USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 57 ASN : amide:sc= 0.627 K(o=-1.2,f=-5!) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -1.8 F(o=-1.9,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 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 29 GLN :FLIP amide:sc= 0.801 F(o=0.1,f=0.8) USER MOD Single : A 30 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-3.7!) USER MOD Single : A 33 GLN :FLIP amide:sc= 0.546 F(o=0,f=0.55) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.13) USER MOD Single : A 54 ASN : amide:sc= -2.84 K(o=-2.8,f=-8.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.671 USER MOD Single : A 61 SER OG : rot 98:sc= 0.507 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.306 F(o=-1,f=-0.31) USER MOD Single : A 65 SER OG : rot -90:sc= -2.97! USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 14:sc= 0.244 USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -3.14 (180deg=-8.59!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.02 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N GLY A 11 -10.355 1.549 -5.469 1.00 0.00 N ATOM 132 CA GLY A 11 -8.963 1.886 -5.220 1.00 0.00 C ATOM 133 C GLY A 11 -8.340 2.719 -6.325 1.00 0.00 C ATOM 134 O GLY A 11 -9.008 3.061 -7.303 1.00 0.00 O ATOM 0 HA2 GLY A 11 -8.891 2.431 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.390 0.967 -5.100 1.00 0.00 H new ATOM 138 N ILE A 12 -7.053 3.047 -6.171 1.00 0.00 N ATOM 139 CA ILE A 12 -6.343 3.845 -7.166 1.00 0.00 C ATOM 140 C ILE A 12 -5.543 2.958 -8.120 1.00 0.00 C ATOM 141 O ILE A 12 -5.349 1.768 -7.865 1.00 0.00 O ATOM 142 CB ILE A 12 -5.382 4.855 -6.506 1.00 0.00 C ATOM 143 CG1 ILE A 12 -4.300 4.111 -5.708 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.151 5.838 -5.630 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.471 4.173 -4.205 1.00 0.00 C ATOM 0 H ILE A 12 -6.487 2.772 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.104 4.389 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.887 5.434 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.293 3.066 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.326 4.526 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.454 6.541 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.870 6.384 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.679 5.292 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.663 3.621 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.445 5.213 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.428 3.730 -3.929 1.00 0.00 H new ATOM 157 N SER A 13 -5.079 3.554 -9.214 1.00 0.00 N ATOM 158 CA SER A 13 -4.293 2.836 -10.215 1.00 0.00 C ATOM 159 C SER A 13 -2.799 2.948 -9.924 1.00 0.00 C ATOM 160 O SER A 13 -2.337 3.956 -9.379 1.00 0.00 O ATOM 161 CB SER A 13 -4.582 3.393 -11.608 1.00 0.00 C ATOM 162 OG SER A 13 -5.872 3.014 -12.055 1.00 0.00 O ATOM 0 H SER A 13 -5.234 4.538 -9.432 1.00 0.00 H new ATOM 0 HA SER A 13 -4.578 1.785 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.505 4.480 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.830 3.032 -12.310 1.00 0.00 H new ATOM 0 HG SER A 13 -6.031 3.385 -12.948 1.00 0.00 H new ATOM 168 N VAL A 14 -2.040 1.923 -10.321 1.00 0.00 N ATOM 169 CA VAL A 14 -0.594 1.926 -10.128 1.00 0.00 C ATOM 170 C VAL A 14 0.050 3.021 -10.977 1.00 0.00 C ATOM 171 O VAL A 14 1.166 3.464 -10.698 1.00 0.00 O ATOM 172 CB VAL A 14 0.042 0.565 -10.469 1.00 0.00 C ATOM 173 CG1 VAL A 14 -0.157 0.225 -11.937 1.00 0.00 C ATOM 174 CG2 VAL A 14 1.519 0.572 -10.106 1.00 0.00 C ATOM 0 H VAL A 14 -2.404 1.086 -10.776 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.412 2.122 -9.071 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.455 -0.207 -9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.301 -0.740 -12.152 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.223 0.178 -12.158 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.308 0.993 -12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.959 -0.395 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.028 1.355 -10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.630 0.761 -9.038 1.00 0.00 H new ATOM 184 N ASN A 15 -0.677 3.462 -12.007 1.00 0.00 N ATOM 185 CA ASN A 15 -0.208 4.515 -12.891 1.00 0.00 C ATOM 186 C ASN A 15 0.154 5.765 -12.091 1.00 0.00 C ATOM 187 O ASN A 15 1.104 6.473 -12.424 1.00 0.00 O ATOM 188 CB ASN A 15 -1.291 4.856 -13.907 1.00 0.00 C ATOM 189 CG ASN A 15 -0.729 5.436 -15.191 1.00 0.00 C ATOM 190 OD1 ASN A 15 -0.337 6.601 -15.238 1.00 0.00 O ATOM 191 ND2 ASN A 15 -0.689 4.624 -16.242 1.00 0.00 N ATOM 0 H ASN A 15 -1.600 3.098 -12.245 1.00 0.00 H new ATOM 0 HA ASN A 15 0.682 4.161 -13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.862 3.957 -14.139 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.986 5.570 -13.465 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.322 4.960 -17.133 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.025 3.665 -16.158 1.00 0.00 H new ATOM 198 N ASP A 16 -0.618 6.024 -11.030 1.00 0.00 N ATOM 199 CA ASP A 16 -0.392 7.181 -10.169 1.00 0.00 C ATOM 200 C ASP A 16 1.026 7.161 -9.587 1.00 0.00 C ATOM 201 O ASP A 16 1.388 6.254 -8.839 1.00 0.00 O ATOM 202 CB ASP A 16 -1.435 7.214 -9.049 1.00 0.00 C ATOM 203 CG ASP A 16 -1.410 8.512 -8.266 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.550 8.651 -7.374 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.252 9.389 -8.546 1.00 0.00 O ATOM 0 H ASP A 16 -1.408 5.442 -10.749 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.494 8.085 -10.770 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.427 7.072 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.259 6.381 -8.369 1.00 0.00 H new ATOM 210 N PRO A 17 1.850 8.166 -9.950 1.00 0.00 N ATOM 211 CA PRO A 17 3.248 8.278 -9.493 1.00 0.00 C ATOM 212 C PRO A 17 3.404 8.370 -7.974 1.00 0.00 C ATOM 213 O PRO A 17 4.433 7.961 -7.434 1.00 0.00 O ATOM 214 CB PRO A 17 3.743 9.573 -10.150 1.00 0.00 C ATOM 215 CG PRO A 17 2.509 10.315 -10.528 1.00 0.00 C ATOM 216 CD PRO A 17 1.489 9.270 -10.855 1.00 0.00 C ATOM 0 HA PRO A 17 3.811 7.386 -9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.357 10.154 -9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.358 9.361 -11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.169 10.951 -9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.690 10.966 -11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.474 9.625 -10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.540 8.968 -11.901 1.00 0.00 H new ATOM 224 N ARG A 18 2.396 8.903 -7.287 1.00 0.00 N ATOM 225 CA ARG A 18 2.453 9.035 -5.835 1.00 0.00 C ATOM 226 C ARG A 18 2.132 7.706 -5.164 1.00 0.00 C ATOM 227 O ARG A 18 2.802 7.295 -4.221 1.00 0.00 O ATOM 228 CB ARG A 18 1.486 10.118 -5.356 1.00 0.00 C ATOM 229 CG ARG A 18 1.845 11.505 -5.858 1.00 0.00 C ATOM 230 CD ARG A 18 1.270 11.768 -7.242 1.00 0.00 C ATOM 231 NE ARG A 18 0.257 12.822 -7.232 1.00 0.00 N ATOM 232 CZ ARG A 18 0.531 14.129 -7.244 1.00 0.00 C ATOM 233 NH1 ARG A 18 1.790 14.558 -7.280 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.460 15.012 -7.219 1.00 0.00 N ATOM 0 H ARG A 18 1.535 9.248 -7.711 1.00 0.00 H new ATOM 0 HA ARG A 18 3.466 9.327 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.478 9.868 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.470 10.126 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.470 12.253 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.929 11.612 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.076 12.048 -7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.831 10.849 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.723 12.541 -7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.557 13.886 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.988 15.559 -7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.428 14.692 -7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.253 16.011 -7.228 1.00 0.00 H new ATOM 248 N VAL A 19 1.108 7.034 -5.675 1.00 0.00 N ATOM 249 CA VAL A 19 0.687 5.742 -5.155 1.00 0.00 C ATOM 250 C VAL A 19 1.803 4.703 -5.308 1.00 0.00 C ATOM 251 O VAL A 19 2.039 3.900 -4.407 1.00 0.00 O ATOM 252 CB VAL A 19 -0.591 5.255 -5.879 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.886 3.793 -5.560 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.780 6.129 -5.510 1.00 0.00 C ATOM 0 H VAL A 19 0.548 7.369 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 19 0.467 5.862 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.417 5.336 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.790 3.481 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.048 3.174 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.031 3.677 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.669 5.771 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.945 6.084 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.579 7.159 -5.803 1.00 0.00 H new ATOM 264 N LYS A 20 2.482 4.724 -6.459 1.00 0.00 N ATOM 265 CA LYS A 20 3.569 3.784 -6.741 1.00 0.00 C ATOM 266 C LYS A 20 4.833 4.095 -5.929 1.00 0.00 C ATOM 267 O LYS A 20 5.540 3.179 -5.509 1.00 0.00 O ATOM 268 CB LYS A 20 3.899 3.797 -8.237 1.00 0.00 C ATOM 269 CG LYS A 20 4.196 5.183 -8.785 1.00 0.00 C ATOM 270 CD LYS A 20 5.686 5.404 -8.980 1.00 0.00 C ATOM 271 CE LYS A 20 6.166 4.849 -10.314 1.00 0.00 C ATOM 272 NZ LYS A 20 7.408 4.037 -10.171 1.00 0.00 N ATOM 0 H LYS A 20 2.296 5.385 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 20 3.224 2.793 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.760 3.153 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.062 3.370 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.681 5.316 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.803 5.936 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.906 6.470 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.234 4.926 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.381 4.234 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.350 5.673 -11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.698 3.680 -11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.166 4.629 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.227 3.235 -9.534 1.00 0.00 H new ATOM 286 N GLU A 21 5.118 5.383 -5.712 1.00 0.00 N ATOM 287 CA GLU A 21 6.302 5.789 -4.955 1.00 0.00 C ATOM 288 C GLU A 21 6.086 5.596 -3.460 1.00 0.00 C ATOM 289 O GLU A 21 7.003 5.220 -2.728 1.00 0.00 O ATOM 290 CB GLU A 21 6.656 7.247 -5.251 1.00 0.00 C ATOM 291 CG GLU A 21 5.694 8.262 -4.661 1.00 0.00 C ATOM 292 CD GLU A 21 6.098 9.691 -4.971 1.00 0.00 C ATOM 293 OE1 GLU A 21 6.935 10.246 -4.229 1.00 0.00 O ATOM 294 OE2 GLU A 21 5.579 10.255 -5.956 1.00 0.00 O ATOM 0 H GLU A 21 4.547 6.158 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 21 7.132 5.156 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.657 7.449 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.693 7.386 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.693 8.078 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.646 8.127 -3.580 1.00 0.00 H new ATOM 301 N ILE A 22 4.866 5.862 -3.021 1.00 0.00 N ATOM 302 CA ILE A 22 4.506 5.724 -1.619 1.00 0.00 C ATOM 303 C ILE A 22 4.318 4.241 -1.248 1.00 0.00 C ATOM 304 O ILE A 22 4.635 3.829 -0.128 1.00 0.00 O ATOM 305 CB ILE A 22 3.247 6.570 -1.297 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.543 8.045 -1.579 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.806 6.401 0.151 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.310 8.913 -1.650 1.00 0.00 C ATOM 0 H ILE A 22 4.103 6.177 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 22 5.322 6.107 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 22 2.433 6.221 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.201 8.429 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.085 8.123 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.921 7.010 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.571 5.354 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.610 6.718 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.602 9.944 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.659 8.556 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.777 8.867 -0.700 1.00 0.00 H new ATOM 320 N ALA A 23 3.847 3.436 -2.212 1.00 0.00 N ATOM 321 CA ALA A 23 3.664 1.995 -2.006 1.00 0.00 C ATOM 322 C ALA A 23 5.021 1.305 -1.859 1.00 0.00 C ATOM 323 O ALA A 23 5.261 0.560 -0.900 1.00 0.00 O ATOM 324 CB ALA A 23 2.889 1.388 -3.167 1.00 0.00 C ATOM 0 H ALA A 23 3.586 3.761 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 23 3.093 1.845 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.761 0.319 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.911 1.863 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.439 1.547 -4.094 1.00 0.00 H new ATOM 330 N GLU A 24 5.913 1.578 -2.815 1.00 0.00 N ATOM 331 CA GLU A 24 7.252 1.016 -2.807 1.00 0.00 C ATOM 332 C GLU A 24 7.976 1.409 -1.526 1.00 0.00 C ATOM 333 O GLU A 24 8.620 0.573 -0.891 1.00 0.00 O ATOM 334 CB GLU A 24 8.031 1.487 -4.035 1.00 0.00 C ATOM 335 CG GLU A 24 8.356 2.970 -4.035 1.00 0.00 C ATOM 336 CD GLU A 24 9.009 3.430 -5.325 1.00 0.00 C ATOM 337 OE1 GLU A 24 8.348 3.366 -6.384 1.00 0.00 O ATOM 338 OE2 GLU A 24 10.180 3.855 -5.276 1.00 0.00 O ATOM 0 H GLU A 24 5.722 2.191 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 24 7.180 -0.071 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.961 0.923 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.454 1.253 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.440 3.538 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.019 3.192 -3.199 1.00 0.00 H new ATOM 345 N PHE A 25 7.841 2.682 -1.131 1.00 0.00 N ATOM 346 CA PHE A 25 8.461 3.162 0.098 1.00 0.00 C ATOM 347 C PHE A 25 7.984 2.322 1.276 1.00 0.00 C ATOM 348 O PHE A 25 8.753 2.023 2.189 1.00 0.00 O ATOM 349 CB PHE A 25 8.137 4.635 0.361 1.00 0.00 C ATOM 350 CG PHE A 25 8.889 5.195 1.539 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.522 4.869 2.839 1.00 0.00 C ATOM 352 CD2 PHE A 25 9.973 6.035 1.347 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.223 5.370 3.918 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.674 6.541 2.424 1.00 0.00 C ATOM 355 CZ PHE A 25 10.300 6.207 3.710 1.00 0.00 C ATOM 0 H PHE A 25 7.312 3.388 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 25 9.541 3.069 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.375 5.219 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.066 4.742 0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.678 4.216 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.274 6.297 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.929 5.107 4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.515 7.198 2.260 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.850 6.600 4.552 1.00 0.00 H new ATOM 365 N ALA A 26 6.705 1.936 1.243 1.00 0.00 N ATOM 366 CA ALA A 26 6.132 1.119 2.308 1.00 0.00 C ATOM 367 C ALA A 26 6.887 -0.203 2.453 1.00 0.00 C ATOM 368 O ALA A 26 7.262 -0.588 3.562 1.00 0.00 O ATOM 369 CB ALA A 26 4.655 0.863 2.052 1.00 0.00 C ATOM 0 H ALA A 26 6.054 2.176 0.495 1.00 0.00 H new ATOM 0 HA ALA A 26 6.231 1.670 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.247 0.252 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.123 1.813 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.536 0.340 1.103 1.00 0.00 H new ATOM 375 N LEU A 27 7.109 -0.894 1.328 1.00 0.00 N ATOM 376 CA LEU A 27 7.825 -2.177 1.347 1.00 0.00 C ATOM 377 C LEU A 27 9.280 -1.995 1.802 1.00 0.00 C ATOM 378 O LEU A 27 9.763 -2.736 2.658 1.00 0.00 O ATOM 379 CB LEU A 27 7.769 -2.858 -0.035 1.00 0.00 C ATOM 380 CG LEU A 27 9.007 -3.668 -0.433 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.252 -4.795 0.560 1.00 0.00 C ATOM 382 CD2 LEU A 27 8.846 -4.225 -1.840 1.00 0.00 C ATOM 0 H LEU A 27 6.807 -0.591 0.402 1.00 0.00 H new ATOM 0 HA LEU A 27 7.326 -2.824 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.903 -3.520 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.603 -2.090 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 27 9.872 -3.004 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.135 -5.359 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.409 -4.376 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.387 -5.458 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.734 -4.798 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.971 -4.874 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.718 -3.403 -2.544 1.00 0.00 H new ATOM 394 N LYS A 28 9.973 -1.013 1.223 1.00 0.00 N ATOM 395 CA LYS A 28 11.376 -0.743 1.569 1.00 0.00 C ATOM 396 C LYS A 28 11.534 -0.206 3.001 1.00 0.00 C ATOM 397 O LYS A 28 12.637 -0.225 3.548 1.00 0.00 O ATOM 398 CB LYS A 28 12.008 0.232 0.566 1.00 0.00 C ATOM 399 CG LYS A 28 11.211 1.510 0.354 1.00 0.00 C ATOM 400 CD LYS A 28 11.903 2.716 0.970 1.00 0.00 C ATOM 401 CE LYS A 28 12.365 3.702 -0.092 1.00 0.00 C ATOM 402 NZ LYS A 28 13.471 4.572 0.399 1.00 0.00 N ATOM 0 H LYS A 28 9.589 -0.390 0.512 1.00 0.00 H new ATOM 0 HA LYS A 28 11.900 -1.697 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.008 0.494 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.124 -0.274 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.070 1.678 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.219 1.397 0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.221 3.215 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.760 2.384 1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.698 3.155 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.524 4.323 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.756 5.229 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.146 5.113 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.283 3.981 0.669 1.00 0.00 H new ATOM 416 N GLN A 29 10.440 0.273 3.603 1.00 0.00 N ATOM 417 CA GLN A 29 10.481 0.808 4.966 1.00 0.00 C ATOM 418 C GLN A 29 10.295 -0.304 6.005 1.00 0.00 C ATOM 419 O GLN A 29 10.944 -0.292 7.052 1.00 0.00 O ATOM 420 CB GLN A 29 9.408 1.886 5.149 1.00 0.00 C ATOM 421 CG GLN A 29 9.532 2.664 6.452 1.00 0.00 C ATOM 422 CD GLN A 29 10.912 3.257 6.665 1.00 0.00 C ATOM 423 OE1 GLN A 29 11.780 2.512 7.340 1.00 0.00 O flip ATOM 424 NE2 GLN A 29 11.194 4.374 6.232 1.00 0.00 N flip ATOM 0 H GLN A 29 9.518 0.301 3.168 1.00 0.00 H new ATOM 0 HA GLN A 29 11.463 1.255 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.462 2.584 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.425 1.417 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.794 3.466 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.295 2.004 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.497 4.913 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.125 4.761 6.387 1.00 0.00 H new ATOM 433 N HIS A 30 9.419 -1.270 5.705 1.00 0.00 N ATOM 434 CA HIS A 30 9.165 -2.394 6.609 1.00 0.00 C ATOM 435 C HIS A 30 9.847 -3.659 6.101 1.00 0.00 C ATOM 436 O HIS A 30 9.666 -4.053 4.949 1.00 0.00 O ATOM 437 CB HIS A 30 7.668 -2.646 6.765 1.00 0.00 C ATOM 438 CG HIS A 30 7.300 -3.132 8.130 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.599 -2.374 9.044 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.553 -4.312 8.740 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.438 -3.069 10.155 1.00 0.00 C ATOM 442 NE2 HIS A 30 7.006 -4.248 9.996 1.00 0.00 N ATOM 0 H HIS A 30 8.875 -1.294 4.843 1.00 0.00 H new ATOM 0 HA HIS A 30 9.579 -2.133 7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.125 -1.724 6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.349 -3.380 6.025 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.087 -5.150 8.316 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.927 -2.729 11.044 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.034 -4.992 10.694 1.00 0.00 H new ATOM 451 N ALA A 31 10.635 -4.287 6.967 1.00 0.00 N ATOM 452 CA ALA A 31 11.356 -5.507 6.611 1.00 0.00 C ATOM 453 C ALA A 31 12.018 -6.134 7.840 1.00 0.00 C ATOM 454 O ALA A 31 13.179 -6.547 7.797 1.00 0.00 O ATOM 455 CB ALA A 31 12.386 -5.201 5.534 1.00 0.00 C ATOM 0 H ALA A 31 10.792 -3.971 7.924 1.00 0.00 H new ATOM 0 HA ALA A 31 10.643 -6.232 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.921 -6.114 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.883 -4.809 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.093 -4.460 5.907 1.00 0.00 H new ATOM 461 N GLU A 32 11.264 -6.188 8.937 1.00 0.00 N ATOM 462 CA GLU A 32 11.752 -6.746 10.196 1.00 0.00 C ATOM 463 C GLU A 32 11.891 -8.270 10.130 1.00 0.00 C ATOM 464 O GLU A 32 12.827 -8.838 10.696 1.00 0.00 O ATOM 465 CB GLU A 32 10.816 -6.322 11.339 1.00 0.00 C ATOM 466 CG GLU A 32 10.274 -7.459 12.193 1.00 0.00 C ATOM 467 CD GLU A 32 8.951 -7.106 12.844 1.00 0.00 C ATOM 468 OE1 GLU A 32 8.940 -6.222 13.725 1.00 0.00 O ATOM 469 OE2 GLU A 32 7.925 -7.712 12.471 1.00 0.00 O ATOM 0 H GLU A 32 10.303 -5.848 8.978 1.00 0.00 H new ATOM 0 HA GLU A 32 12.750 -6.351 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.352 -5.627 11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.974 -5.776 10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.147 -8.347 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.001 -7.710 12.965 1.00 0.00 H new ATOM 476 N GLN A 33 10.957 -8.923 9.440 1.00 0.00 N ATOM 477 CA GLN A 33 10.978 -10.385 9.308 1.00 0.00 C ATOM 478 C GLN A 33 11.452 -10.840 7.919 1.00 0.00 C ATOM 479 O GLN A 33 11.407 -12.032 7.611 1.00 0.00 O ATOM 480 CB GLN A 33 9.599 -10.992 9.611 1.00 0.00 C ATOM 481 CG GLN A 33 8.470 -9.979 9.733 1.00 0.00 C ATOM 482 CD GLN A 33 7.193 -10.595 10.274 1.00 0.00 C ATOM 483 OE1 GLN A 33 6.649 -11.570 9.554 1.00 0.00 O flip ATOM 484 NE2 GLN A 33 6.699 -10.197 11.328 1.00 0.00 N flip ATOM 0 H GLN A 33 10.178 -8.468 8.964 1.00 0.00 H new ATOM 0 HA GLN A 33 11.696 -10.748 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.348 -11.701 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.663 -11.558 10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.784 -9.167 10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.272 -9.541 8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.149 -9.445 11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.839 -10.619 11.680 1.00 0.00 H new ATOM 493 N ASN A 34 11.922 -9.897 7.094 1.00 0.00 N ATOM 494 CA ASN A 34 12.425 -10.206 5.752 1.00 0.00 C ATOM 495 C ASN A 34 11.349 -10.828 4.850 1.00 0.00 C ATOM 496 O ASN A 34 11.116 -12.039 4.882 1.00 0.00 O ATOM 497 CB ASN A 34 13.645 -11.134 5.848 1.00 0.00 C ATOM 498 CG ASN A 34 14.148 -11.593 4.489 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.073 -12.775 4.156 1.00 0.00 O ATOM 500 ND2 ASN A 34 14.666 -10.659 3.697 1.00 0.00 N ATOM 0 H ASN A 34 11.964 -8.907 7.336 1.00 0.00 H new ATOM 0 HA ASN A 34 12.719 -9.263 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.449 -10.616 6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.385 -12.007 6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.020 -10.912 2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.709 -9.690 4.012 1.00 0.00 H new ATOM 507 N LEU A 35 10.717 -9.986 4.030 1.00 0.00 N ATOM 508 CA LEU A 35 9.686 -10.429 3.092 1.00 0.00 C ATOM 509 C LEU A 35 9.820 -9.679 1.771 1.00 0.00 C ATOM 510 O LEU A 35 10.466 -8.630 1.712 1.00 0.00 O ATOM 511 CB LEU A 35 8.289 -10.244 3.697 1.00 0.00 C ATOM 512 CG LEU A 35 7.601 -8.908 3.401 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.363 -9.121 2.544 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.235 -8.199 4.695 1.00 0.00 C ATOM 0 H LEU A 35 10.905 -8.984 3.998 1.00 0.00 H new ATOM 0 HA LEU A 35 9.823 -11.492 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.648 -11.048 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.365 -10.359 4.778 1.00 0.00 H new ATOM 0 HG LEU A 35 8.298 -8.279 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.889 -8.160 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.649 -9.587 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.663 -9.769 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.747 -7.252 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.557 -8.826 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.139 -8.011 5.275 1.00 0.00 H new ATOM 526 N ILE A 36 9.248 -10.233 0.703 1.00 0.00 N ATOM 527 CA ILE A 36 9.364 -9.615 -0.611 1.00 0.00 C ATOM 528 C ILE A 36 8.012 -9.325 -1.242 1.00 0.00 C ATOM 529 O ILE A 36 7.198 -10.226 -1.421 1.00 0.00 O ATOM 530 CB ILE A 36 10.159 -10.525 -1.566 1.00 0.00 C ATOM 531 CG1 ILE A 36 10.942 -11.588 -0.781 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.082 -9.692 -2.436 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.390 -12.756 -1.627 1.00 0.00 C ATOM 0 H ILE A 36 8.707 -11.097 0.723 1.00 0.00 H new ATOM 0 HA ILE A 36 9.884 -8.669 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 36 9.457 -11.047 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.817 -11.122 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.320 -11.958 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.639 -10.346 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.492 -8.988 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.780 -9.142 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.936 -13.466 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.518 -13.247 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.039 -12.398 -2.426 1.00 0.00 H new ATOM 545 N LEU A 37 7.795 -8.063 -1.609 1.00 0.00 N ATOM 546 CA LEU A 37 6.555 -7.662 -2.251 1.00 0.00 C ATOM 547 C LEU A 37 6.663 -7.840 -3.760 1.00 0.00 C ATOM 548 O LEU A 37 7.477 -7.185 -4.413 1.00 0.00 O ATOM 549 CB LEU A 37 6.228 -6.209 -1.918 1.00 0.00 C ATOM 550 CG LEU A 37 4.788 -5.786 -2.208 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.892 -6.109 -1.021 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.726 -4.304 -2.543 1.00 0.00 C ATOM 0 H LEU A 37 8.464 -7.305 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 37 5.751 -8.295 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.434 -6.039 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.901 -5.563 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 37 4.428 -6.345 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.870 -5.802 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.915 -7.182 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.248 -5.575 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.694 -4.020 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.102 -3.724 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.338 -4.104 -3.423 1.00 0.00 H new ATOM 564 N ALA A 38 5.841 -8.731 -4.306 1.00 0.00 N ATOM 565 CA ALA A 38 5.842 -8.994 -5.740 1.00 0.00 C ATOM 566 C ALA A 38 5.364 -7.777 -6.523 1.00 0.00 C ATOM 567 O ALA A 38 5.799 -7.559 -7.655 1.00 0.00 O ATOM 568 CB ALA A 38 4.981 -10.203 -6.066 1.00 0.00 C ATOM 0 H ALA A 38 5.166 -9.283 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 38 6.869 -9.208 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.996 -10.381 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.372 -11.079 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.956 -10.018 -5.743 1.00 0.00 H new ATOM 574 N GLY A 39 4.474 -6.978 -5.922 1.00 0.00 N ATOM 575 CA GLY A 39 3.987 -5.796 -6.618 1.00 0.00 C ATOM 576 C GLY A 39 2.726 -5.196 -6.021 1.00 0.00 C ATOM 577 O GLY A 39 2.049 -5.822 -5.204 1.00 0.00 O ATOM 0 H GLY A 39 4.091 -7.125 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.771 -5.039 -6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.795 -6.055 -7.659 1.00 0.00 H new ATOM 581 N VAL A 40 2.421 -3.968 -6.450 1.00 0.00 N ATOM 582 CA VAL A 40 1.242 -3.238 -5.987 1.00 0.00 C ATOM 583 C VAL A 40 -0.038 -3.837 -6.578 1.00 0.00 C ATOM 584 O VAL A 40 -0.181 -3.938 -7.798 1.00 0.00 O ATOM 585 CB VAL A 40 1.348 -1.736 -6.364 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.009 -1.017 -6.227 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.416 -1.046 -5.521 1.00 0.00 C ATOM 0 H VAL A 40 2.985 -3.454 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 40 1.197 -3.327 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 40 1.639 -1.684 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.129 0.031 -6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.723 -1.483 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.337 -1.085 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.476 0.006 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.156 -1.128 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.381 -1.523 -5.695 1.00 0.00 H new ATOM 597 N ASP A 41 -0.965 -4.230 -5.700 1.00 0.00 N ATOM 598 CA ASP A 41 -2.236 -4.818 -6.126 1.00 0.00 C ATOM 599 C ASP A 41 -3.313 -3.741 -6.266 1.00 0.00 C ATOM 600 O ASP A 41 -3.790 -3.467 -7.368 1.00 0.00 O ATOM 601 CB ASP A 41 -2.687 -5.890 -5.124 1.00 0.00 C ATOM 602 CG ASP A 41 -2.867 -7.253 -5.764 1.00 0.00 C ATOM 603 OD1 ASP A 41 -3.896 -7.462 -6.441 1.00 0.00 O ATOM 604 OD2 ASP A 41 -1.980 -8.114 -5.586 1.00 0.00 O ATOM 0 H ASP A 41 -0.858 -4.151 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.088 -5.284 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.952 -5.964 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.627 -5.581 -4.667 1.00 0.00 H new ATOM 609 N ALA A 42 -3.681 -3.133 -5.138 1.00 0.00 N ATOM 610 CA ALA A 42 -4.693 -2.078 -5.108 1.00 0.00 C ATOM 611 C ALA A 42 -4.566 -1.266 -3.823 1.00 0.00 C ATOM 612 O ALA A 42 -3.891 -1.690 -2.888 1.00 0.00 O ATOM 613 CB ALA A 42 -6.090 -2.669 -5.229 1.00 0.00 C ATOM 0 H ALA A 42 -3.288 -3.357 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.530 -1.416 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.828 -1.867 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.175 -3.212 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.269 -3.352 -4.399 1.00 0.00 H new ATOM 619 N GLY A 43 -5.202 -0.098 -3.772 1.00 0.00 N ATOM 620 CA GLY A 43 -5.106 0.719 -2.580 1.00 0.00 C ATOM 621 C GLY A 43 -6.123 1.835 -2.507 1.00 0.00 C ATOM 622 O GLY A 43 -7.023 1.934 -3.335 1.00 0.00 O ATOM 0 H GLY A 43 -5.773 0.290 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.222 0.079 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.106 1.150 -2.529 1.00 0.00 H new ATOM 626 N GLN A 44 -5.966 2.663 -1.483 1.00 0.00 N ATOM 627 CA GLN A 44 -6.855 3.783 -1.224 1.00 0.00 C ATOM 628 C GLN A 44 -6.069 5.009 -0.761 1.00 0.00 C ATOM 629 O GLN A 44 -4.888 4.911 -0.426 1.00 0.00 O ATOM 630 CB GLN A 44 -7.865 3.374 -0.154 1.00 0.00 C ATOM 631 CG GLN A 44 -8.934 2.431 -0.677 1.00 0.00 C ATOM 632 CD GLN A 44 -9.709 1.746 0.433 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.431 2.393 1.191 1.00 0.00 O ATOM 634 NE2 GLN A 44 -9.564 0.428 0.535 1.00 0.00 N ATOM 0 H GLN A 44 -5.210 2.574 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.374 4.047 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.338 2.895 0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.342 4.268 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.627 2.989 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.467 1.675 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.955 -0.070 -0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.062 -0.085 1.263 1.00 0.00 H new ATOM 643 N ILE A 45 -6.737 6.159 -0.733 1.00 0.00 N ATOM 644 CA ILE A 45 -6.109 7.404 -0.303 1.00 0.00 C ATOM 645 C ILE A 45 -7.108 8.279 0.451 1.00 0.00 C ATOM 646 O ILE A 45 -8.274 8.380 0.064 1.00 0.00 O ATOM 647 CB ILE A 45 -5.533 8.192 -1.501 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.306 7.470 -2.061 1.00 0.00 C ATOM 649 CG2 ILE A 45 -5.176 9.620 -1.096 1.00 0.00 C ATOM 650 CD1 ILE A 45 -3.791 8.065 -3.349 1.00 0.00 C ATOM 0 H ILE A 45 -7.716 6.254 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.287 7.139 0.362 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.296 8.246 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.510 7.492 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.556 6.422 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.773 10.153 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.070 10.131 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.430 9.597 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.921 7.503 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.571 8.018 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.509 9.105 -3.182 1.00 0.00 H new ATOM 662 N ILE A 46 -6.637 8.921 1.518 1.00 0.00 N ATOM 663 CA ILE A 46 -7.479 9.800 2.317 1.00 0.00 C ATOM 664 C ILE A 46 -7.101 11.249 2.041 1.00 0.00 C ATOM 665 O ILE A 46 -5.967 11.673 2.322 1.00 0.00 O ATOM 666 CB ILE A 46 -7.345 9.498 3.824 1.00 0.00 C ATOM 667 CG1 ILE A 46 -7.660 8.025 4.096 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.264 10.400 4.634 1.00 0.00 C ATOM 669 CD1 ILE A 46 -7.041 7.499 5.373 1.00 0.00 C ATOM 0 H ILE A 46 -5.675 8.847 1.847 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.518 9.627 2.036 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.318 9.697 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.741 7.897 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.307 7.426 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.155 10.172 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.998 11.442 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.298 10.233 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.306 6.450 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.957 7.595 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.414 8.073 6.221 1.00 0.00 H new ATOM 681 N LYS A 47 -8.048 11.985 1.446 1.00 0.00 N ATOM 682 CA LYS A 47 -7.828 13.378 1.072 1.00 0.00 C ATOM 683 C LYS A 47 -9.005 14.293 1.431 1.00 0.00 C ATOM 684 O LYS A 47 -10.126 13.842 1.668 1.00 0.00 O ATOM 685 CB LYS A 47 -7.551 13.468 -0.433 1.00 0.00 C ATOM 686 CG LYS A 47 -8.616 12.805 -1.295 1.00 0.00 C ATOM 687 CD LYS A 47 -8.176 11.429 -1.768 1.00 0.00 C ATOM 688 CE LYS A 47 -9.351 10.619 -2.298 1.00 0.00 C ATOM 689 NZ LYS A 47 -9.411 10.622 -3.787 1.00 0.00 N ATOM 0 H LYS A 47 -8.977 11.632 1.214 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.969 13.727 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.470 14.518 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.587 13.006 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.542 12.716 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.831 13.435 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.424 11.535 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.706 10.893 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.272 9.592 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.280 11.025 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.226 10.059 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.512 11.599 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.536 10.210 -4.171 1.00 0.00 H new ATOM 703 N GLY A 48 -8.710 15.592 1.430 1.00 0.00 N ATOM 704 CA GLY A 48 -9.688 16.634 1.714 1.00 0.00 C ATOM 705 C GLY A 48 -9.157 17.963 1.213 1.00 0.00 C ATOM 706 O GLY A 48 -9.590 18.471 0.178 1.00 0.00 O ATOM 0 H GLY A 48 -7.776 15.951 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.636 16.401 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.881 16.686 2.785 1.00 0.00 H new ATOM 710 N ILE A 49 -8.153 18.473 1.922 1.00 0.00 N ATOM 711 CA ILE A 49 -7.456 19.695 1.544 1.00 0.00 C ATOM 712 C ILE A 49 -5.989 19.316 1.352 1.00 0.00 C ATOM 713 O ILE A 49 -5.310 18.942 2.311 1.00 0.00 O ATOM 714 CB ILE A 49 -7.600 20.812 2.608 1.00 0.00 C ATOM 715 CG1 ILE A 49 -7.153 22.157 2.028 1.00 0.00 C ATOM 716 CG2 ILE A 49 -6.806 20.479 3.864 1.00 0.00 C ATOM 717 CD1 ILE A 49 -7.797 23.352 2.699 1.00 0.00 C ATOM 0 H ILE A 49 -7.800 18.047 2.779 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.889 20.103 0.631 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.651 20.883 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.070 22.240 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.386 22.179 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.926 21.280 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.172 19.544 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.751 20.374 3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.433 24.269 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.880 23.293 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.543 23.355 3.759 1.00 0.00 H new ATOM 729 N PRO A 50 -5.488 19.306 0.107 1.00 0.00 N ATOM 730 CA PRO A 50 -4.128 18.859 -0.154 1.00 0.00 C ATOM 731 C PRO A 50 -3.030 19.880 0.103 1.00 0.00 C ATOM 732 O PRO A 50 -2.892 20.884 -0.598 1.00 0.00 O ATOM 733 CB PRO A 50 -4.163 18.475 -1.621 1.00 0.00 C ATOM 734 CG PRO A 50 -5.170 19.403 -2.214 1.00 0.00 C ATOM 735 CD PRO A 50 -6.211 19.629 -1.140 1.00 0.00 C ATOM 0 HA PRO A 50 -3.866 18.054 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.186 18.595 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.454 17.433 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.706 20.343 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.619 18.972 -3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.573 20.657 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.080 18.985 -1.280 1.00 0.00 H new ATOM 743 N HIS A 51 -2.213 19.535 1.082 1.00 0.00 N ATOM 744 CA HIS A 51 -1.034 20.299 1.466 1.00 0.00 C ATOM 745 C HIS A 51 0.197 19.380 1.353 1.00 0.00 C ATOM 746 O HIS A 51 1.283 19.705 1.834 1.00 0.00 O ATOM 747 CB HIS A 51 -1.184 20.826 2.897 1.00 0.00 C ATOM 748 CG HIS A 51 -0.531 22.154 3.130 1.00 0.00 C ATOM 749 ND1 HIS A 51 -0.255 22.643 4.389 1.00 0.00 N ATOM 750 CD2 HIS A 51 -0.102 23.100 2.261 1.00 0.00 C ATOM 751 CE1 HIS A 51 0.315 23.830 4.285 1.00 0.00 C ATOM 752 NE2 HIS A 51 0.419 24.130 3.004 1.00 0.00 N ATOM 0 H HIS A 51 -2.352 18.697 1.647 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.914 21.158 0.806 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.245 20.908 3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.759 20.098 3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.159 23.053 1.184 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.640 24.449 5.108 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.821 24.988 2.627 1.00 0.00 H new ATOM 761 N TRP A 52 -0.019 18.212 0.721 1.00 0.00 N ATOM 762 CA TRP A 52 0.992 17.182 0.526 1.00 0.00 C ATOM 763 C TRP A 52 1.249 16.383 1.810 1.00 0.00 C ATOM 764 O TRP A 52 2.348 15.876 2.041 1.00 0.00 O ATOM 765 CB TRP A 52 2.277 17.746 -0.084 1.00 0.00 C ATOM 766 CG TRP A 52 2.744 16.947 -1.272 1.00 0.00 C ATOM 767 CD1 TRP A 52 4.025 16.839 -1.729 1.00 0.00 C ATOM 768 CD2 TRP A 52 1.935 16.134 -2.151 1.00 0.00 C ATOM 769 NE1 TRP A 52 4.071 16.006 -2.820 1.00 0.00 N ATOM 770 CE2 TRP A 52 2.805 15.561 -3.098 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.564 15.828 -2.228 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.356 14.703 -4.100 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.125 14.977 -3.222 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.018 14.420 -4.143 1.00 0.00 C ATOM 0 H TRP A 52 -0.926 17.962 0.326 1.00 0.00 H new ATOM 0 HA TRP A 52 0.593 16.476 -0.202 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.110 18.780 -0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.061 17.759 0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.880 17.337 -1.295 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.913 15.758 -3.340 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.134 16.252 -1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.041 14.276 -4.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.926 14.737 -3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.643 13.752 -4.905 1.00 0.00 H new ATOM 785 N ASP A 53 0.184 16.241 2.608 1.00 0.00 N ATOM 786 CA ASP A 53 0.203 15.465 3.850 1.00 0.00 C ATOM 787 C ASP A 53 -0.862 14.360 3.768 1.00 0.00 C ATOM 788 O ASP A 53 -1.405 13.927 4.787 1.00 0.00 O ATOM 789 CB ASP A 53 -0.082 16.368 5.060 1.00 0.00 C ATOM 790 CG ASP A 53 0.826 17.583 5.132 1.00 0.00 C ATOM 791 OD1 ASP A 53 0.680 18.486 4.286 1.00 0.00 O ATOM 792 OD2 ASP A 53 1.674 17.635 6.044 1.00 0.00 O ATOM 0 H ASP A 53 -0.721 16.665 2.407 1.00 0.00 H new ATOM 0 HA ASP A 53 1.191 15.023 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.119 16.701 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.030 15.785 5.974 1.00 0.00 H new ATOM 797 N ASN A 54 -1.181 13.944 2.535 1.00 0.00 N ATOM 798 CA ASN A 54 -2.212 12.935 2.274 1.00 0.00 C ATOM 799 C ASN A 54 -1.871 11.576 2.877 1.00 0.00 C ATOM 800 O ASN A 54 -0.699 11.219 3.018 1.00 0.00 O ATOM 801 CB ASN A 54 -2.442 12.821 0.758 1.00 0.00 C ATOM 802 CG ASN A 54 -3.893 13.028 0.369 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.471 12.225 -0.359 1.00 0.00 O ATOM 804 ND2 ASN A 54 -4.488 14.116 0.848 1.00 0.00 N ATOM 0 H ASN A 54 -0.730 14.299 1.691 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.130 13.262 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.824 13.557 0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.116 11.838 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.462 14.310 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.971 14.757 1.450 1.00 0.00 H new ATOM 811 N TYR A 55 -2.918 10.825 3.245 1.00 0.00 N ATOM 812 CA TYR A 55 -2.743 9.506 3.852 1.00 0.00 C ATOM 813 C TYR A 55 -2.983 8.387 2.844 1.00 0.00 C ATOM 814 O TYR A 55 -4.043 8.318 2.220 1.00 0.00 O ATOM 815 CB TYR A 55 -3.686 9.352 5.040 1.00 0.00 C ATOM 816 CG TYR A 55 -3.077 9.782 6.355 1.00 0.00 C ATOM 817 CD1 TYR A 55 -1.728 9.585 6.619 1.00 0.00 C ATOM 818 CD2 TYR A 55 -3.855 10.380 7.334 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.171 9.972 7.821 1.00 0.00 C ATOM 820 CE2 TYR A 55 -3.307 10.770 8.541 1.00 0.00 C ATOM 821 CZ TYR A 55 -1.966 10.564 8.780 1.00 0.00 C ATOM 822 OH TYR A 55 -1.417 10.949 9.981 1.00 0.00 O ATOM 0 H TYR A 55 -3.891 11.110 3.132 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.711 9.429 4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.586 9.938 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.995 8.309 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.103 9.121 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.907 10.544 7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.120 9.812 8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.927 11.234 9.294 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.111 11.350 10.544 1.00 0.00 H new ATOM 832 N TYR A 56 -1.988 7.513 2.686 1.00 0.00 N ATOM 833 CA TYR A 56 -2.084 6.405 1.742 1.00 0.00 C ATOM 834 C TYR A 56 -2.333 5.067 2.448 1.00 0.00 C ATOM 835 O TYR A 56 -1.576 4.661 3.328 1.00 0.00 O ATOM 836 CB TYR A 56 -0.805 6.335 0.898 1.00 0.00 C ATOM 837 CG TYR A 56 -0.764 7.344 -0.234 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.743 8.707 0.029 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.744 6.935 -1.562 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.706 9.633 -0.995 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.707 7.856 -2.592 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.689 9.203 -2.303 1.00 0.00 C ATOM 843 OH TYR A 56 -0.655 10.122 -3.325 1.00 0.00 O ATOM 0 H TYR A 56 -1.108 7.553 3.200 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.941 6.590 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.056 6.495 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.709 5.332 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.756 9.049 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.758 5.880 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.690 10.689 -0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.692 7.521 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.186 10.928 -3.024 1.00 0.00 H new ATOM 853 N ASN A 57 -3.400 4.388 2.028 1.00 0.00 N ATOM 854 CA ASN A 57 -3.781 3.080 2.570 1.00 0.00 C ATOM 855 C ASN A 57 -3.877 2.094 1.415 1.00 0.00 C ATOM 856 O ASN A 57 -4.750 2.239 0.575 1.00 0.00 O ATOM 857 CB ASN A 57 -5.137 3.179 3.280 1.00 0.00 C ATOM 858 CG ASN A 57 -5.502 1.913 4.038 1.00 0.00 C ATOM 859 OD1 ASN A 57 -5.352 0.804 3.526 1.00 0.00 O ATOM 860 ND2 ASN A 57 -5.990 2.072 5.264 1.00 0.00 N ATOM 0 H ASN A 57 -4.028 4.729 1.300 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.036 2.745 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.117 4.019 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.912 3.392 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.256 1.257 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.099 3.009 5.652 1.00 0.00 H new ATOM 867 N LEU A 58 -2.972 1.117 1.336 1.00 0.00 N ATOM 868 CA LEU A 58 -3.008 0.182 0.202 1.00 0.00 C ATOM 869 C LEU A 58 -2.753 -1.274 0.580 1.00 0.00 C ATOM 870 O LEU A 58 -2.308 -1.588 1.684 1.00 0.00 O ATOM 871 CB LEU A 58 -1.983 0.610 -0.849 1.00 0.00 C ATOM 872 CG LEU A 58 -2.137 2.043 -1.360 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.230 2.983 -0.580 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.840 2.116 -2.852 1.00 0.00 C ATOM 0 H LEU A 58 -2.229 0.952 2.015 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.024 0.227 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.984 0.497 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.050 -0.071 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.169 2.357 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.351 3.999 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.496 2.952 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.192 2.672 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.955 3.144 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.818 1.784 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.534 1.472 -3.393 1.00 0.00 H new ATOM 886 N ILE A 59 -3.040 -2.148 -0.390 1.00 0.00 N ATOM 887 CA ILE A 59 -2.857 -3.592 -0.255 1.00 0.00 C ATOM 888 C ILE A 59 -2.057 -4.127 -1.449 1.00 0.00 C ATOM 889 O ILE A 59 -2.405 -3.859 -2.600 1.00 0.00 O ATOM 890 CB ILE A 59 -4.210 -4.335 -0.208 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.282 -3.478 0.476 1.00 0.00 C ATOM 892 CG2 ILE A 59 -4.057 -5.680 0.491 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.178 -3.450 1.984 1.00 0.00 C ATOM 0 H ILE A 59 -3.409 -1.868 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.324 -3.767 0.679 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.535 -4.519 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.212 -2.458 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.266 -3.855 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.020 -6.189 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.336 -6.292 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.705 -5.522 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.971 -2.823 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.279 -4.463 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.209 -3.044 2.274 1.00 0.00 H new ATOM 905 N LEU A 60 -0.989 -4.873 -1.181 1.00 0.00 N ATOM 906 CA LEU A 60 -0.155 -5.423 -2.250 1.00 0.00 C ATOM 907 C LEU A 60 0.149 -6.907 -2.018 1.00 0.00 C ATOM 908 O LEU A 60 -0.119 -7.445 -0.942 1.00 0.00 O ATOM 909 CB LEU A 60 1.157 -4.632 -2.371 1.00 0.00 C ATOM 910 CG LEU A 60 1.085 -3.143 -1.999 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.179 -2.956 -0.494 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.189 -2.367 -2.698 1.00 0.00 C ATOM 0 H LEU A 60 -0.680 -5.111 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.714 -5.333 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.905 -5.108 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.513 -4.712 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 60 0.122 -2.756 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.126 -1.894 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.354 -3.478 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.125 -3.361 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.124 -1.314 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.159 -2.761 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.077 -2.468 -3.778 1.00 0.00 H new ATOM 924 N SER A 61 0.714 -7.561 -3.038 1.00 0.00 N ATOM 925 CA SER A 61 1.066 -8.979 -2.946 1.00 0.00 C ATOM 926 C SER A 61 2.552 -9.145 -2.633 1.00 0.00 C ATOM 927 O SER A 61 3.397 -8.451 -3.214 1.00 0.00 O ATOM 928 CB SER A 61 0.718 -9.714 -4.242 1.00 0.00 C ATOM 929 OG SER A 61 -0.574 -10.288 -4.169 1.00 0.00 O ATOM 0 H SER A 61 0.937 -7.130 -3.935 1.00 0.00 H new ATOM 0 HA SER A 61 0.485 -9.416 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.765 -9.020 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.456 -10.494 -4.431 1.00 0.00 H new ATOM 0 HG SER A 61 -1.221 -9.693 -4.602 1.00 0.00 H new ATOM 935 N ALA A 62 2.856 -10.062 -1.705 1.00 0.00 N ATOM 936 CA ALA A 62 4.235 -10.322 -1.287 1.00 0.00 C ATOM 937 C ALA A 62 4.449 -11.782 -0.880 1.00 0.00 C ATOM 938 O ALA A 62 3.569 -12.412 -0.290 1.00 0.00 O ATOM 939 CB ALA A 62 4.603 -9.404 -0.132 1.00 0.00 C ATOM 0 H ALA A 62 2.161 -10.637 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 62 4.882 -10.123 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.630 -9.601 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.512 -8.365 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.931 -9.587 0.707 1.00 0.00 H new ATOM 945 N LYS A 63 5.638 -12.300 -1.193 1.00 0.00 N ATOM 946 CA LYS A 63 6.010 -13.674 -0.861 1.00 0.00 C ATOM 947 C LYS A 63 7.500 -13.771 -0.527 1.00 0.00 C ATOM 948 O LYS A 63 8.268 -12.834 -0.774 1.00 0.00 O ATOM 949 CB LYS A 63 5.645 -14.647 -1.994 1.00 0.00 C ATOM 950 CG LYS A 63 5.902 -14.119 -3.397 1.00 0.00 C ATOM 951 CD LYS A 63 7.372 -14.215 -3.775 1.00 0.00 C ATOM 952 CE LYS A 63 7.966 -12.845 -4.068 1.00 0.00 C ATOM 953 NZ LYS A 63 8.706 -12.816 -5.362 1.00 0.00 N ATOM 0 H LYS A 63 6.367 -11.780 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 63 5.440 -13.963 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.211 -15.569 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.590 -14.905 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.305 -14.683 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.577 -13.080 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.927 -14.687 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.482 -14.855 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.168 -12.103 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.640 -12.563 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.093 -11.864 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.484 -13.505 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.058 -13.059 -6.138 1.00 0.00 H new ATOM 967 N HIS A 64 7.892 -14.898 0.067 1.00 0.00 N ATOM 968 CA HIS A 64 9.278 -15.128 0.458 1.00 0.00 C ATOM 969 C HIS A 64 10.038 -15.950 -0.593 1.00 0.00 C ATOM 970 O HIS A 64 11.257 -16.097 -0.499 1.00 0.00 O ATOM 971 CB HIS A 64 9.321 -15.845 1.807 1.00 0.00 C ATOM 972 CG HIS A 64 8.667 -15.084 2.919 1.00 0.00 C ATOM 973 ND1 HIS A 64 8.495 -13.754 3.105 1.00 0.00 N flip ATOM 974 CD2 HIS A 64 8.088 -15.697 4.009 1.00 0.00 C flip ATOM 975 CE1 HIS A 64 7.822 -13.591 4.290 1.00 0.00 C flip ATOM 976 NE2 HIS A 64 7.588 -14.779 4.814 1.00 0.00 N flip ATOM 0 H HIS A 64 7.262 -15.669 0.288 1.00 0.00 H new ATOM 0 HA HIS A 64 9.768 -14.158 0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.834 -16.815 1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.361 -16.036 2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.050 -16.763 4.178 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.532 -12.645 4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.102 -14.958 5.693 1.00 0.00 H new ATOM 985 N SER A 65 9.322 -16.490 -1.588 1.00 0.00 N ATOM 986 CA SER A 65 9.955 -17.296 -2.635 1.00 0.00 C ATOM 987 C SER A 65 9.157 -17.250 -3.941 1.00 0.00 C ATOM 988 O SER A 65 7.924 -17.221 -3.929 1.00 0.00 O ATOM 989 CB SER A 65 10.108 -18.747 -2.174 1.00 0.00 C ATOM 990 OG SER A 65 8.959 -19.190 -1.479 1.00 0.00 O ATOM 0 H SER A 65 8.313 -16.384 -1.688 1.00 0.00 H new ATOM 0 HA SER A 65 10.941 -16.871 -2.823 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.283 -19.389 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.982 -18.835 -1.529 1.00 0.00 H new ATOM 0 HG SER A 65 9.063 -19.002 -0.523 1.00 0.00 H new ATOM 996 N PRO A 66 9.864 -17.256 -5.091 1.00 0.00 N ATOM 997 CA PRO A 66 9.236 -17.220 -6.421 1.00 0.00 C ATOM 998 C PRO A 66 8.403 -18.469 -6.719 1.00 0.00 C ATOM 999 O PRO A 66 7.419 -18.401 -7.457 1.00 0.00 O ATOM 1000 CB PRO A 66 10.426 -17.130 -7.382 1.00 0.00 C ATOM 1001 CG PRO A 66 11.582 -17.672 -6.616 1.00 0.00 C ATOM 1002 CD PRO A 66 11.334 -17.309 -5.180 1.00 0.00 C ATOM 0 HA PRO A 66 8.536 -16.389 -6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.246 -17.709 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.606 -16.101 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.659 -18.752 -6.738 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.520 -17.244 -6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.751 -18.052 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.787 -16.351 -4.923 1.00 0.00 H new ATOM 1010 N HIS A 67 8.801 -19.605 -6.141 1.00 0.00 N ATOM 1011 CA HIS A 67 8.088 -20.865 -6.346 1.00 0.00 C ATOM 1012 C HIS A 67 6.949 -21.049 -5.334 1.00 0.00 C ATOM 1013 O HIS A 67 6.400 -22.145 -5.211 1.00 0.00 O ATOM 1014 CB HIS A 67 9.064 -22.044 -6.250 1.00 0.00 C ATOM 1015 CG HIS A 67 9.815 -22.311 -7.517 1.00 0.00 C ATOM 1016 ND1 HIS A 67 9.835 -23.544 -8.135 1.00 0.00 N ATOM 1017 CD2 HIS A 67 10.582 -21.498 -8.282 1.00 0.00 C ATOM 1018 CE1 HIS A 67 10.581 -23.478 -9.222 1.00 0.00 C ATOM 1019 NE2 HIS A 67 11.045 -22.249 -9.334 1.00 0.00 N ATOM 0 H HIS A 67 9.613 -19.677 -5.528 1.00 0.00 H new ATOM 0 HA HIS A 67 7.647 -20.834 -7.342 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.778 -21.848 -5.450 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.510 -22.940 -5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.790 -20.454 -8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 67 10.778 -24.292 -9.904 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.650 -21.911 -10.082 1.00 0.00 H new ATOM 1028 N GLU A 68 6.593 -19.980 -4.611 1.00 0.00 N ATOM 1029 CA GLU A 68 5.521 -20.052 -3.623 1.00 0.00 C ATOM 1030 C GLU A 68 4.457 -18.986 -3.865 1.00 0.00 C ATOM 1031 O GLU A 68 4.646 -18.063 -4.659 1.00 0.00 O ATOM 1032 CB GLU A 68 6.082 -19.914 -2.212 1.00 0.00 C ATOM 1033 CG GLU A 68 6.452 -21.245 -1.581 1.00 0.00 C ATOM 1034 CD GLU A 68 7.331 -21.098 -0.354 1.00 0.00 C ATOM 1035 OE1 GLU A 68 7.022 -20.244 0.504 1.00 0.00 O ATOM 1036 OE2 GLU A 68 8.328 -21.840 -0.250 1.00 0.00 O ATOM 0 H GLU A 68 7.031 -19.063 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 68 5.049 -21.029 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.965 -19.275 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.346 -19.413 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.541 -21.776 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.968 -21.859 -2.319 1.00 0.00 H new ATOM 1043 N PHE A 69 3.331 -19.141 -3.177 1.00 0.00 N ATOM 1044 CA PHE A 69 2.200 -18.226 -3.300 1.00 0.00 C ATOM 1045 C PHE A 69 2.504 -16.833 -2.766 1.00 0.00 C ATOM 1046 O PHE A 69 3.392 -16.647 -1.933 1.00 0.00 O ATOM 1047 CB PHE A 69 1.000 -18.784 -2.538 1.00 0.00 C ATOM 1048 CG PHE A 69 0.184 -19.762 -3.320 1.00 0.00 C ATOM 1049 CD1 PHE A 69 0.747 -20.933 -3.799 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -1.152 -19.511 -3.567 1.00 0.00 C ATOM 1051 CE1 PHE A 69 -0.015 -21.836 -4.515 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -1.918 -20.406 -4.278 1.00 0.00 C ATOM 1053 CZ PHE A 69 -1.351 -21.573 -4.755 1.00 0.00 C ATOM 0 H PHE A 69 3.176 -19.904 -2.518 1.00 0.00 H new ATOM 0 HA PHE A 69 1.985 -18.138 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.354 -19.268 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.361 -17.956 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.790 -21.142 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.601 -18.601 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.432 -22.746 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.961 -20.197 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.950 -22.277 -5.313 1.00 0.00 H new ATOM 1063 N SER A 70 1.712 -15.869 -3.234 1.00 0.00 N ATOM 1064 CA SER A 70 1.819 -14.479 -2.804 1.00 0.00 C ATOM 1065 C SER A 70 0.543 -14.092 -2.074 1.00 0.00 C ATOM 1066 O SER A 70 -0.559 -14.330 -2.572 1.00 0.00 O ATOM 1067 CB SER A 70 2.026 -13.542 -3.993 1.00 0.00 C ATOM 1068 OG SER A 70 2.894 -14.112 -4.959 1.00 0.00 O ATOM 0 H SER A 70 0.978 -16.032 -3.923 1.00 0.00 H new ATOM 0 HA SER A 70 2.682 -14.385 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.064 -13.319 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.439 -12.596 -3.644 1.00 0.00 H new ATOM 0 HG SER A 70 3.005 -13.489 -5.707 1.00 0.00 H new ATOM 1074 N LYS A 71 0.690 -13.509 -0.895 1.00 0.00 N ATOM 1075 CA LYS A 71 -0.464 -13.108 -0.102 1.00 0.00 C ATOM 1076 C LYS A 71 -0.625 -11.594 -0.090 1.00 0.00 C ATOM 1077 O LYS A 71 0.258 -10.863 -0.540 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.341 -13.648 1.324 1.00 0.00 C ATOM 1079 CG LYS A 71 -0.402 -15.171 1.417 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.413 -15.775 0.443 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.845 -15.520 0.893 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.835 -15.882 -0.160 1.00 0.00 N ATOM 0 H LYS A 71 1.592 -13.303 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.356 -13.534 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.601 -13.305 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.140 -13.224 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.586 -15.584 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.665 -15.460 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.262 -15.350 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.243 -16.848 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.049 -16.096 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.961 -14.468 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.797 -15.693 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.657 -15.314 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.743 -16.892 -0.391 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.763 -11.130 0.416 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.044 -9.702 0.476 1.00 0.00 C ATOM 1098 C PHE A 72 -1.586 -9.107 1.799 1.00 0.00 C ATOM 1099 O PHE A 72 -1.537 -9.795 2.819 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.540 -9.437 0.287 1.00 0.00 C ATOM 1101 CG PHE A 72 -4.085 -9.917 -1.029 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -3.324 -9.843 -2.185 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -5.363 -10.441 -1.105 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -3.829 -10.284 -3.393 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.874 -10.884 -2.310 1.00 0.00 C ATOM 1106 CZ PHE A 72 -5.106 -10.805 -3.455 1.00 0.00 C ATOM 0 H PHE A 72 -2.504 -11.722 0.790 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.490 -9.225 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.089 -9.922 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.723 -8.366 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.325 -9.436 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.968 -10.505 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.226 -10.221 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.873 -11.292 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.504 -11.150 -4.398 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.257 -7.819 1.768 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.810 -7.099 2.950 1.00 0.00 C ATOM 1118 C TYR A 73 -1.337 -5.667 2.904 1.00 0.00 C ATOM 1119 O TYR A 73 -1.343 -5.046 1.846 1.00 0.00 O ATOM 1120 CB TYR A 73 0.720 -7.085 3.024 1.00 0.00 C ATOM 1121 CG TYR A 73 1.366 -8.454 2.955 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.493 -9.126 1.745 1.00 0.00 C ATOM 1123 CD2 TYR A 73 1.857 -9.068 4.099 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.087 -10.371 1.681 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.455 -10.312 4.040 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.566 -10.959 2.830 1.00 0.00 C ATOM 1127 OH TYR A 73 3.160 -12.197 2.767 1.00 0.00 O ATOM 0 H TYR A 73 -1.294 -7.248 0.923 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.196 -7.603 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.105 -6.474 2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.022 -6.601 3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.121 -8.667 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.770 -8.565 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.175 -10.881 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.834 -10.775 4.939 1.00 0.00 H new ATOM 0 HH TYR A 73 3.361 -12.416 1.833 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.771 -5.153 4.050 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.298 -3.793 4.142 1.00 0.00 C ATOM 1139 C ASN A 74 -1.329 -2.906 4.914 1.00 0.00 C ATOM 1140 O ASN A 74 -0.909 -3.244 6.021 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.670 -3.796 4.824 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.342 -2.433 4.811 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -5.358 -2.265 5.650 1.00 0.00 O flip ATOM 1144 ND2 ASN A 74 -3.955 -1.542 4.054 1.00 0.00 N flip ATOM 0 H ASN A 74 -1.768 -5.661 4.935 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.413 -3.395 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.316 -4.518 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.556 -4.129 5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.170 -1.712 3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.419 -0.634 4.056 1.00 0.00 H new ATOM 1151 N VAL A 75 -0.961 -1.779 4.310 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.020 -0.853 4.923 1.00 0.00 C ATOM 1153 C VAL A 75 -0.571 0.566 4.982 1.00 0.00 C ATOM 1154 O VAL A 75 -1.355 0.993 4.123 1.00 0.00 O ATOM 1155 CB VAL A 75 1.319 -0.836 4.149 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.202 0.332 4.565 1.00 0.00 C ATOM 1157 CG2 VAL A 75 2.060 -2.149 4.327 1.00 0.00 C ATOM 0 H VAL A 75 -1.303 -1.487 3.394 1.00 0.00 H new ATOM 0 HA VAL A 75 0.144 -1.206 5.941 1.00 0.00 H new ATOM 0 HB VAL A 75 1.079 -0.707 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.132 0.306 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.682 1.270 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.425 0.259 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.999 -2.115 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.268 -2.309 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.446 -2.967 3.950 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.108 1.290 5.993 1.00 0.00 N ATOM 1168 CA VAL A 76 -0.477 2.680 6.204 1.00 0.00 C ATOM 1169 C VAL A 76 0.740 3.550 5.938 1.00 0.00 C ATOM 1170 O VAL A 76 1.725 3.483 6.673 1.00 0.00 O ATOM 1171 CB VAL A 76 -0.980 2.937 7.644 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -1.502 4.360 7.789 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -2.053 1.930 8.035 1.00 0.00 C ATOM 0 H VAL A 76 0.538 0.925 6.693 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.292 2.923 5.522 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.135 2.812 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.850 4.518 8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.702 5.066 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.328 4.517 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.389 2.133 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.897 2.013 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.642 0.922 7.983 1.00 0.00 H new ATOM 1183 N VAL A 77 0.680 4.341 4.875 1.00 0.00 N ATOM 1184 CA VAL A 77 1.796 5.203 4.503 1.00 0.00 C ATOM 1185 C VAL A 77 1.402 6.670 4.526 1.00 0.00 C ATOM 1186 O VAL A 77 0.289 7.034 4.148 1.00 0.00 O ATOM 1187 CB VAL A 77 2.353 4.861 3.104 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.528 3.907 3.219 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.272 4.276 2.210 1.00 0.00 C ATOM 0 H VAL A 77 -0.128 4.404 4.255 1.00 0.00 H new ATOM 0 HA VAL A 77 2.573 5.024 5.247 1.00 0.00 H new ATOM 0 HB VAL A 77 2.701 5.786 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.908 3.677 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.317 4.371 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.204 2.987 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.694 4.045 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.881 3.364 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.464 4.999 2.095 1.00 0.00 H new ATOM 1199 N LEU A 78 2.333 7.505 4.967 1.00 0.00 N ATOM 1200 CA LEU A 78 2.112 8.937 5.041 1.00 0.00 C ATOM 1201 C LEU A 78 3.108 9.682 4.152 1.00 0.00 C ATOM 1202 O LEU A 78 4.316 9.467 4.242 1.00 0.00 O ATOM 1203 CB LEU A 78 2.236 9.411 6.486 1.00 0.00 C ATOM 1204 CG LEU A 78 2.346 10.926 6.656 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.226 11.638 5.908 1.00 0.00 C ATOM 1206 CD2 LEU A 78 2.325 11.299 8.128 1.00 0.00 C ATOM 0 H LEU A 78 3.257 7.208 5.281 1.00 0.00 H new ATOM 0 HA LEU A 78 1.105 9.152 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.369 9.059 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.114 8.945 6.933 1.00 0.00 H new ATOM 0 HG LEU A 78 3.297 11.248 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.325 12.715 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.288 11.399 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.262 11.310 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.404 12.381 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.391 10.960 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.165 10.824 8.636 1.00 0.00 H new ATOM 1218 N GLU A 79 2.587 10.557 3.297 1.00 0.00 N ATOM 1219 CA GLU A 79 3.417 11.338 2.385 1.00 0.00 C ATOM 1220 C GLU A 79 3.879 12.634 3.062 1.00 0.00 C ATOM 1221 O GLU A 79 3.053 13.441 3.495 1.00 0.00 O ATOM 1222 CB GLU A 79 2.623 11.631 1.101 1.00 0.00 C ATOM 1223 CG GLU A 79 3.063 12.886 0.362 1.00 0.00 C ATOM 1224 CD GLU A 79 3.068 12.716 -1.147 1.00 0.00 C ATOM 1225 OE1 GLU A 79 2.025 12.315 -1.709 1.00 0.00 O ATOM 1226 OE2 GLU A 79 4.117 12.987 -1.769 1.00 0.00 O ATOM 0 H GLU A 79 1.587 10.744 3.217 1.00 0.00 H new ATOM 0 HA GLU A 79 4.308 10.769 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.715 10.778 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.567 11.725 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.399 13.709 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.063 13.164 0.694 1.00 0.00 H new ATOM 1233 N LYS A 80 5.203 12.819 3.169 1.00 0.00 N ATOM 1234 CA LYS A 80 5.760 14.011 3.814 1.00 0.00 C ATOM 1235 C LYS A 80 6.496 14.912 2.831 1.00 0.00 C ATOM 1236 O LYS A 80 7.352 14.458 2.069 1.00 0.00 O ATOM 1237 CB LYS A 80 6.717 13.623 4.945 1.00 0.00 C ATOM 1238 CG LYS A 80 6.440 14.350 6.251 1.00 0.00 C ATOM 1239 CD LYS A 80 5.090 13.961 6.834 1.00 0.00 C ATOM 1240 CE LYS A 80 5.213 12.786 7.789 1.00 0.00 C ATOM 1241 NZ LYS A 80 5.487 11.509 7.072 1.00 0.00 N ATOM 0 H LYS A 80 5.901 12.163 2.819 1.00 0.00 H new ATOM 0 HA LYS A 80 4.912 14.564 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.649 12.549 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.740 13.832 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.227 14.121 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.467 15.426 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.660 14.814 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.404 13.705 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.015 12.981 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.292 12.688 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.008 10.726 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.132 11.576 6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.512 11.333 7.056 1.00 0.00 H new ATOM 1255 N ALA A 81 6.174 16.203 2.883 1.00 0.00 N ATOM 1256 CA ALA A 81 6.817 17.193 2.028 1.00 0.00 C ATOM 1257 C ALA A 81 8.010 17.819 2.748 1.00 0.00 C ATOM 1258 O ALA A 81 9.028 18.120 2.126 1.00 0.00 O ATOM 1259 CB ALA A 81 5.823 18.264 1.607 1.00 0.00 C ATOM 0 H ALA A 81 5.468 16.587 3.512 1.00 0.00 H new ATOM 0 HA ALA A 81 7.178 16.693 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.322 18.993 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.002 17.803 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.431 18.764 2.492 1.00 0.00 H new ATOM 1265 N SER A 82 7.882 17.991 4.070 1.00 0.00 N ATOM 1266 CA SER A 82 8.957 18.562 4.883 1.00 0.00 C ATOM 1267 C SER A 82 10.206 17.689 4.809 1.00 0.00 C ATOM 1268 O SER A 82 11.319 18.198 4.674 1.00 0.00 O ATOM 1269 CB SER A 82 8.511 18.714 6.340 1.00 0.00 C ATOM 1270 OG SER A 82 7.790 19.918 6.530 1.00 0.00 O ATOM 0 H SER A 82 7.044 17.742 4.596 1.00 0.00 H new ATOM 0 HA SER A 82 9.194 19.549 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.889 17.865 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.383 18.702 6.994 1.00 0.00 H new ATOM 0 HG SER A 82 7.515 19.990 7.468 1.00 0.00 H new ATOM 1276 N ASP A 83 10.012 16.368 4.877 1.00 0.00 N ATOM 1277 CA ASP A 83 11.125 15.429 4.796 1.00 0.00 C ATOM 1278 C ASP A 83 11.519 15.171 3.337 1.00 0.00 C ATOM 1279 O ASP A 83 12.551 14.555 3.070 1.00 0.00 O ATOM 1280 CB ASP A 83 10.765 14.110 5.487 1.00 0.00 C ATOM 1281 CG ASP A 83 11.569 13.882 6.754 1.00 0.00 C ATOM 1282 OD1 ASP A 83 12.793 13.655 6.648 1.00 0.00 O ATOM 1283 OD2 ASP A 83 10.975 13.930 7.851 1.00 0.00 O ATOM 0 H ASP A 83 9.097 15.931 4.987 1.00 0.00 H new ATOM 0 HA ASP A 83 11.978 15.873 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.702 14.108 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.936 13.283 4.798 1.00 0.00 H new ATOM 1288 N ASN A 84 10.690 15.651 2.397 1.00 0.00 N ATOM 1289 CA ASN A 84 10.946 15.482 0.967 1.00 0.00 C ATOM 1290 C ASN A 84 10.983 14.003 0.584 1.00 0.00 C ATOM 1291 O ASN A 84 11.837 13.577 -0.196 1.00 0.00 O ATOM 1292 CB ASN A 84 12.258 16.170 0.573 1.00 0.00 C ATOM 1293 CG ASN A 84 12.264 17.646 0.921 1.00 0.00 C ATOM 1294 OD1 ASN A 84 11.692 18.466 0.203 1.00 0.00 O ATOM 1295 ND2 ASN A 84 12.908 17.993 2.030 1.00 0.00 N ATOM 0 H ASN A 84 9.833 16.162 2.609 1.00 0.00 H new ATOM 0 HA ASN A 84 10.127 15.951 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.089 15.677 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.420 16.051 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.942 18.972 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.369 17.281 2.596 1.00 0.00 H new ATOM 1302 N SER A 85 10.050 13.222 1.135 1.00 0.00 N ATOM 1303 CA SER A 85 9.980 11.796 0.848 1.00 0.00 C ATOM 1304 C SER A 85 8.724 11.169 1.451 1.00 0.00 C ATOM 1305 O SER A 85 7.932 11.836 2.120 1.00 0.00 O ATOM 1306 CB SER A 85 11.227 11.084 1.384 1.00 0.00 C ATOM 1307 OG SER A 85 11.478 9.886 0.669 1.00 0.00 O ATOM 0 H SER A 85 9.336 13.557 1.781 1.00 0.00 H new ATOM 0 HA SER A 85 9.935 11.676 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.090 11.746 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.094 10.859 2.442 1.00 0.00 H new ATOM 0 HG SER A 85 12.279 9.452 1.029 1.00 0.00 H new ATOM 1313 N LEU A 86 8.567 9.873 1.217 1.00 0.00 N ATOM 1314 CA LEU A 86 7.427 9.120 1.734 1.00 0.00 C ATOM 1315 C LEU A 86 7.725 8.620 3.146 1.00 0.00 C ATOM 1316 O LEU A 86 8.870 8.671 3.598 1.00 0.00 O ATOM 1317 CB LEU A 86 7.098 7.919 0.829 1.00 0.00 C ATOM 1318 CG LEU A 86 7.130 8.164 -0.686 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.402 9.453 -1.040 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.560 8.189 -1.206 1.00 0.00 C ATOM 0 H LEU A 86 9.220 9.315 0.667 1.00 0.00 H new ATOM 0 HA LEU A 86 6.567 9.789 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.801 7.118 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.105 7.557 1.093 1.00 0.00 H new ATOM 0 HG LEU A 86 6.612 7.337 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.437 9.606 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.363 9.385 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.883 10.292 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.553 8.364 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.113 8.988 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.040 7.233 -0.997 1.00 0.00 H new ATOM 1332 N LYS A 87 6.697 8.134 3.842 1.00 0.00 N ATOM 1333 CA LYS A 87 6.875 7.622 5.196 1.00 0.00 C ATOM 1334 C LYS A 87 5.931 6.457 5.469 1.00 0.00 C ATOM 1335 O LYS A 87 4.779 6.462 5.039 1.00 0.00 O ATOM 1336 CB LYS A 87 6.664 8.737 6.221 1.00 0.00 C ATOM 1337 CG LYS A 87 6.591 8.248 7.661 1.00 0.00 C ATOM 1338 CD LYS A 87 7.405 9.131 8.595 1.00 0.00 C ATOM 1339 CE LYS A 87 6.520 9.836 9.611 1.00 0.00 C ATOM 1340 NZ LYS A 87 7.163 9.918 10.950 1.00 0.00 N ATOM 0 H LYS A 87 5.740 8.085 3.492 1.00 0.00 H new ATOM 0 HA LYS A 87 7.897 7.255 5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.478 9.456 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.743 9.268 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.551 8.233 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.958 7.223 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.146 8.525 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.952 9.872 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.291 10.841 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.572 9.305 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.526 10.406 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.358 8.959 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.055 10.447 10.875 1.00 0.00 H new ATOM 1354 N LEU A 88 6.436 5.459 6.187 1.00 0.00 N ATOM 1355 CA LEU A 88 5.656 4.277 6.527 1.00 0.00 C ATOM 1356 C LEU A 88 5.124 4.378 7.956 1.00 0.00 C ATOM 1357 O LEU A 88 5.893 4.528 8.906 1.00 0.00 O ATOM 1358 CB LEU A 88 6.524 3.026 6.368 1.00 0.00 C ATOM 1359 CG LEU A 88 5.786 1.702 6.142 1.00 0.00 C ATOM 1360 CD1 LEU A 88 6.566 0.559 6.769 1.00 0.00 C ATOM 1361 CD2 LEU A 88 4.371 1.748 6.700 1.00 0.00 C ATOM 0 H LEU A 88 7.390 5.447 6.547 1.00 0.00 H new ATOM 0 HA LEU A 88 4.803 4.209 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.201 3.186 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.141 2.924 7.261 1.00 0.00 H new ATOM 0 HG LEU A 88 5.710 1.538 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.034 -0.378 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.555 0.500 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.669 0.733 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.878 0.792 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.409 1.942 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.811 2.543 6.207 1.00 0.00 H new ATOM 1373 N VAL A 89 3.802 4.295 8.096 1.00 0.00 N ATOM 1374 CA VAL A 89 3.155 4.374 9.404 1.00 0.00 C ATOM 1375 C VAL A 89 3.087 2.994 10.065 1.00 0.00 C ATOM 1376 O VAL A 89 3.517 2.830 11.208 1.00 0.00 O ATOM 1377 CB VAL A 89 1.725 4.960 9.305 1.00 0.00 C ATOM 1378 CG1 VAL A 89 1.280 5.519 10.649 1.00 0.00 C ATOM 1379 CG2 VAL A 89 1.639 6.033 8.223 1.00 0.00 C ATOM 0 H VAL A 89 3.156 4.173 7.316 1.00 0.00 H new ATOM 0 HA VAL A 89 3.763 5.042 10.015 1.00 0.00 H new ATOM 0 HB VAL A 89 1.052 4.149 9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.273 5.926 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.284 4.723 11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.964 6.309 10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.623 6.424 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.330 6.843 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.903 5.599 7.259 1.00 0.00 H new ATOM 1389 N ALA A 90 2.546 2.004 9.343 1.00 0.00 N ATOM 1390 CA ALA A 90 2.427 0.643 9.877 1.00 0.00 C ATOM 1391 C ALA A 90 2.310 -0.407 8.765 1.00 0.00 C ATOM 1392 O ALA A 90 1.870 -0.104 7.657 1.00 0.00 O ATOM 1393 CB ALA A 90 1.229 0.552 10.809 1.00 0.00 C ATOM 0 H ALA A 90 2.187 2.119 8.395 1.00 0.00 H new ATOM 0 HA ALA A 90 3.340 0.429 10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.149 -0.462 11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.357 1.251 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.321 0.802 10.260 1.00 0.00 H new ATOM 1399 N PHE A 91 2.696 -1.648 9.085 1.00 0.00 N ATOM 1400 CA PHE A 91 2.629 -2.763 8.133 1.00 0.00 C ATOM 1401 C PHE A 91 1.794 -3.906 8.723 1.00 0.00 C ATOM 1402 O PHE A 91 2.059 -4.366 9.833 1.00 0.00 O ATOM 1403 CB PHE A 91 4.050 -3.236 7.772 1.00 0.00 C ATOM 1404 CG PHE A 91 4.111 -4.252 6.660 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.489 -5.484 6.784 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.802 -3.973 5.490 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.554 -6.414 5.765 1.00 0.00 C ATOM 1408 CE2 PHE A 91 4.871 -4.900 4.469 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.245 -6.122 4.607 1.00 0.00 C ATOM 0 H PHE A 91 3.060 -1.906 10.002 1.00 0.00 H new ATOM 0 HA PHE A 91 2.143 -2.427 7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.646 -2.369 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.513 -3.662 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.947 -5.720 7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.293 -3.018 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.064 -7.370 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.414 -4.669 3.564 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.296 -6.849 3.810 1.00 0.00 H new ATOM 1419 N VAL A 92 0.763 -4.335 7.986 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.135 -5.399 8.454 1.00 0.00 C ATOM 1421 C VAL A 92 -0.377 -6.463 7.375 1.00 0.00 C ATOM 1422 O VAL A 92 -0.471 -6.142 6.193 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.497 -4.810 8.887 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.265 -5.793 9.756 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.303 -3.489 9.618 1.00 0.00 C ATOM 0 H VAL A 92 0.529 -3.963 7.065 1.00 0.00 H new ATOM 0 HA VAL A 92 0.355 -5.872 9.305 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.084 -4.624 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.219 -5.353 10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.444 -6.711 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.683 -6.020 10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.274 -3.091 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.691 -3.651 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.805 -2.778 8.959 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.494 -7.748 7.771 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.737 -8.850 6.835 1.00 0.00 C ATOM 1437 C PRO A 93 -2.222 -9.035 6.514 1.00 0.00 C ATOM 1438 O PRO A 93 -3.071 -8.946 7.402 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.210 -10.054 7.605 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.513 -9.738 9.028 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.406 -8.237 9.163 1.00 0.00 C ATOM 0 HA PRO A 93 -0.262 -8.685 5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.700 -10.975 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.860 -10.191 7.446 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.511 -10.082 9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.188 -10.239 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.209 -7.833 9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.534 -7.944 9.631 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.528 -9.299 5.243 1.00 0.00 N ATOM 1450 CA LEU A 94 -3.910 -9.506 4.812 1.00 0.00 C ATOM 1451 C LEU A 94 -4.129 -10.951 4.352 1.00 0.00 C ATOM 1452 O LEU A 94 -4.682 -11.197 3.277 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.280 -8.529 3.684 1.00 0.00 C ATOM 1454 CG LEU A 94 -4.943 -7.221 4.133 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.455 -7.382 4.191 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -4.403 -6.771 5.484 1.00 0.00 C ATOM 0 H LEU A 94 -1.838 -9.374 4.495 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.559 -9.314 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.375 -8.285 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.952 -9.038 2.993 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.703 -6.452 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.909 -6.444 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.831 -7.648 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.710 -8.169 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.890 -5.841 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.605 -7.539 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.327 -6.610 5.411 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.688 -11.908 5.172 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.834 -13.328 4.845 1.00 0.00 C ATOM 1470 C PHE A 95 -4.006 -14.185 6.102 1.00 0.00 C ATOM 1471 O PHE A 95 -3.576 -13.746 7.190 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.624 -13.811 4.037 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.315 -13.691 4.769 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.678 -12.466 4.879 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -0.726 -14.803 5.348 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.522 -12.353 5.553 1.00 0.00 C ATOM 1477 CE2 PHE A 95 0.474 -14.695 6.022 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.099 -13.468 6.124 1.00 0.00 C ATOM 1479 OXT PHE A 95 -4.571 -15.292 5.984 1.00 0.00 O ATOM 0 H PHE A 95 -3.228 -11.726 6.064 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.737 -13.438 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.779 -14.853 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.565 -13.238 3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.125 -11.590 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.211 -15.765 5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.008 -11.392 5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.923 -15.569 6.469 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.038 -13.382 6.650 1.00 0.00 H new