 87 -0.859 -1.936 -9.569 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.057 0.160 -8.459 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.805 -0.133 -10.169 1.00 0.00 H new ATOM 0 HG SER A 87 -0.529 1.587 -9.367 1.00 0.00 H new ATOM 1364 N ASN A 88 1.979 -2.645 -8.070 1.00 0.00 N ATOM 1365 CA ASN A 88 3.166 -3.489 -8.137 1.00 0.00 C ATOM 1366 C ASN A 88 2.874 -4.883 -7.591 1.00 0.00 C ATOM 1367 O ASN A 88 3.646 -5.819 -7.805 1.00 0.00 O ATOM 1368 CB ASN A 88 4.315 -2.852 -7.352 1.00 0.00 C ATOM 1369 CG ASN A 88 4.046 -2.816 -5.860 1.00 0.00 C ATOM 1370 OD1 ASN A 88 3.655 -3.819 -5.264 1.00 0.00 O ATOM 1371 ND2 ASN A 88 4.255 -1.655 -5.250 1.00 0.00 N ATOM 0 H ASN A 88 1.864 -2.148 -7.187 1.00 0.00 H new ATOM 0 HA ASN A 88 3.457 -3.582 -9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.233 -3.410 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.479 -1.837 -7.713 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.091 -1.569 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.580 -0.849 -5.785 1.00 0.00 H new ATOM 1378 N CYS A 89 1.756 -5.014 -6.886 1.00 0.00 N ATOM 1379 CA CYS A 89 1.361 -6.294 -6.308 1.00 0.00 C ATOM 1380 C CYS A 89 1.150 -7.340 -7.398 1.00 0.00 C ATOM 1381 O CYS A 89 1.588 -8.484 -7.268 1.00 0.00 O ATOM 1382 CB CYS A 89 0.083 -6.133 -5.484 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.832 -7.672 -5.233 1.00 0.00 S ATOM 0 H CYS A 89 1.107 -4.250 -6.701 1.00 0.00 H new ATOM 0 HA CYS A 89 2.165 -6.633 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.341 -5.713 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.568 -5.413 -5.980 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.712 -7.813 -6.179 1.00 0.00 H new ATOM 1389 N TYR A 90 0.476 -6.942 -8.471 1.00 0.00 N ATOM 1390 CA TYR A 90 0.203 -7.846 -9.581 1.00 0.00 C ATOM 1391 C TYR A 90 1.370 -7.869 -10.564 1.00 0.00 C ATOM 1392 O TYR A 90 1.743 -8.923 -11.079 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.079 -7.427 -10.304 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.176 -6.966 -9.372 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -2.674 -7.806 -8.383 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.715 -5.690 -9.479 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -3.677 -7.390 -7.530 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.718 -5.264 -8.629 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.196 -6.118 -7.657 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.194 -5.698 -6.808 1.00 0.00 O ATOM 0 H TYR A 90 0.109 -5.999 -8.595 1.00 0.00 H new ATOM 0 HA TYR A 90 0.072 -8.849 -9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.846 -6.624 -11.003 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.444 -8.267 -10.894 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.269 -8.802 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.344 -5.019 -10.240 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.053 -8.056 -6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.125 -4.268 -8.725 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.447 -4.778 -7.030 1.00 0.00 H new ATOM 1410 N LYS A 91 1.942 -6.698 -10.820 1.00 0.00 N ATOM 1411 CA LYS A 91 3.068 -6.580 -11.740 1.00 0.00 C ATOM 1412 C LYS A 91 4.012 -7.770 -11.598 1.00 0.00 C ATOM 1413 O LYS A 91 4.631 -8.203 -12.570 1.00 0.00 O ATOM 1414 CB LYS A 91 3.829 -5.278 -11.482 1.00 0.00 C ATOM 1415 CG LYS A 91 4.933 -5.413 -10.448 1.00 0.00 C ATOM 1416 CD LYS A 91 6.251 -5.816 -11.088 1.00 0.00 C ATOM 1417 CE LYS A 91 6.875 -4.660 -11.855 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.685 -5.134 -13.011 1.00 0.00 N ATOM 0 H LYS A 91 1.644 -5.816 -10.403 1.00 0.00 H new ATOM 0 HA LYS A 91 2.676 -6.569 -12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.262 -4.928 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.125 -4.515 -11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.057 -4.467 -9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.647 -6.156 -9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.942 -6.157 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.087 -6.656 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.089 -3.994 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.506 -4.078 -11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.558 -4.484 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.689 -5.162 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.374 -6.088 -13.285 1.00 0.00 H new ATOM 1432 N TYR A 92 4.117 -8.295 -10.382 1.00 0.00 N ATOM 1433 CA TYR A 92 4.986 -9.434 -10.114 1.00 0.00 C ATOM 1434 C TYR A 92 4.172 -10.714 -9.949 1.00 0.00 C ATOM 1435 O TYR A 92 4.144 -11.564 -10.837 1.00 0.00 O ATOM 1436 CB TYR A 92 5.820 -9.181 -8.857 1.00 0.00 C ATOM 1437 CG TYR A 92 6.526 -10.414 -8.340 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.803 -10.742 -8.779 1.00 0.00 C ATOM 1439 CD2 TYR A 92 5.916 -11.252 -7.415 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.452 -11.868 -8.311 1.00 0.00 C ATOM 1441 CE2 TYR A 92 6.559 -12.379 -6.940 1.00 0.00 C ATOM 1442 CZ TYR A 92 7.826 -12.683 -7.391 1.00 0.00 C ATOM 1443 OH TYR A 92 8.468 -13.806 -6.921 1.00 0.00 O ATOM 0 H TYR A 92 3.611 -7.950 -9.567 1.00 0.00 H new ATOM 0 HA TYR A 92 5.654 -9.557 -10.967 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.561 -8.411 -9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.171 -8.789 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.297 -10.106 -9.499 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.923 -11.019 -7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.444 -12.109 -8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.072 -13.019 -6.219 1.00 0.00 H new ATOM 0 HH TYR A 92 7.890 -14.269 -6.279 1.00 0.00 H new ATOM 1453 N ASN A 93 3.509 -10.842 -8.803 1.00 0.00 N ATOM 1454 CA ASN A 93 2.693 -12.017 -8.520 1.00 0.00 C ATOM 1455 C ASN A 93 1.848 -12.398 -9.731 1.00 0.00 C ATOM 1456 O ASN A 93 1.255 -11.549 -10.397 1.00 0.00 O ATOM 1457 CB ASN A 93 1.788 -11.757 -7.314 1.00 0.00 C ATOM 1458 CG ASN A 93 2.576 -11.546 -6.035 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.465 -12.330 -5.704 1.00 0.00 O ATOM 1460 ND2 ASN A 93 2.250 -10.483 -5.309 1.00 0.00 N ATOM 0 H ASN A 93 3.521 -10.147 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 93 3.363 -12.846 -8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.173 -10.878 -7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.109 -12.600 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.744 -10.289 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.506 -9.860 -5.623 1.00 0.00 H new ATOM 1467 N PRO A 94 1.791 -13.705 -10.026 1.00 0.00 N ATOM 1468 CA PRO A 94 1.020 -14.229 -11.157 1.00 0.00 C ATOM 1469 C PRO A 94 -0.484 -14.112 -10.938 1.00 0.00 C ATOM 1470 O PRO A 94 -0.957 -13.865 -9.828 1.00 0.00 O ATOM 1471 CB PRO A 94 1.439 -15.700 -11.221 1.00 0.00 C ATOM 1472 CG PRO A 94 1.869 -16.032 -9.834 1.00 0.00 C ATOM 1473 CD PRO A 94 2.473 -14.773 -9.276 1.00 0.00 C ATOM 0 HA PRO A 94 1.216 -13.675 -12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.612 -16.334 -11.541 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.250 -15.850 -11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.022 -16.359 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.594 -16.846 -9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.299 -14.685 -8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.552 -14.744 -9.427 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.257 -14.294 -12.019 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.720 -14.215 -11.969 1.00 0.00 C ATOM 1483 C PRO A 95 -3.338 -15.384 -11.210 1.00 0.00 C ATOM 1484 O PRO A 95 -4.549 -15.424 -10.993 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.128 -14.260 -13.444 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.008 -14.968 -14.125 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.762 -14.592 -13.374 1.00 0.00 C ATOM 0 HA PRO A 95 -3.062 -13.323 -11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.071 -14.790 -13.578 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.266 -13.257 -13.847 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.162 -16.047 -14.110 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.937 -14.671 -15.171 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.036 -15.405 -13.367 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.269 -13.729 -13.821 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.499 -16.332 -10.807 1.00 0.00 N ATOM 1496 CA ASP A 96 -2.963 -17.501 -10.070 1.00 0.00 C ATOM 1497 C ASP A 96 -2.708 -17.337 -8.575 1.00 0.00 C ATOM 1498 O ASP A 96 -3.409 -17.920 -7.747 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.269 -18.763 -10.583 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.460 -18.964 -12.074 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -3.615 -18.871 -12.542 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.456 -19.212 -12.772 1.00 0.00 O ATOM 0 H ASP A 96 -1.494 -16.313 -10.979 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.037 -17.597 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.203 -18.704 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.658 -19.630 -10.050 1.00 0.00 H new ATOM 1507 N HIS A 97 -1.699 -16.542 -8.235 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.350 -16.302 -6.840 1.00 0.00 C ATOM 1509 C HIS A 97 -2.576 -15.870 -6.040 1.00 0.00 C ATOM 1510 O HIS A 97 -2.997 -14.716 -6.108 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.260 -15.234 -6.740 1.00 0.00 C ATOM 1512 CG HIS A 97 0.638 -15.403 -5.554 1.00 0.00 C ATOM 1513 ND1 HIS A 97 0.165 -15.639 -4.280 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.987 -15.372 -5.453 1.00 0.00 C ATOM 1515 CE1 HIS A 97 1.185 -15.743 -3.446 1.00 0.00 C ATOM 1516 NE2 HIS A 97 2.302 -15.585 -4.133 1.00 0.00 N ATOM 0 H HIS A 97 -1.108 -16.053 -8.907 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.973 -17.235 -6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.343 -15.256 -7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -0.729 -14.251 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.686 -15.210 -6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.117 -15.926 -2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 97 3.245 -15.616 -3.746 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.143 -16.805 -5.284 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.321 -16.520 -4.474 1.00 0.00 C ATOM 1526 C GLU A 98 -4.220 -15.138 -3.834 1.00 0.00 C ATOM 1527 O GLU A 98 -5.157 -14.342 -3.898 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.491 -17.585 -3.389 1.00 0.00 C ATOM 1529 CG GLU A 98 -3.604 -17.365 -2.175 1.00 0.00 C ATOM 1530 CD GLU A 98 -3.719 -18.483 -1.157 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -4.851 -18.769 -0.715 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -2.676 -19.071 -0.802 1.00 0.00 O ATOM 0 H GLU A 98 -2.806 -17.765 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.193 -16.536 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.533 -17.602 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.272 -18.564 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.567 -17.279 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.870 -16.420 -1.702 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.077 -14.861 -3.216 1.00 0.00 N ATOM 1540 CA VAL A 99 -2.852 -13.576 -2.565 1.00 0.00 C ATOM 1541 C VAL A 99 -3.384 -12.428 -3.415 1.00 0.00 C ATOM 1542 O VAL A 99 -4.033 -11.514 -2.908 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.355 -13.343 -2.286 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -0.663 -12.781 -3.518 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.174 -12.415 -1.094 1.00 0.00 C ATOM 0 H VAL A 99 -2.292 -15.509 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.391 -13.602 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.895 -14.301 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.394 -12.623 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.763 -13.485 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.123 -11.832 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.111 -12.261 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.648 -11.456 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.633 -12.862 -0.212 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.105 -12.482 -4.714 1.00 0.00 N ATOM 1556 CA VAL A 100 -3.556 -11.447 -5.637 1.00 0.00 C ATOM 1557 C VAL A 100 -5.052 -11.194 -5.489 1.00 0.00 C ATOM 1558 O VAL A 100 -5.483 -10.060 -5.281 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.253 -11.828 -7.098 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.047 -10.950 -8.054 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -1.762 -11.721 -7.378 1.00 0.00 C ATOM 0 H VAL A 100 -2.569 -13.232 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.010 -10.538 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.556 -12.863 -7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.820 -11.233 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.113 -11.081 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.777 -9.906 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.566 -11.994 -8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.432 -10.697 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.218 -12.395 -6.716 1.00 0.00 H new ATOM 1571 N ALA A 101 -5.841 -12.259 -5.596 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.289 -12.153 -5.472 1.00 0.00 C ATOM 1573 C ALA A 101 -7.680 -11.486 -4.157 1.00 0.00 C ATOM 1574 O ALA A 101 -8.738 -10.866 -4.055 1.00 0.00 O ATOM 1575 CB ALA A 101 -7.930 -13.528 -5.579 1.00 0.00 C ATOM 0 H ALA A 101 -5.501 -13.205 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.654 -11.530 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.012 -13.433 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.687 -13.968 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.551 -14.169 -4.783 1.00 0.00 H new ATOM 1581 N MET A 102 -6.819 -11.618 -3.153 1.00 0.00 N ATOM 1582 CA MET A 102 -7.075 -11.027 -1.845 1.00 0.00 C ATOM 1583 C MET A 102 -6.771 -9.532 -1.855 1.00 0.00 C ATOM 1584 O MET A 102 -7.524 -8.733 -1.299 1.00 0.00 O ATOM 1585 CB MET A 102 -6.233 -11.723 -0.774 1.00 0.00 C ATOM 1586 CG MET A 102 -6.551 -13.201 -0.617 1.00 0.00 C ATOM 1587 SD MET A 102 -6.213 -13.812 1.045 1.00 0.00 S ATOM 1588 CE MET A 102 -4.515 -13.285 1.261 1.00 0.00 C ATOM 0 H MET A 102 -5.939 -12.129 -3.220 1.00 0.00 H new ATOM 0 HA MET A 102 -8.131 -11.164 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.178 -11.611 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.389 -11.223 0.182 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.601 -13.370 -0.855 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.965 -13.773 -1.336 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.894 -14.147 1.504 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.156 -12.828 0.339 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.460 -12.558 2.071 1.00 0.00 H new ATOM 1598 N ALA A 103 -5.663 -9.162 -2.489 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.261 -7.763 -2.572 1.00 0.00 C ATOM 1600 C ALA A 103 -6.353 -6.916 -3.216 1.00 0.00 C ATOM 1601 O ALA A 103 -6.511 -5.739 -2.892 1.00 0.00 O ATOM 1602 CB ALA A 103 -3.961 -7.633 -3.351 1.00 0.00 C ATOM 0 H ALA A 103 -5.028 -9.812 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.102 -7.395 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.673 -6.583 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.177 -8.199 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.100 -8.023 -4.359 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.105 -7.522 -4.130 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.181 -6.821 -4.820 1.00 0.00 C ATOM 1610 C ARG A 104 -9.296 -6.445 -3.849 1.00 0.00 C ATOM 1611 O ARG A 104 -9.725 -5.292 -3.796 1.00 0.00 O ATOM 1612 CB ARG A 104 -8.743 -7.690 -5.947 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.035 -7.495 -7.278 1.00 0.00 C ATOM 1614 CD ARG A 104 -8.403 -8.588 -8.270 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.594 -8.247 -9.043 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.833 -8.444 -8.609 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -11.043 -8.977 -7.413 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -11.866 -8.108 -9.371 1.00 0.00 N ATOM 0 H ARG A 104 -6.989 -8.496 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.770 -5.906 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.670 -8.738 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.802 -7.467 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.299 -6.522 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.956 -7.493 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.567 -8.758 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.574 -9.522 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.467 -7.835 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.252 -9.237 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.996 -9.127 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.709 -7.698 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.817 -8.260 -9.036 1.00 0.00 H new ATOM 1632 N LYS A 105 -9.762 -7.425 -3.082 1.00 0.00 N ATOM 1633 CA LYS A 105 -10.826 -7.198 -2.112 1.00 0.00 C ATOM 1634 C LYS A 105 -10.617 -5.881 -1.373 1.00 0.00 C ATOM 1635 O LYS A 105 -11.518 -5.044 -1.308 1.00 0.00 O ATOM 1636 CB LYS A 105 -10.885 -8.353 -1.110 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.588 -9.588 -1.646 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.473 -10.758 -0.683 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.186 -11.991 -1.216 1.00 0.00 C ATOM 1640 NZ LYS A 105 -11.573 -13.250 -0.708 1.00 0.00 N ATOM 0 H LYS A 105 -9.419 -8.385 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.771 -7.145 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.870 -8.621 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.398 -8.016 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.640 -9.362 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.157 -9.864 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.421 -10.989 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.897 -10.480 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.236 -11.956 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.155 -11.986 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.088 -14.067 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.577 -13.296 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.625 -13.267 0.331 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.423 -5.701 -0.819 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.095 -4.484 -0.085 1.00 0.00 C ATOM 1656 C LEU A 106 -9.066 -3.277 -1.018 1.00 0.00 C ATOM 1657 O LEU A 106 -9.558 -2.203 -0.673 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.743 -4.635 0.614 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.341 -3.495 1.550 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.115 -3.580 2.857 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.842 -3.524 1.813 1.00 0.00 C ATOM 0 H LEU A 106 -8.666 -6.383 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.869 -4.322 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.754 -5.562 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.972 -4.741 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.587 -2.549 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.816 -2.761 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.183 -3.510 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.901 -4.531 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.574 -2.706 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.572 -4.473 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.305 -3.414 0.871 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.489 -3.464 -2.201 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.399 -2.391 -3.184 1.00 0.00 C ATOM 1675 C GLN A 107 -9.759 -1.736 -3.403 1.00 0.00 C ATOM 1676 O GLN A 107 -9.851 -0.524 -3.595 1.00 0.00 O ATOM 1677 CB GLN A 107 -7.859 -2.929 -4.510 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.782 -1.880 -5.607 1.00 0.00 C ATOM 1679 CD GLN A 107 -9.111 -1.667 -6.305 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -9.781 -0.655 -6.095 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -9.501 -2.622 -7.141 1.00 0.00 N ATOM 0 H GLN A 107 -8.077 -4.348 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.712 -1.637 -2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.865 -3.344 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.495 -3.748 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.445 -0.936 -5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.035 -2.181 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.915 -3.444 -7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.387 -2.534 -7.639 1.00 0.00 H new ATOM 1690 N ASP A 108 -10.811 -2.547 -3.373 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.167 -2.046 -3.567 1.00 0.00 C ATOM 1692 C ASP A 108 -12.584 -1.143 -2.410 1.00 0.00 C ATOM 1693 O ASP A 108 -13.049 -0.023 -2.620 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.149 -3.211 -3.701 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.415 -2.820 -4.438 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -15.188 -2.002 -3.896 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -14.632 -3.330 -5.556 1.00 0.00 O ATOM 0 H ASP A 108 -10.751 -3.553 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.183 -1.459 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.664 -4.032 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.409 -3.579 -2.709 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.416 -1.639 -1.189 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.774 -0.878 0.002 1.00 0.00 C ATOM 1704 C VAL A 109 -12.035 0.455 0.045 1.00 0.00 C ATOM 1705 O VAL A 109 -12.582 1.466 0.484 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.464 -1.667 1.288 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.828 -0.849 2.517 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.200 -2.999 1.286 1.00 0.00 C ATOM 0 H VAL A 109 -12.034 -2.565 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.847 -0.694 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.393 -1.870 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.602 -1.423 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.251 0.076 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.892 -0.613 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.970 -3.543 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.274 -2.821 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.884 -3.588 0.425 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.788 0.448 -0.413 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.972 1.657 -0.426 1.00 0.00 C ATOM 1720 C PHE A 110 -10.587 2.719 -1.333 1.00 0.00 C ATOM 1721 O PHE A 110 -10.573 3.906 -1.011 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.551 1.333 -0.893 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.705 2.552 -1.130 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -6.970 3.112 -0.098 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.646 3.137 -2.384 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.192 4.234 -0.312 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.869 4.259 -2.605 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.140 4.807 -1.568 1.00 0.00 C ATOM 0 H PHE A 110 -10.320 -0.381 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.933 2.050 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.066 0.704 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.603 0.752 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.005 2.667 0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -8.213 2.712 -3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.625 4.662 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.832 4.706 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.530 5.682 -1.739 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.126 2.281 -2.466 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.745 3.194 -3.420 1.00 0.00 C ATOM 1740 C GLU A 111 -12.948 3.898 -2.797 1.00 0.00 C ATOM 1741 O GLU A 111 -12.967 5.122 -2.671 1.00 0.00 O ATOM 1742 CB GLU A 111 -12.178 2.437 -4.677 1.00 0.00 C ATOM 1743 CG GLU A 111 -11.077 2.301 -5.715 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.753 3.616 -6.398 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.683 4.248 -6.941 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.569 4.013 -6.388 1.00 0.00 O ATOM 0 H GLU A 111 -11.147 1.300 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.007 3.947 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.522 1.443 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.028 2.951 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.178 1.913 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.379 1.571 -6.466 1.00 0.00 H new ATOM 1753 N MET A 112 -13.949 3.114 -2.409 1.00 0.00 N ATOM 1754 CA MET A 112 -15.155 3.662 -1.799 1.00 0.00 C ATOM 1755 C MET A 112 -14.803 4.655 -0.696 1.00 0.00 C ATOM 1756 O MET A 112 -15.345 5.759 -0.647 1.00 0.00 O ATOM 1757 CB MET A 112 -16.021 2.536 -1.231 1.00 0.00 C ATOM 1758 CG MET A 112 -15.260 1.583 -0.324 1.00 0.00 C ATOM 1759 SD MET A 112 -16.271 0.198 0.233 1.00 0.00 S ATOM 1760 CE MET A 112 -17.723 1.058 0.833 1.00 0.00 C ATOM 0 H MET A 112 -13.949 2.099 -2.506 1.00 0.00 H new ATOM 0 HA MET A 112 -15.716 4.188 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.849 2.972 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.455 1.971 -2.056 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.388 1.201 -0.855 1.00 0.00 H new ATOM 0 HG3 MET A 112 -14.891 2.130 0.543 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.205 0.462 1.608 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.429 2.022 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.420 1.214 0.009 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.894 4.255 0.186 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.472 5.110 1.289 1.00 0.00 C ATOM 1772 C ARG A 113 -13.008 6.470 0.776 1.00 0.00 C ATOM 1773 O ARG A 113 -13.546 7.508 1.163 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.346 4.440 2.080 1.00 0.00 C ATOM 1775 CG ARG A 113 -12.816 3.282 2.945 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.826 3.738 3.987 1.00 0.00 C ATOM 1777 NE ARG A 113 -15.197 3.660 3.490 1.00 0.00 N ATOM 1778 CZ ARG A 113 -16.268 3.780 4.267 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.126 3.983 5.570 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -17.483 3.698 3.741 1.00 0.00 N ATOM 0 H ARG A 113 -13.435 3.344 0.159 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.328 5.262 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.589 4.079 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.866 5.185 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.264 2.514 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.959 2.827 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.729 3.121 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.605 4.764 4.282 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.340 3.505 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.193 4.047 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.950 4.075 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.596 3.543 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -18.305 3.790 4.338 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.005 6.457 -0.096 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.467 7.689 -0.661 1.00 0.00 C ATOM 1796 C PHE A 114 -12.586 8.567 -1.215 1.00 0.00 C ATOM 1797 O PHE A 114 -12.627 9.770 -0.964 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.459 7.370 -1.767 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.426 8.443 -1.964 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.469 8.688 -0.993 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.414 9.207 -3.120 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.517 9.674 -1.172 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.465 10.194 -3.304 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.516 10.429 -2.328 1.00 0.00 C ATOM 0 H PHE A 114 -11.548 5.607 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.961 8.235 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.957 6.432 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.995 7.217 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.467 8.102 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.155 9.029 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.775 9.854 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.465 10.781 -4.210 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.775 11.202 -2.469 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.491 7.954 -1.972 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.610 8.678 -2.560 1.00 0.00 C ATOM 1816 C ALA A 115 -15.523 9.250 -1.481 1.00 0.00 C ATOM 1817 O ALA A 115 -15.978 10.390 -1.577 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.397 7.768 -3.492 1.00 0.00 C ATOM 0 H ALA A 115 -13.470 6.958 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.208 9.511 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.230 8.322 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.745 7.413 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.781 6.916 -2.930 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.789 8.450 -0.453 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.647 8.876 0.646 1.00 0.00 C ATOM 1826 C LYS A 116 -16.223 10.244 1.170 1.00 0.00 C ATOM 1827 O LYS A 116 -17.063 11.082 1.497 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.606 7.849 1.779 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.293 6.538 1.437 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.767 6.568 1.805 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.470 5.282 1.398 1.00 0.00 C ATOM 1832 NZ LYS A 116 -20.919 5.501 1.134 1.00 0.00 N ATOM 0 H LYS A 116 -15.422 7.503 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.667 8.952 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.567 7.648 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.078 8.277 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.187 6.338 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.802 5.720 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.872 6.717 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.247 7.416 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.996 4.876 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.353 4.539 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.362 4.601 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.377 5.864 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.031 6.191 0.364 1.00 0.00 H new ATOM 1846 N MET A 117 -14.914 10.464 1.245 1.00 0.00 N ATOM 1847 CA MET A 117 -14.379 11.732 1.727 1.00 0.00 C ATOM 1848 C MET A 117 -15.099 12.908 1.075 1.00 0.00 C ATOM 1849 O MET A 117 -15.600 13.800 1.762 1.00 0.00 O ATOM 1850 CB MET A 117 -12.878 11.817 1.443 1.00 0.00 C ATOM 1851 CG MET A 117 -12.204 13.015 2.092 1.00 0.00 C ATOM 1852 SD MET A 117 -10.649 13.455 1.292 1.00 0.00 S ATOM 1853 CE MET A 117 -9.631 12.050 1.735 1.00 0.00 C ATOM 0 H MET A 117 -14.205 9.781 0.978 1.00 0.00 H new ATOM 0 HA MET A 117 -14.541 11.781 2.804 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.397 10.905 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.722 11.863 0.365 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.880 13.870 2.058 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.018 12.797 3.144 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.600 12.239 1.436 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.673 11.896 2.813 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.999 11.159 1.226 1.00 0.00 H new