USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 847 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 Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 6:sc= -3.16! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.19! C(o=-7.2!,f=-6.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 24:sc= 0.492 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.7) USER MOD Single : A 62 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.3!) USER MOD Single : A 68 SER OG : rot -67:sc= -4.9! USER MOD Single : A 69 TYR OH : rot 90:sc= -0.0487 USER MOD Single : A 79 ASN : amide:sc= -9.56! C(o=-9.6!,f=-13!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -170:sc= -0.0775 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0.00534 (180deg=0.00398) USER MOD Single : A 95 THR OG1 : rot 133:sc= -2.8! USER MOD Single : A 97 TYR OH : rot 77:sc= 0.323 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.9!) USER MOD Single : A 104 THR OG1 : rot 150:sc= 0.656 USER MOD Single : A 105 LYS NZ :NH3+ -134:sc= -3.53! (180deg=-4.17!) USER MOD Single : A 110 SER OG : rot 60:sc= -3.15! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 4.617 14.284 5.479 1.00 0.00 N ATOM 109 CA ARG A 8 5.158 13.280 4.520 1.00 0.00 C ATOM 110 C ARG A 8 4.901 11.861 5.029 1.00 0.00 C ATOM 111 O ARG A 8 5.398 11.460 6.063 1.00 0.00 O ATOM 112 CB ARG A 8 6.658 13.569 4.455 1.00 0.00 C ATOM 113 CG ARG A 8 6.876 15.065 4.223 1.00 0.00 C ATOM 114 CD ARG A 8 5.960 15.541 3.093 1.00 0.00 C ATOM 115 NE ARG A 8 6.757 16.553 2.350 1.00 0.00 N ATOM 116 CZ ARG A 8 6.619 16.668 1.059 1.00 0.00 C ATOM 117 NH1 ARG A 8 5.587 17.299 0.568 1.00 0.00 N ATOM 118 NH2 ARG A 8 7.508 16.145 0.259 1.00 0.00 N ATOM 0 HA ARG A 8 4.686 13.348 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.140 13.259 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.116 12.994 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.665 15.621 5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.918 15.257 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.670 14.714 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.041 15.974 3.487 1.00 0.00 H new ATOM 0 HE ARG A 8 7.410 17.156 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.890 17.701 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.478 17.390 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.310 15.647 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.400 16.235 -0.751 1.00 0.00 H new ATOM 132 N LEU A 9 4.130 11.099 4.304 1.00 0.00 N ATOM 133 CA LEU A 9 3.838 9.709 4.731 1.00 0.00 C ATOM 134 C LEU A 9 4.636 8.729 3.869 1.00 0.00 C ATOM 135 O LEU A 9 5.238 9.111 2.885 1.00 0.00 O ATOM 136 CB LEU A 9 2.335 9.530 4.514 1.00 0.00 C ATOM 137 CG LEU A 9 1.576 10.100 5.713 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.097 10.262 5.356 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.710 9.149 6.904 1.00 0.00 C ATOM 0 H LEU A 9 3.689 11.384 3.430 1.00 0.00 H new ATOM 0 HA LEU A 9 4.114 9.521 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.026 10.037 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.098 8.473 4.389 1.00 0.00 H new ATOM 0 HG LEU A 9 1.995 11.072 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.442 10.668 6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.001 10.942 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.322 9.291 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.169 9.557 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.294 8.176 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.763 9.036 7.163 1.00 0.00 H new ATOM 151 N ARG A 10 4.654 7.472 4.220 1.00 0.00 N ATOM 152 CA ARG A 10 5.424 6.495 3.399 1.00 0.00 C ATOM 153 C ARG A 10 4.500 5.401 2.860 1.00 0.00 C ATOM 154 O ARG A 10 3.983 4.584 3.597 1.00 0.00 O ATOM 155 CB ARG A 10 6.459 5.891 4.343 1.00 0.00 C ATOM 156 CG ARG A 10 7.866 6.261 3.868 1.00 0.00 C ATOM 157 CD ARG A 10 8.124 7.743 4.143 1.00 0.00 C ATOM 158 NE ARG A 10 9.124 7.758 5.246 1.00 0.00 N ATOM 159 CZ ARG A 10 10.376 7.490 4.995 1.00 0.00 C ATOM 160 NH1 ARG A 10 11.050 8.244 4.170 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.951 6.468 5.569 1.00 0.00 N ATOM 0 H ARG A 10 4.174 7.082 5.031 1.00 0.00 H new ATOM 0 HA ARG A 10 5.890 6.975 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.299 6.257 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.348 4.807 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.608 5.650 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.968 6.055 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.506 8.249 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.207 8.257 4.433 1.00 0.00 H new ATOM 0 HE ARG A 10 8.830 7.978 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.598 9.041 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.029 8.036 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.421 5.880 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.930 6.257 5.374 1.00 0.00 H new ATOM 175 N VAL A 11 4.302 5.376 1.575 1.00 0.00 N ATOM 176 CA VAL A 11 3.420 4.336 0.969 1.00 0.00 C ATOM 177 C VAL A 11 4.250 3.102 0.620 1.00 0.00 C ATOM 178 O VAL A 11 4.805 2.998 -0.458 1.00 0.00 O ATOM 179 CB VAL A 11 2.850 4.973 -0.302 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.564 4.249 -0.702 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.539 6.451 -0.050 1.00 0.00 C ATOM 0 H VAL A 11 4.714 6.033 0.912 1.00 0.00 H new ATOM 0 HA VAL A 11 2.628 4.019 1.647 1.00 0.00 H new ATOM 0 HB VAL A 11 3.585 4.890 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.158 4.702 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.782 3.197 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.835 4.331 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.134 6.898 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.808 6.537 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.453 6.972 0.234 1.00 0.00 H new ATOM 191 N LEU A 12 4.342 2.160 1.516 1.00 0.00 N ATOM 192 CA LEU A 12 5.140 0.940 1.217 1.00 0.00 C ATOM 193 C LEU A 12 4.395 0.118 0.170 1.00 0.00 C ATOM 194 O LEU A 12 3.462 -0.595 0.483 1.00 0.00 O ATOM 195 CB LEU A 12 5.234 0.171 2.539 1.00 0.00 C ATOM 196 CG LEU A 12 6.179 0.887 3.518 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.571 1.017 2.901 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.641 2.282 3.845 1.00 0.00 C ATOM 0 H LEU A 12 3.902 2.181 2.436 1.00 0.00 H new ATOM 0 HA LEU A 12 6.133 1.168 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.243 0.080 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.594 -0.841 2.352 1.00 0.00 H new ATOM 0 HG LEU A 12 6.240 0.299 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.233 1.525 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.966 0.025 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.508 1.594 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.318 2.780 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.566 2.867 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.655 2.194 4.301 1.00 0.00 H new ATOM 210 N VAL A 13 4.776 0.217 -1.074 1.00 0.00 N ATOM 211 CA VAL A 13 4.048 -0.558 -2.113 1.00 0.00 C ATOM 212 C VAL A 13 5.003 -1.485 -2.867 1.00 0.00 C ATOM 213 O VAL A 13 5.919 -1.046 -3.529 1.00 0.00 O ATOM 214 CB VAL A 13 3.436 0.488 -3.053 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.238 -0.121 -3.781 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.963 1.701 -2.247 1.00 0.00 C ATOM 0 H VAL A 13 5.548 0.792 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 13 3.281 -1.198 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 13 4.191 0.802 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.802 0.622 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.565 -0.984 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.491 -0.436 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.530 2.439 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.212 1.386 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.810 2.142 -1.722 1.00 0.00 H new ATOM 226 N VAL A 14 4.799 -2.772 -2.763 1.00 0.00 N ATOM 227 CA VAL A 14 5.709 -3.721 -3.464 1.00 0.00 C ATOM 228 C VAL A 14 4.921 -4.809 -4.215 1.00 0.00 C ATOM 229 O VAL A 14 3.865 -5.245 -3.786 1.00 0.00 O ATOM 230 CB VAL A 14 6.548 -4.338 -2.348 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.504 -3.291 -1.774 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.636 -4.858 -1.241 1.00 0.00 C ATOM 0 H VAL A 14 4.047 -3.204 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 14 6.315 -3.220 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 14 7.126 -5.166 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.099 -3.739 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.165 -2.931 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.930 -2.456 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.241 -5.297 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.049 -4.034 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.966 -5.615 -1.648 1.00 0.00 H new ATOM 242 N GLU A 15 5.443 -5.255 -5.334 1.00 0.00 N ATOM 243 CA GLU A 15 4.751 -6.324 -6.131 1.00 0.00 C ATOM 244 C GLU A 15 5.728 -6.969 -7.117 1.00 0.00 C ATOM 245 O GLU A 15 6.088 -8.123 -6.995 1.00 0.00 O ATOM 246 CB GLU A 15 3.649 -5.622 -6.929 1.00 0.00 C ATOM 247 CG GLU A 15 2.629 -4.976 -5.995 1.00 0.00 C ATOM 248 CD GLU A 15 1.457 -4.437 -6.816 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.881 -5.207 -7.566 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.155 -3.263 -6.680 1.00 0.00 O ATOM 0 H GLU A 15 6.322 -4.924 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 15 4.358 -7.100 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.089 -4.862 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.150 -6.341 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.273 -5.705 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.096 -4.167 -5.433 1.00 0.00 H new ATOM 257 N ASP A 16 6.144 -6.221 -8.105 1.00 0.00 N ATOM 258 CA ASP A 16 7.079 -6.755 -9.119 1.00 0.00 C ATOM 259 C ASP A 16 8.025 -5.647 -9.583 1.00 0.00 C ATOM 260 O ASP A 16 7.619 -4.680 -10.194 1.00 0.00 O ATOM 261 CB ASP A 16 6.195 -7.233 -10.269 1.00 0.00 C ATOM 262 CG ASP A 16 6.848 -8.441 -10.943 1.00 0.00 C ATOM 263 OD1 ASP A 16 7.032 -9.442 -10.269 1.00 0.00 O ATOM 264 OD2 ASP A 16 7.155 -8.345 -12.119 1.00 0.00 O ATOM 0 H ASP A 16 5.867 -5.250 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 16 7.699 -7.563 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.207 -7.501 -9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.055 -6.430 -10.993 1.00 0.00 H new ATOM 269 N GLU A 17 9.274 -5.803 -9.264 1.00 0.00 N ATOM 270 CA GLU A 17 10.336 -4.808 -9.625 1.00 0.00 C ATOM 271 C GLU A 17 9.949 -3.859 -10.765 1.00 0.00 C ATOM 272 O GLU A 17 10.257 -2.685 -10.719 1.00 0.00 O ATOM 273 CB GLU A 17 11.526 -5.664 -10.051 1.00 0.00 C ATOM 274 CG GLU A 17 12.776 -4.788 -10.136 1.00 0.00 C ATOM 275 CD GLU A 17 13.563 -5.136 -11.401 1.00 0.00 C ATOM 276 OE1 GLU A 17 13.232 -6.128 -12.029 1.00 0.00 O ATOM 277 OE2 GLU A 17 14.485 -4.403 -11.720 1.00 0.00 O ATOM 0 H GLU A 17 9.624 -6.610 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 17 10.532 -4.152 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.682 -6.471 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.327 -6.128 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.494 -3.735 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.399 -4.940 -9.255 1.00 0.00 H new ATOM 284 N SER A 18 9.327 -4.335 -11.803 1.00 0.00 N ATOM 285 CA SER A 18 9.006 -3.409 -12.925 1.00 0.00 C ATOM 286 C SER A 18 7.557 -2.898 -12.884 1.00 0.00 C ATOM 287 O SER A 18 7.281 -1.792 -13.304 1.00 0.00 O ATOM 288 CB SER A 18 9.237 -4.236 -14.186 1.00 0.00 C ATOM 289 OG SER A 18 10.523 -3.940 -14.713 1.00 0.00 O ATOM 0 H SER A 18 9.031 -5.303 -11.925 1.00 0.00 H new ATOM 0 HA SER A 18 9.626 -2.514 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.161 -5.299 -13.957 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.468 -4.014 -14.926 1.00 0.00 H new ATOM 0 HG SER A 18 10.675 -4.471 -15.522 1.00 0.00 H new ATOM 295 N MET A 19 6.627 -3.681 -12.417 1.00 0.00 N ATOM 296 CA MET A 19 5.208 -3.205 -12.403 1.00 0.00 C ATOM 297 C MET A 19 4.972 -2.185 -11.285 1.00 0.00 C ATOM 298 O MET A 19 4.431 -1.125 -11.512 1.00 0.00 O ATOM 299 CB MET A 19 4.370 -4.465 -12.172 1.00 0.00 C ATOM 300 CG MET A 19 3.046 -4.346 -12.930 1.00 0.00 C ATOM 301 SD MET A 19 2.946 -5.651 -14.181 1.00 0.00 S ATOM 302 CE MET A 19 1.320 -5.207 -14.841 1.00 0.00 C ATOM 0 H MET A 19 6.780 -4.619 -12.048 1.00 0.00 H new ATOM 0 HA MET A 19 4.945 -2.699 -13.332 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.917 -5.345 -12.511 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.180 -4.598 -11.107 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.209 -4.428 -12.236 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.973 -3.367 -13.404 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.052 -5.896 -15.642 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.576 -5.267 -14.047 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.351 -4.190 -15.232 1.00 0.00 H new ATOM 312 N ILE A 20 5.359 -2.503 -10.086 1.00 0.00 N ATOM 313 CA ILE A 20 5.147 -1.563 -8.941 1.00 0.00 C ATOM 314 C ILE A 20 6.150 -0.416 -8.982 1.00 0.00 C ATOM 315 O ILE A 20 6.078 0.520 -8.211 1.00 0.00 O ATOM 316 CB ILE A 20 5.399 -2.434 -7.726 1.00 0.00 C ATOM 317 CG1 ILE A 20 5.219 -1.634 -6.436 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.816 -2.979 -7.779 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.889 -2.013 -5.781 1.00 0.00 C ATOM 0 H ILE A 20 5.818 -3.380 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 20 4.159 -1.103 -8.951 1.00 0.00 H new ATOM 0 HB ILE A 20 4.680 -3.253 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.044 -1.836 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.239 -0.566 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.998 -3.605 -6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.944 -3.573 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.524 -2.151 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.761 -1.442 -4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.070 -1.789 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.888 -3.078 -5.550 1.00 0.00 H new ATOM 331 N ALA A 21 7.089 -0.487 -9.868 1.00 0.00 N ATOM 332 CA ALA A 21 8.108 0.586 -9.960 1.00 0.00 C ATOM 333 C ALA A 21 7.448 1.922 -10.299 1.00 0.00 C ATOM 334 O ALA A 21 7.037 2.661 -9.428 1.00 0.00 O ATOM 335 CB ALA A 21 9.012 0.119 -11.086 1.00 0.00 C ATOM 0 H ALA A 21 7.198 -1.247 -10.539 1.00 0.00 H new ATOM 0 HA ALA A 21 8.649 0.749 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.808 0.847 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.448 -0.846 -10.826 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.430 0.020 -12.002 1.00 0.00 H new ATOM 341 N MET A 22 7.330 2.237 -11.557 1.00 0.00 N ATOM 342 CA MET A 22 6.681 3.521 -11.931 1.00 0.00 C ATOM 343 C MET A 22 5.359 3.653 -11.172 1.00 0.00 C ATOM 344 O MET A 22 4.849 4.735 -10.962 1.00 0.00 O ATOM 345 CB MET A 22 6.447 3.415 -13.440 1.00 0.00 C ATOM 346 CG MET A 22 5.353 2.383 -13.729 1.00 0.00 C ATOM 347 SD MET A 22 6.021 1.067 -14.777 1.00 0.00 S ATOM 348 CE MET A 22 5.993 1.981 -16.337 1.00 0.00 C ATOM 0 H MET A 22 7.653 1.665 -12.337 1.00 0.00 H new ATOM 0 HA MET A 22 7.281 4.397 -11.685 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.157 4.386 -13.841 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.372 3.127 -13.940 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.979 1.963 -12.795 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.508 2.862 -14.224 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.372 1.346 -17.138 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.970 2.281 -16.565 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.620 2.868 -16.250 1.00 0.00 H new ATOM 358 N LEU A 23 4.806 2.544 -10.765 1.00 0.00 N ATOM 359 CA LEU A 23 3.516 2.557 -10.021 1.00 0.00 C ATOM 360 C LEU A 23 3.623 3.365 -8.725 1.00 0.00 C ATOM 361 O LEU A 23 2.628 3.792 -8.173 1.00 0.00 O ATOM 362 CB LEU A 23 3.268 1.089 -9.697 1.00 0.00 C ATOM 363 CG LEU A 23 1.774 0.785 -9.775 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.546 -0.699 -9.479 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.025 1.638 -8.748 1.00 0.00 C ATOM 0 H LEU A 23 5.200 1.616 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 23 2.715 3.017 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.814 0.456 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.643 0.859 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 23 1.403 1.018 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.480 -0.921 -9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.081 -1.303 -10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.915 -0.932 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.042 1.421 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.391 1.407 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.192 2.694 -8.961 1.00 0.00 H new ATOM 377 N ILE A 24 4.810 3.566 -8.219 1.00 0.00 N ATOM 378 CA ILE A 24 4.940 4.334 -6.946 1.00 0.00 C ATOM 379 C ILE A 24 5.541 5.717 -7.200 1.00 0.00 C ATOM 380 O ILE A 24 5.058 6.711 -6.696 1.00 0.00 O ATOM 381 CB ILE A 24 5.861 3.495 -6.056 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.712 3.949 -4.603 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.320 3.668 -6.486 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.261 2.863 -3.678 1.00 0.00 C ATOM 0 H ILE A 24 5.686 3.237 -8.625 1.00 0.00 H new ATOM 0 HA ILE A 24 3.970 4.503 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 24 5.583 2.446 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.249 4.884 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.664 4.141 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.962 3.065 -5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.435 3.345 -7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.603 4.717 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.157 3.182 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.704 1.939 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.314 2.693 -3.902 1.00 0.00 H new ATOM 396 N GLU A 25 6.588 5.795 -7.972 1.00 0.00 N ATOM 397 CA GLU A 25 7.206 7.122 -8.239 1.00 0.00 C ATOM 398 C GLU A 25 6.182 8.048 -8.897 1.00 0.00 C ATOM 399 O GLU A 25 6.248 9.257 -8.774 1.00 0.00 O ATOM 400 CB GLU A 25 8.373 6.832 -9.180 1.00 0.00 C ATOM 401 CG GLU A 25 9.413 5.979 -8.448 1.00 0.00 C ATOM 402 CD GLU A 25 10.752 6.718 -8.420 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.733 7.934 -8.329 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.775 6.055 -8.490 1.00 0.00 O ATOM 0 H GLU A 25 7.040 5.002 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 25 7.542 7.621 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.018 6.310 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.824 7.765 -9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.079 5.772 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.527 5.017 -8.948 1.00 0.00 H new ATOM 411 N ASP A 26 5.226 7.490 -9.583 1.00 0.00 N ATOM 412 CA ASP A 26 4.191 8.334 -10.238 1.00 0.00 C ATOM 413 C ASP A 26 3.076 8.652 -9.236 1.00 0.00 C ATOM 414 O ASP A 26 2.648 9.781 -9.106 1.00 0.00 O ATOM 415 CB ASP A 26 3.672 7.488 -11.409 1.00 0.00 C ATOM 416 CG ASP A 26 2.609 6.501 -10.918 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.908 5.742 -10.011 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.516 6.521 -11.458 1.00 0.00 O ATOM 0 H ASP A 26 5.117 6.485 -9.719 1.00 0.00 H new ATOM 0 HA ASP A 26 4.580 9.291 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.250 8.137 -12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.498 6.945 -11.869 1.00 0.00 H new ATOM 423 N THR A 27 2.612 7.664 -8.517 1.00 0.00 N ATOM 424 CA THR A 27 1.536 7.913 -7.517 1.00 0.00 C ATOM 425 C THR A 27 1.986 9.004 -6.546 1.00 0.00 C ATOM 426 O THR A 27 1.280 9.960 -6.292 1.00 0.00 O ATOM 427 CB THR A 27 1.357 6.583 -6.782 1.00 0.00 C ATOM 428 OG1 THR A 27 2.632 6.017 -6.521 1.00 0.00 O ATOM 429 CG2 THR A 27 0.535 5.623 -7.643 1.00 0.00 C ATOM 0 H THR A 27 2.932 6.697 -8.580 1.00 0.00 H new ATOM 0 HA THR A 27 0.606 8.246 -7.977 1.00 0.00 H new ATOM 0 HB THR A 27 0.834 6.755 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.331 6.649 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.410 4.677 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.444 6.060 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.052 5.447 -8.586 1.00 0.00 H new ATOM 437 N LEU A 28 3.165 8.865 -6.006 1.00 0.00 N ATOM 438 CA LEU A 28 3.680 9.889 -5.054 1.00 0.00 C ATOM 439 C LEU A 28 3.769 11.246 -5.756 1.00 0.00 C ATOM 440 O LEU A 28 3.440 12.271 -5.193 1.00 0.00 O ATOM 441 CB LEU A 28 5.070 9.383 -4.647 1.00 0.00 C ATOM 442 CG LEU A 28 5.942 10.542 -4.141 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.516 11.314 -5.330 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.107 11.490 -3.275 1.00 0.00 C ATOM 0 H LEU A 28 3.796 8.084 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 28 3.035 10.025 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.974 8.627 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.552 8.904 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 28 6.757 10.134 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.134 12.135 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.124 10.645 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.700 11.713 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.735 12.308 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.284 11.893 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.707 10.945 -2.420 1.00 0.00 H new ATOM 456 N CYS A 29 4.210 11.256 -6.984 1.00 0.00 N ATOM 457 CA CYS A 29 4.318 12.543 -7.727 1.00 0.00 C ATOM 458 C CYS A 29 3.020 13.343 -7.582 1.00 0.00 C ATOM 459 O CYS A 29 3.024 14.559 -7.572 1.00 0.00 O ATOM 460 CB CYS A 29 4.535 12.138 -9.183 1.00 0.00 C ATOM 461 SG CYS A 29 5.336 13.496 -10.072 1.00 0.00 S ATOM 0 H CYS A 29 4.500 10.428 -7.505 1.00 0.00 H new ATOM 0 HA CYS A 29 5.125 13.173 -7.353 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.152 11.241 -9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.581 11.895 -9.651 1.00 0.00 H new ATOM 0 HG CYS A 29 5.524 13.152 -11.312 1.00 0.00 H new ATOM 467 N GLU A 30 1.907 12.667 -7.476 1.00 0.00 N ATOM 468 CA GLU A 30 0.610 13.377 -7.339 1.00 0.00 C ATOM 469 C GLU A 30 0.205 13.486 -5.866 1.00 0.00 C ATOM 470 O GLU A 30 -0.620 14.299 -5.501 1.00 0.00 O ATOM 471 CB GLU A 30 -0.396 12.517 -8.105 1.00 0.00 C ATOM 472 CG GLU A 30 -1.397 13.422 -8.826 1.00 0.00 C ATOM 473 CD GLU A 30 -2.716 13.444 -8.051 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.813 12.730 -7.067 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.606 14.173 -8.456 1.00 0.00 O ATOM 0 H GLU A 30 1.844 11.649 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 30 0.661 14.395 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.124 11.885 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.920 11.852 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.995 14.432 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.565 13.060 -9.840 1.00 0.00 H new ATOM 482 N LEU A 31 0.767 12.672 -5.014 1.00 0.00 N ATOM 483 CA LEU A 31 0.392 12.739 -3.572 1.00 0.00 C ATOM 484 C LEU A 31 1.356 13.645 -2.798 1.00 0.00 C ATOM 485 O LEU A 31 0.948 14.600 -2.168 1.00 0.00 O ATOM 486 CB LEU A 31 0.486 11.299 -3.070 1.00 0.00 C ATOM 487 CG LEU A 31 -0.525 10.429 -3.817 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.076 8.968 -3.768 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.897 10.561 -3.150 1.00 0.00 C ATOM 0 H LEU A 31 1.465 11.968 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.604 13.158 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.495 10.915 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.290 11.263 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.589 10.755 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.797 8.348 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.903 8.872 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.013 8.641 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.620 9.942 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.830 10.233 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.218 11.602 -3.182 1.00 0.00 H new ATOM 501 N GLY A 32 2.629 13.361 -2.837 1.00 0.00 N ATOM 502 CA GLY A 32 3.600 14.219 -2.099 1.00 0.00 C ATOM 503 C GLY A 32 4.305 13.397 -1.014 1.00 0.00 C ATOM 504 O GLY A 32 5.113 13.911 -0.267 1.00 0.00 O ATOM 0 H GLY A 32 3.038 12.576 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.335 14.629 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.081 15.064 -1.647 1.00 0.00 H new ATOM 508 N HIS A 33 4.011 12.126 -0.921 1.00 0.00 N ATOM 509 CA HIS A 33 4.675 11.277 0.113 1.00 0.00 C ATOM 510 C HIS A 33 6.197 11.403 -0.004 1.00 0.00 C ATOM 511 O HIS A 33 6.710 12.281 -0.668 1.00 0.00 O ATOM 512 CB HIS A 33 4.238 9.846 -0.204 1.00 0.00 C ATOM 513 CG HIS A 33 2.837 9.624 0.292 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.728 9.963 -0.463 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.349 9.093 1.459 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.635 9.635 0.252 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.957 9.102 1.432 1.00 0.00 N ATOM 0 H HIS A 33 3.340 11.639 -1.516 1.00 0.00 H new ATOM 0 HA HIS A 33 4.402 11.573 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.286 9.670 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.918 9.135 0.266 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.953 8.724 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.379 9.785 -0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.321 8.772 2.158 1.00 0.00 H new ATOM 525 N GLU A 34 6.925 10.529 0.633 1.00 0.00 N ATOM 526 CA GLU A 34 8.411 10.603 0.553 1.00 0.00 C ATOM 527 C GLU A 34 8.988 9.235 0.189 1.00 0.00 C ATOM 528 O GLU A 34 9.823 8.700 0.890 1.00 0.00 O ATOM 529 CB GLU A 34 8.860 11.018 1.954 1.00 0.00 C ATOM 530 CG GLU A 34 10.249 11.657 1.881 1.00 0.00 C ATOM 531 CD GLU A 34 10.115 13.179 1.946 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.999 13.659 1.848 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.132 13.838 2.091 1.00 0.00 O ATOM 0 H GLU A 34 6.557 9.768 1.204 1.00 0.00 H new ATOM 0 HA GLU A 34 8.751 11.304 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.147 11.723 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.883 10.149 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.869 11.300 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.747 11.364 0.957 1.00 0.00 H new ATOM 540 N VAL A 35 8.551 8.665 -0.902 1.00 0.00 N ATOM 541 CA VAL A 35 9.078 7.331 -1.308 1.00 0.00 C ATOM 542 C VAL A 35 8.819 6.307 -0.199 1.00 0.00 C ATOM 543 O VAL A 35 8.748 6.646 0.965 1.00 0.00 O ATOM 544 CB VAL A 35 10.579 7.550 -1.513 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.235 6.250 -1.982 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.790 8.641 -2.567 1.00 0.00 C ATOM 0 H VAL A 35 7.853 9.065 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 35 8.600 6.945 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 35 11.032 7.857 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.303 6.413 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.084 5.475 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.786 5.935 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.858 8.801 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.334 8.331 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.328 9.568 -2.228 1.00 0.00 H new ATOM 556 N ALA A 36 8.667 5.058 -0.545 1.00 0.00 N ATOM 557 CA ALA A 36 8.404 4.031 0.498 1.00 0.00 C ATOM 558 C ALA A 36 8.937 2.663 0.063 1.00 0.00 C ATOM 559 O ALA A 36 10.088 2.342 0.286 1.00 0.00 O ATOM 560 CB ALA A 36 6.888 4.000 0.639 1.00 0.00 C ATOM 0 H ALA A 36 8.714 4.707 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 36 8.900 4.266 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.608 3.264 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.531 4.984 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.439 3.729 -0.317 1.00 0.00 H new ATOM 566 N ALA A 37 8.120 1.846 -0.553 1.00 0.00 N ATOM 567 CA ALA A 37 8.618 0.508 -0.981 1.00 0.00 C ATOM 568 C ALA A 37 8.418 0.324 -2.481 1.00 0.00 C ATOM 569 O ALA A 37 7.388 0.657 -3.026 1.00 0.00 O ATOM 570 CB ALA A 37 7.774 -0.507 -0.210 1.00 0.00 C ATOM 0 H ALA A 37 7.144 2.045 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 37 9.683 0.390 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.086 -1.517 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.911 -0.355 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.722 -0.374 -0.464 1.00 0.00 H new ATOM 576 N THR A 38 9.400 -0.213 -3.147 1.00 0.00 N ATOM 577 CA THR A 38 9.281 -0.434 -4.614 1.00 0.00 C ATOM 578 C THR A 38 9.610 -1.890 -4.941 1.00 0.00 C ATOM 579 O THR A 38 10.414 -2.517 -4.280 1.00 0.00 O ATOM 580 CB THR A 38 10.303 0.505 -5.255 1.00 0.00 C ATOM 581 OG1 THR A 38 10.604 1.563 -4.358 1.00 0.00 O ATOM 582 CG2 THR A 38 9.721 1.079 -6.546 1.00 0.00 C ATOM 0 H THR A 38 10.285 -0.510 -2.736 1.00 0.00 H new ATOM 0 HA THR A 38 8.274 -0.235 -4.982 1.00 0.00 H new ATOM 0 HB THR A 38 11.215 -0.047 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.260 2.163 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.447 1.749 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.491 0.266 -7.234 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.809 1.632 -6.320 1.00 0.00 H new ATOM 590 N ALA A 39 8.986 -2.438 -5.944 1.00 0.00 N ATOM 591 CA ALA A 39 9.253 -3.861 -6.295 1.00 0.00 C ATOM 592 C ALA A 39 8.832 -4.736 -5.123 1.00 0.00 C ATOM 593 O ALA A 39 8.317 -4.241 -4.150 1.00 0.00 O ATOM 594 CB ALA A 39 10.756 -3.933 -6.516 1.00 0.00 C ATOM 0 H ALA A 39 8.304 -1.964 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 39 8.708 -4.202 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.037 -4.953 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.038 -3.259 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.273 -3.639 -5.602 1.00 0.00 H new ATOM 600 N SER A 40 9.045 -6.019 -5.184 1.00 0.00 N ATOM 601 CA SER A 40 8.645 -6.865 -4.025 1.00 0.00 C ATOM 602 C SER A 40 9.882 -7.426 -3.337 1.00 0.00 C ATOM 603 O SER A 40 10.673 -8.142 -3.919 1.00 0.00 O ATOM 604 CB SER A 40 7.741 -7.964 -4.578 1.00 0.00 C ATOM 605 OG SER A 40 8.507 -8.853 -5.381 1.00 0.00 O ATOM 0 H SER A 40 9.470 -6.512 -5.969 1.00 0.00 H new ATOM 0 HA SER A 40 8.108 -6.293 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.272 -8.510 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.937 -7.525 -5.169 1.00 0.00 H new ATOM 0 HG SER A 40 9.447 -8.812 -5.109 1.00 0.00 H new ATOM 611 N ARG A 41 10.060 -7.064 -2.098 1.00 0.00 N ATOM 612 CA ARG A 41 11.246 -7.518 -1.341 1.00 0.00 C ATOM 613 C ARG A 41 10.839 -8.131 -0.001 1.00 0.00 C ATOM 614 O ARG A 41 9.907 -7.687 0.639 1.00 0.00 O ATOM 615 CB ARG A 41 12.041 -6.235 -1.113 1.00 0.00 C ATOM 616 CG ARG A 41 13.489 -6.583 -0.781 1.00 0.00 C ATOM 617 CD ARG A 41 14.255 -6.830 -2.081 1.00 0.00 C ATOM 618 NE ARG A 41 15.391 -7.711 -1.694 1.00 0.00 N ATOM 619 CZ ARG A 41 15.216 -9.001 -1.601 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.712 -9.664 -2.606 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.543 -9.625 -0.501 1.00 0.00 N ATOM 0 H ARG A 41 9.422 -6.464 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 41 11.810 -8.286 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.002 -5.608 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.598 -5.661 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.952 -5.771 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.527 -7.469 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.621 -7.308 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.610 -5.895 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 41 16.307 -7.306 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.455 -9.174 -3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.575 -10.672 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.934 -9.104 0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.407 -10.633 -0.427 1.00 0.00 H new ATOM 635 N MET A 42 11.539 -9.141 0.436 1.00 0.00 N ATOM 636 CA MET A 42 11.203 -9.773 1.737 1.00 0.00 C ATOM 637 C MET A 42 11.833 -8.974 2.881 1.00 0.00 C ATOM 638 O MET A 42 11.293 -8.898 3.968 1.00 0.00 O ATOM 639 CB MET A 42 11.795 -11.178 1.659 1.00 0.00 C ATOM 640 CG MET A 42 11.361 -11.835 0.348 1.00 0.00 C ATOM 641 SD MET A 42 11.882 -13.568 0.339 1.00 0.00 S ATOM 642 CE MET A 42 10.852 -14.110 -1.044 1.00 0.00 C ATOM 0 H MET A 42 12.331 -9.555 -0.055 1.00 0.00 H new ATOM 0 HA MET A 42 10.130 -9.801 1.925 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.883 -11.131 1.713 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.459 -11.775 2.507 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.279 -11.769 0.237 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.801 -11.308 -0.498 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.018 -15.172 -1.227 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.802 -13.943 -0.803 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.114 -13.543 -1.937 1.00 0.00 H new ATOM 652 N GLN A 43 12.967 -8.369 2.644 1.00 0.00 N ATOM 653 CA GLN A 43 13.623 -7.567 3.717 1.00 0.00 C ATOM 654 C GLN A 43 12.816 -6.290 3.974 1.00 0.00 C ATOM 655 O GLN A 43 12.480 -5.973 5.097 1.00 0.00 O ATOM 656 CB GLN A 43 15.014 -7.224 3.178 1.00 0.00 C ATOM 657 CG GLN A 43 15.724 -6.289 4.162 1.00 0.00 C ATOM 658 CD GLN A 43 16.869 -5.564 3.450 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.943 -4.352 3.475 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.771 -6.259 2.813 1.00 0.00 N ATOM 0 H GLN A 43 13.466 -8.396 1.755 1.00 0.00 H new ATOM 0 HA GLN A 43 13.683 -8.110 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.597 -8.134 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.930 -6.747 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.017 -5.564 4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.111 -6.860 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.709 -7.277 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.538 -5.784 2.336 1.00 0.00 H new ATOM 669 N GLU A 44 12.495 -5.558 2.939 1.00 0.00 N ATOM 670 CA GLU A 44 11.703 -4.310 3.127 1.00 0.00 C ATOM 671 C GLU A 44 10.334 -4.654 3.712 1.00 0.00 C ATOM 672 O GLU A 44 9.924 -4.115 4.721 1.00 0.00 O ATOM 673 CB GLU A 44 11.546 -3.713 1.730 1.00 0.00 C ATOM 674 CG GLU A 44 12.262 -2.362 1.668 1.00 0.00 C ATOM 675 CD GLU A 44 13.435 -2.447 0.691 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.428 -3.342 -0.137 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.320 -1.613 0.787 1.00 0.00 O ATOM 0 H GLU A 44 12.747 -5.771 1.974 1.00 0.00 H new ATOM 0 HA GLU A 44 12.188 -3.613 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.961 -4.391 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.489 -3.588 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.567 -1.585 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.621 -2.083 2.659 1.00 0.00 H new ATOM 684 N ALA A 45 9.628 -5.556 3.088 1.00 0.00 N ATOM 685 CA ALA A 45 8.289 -5.944 3.616 1.00 0.00 C ATOM 686 C ALA A 45 8.412 -6.268 5.104 1.00 0.00 C ATOM 687 O ALA A 45 7.642 -5.810 5.922 1.00 0.00 O ATOM 688 CB ALA A 45 7.892 -7.189 2.822 1.00 0.00 C ATOM 0 H ALA A 45 9.919 -6.040 2.238 1.00 0.00 H new ATOM 0 HA ALA A 45 7.546 -5.153 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.914 -7.536 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.849 -6.945 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.630 -7.975 2.984 1.00 0.00 H new ATOM 694 N LEU A 46 9.395 -7.042 5.463 1.00 0.00 N ATOM 695 CA LEU A 46 9.586 -7.375 6.898 1.00 0.00 C ATOM 696 C LEU A 46 9.538 -6.091 7.719 1.00 0.00 C ATOM 697 O LEU A 46 9.029 -6.055 8.822 1.00 0.00 O ATOM 698 CB LEU A 46 10.978 -7.992 6.972 1.00 0.00 C ATOM 699 CG LEU A 46 11.414 -8.093 8.434 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.468 -9.029 9.188 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.839 -8.643 8.500 1.00 0.00 C ATOM 0 H LEU A 46 10.074 -7.458 4.825 1.00 0.00 H new ATOM 0 HA LEU A 46 8.820 -8.048 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.974 -8.981 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.687 -7.384 6.411 1.00 0.00 H new ATOM 0 HG LEU A 46 11.383 -7.105 8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.780 -9.100 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.452 -8.636 9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.496 -10.019 8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.153 -8.716 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.869 -9.631 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.512 -7.974 7.964 1.00 0.00 H new ATOM 713 N ASP A 47 10.073 -5.036 7.175 1.00 0.00 N ATOM 714 CA ASP A 47 10.075 -3.738 7.899 1.00 0.00 C ATOM 715 C ASP A 47 8.639 -3.273 8.141 1.00 0.00 C ATOM 716 O ASP A 47 8.247 -3.008 9.258 1.00 0.00 O ATOM 717 CB ASP A 47 10.811 -2.764 6.977 1.00 0.00 C ATOM 718 CG ASP A 47 11.521 -1.703 7.820 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.274 -1.661 9.014 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.301 -0.951 7.258 1.00 0.00 O ATOM 0 H ASP A 47 10.512 -5.018 6.254 1.00 0.00 H new ATOM 0 HA ASP A 47 10.556 -3.809 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.535 -3.302 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.106 -2.290 6.294 1.00 0.00 H new ATOM 725 N ILE A 48 7.843 -3.188 7.109 1.00 0.00 N ATOM 726 CA ILE A 48 6.430 -2.751 7.320 1.00 0.00 C ATOM 727 C ILE A 48 5.660 -3.892 7.993 1.00 0.00 C ATOM 728 O ILE A 48 4.639 -3.685 8.612 1.00 0.00 O ATOM 729 CB ILE A 48 5.825 -2.360 5.937 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.803 -3.405 5.456 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.916 -2.184 4.876 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.519 -4.679 5.015 1.00 0.00 C ATOM 0 H ILE A 48 8.102 -3.398 6.145 1.00 0.00 H new ATOM 0 HA ILE A 48 6.369 -1.880 7.972 1.00 0.00 H new ATOM 0 HB ILE A 48 5.315 -1.407 6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.100 -3.633 6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.221 -3.001 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.458 -1.912 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.602 -1.396 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.465 -3.119 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.785 -5.410 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.203 -4.448 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.081 -5.090 5.854 1.00 0.00 H new ATOM 744 N ALA A 49 6.159 -5.094 7.892 1.00 0.00 N ATOM 745 CA ALA A 49 5.472 -6.240 8.542 1.00 0.00 C ATOM 746 C ALA A 49 5.703 -6.180 10.051 1.00 0.00 C ATOM 747 O ALA A 49 4.898 -6.641 10.835 1.00 0.00 O ATOM 748 CB ALA A 49 6.123 -7.489 7.948 1.00 0.00 C ATOM 0 H ALA A 49 7.013 -5.329 7.387 1.00 0.00 H new ATOM 0 HA ALA A 49 4.395 -6.233 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.666 -8.379 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.978 -7.496 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.190 -7.484 8.171 1.00 0.00 H new ATOM 754 N ARG A 50 6.803 -5.610 10.457 1.00 0.00 N ATOM 755 CA ARG A 50 7.103 -5.508 11.904 1.00 0.00 C ATOM 756 C ARG A 50 6.939 -4.058 12.373 1.00 0.00 C ATOM 757 O ARG A 50 6.711 -3.794 13.536 1.00 0.00 O ATOM 758 CB ARG A 50 8.557 -5.964 12.035 1.00 0.00 C ATOM 759 CG ARG A 50 8.597 -7.419 12.510 1.00 0.00 C ATOM 760 CD ARG A 50 7.873 -8.311 11.497 1.00 0.00 C ATOM 761 NE ARG A 50 6.938 -9.139 12.307 1.00 0.00 N ATOM 762 CZ ARG A 50 5.774 -9.472 11.819 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.613 -9.572 10.527 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.772 -9.702 12.621 1.00 0.00 N ATOM 0 H ARG A 50 7.510 -5.209 9.840 1.00 0.00 H new ATOM 0 HA ARG A 50 6.433 -6.113 12.515 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.066 -5.870 11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.087 -5.325 12.742 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.630 -7.746 12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.125 -7.506 13.489 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.334 -7.714 10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.577 -8.935 10.947 1.00 0.00 H new ATOM 0 HE ARG A 50 7.206 -9.446 13.242 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.397 -9.390 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.704 -9.832 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.898 -9.622 13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.863 -9.962 12.239 1.00 0.00 H new ATOM 778 N LYS A 51 7.052 -3.118 11.474 1.00 0.00 N ATOM 779 CA LYS A 51 6.901 -1.687 11.863 1.00 0.00 C ATOM 780 C LYS A 51 5.511 -1.444 12.460 1.00 0.00 C ATOM 781 O LYS A 51 5.372 -0.908 13.541 1.00 0.00 O ATOM 782 CB LYS A 51 7.067 -0.913 10.555 1.00 0.00 C ATOM 783 CG LYS A 51 6.989 0.586 10.826 1.00 0.00 C ATOM 784 CD LYS A 51 8.354 1.213 10.532 1.00 0.00 C ATOM 785 CE LYS A 51 8.775 2.118 11.691 1.00 0.00 C ATOM 786 NZ LYS A 51 9.287 1.193 12.740 1.00 0.00 N ATOM 0 H LYS A 51 7.243 -3.280 10.485 1.00 0.00 H new ATOM 0 HA LYS A 51 7.625 -1.380 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.024 -1.159 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.290 -1.205 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.222 1.043 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.706 0.768 11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.098 0.431 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.307 1.790 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.544 2.825 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.933 2.704 12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.595 1.743 13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.532 0.536 13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.093 0.653 12.364 1.00 0.00 H new ATOM 800 N GLY A 52 4.484 -1.850 11.766 1.00 0.00 N ATOM 801 CA GLY A 52 3.099 -1.663 12.288 1.00 0.00 C ATOM 802 C GLY A 52 2.820 -0.178 12.563 1.00 0.00 C ATOM 803 O GLY A 52 1.881 0.161 13.253 1.00 0.00 O ATOM 0 H GLY A 52 4.544 -2.306 10.855 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.378 -2.046 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.969 -2.239 13.204 1.00 0.00 H new ATOM 807 N GLN A 53 3.615 0.710 12.026 1.00 0.00 N ATOM 808 CA GLN A 53 3.366 2.166 12.265 1.00 0.00 C ATOM 809 C GLN A 53 3.639 2.969 10.988 1.00 0.00 C ATOM 810 O GLN A 53 3.731 4.181 11.007 1.00 0.00 O ATOM 811 CB GLN A 53 4.328 2.567 13.388 1.00 0.00 C ATOM 812 CG GLN A 53 5.749 2.729 12.842 1.00 0.00 C ATOM 813 CD GLN A 53 6.226 4.166 13.076 1.00 0.00 C ATOM 814 OE1 GLN A 53 6.824 4.768 12.207 1.00 0.00 O ATOM 815 NE2 GLN A 53 5.986 4.743 14.222 1.00 0.00 N ATOM 0 H GLN A 53 4.420 0.495 11.437 1.00 0.00 H new ATOM 0 HA GLN A 53 2.331 2.366 12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.998 3.501 13.842 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.317 1.810 14.172 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.421 2.027 13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.770 2.497 11.777 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.484 4.238 14.952 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.301 5.699 14.387 1.00 0.00 H new ATOM 824 N PHE A 54 3.753 2.296 9.878 1.00 0.00 N ATOM 825 CA PHE A 54 4.003 3.000 8.585 1.00 0.00 C ATOM 826 C PHE A 54 2.681 3.544 8.039 1.00 0.00 C ATOM 827 O PHE A 54 1.645 3.409 8.659 1.00 0.00 O ATOM 828 CB PHE A 54 4.583 1.932 7.652 1.00 0.00 C ATOM 829 CG PHE A 54 3.643 0.752 7.593 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.535 0.785 6.741 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.869 -0.367 8.405 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.654 -0.301 6.698 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.986 -1.449 8.366 1.00 0.00 C ATOM 834 CZ PHE A 54 1.877 -1.417 7.513 1.00 0.00 C ATOM 0 H PHE A 54 3.684 1.281 9.808 1.00 0.00 H new ATOM 0 HA PHE A 54 4.682 3.846 8.689 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.728 2.345 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.562 1.613 8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.359 1.648 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.726 -0.393 9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.801 -0.278 6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.159 -2.310 8.994 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.194 -2.253 7.484 1.00 0.00 H new ATOM 844 N ASP A 55 2.700 4.164 6.894 1.00 0.00 N ATOM 845 CA ASP A 55 1.432 4.714 6.340 1.00 0.00 C ATOM 846 C ASP A 55 0.606 3.610 5.679 1.00 0.00 C ATOM 847 O ASP A 55 -0.532 3.385 6.037 1.00 0.00 O ATOM 848 CB ASP A 55 1.854 5.752 5.302 1.00 0.00 C ATOM 849 CG ASP A 55 0.657 6.634 4.945 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.100 6.967 5.843 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.515 6.963 3.778 1.00 0.00 O ATOM 0 H ASP A 55 3.531 4.313 6.321 1.00 0.00 H new ATOM 0 HA ASP A 55 0.811 5.150 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.666 6.364 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.232 5.255 4.409 1.00 0.00 H new ATOM 856 N ILE A 56 1.160 2.927 4.710 1.00 0.00 N ATOM 857 CA ILE A 56 0.377 1.852 4.021 1.00 0.00 C ATOM 858 C ILE A 56 1.267 0.663 3.639 1.00 0.00 C ATOM 859 O ILE A 56 2.465 0.695 3.829 1.00 0.00 O ATOM 860 CB ILE A 56 -0.173 2.533 2.773 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.046 3.723 3.220 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.979 1.509 1.961 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.203 3.958 2.248 1.00 0.00 C ATOM 0 H ILE A 56 2.111 3.063 4.367 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.405 1.442 4.661 1.00 0.00 H new ATOM 0 HB ILE A 56 0.628 2.908 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.440 3.533 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.434 4.622 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.377 1.987 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.331 0.681 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.802 1.131 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.800 4.803 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.807 4.172 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.828 3.066 2.204 1.00 0.00 H new ATOM 875 N ALA A 57 0.685 -0.395 3.114 1.00 0.00 N ATOM 876 CA ALA A 57 1.505 -1.588 2.743 1.00 0.00 C ATOM 877 C ALA A 57 0.871 -2.366 1.584 1.00 0.00 C ATOM 878 O ALA A 57 -0.073 -3.105 1.770 1.00 0.00 O ATOM 879 CB ALA A 57 1.486 -2.447 4.001 1.00 0.00 C ATOM 0 H ALA A 57 -0.315 -0.479 2.929 1.00 0.00 H new ATOM 0 HA ALA A 57 2.506 -1.308 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.065 -3.355 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.922 -1.889 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.457 -2.713 4.244 1.00 0.00 H new ATOM 885 N ILE A 58 1.399 -2.246 0.397 1.00 0.00 N ATOM 886 CA ILE A 58 0.825 -3.013 -0.740 1.00 0.00 C ATOM 887 C ILE A 58 1.798 -4.116 -1.144 1.00 0.00 C ATOM 888 O ILE A 58 2.953 -3.873 -1.426 1.00 0.00 O ATOM 889 CB ILE A 58 0.640 -2.003 -1.866 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.474 -1.026 -1.489 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.266 -2.738 -3.152 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.134 0.187 -0.783 1.00 0.00 C ATOM 0 H ILE A 58 2.197 -1.654 0.168 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.122 -3.491 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 58 1.568 -1.453 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.013 -0.709 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.197 -1.516 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.133 -2.016 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.061 -3.436 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.663 -3.287 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.658 0.886 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.653 -0.139 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.841 0.680 -1.451 1.00 0.00 H new ATOM 904 N ILE A 59 1.332 -5.327 -1.152 1.00 0.00 N ATOM 905 CA ILE A 59 2.203 -6.480 -1.509 1.00 0.00 C ATOM 906 C ILE A 59 1.378 -7.500 -2.302 1.00 0.00 C ATOM 907 O ILE A 59 0.940 -8.502 -1.779 1.00 0.00 O ATOM 908 CB ILE A 59 2.618 -7.060 -0.158 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.436 -6.028 0.623 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.453 -8.314 -0.373 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.593 -5.478 1.775 1.00 0.00 C ATOM 0 H ILE A 59 0.369 -5.574 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 59 3.062 -6.207 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 59 1.723 -7.313 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.346 -6.486 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.744 -5.217 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.747 -8.725 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.866 -9.053 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.345 -8.063 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.174 -4.743 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.696 -5.005 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.308 -6.294 2.439 1.00 0.00 H new ATOM 923 N ASP A 60 1.146 -7.229 -3.552 1.00 0.00 N ATOM 924 CA ASP A 60 0.318 -8.151 -4.398 1.00 0.00 C ATOM 925 C ASP A 60 0.572 -9.619 -4.054 1.00 0.00 C ATOM 926 O ASP A 60 1.683 -10.031 -3.787 1.00 0.00 O ATOM 927 CB ASP A 60 0.741 -7.852 -5.837 1.00 0.00 C ATOM 928 CG ASP A 60 2.061 -8.558 -6.153 1.00 0.00 C ATOM 929 OD1 ASP A 60 2.911 -8.604 -5.278 1.00 0.00 O ATOM 930 OD2 ASP A 60 2.200 -9.039 -7.265 1.00 0.00 O ATOM 0 H ASP A 60 1.495 -6.402 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.748 -7.990 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.033 -8.184 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.852 -6.777 -5.976 1.00 0.00 H new ATOM 935 N VAL A 61 -0.467 -10.410 -4.066 1.00 0.00 N ATOM 936 CA VAL A 61 -0.313 -11.857 -3.748 1.00 0.00 C ATOM 937 C VAL A 61 -0.586 -12.702 -4.999 1.00 0.00 C ATOM 938 O VAL A 61 -0.748 -13.904 -4.923 1.00 0.00 O ATOM 939 CB VAL A 61 -1.338 -12.118 -2.625 1.00 0.00 C ATOM 940 CG1 VAL A 61 -2.390 -13.154 -3.049 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.602 -12.631 -1.385 1.00 0.00 C ATOM 0 H VAL A 61 -1.419 -10.114 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 61 0.694 -12.125 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.851 -11.181 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.095 -13.312 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.926 -12.790 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.897 -14.096 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.320 -12.818 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.081 -13.557 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.120 -11.884 -1.056 1.00 0.00 H new ATOM 951 N ASN A 62 -0.644 -12.083 -6.149 1.00 0.00 N ATOM 952 CA ASN A 62 -0.911 -12.861 -7.391 1.00 0.00 C ATOM 953 C ASN A 62 -0.584 -12.042 -8.639 1.00 0.00 C ATOM 954 O ASN A 62 -1.119 -12.284 -9.703 1.00 0.00 O ATOM 955 CB ASN A 62 -2.399 -13.164 -7.342 1.00 0.00 C ATOM 956 CG ASN A 62 -2.605 -14.678 -7.270 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.762 -15.437 -7.703 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.697 -15.153 -6.737 1.00 0.00 N ATOM 0 H ASN A 62 -0.519 -11.079 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.297 -13.760 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.851 -12.682 -6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.893 -12.760 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.842 -16.161 -6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.406 -14.516 -6.373 1.00 0.00 H new ATOM 965 N LEU A 63 0.280 -11.076 -8.529 1.00 0.00 N ATOM 966 CA LEU A 63 0.610 -10.260 -9.727 1.00 0.00 C ATOM 967 C LEU A 63 2.033 -10.552 -10.204 1.00 0.00 C ATOM 968 O LEU A 63 2.982 -10.498 -9.447 1.00 0.00 O ATOM 969 CB LEU A 63 0.474 -8.811 -9.271 1.00 0.00 C ATOM 970 CG LEU A 63 -0.376 -8.043 -10.283 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.793 -8.621 -10.307 1.00 0.00 C ATOM 972 CD2 LEU A 63 -0.433 -6.571 -9.878 1.00 0.00 C ATOM 0 H LEU A 63 0.768 -10.817 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.047 -10.483 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.012 -8.770 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.458 -8.351 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 63 0.067 -8.134 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.398 -8.072 -11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.752 -9.672 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.240 -8.531 -9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.038 -6.019 -10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.877 -6.483 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.576 -6.159 -9.861 1.00 0.00 H new ATOM 984 N ASP A 64 2.177 -10.854 -11.465 1.00 0.00 N ATOM 985 CA ASP A 64 3.526 -11.143 -12.029 1.00 0.00 C ATOM 986 C ASP A 64 4.184 -12.344 -11.338 1.00 0.00 C ATOM 987 O ASP A 64 5.336 -12.640 -11.587 1.00 0.00 O ATOM 988 CB ASP A 64 4.341 -9.873 -11.779 1.00 0.00 C ATOM 989 CG ASP A 64 4.202 -8.932 -12.979 1.00 0.00 C ATOM 990 OD1 ASP A 64 3.144 -8.931 -13.587 1.00 0.00 O ATOM 991 OD2 ASP A 64 5.155 -8.229 -13.270 1.00 0.00 O ATOM 0 H ASP A 64 1.410 -10.913 -12.135 1.00 0.00 H new ATOM 0 HA ASP A 64 3.466 -11.400 -13.087 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.993 -9.377 -10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.389 -10.126 -11.621 1.00 0.00 H new ATOM 996 N GLY A 65 3.489 -13.048 -10.480 1.00 0.00 N ATOM 997 CA GLY A 65 4.145 -14.216 -9.823 1.00 0.00 C ATOM 998 C GLY A 65 3.332 -14.691 -8.621 1.00 0.00 C ATOM 999 O GLY A 65 3.098 -15.870 -8.466 1.00 0.00 O ATOM 0 H GLY A 65 2.521 -12.871 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.251 -15.030 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.150 -13.941 -9.502 1.00 0.00 H new ATOM 1003 N GLU A 66 2.930 -13.777 -7.769 1.00 0.00 N ATOM 1004 CA GLU A 66 2.141 -14.118 -6.537 1.00 0.00 C ATOM 1005 C GLU A 66 3.069 -14.396 -5.340 1.00 0.00 C ATOM 1006 O GLU A 66 2.754 -15.214 -4.500 1.00 0.00 O ATOM 1007 CB GLU A 66 1.259 -15.343 -6.884 1.00 0.00 C ATOM 1008 CG GLU A 66 1.896 -16.663 -6.408 1.00 0.00 C ATOM 1009 CD GLU A 66 1.201 -17.140 -5.129 1.00 0.00 C ATOM 1010 OE1 GLU A 66 0.066 -16.750 -4.914 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.818 -17.887 -4.387 1.00 0.00 O ATOM 0 H GLU A 66 3.121 -12.781 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 66 1.512 -13.280 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.278 -15.226 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.102 -15.384 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.808 -17.422 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.960 -16.518 -6.223 1.00 0.00 H new ATOM 1018 N PRO A 67 4.177 -13.695 -5.273 1.00 0.00 N ATOM 1019 CA PRO A 67 5.101 -13.895 -4.139 1.00 0.00 C ATOM 1020 C PRO A 67 4.500 -13.288 -2.873 1.00 0.00 C ATOM 1021 O PRO A 67 3.938 -13.978 -2.047 1.00 0.00 O ATOM 1022 CB PRO A 67 6.370 -13.159 -4.564 1.00 0.00 C ATOM 1023 CG PRO A 67 5.922 -12.140 -5.563 1.00 0.00 C ATOM 1024 CD PRO A 67 4.669 -12.672 -6.208 1.00 0.00 C ATOM 0 HA PRO A 67 5.296 -14.944 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.854 -12.686 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.095 -13.846 -5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.729 -11.184 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.696 -11.967 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.933 -11.882 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.878 -13.099 -7.189 1.00 0.00 H new ATOM 1032 N SER A 68 4.606 -11.999 -2.719 1.00 0.00 N ATOM 1033 CA SER A 68 4.033 -11.331 -1.508 1.00 0.00 C ATOM 1034 C SER A 68 4.467 -12.030 -0.204 1.00 0.00 C ATOM 1035 O SER A 68 3.978 -11.708 0.859 1.00 0.00 O ATOM 1036 CB SER A 68 2.524 -11.456 -1.697 1.00 0.00 C ATOM 1037 OG SER A 68 1.992 -12.341 -0.719 1.00 0.00 O ATOM 0 H SER A 68 5.066 -11.373 -3.380 1.00 0.00 H new ATOM 0 HA SER A 68 4.374 -10.300 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.054 -10.476 -1.610 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.302 -11.828 -2.697 1.00 0.00 H new ATOM 0 HG SER A 68 2.326 -13.248 -0.882 1.00 0.00 H new ATOM 1043 N TYR A 69 5.380 -12.968 -0.273 1.00 0.00 N ATOM 1044 CA TYR A 69 5.844 -13.688 0.954 1.00 0.00 C ATOM 1045 C TYR A 69 4.664 -14.122 1.841 1.00 0.00 C ATOM 1046 O TYR A 69 3.514 -13.755 1.626 1.00 0.00 O ATOM 1047 CB TYR A 69 6.764 -12.730 1.735 1.00 0.00 C ATOM 1048 CG TYR A 69 6.862 -11.374 1.072 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.711 -11.185 -0.024 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.105 -10.308 1.562 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.801 -9.925 -0.628 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.194 -9.051 0.961 1.00 0.00 C ATOM 1053 CZ TYR A 69 7.042 -8.857 -0.136 1.00 0.00 C ATOM 1054 OH TYR A 69 7.127 -7.615 -0.732 1.00 0.00 O ATOM 0 H TYR A 69 5.829 -13.269 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 69 6.374 -14.595 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.386 -12.611 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.759 -13.167 1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.296 -12.010 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.449 -10.456 2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.456 -9.777 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.608 -8.228 1.343 1.00 0.00 H new ATOM 0 HH TYR A 69 6.458 -7.548 -1.445 1.00 0.00 H new ATOM 1064 N PRO A 70 5.005 -14.900 2.829 1.00 0.00 N ATOM 1065 CA PRO A 70 3.996 -15.406 3.783 1.00 0.00 C ATOM 1066 C PRO A 70 3.517 -14.273 4.687 1.00 0.00 C ATOM 1067 O PRO A 70 2.674 -14.465 5.540 1.00 0.00 O ATOM 1068 CB PRO A 70 4.753 -16.468 4.578 1.00 0.00 C ATOM 1069 CG PRO A 70 6.192 -16.081 4.470 1.00 0.00 C ATOM 1070 CD PRO A 70 6.357 -15.373 3.150 1.00 0.00 C ATOM 0 HA PRO A 70 3.104 -15.807 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.427 -16.489 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.581 -17.464 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.480 -15.430 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.833 -16.961 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.062 -14.545 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.738 -16.045 2.381 1.00 0.00 H new ATOM 1078 N VAL A 71 4.033 -13.083 4.505 1.00 0.00 N ATOM 1079 CA VAL A 71 3.572 -11.963 5.362 1.00 0.00 C ATOM 1080 C VAL A 71 2.391 -11.279 4.677 1.00 0.00 C ATOM 1081 O VAL A 71 1.296 -11.313 5.186 1.00 0.00 O ATOM 1082 CB VAL A 71 4.779 -11.008 5.611 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.085 -11.597 5.065 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.551 -9.633 4.962 1.00 0.00 C ATOM 0 H VAL A 71 4.742 -12.847 3.810 1.00 0.00 H new ATOM 0 HA VAL A 71 3.222 -12.306 6.336 1.00 0.00 H new ATOM 0 HB VAL A 71 4.860 -10.890 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.905 -10.904 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.290 -12.547 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.990 -11.759 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.411 -8.992 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.424 -9.755 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.656 -9.175 5.384 1.00 0.00 H new ATOM 1094 N ALA A 72 2.581 -10.705 3.511 1.00 0.00 N ATOM 1095 CA ALA A 72 1.423 -10.085 2.791 1.00 0.00 C ATOM 1096 C ALA A 72 0.227 -10.999 2.974 1.00 0.00 C ATOM 1097 O ALA A 72 -0.889 -10.571 3.190 1.00 0.00 O ATOM 1098 CB ALA A 72 1.845 -10.081 1.335 1.00 0.00 C ATOM 0 H ALA A 72 3.479 -10.640 3.031 1.00 0.00 H new ATOM 0 HA ALA A 72 1.164 -9.087 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.053 -9.642 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.757 -9.494 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.029 -11.104 1.007 1.00 0.00 H new ATOM 1104 N ASP A 73 0.487 -12.275 2.932 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.592 -13.262 3.149 1.00 0.00 C ATOM 1106 C ASP A 73 -1.194 -13.037 4.529 1.00 0.00 C ATOM 1107 O ASP A 73 -2.383 -12.847 4.698 1.00 0.00 O ATOM 1108 CB ASP A 73 0.135 -14.592 3.127 1.00 0.00 C ATOM 1109 CG ASP A 73 0.261 -15.088 1.685 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.755 -15.449 1.113 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.370 -15.098 1.178 1.00 0.00 O ATOM 0 H ASP A 73 1.409 -12.674 2.755 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.395 -13.201 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.124 -14.484 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.407 -15.323 3.727 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.350 -13.050 5.518 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.815 -12.833 6.912 1.00 0.00 C ATOM 1118 C ILE A 74 -1.272 -11.389 7.072 1.00 0.00 C ATOM 1119 O ILE A 74 -2.310 -11.111 7.639 1.00 0.00 O ATOM 1120 CB ILE A 74 0.405 -13.112 7.788 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.704 -14.613 7.778 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.117 -12.657 9.221 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.789 -14.927 8.812 1.00 0.00 C ATOM 0 H ILE A 74 0.654 -13.203 5.419 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.655 -13.474 7.181 1.00 0.00 H new ATOM 0 HB ILE A 74 1.266 -12.567 7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.202 -15.176 8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.033 -14.922 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.987 -12.855 9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.098 -11.589 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.743 -13.203 9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.001 -15.996 8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.696 -14.375 8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.443 -14.633 9.803 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.513 -10.466 6.554 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.912 -9.043 6.653 1.00 0.00 C ATOM 1137 C LEU A 75 -2.383 -8.928 6.271 1.00 0.00 C ATOM 1138 O LEU A 75 -3.081 -8.037 6.699 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.017 -8.315 5.646 1.00 0.00 C ATOM 1140 CG LEU A 75 0.446 -6.982 6.239 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.848 -7.146 6.829 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.479 -5.917 5.141 1.00 0.00 C ATOM 0 H LEU A 75 0.366 -10.639 6.067 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.798 -8.623 7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.846 -8.933 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.562 -8.142 4.718 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.246 -6.675 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.178 -6.197 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.827 -7.904 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.539 -7.454 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.809 -4.968 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.171 -6.224 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.519 -5.799 4.719 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.858 -9.842 5.470 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.281 -9.815 5.056 1.00 0.00 C ATOM 1156 C ALA A 76 -5.161 -10.443 6.143 1.00 0.00 C ATOM 1157 O ALA A 76 -6.262 -9.999 6.400 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.326 -10.647 3.773 1.00 0.00 C ATOM 0 H ALA A 76 -2.312 -10.612 5.083 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.653 -8.802 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.348 -10.680 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.677 -10.195 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.985 -11.660 3.984 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.684 -11.483 6.775 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.490 -12.154 7.837 1.00 0.00 C ATOM 1166 C GLU A 77 -5.532 -11.318 9.127 1.00 0.00 C ATOM 1167 O GLU A 77 -6.371 -11.529 9.979 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.773 -13.480 8.096 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.653 -14.267 6.791 1.00 0.00 C ATOM 1170 CD GLU A 77 -6.011 -14.873 6.430 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -6.769 -15.158 7.341 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -6.269 -15.040 5.249 1.00 0.00 O ATOM 0 H GLU A 77 -3.768 -11.898 6.601 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.526 -12.287 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.783 -13.293 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.323 -14.064 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.311 -13.612 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.908 -15.056 6.897 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.634 -10.383 9.287 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.632 -9.560 10.528 1.00 0.00 C ATOM 1181 C ARG A 78 -4.140 -8.146 10.226 1.00 0.00 C ATOM 1182 O ARG A 78 -3.703 -7.428 11.104 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.652 -10.266 11.459 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.262 -10.252 10.823 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.199 -10.470 11.904 1.00 0.00 C ATOM 1186 NE ARG A 78 -1.198 -11.938 12.165 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.777 -12.397 13.315 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.233 -11.826 13.916 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -1.365 -13.426 13.864 1.00 0.00 N ATOM 0 H ARG A 78 -3.904 -10.155 8.613 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.627 -9.467 10.963 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.628 -9.767 12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.974 -11.292 11.637 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.190 -11.032 10.066 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.092 -9.301 10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.220 -10.130 11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.437 -9.910 12.808 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.526 -12.584 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.693 -11.022 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.561 -12.184 14.813 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.153 -13.873 13.396 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.036 -13.783 14.761 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.190 -7.758 8.986 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.708 -6.397 8.589 1.00 0.00 C ATOM 1205 C ASN A 79 -3.969 -5.352 9.681 1.00 0.00 C ATOM 1206 O ASN A 79 -4.857 -5.484 10.498 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.471 -6.002 7.311 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.709 -6.883 7.095 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.458 -7.142 8.016 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -5.952 -7.355 5.902 1.00 0.00 N ATOM 0 H ASN A 79 -4.547 -8.327 8.218 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.630 -6.429 8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.775 -4.957 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.808 -6.088 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.771 -7.942 5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.323 -7.137 5.129 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.186 -4.309 9.673 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.338 -3.205 10.674 1.00 0.00 C ATOM 1219 C VAL A 80 -3.623 -1.910 9.883 1.00 0.00 C ATOM 1220 O VAL A 80 -4.055 -2.010 8.752 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.993 -3.154 11.425 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.261 -3.010 12.925 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.185 -4.440 11.197 1.00 0.00 C ATOM 0 H VAL A 80 -2.430 -4.169 9.002 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.150 -3.344 11.387 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.423 -2.305 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.313 -2.973 13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.818 -2.091 13.109 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.843 -3.863 13.274 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.241 -4.377 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.754 -5.296 11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.986 -4.560 10.132 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.383 -0.728 10.436 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.661 0.496 9.638 1.00 0.00 C ATOM 1235 C PRO A 81 -2.764 0.496 8.402 1.00 0.00 C ATOM 1236 O PRO A 81 -1.553 0.501 8.499 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.361 1.643 10.597 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.440 1.058 11.611 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.843 -0.387 11.767 1.00 0.00 C ATOM 0 HA PRO A 81 -4.682 0.570 9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.897 2.482 10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.273 2.020 11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.403 1.139 11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.520 1.588 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.993 -1.017 12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.590 -0.515 12.550 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.363 0.440 7.240 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.572 0.374 5.983 1.00 0.00 C ATOM 1249 C PHE A 82 -3.514 0.246 4.774 1.00 0.00 C ATOM 1250 O PHE A 82 -4.622 0.746 4.766 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.756 -0.927 6.133 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.615 -2.134 5.775 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.981 -2.154 6.102 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.049 -3.222 5.099 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.773 -3.252 5.755 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.846 -4.320 4.749 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.205 -4.335 5.079 1.00 0.00 C ATOM 0 H PHE A 82 -4.375 0.437 7.111 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.955 1.258 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.879 -0.891 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.393 -1.021 7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.421 -1.317 6.624 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.999 -3.215 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.823 -3.263 6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.410 -5.157 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.816 -5.184 4.811 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.076 -0.480 3.784 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.908 -0.742 2.582 1.00 0.00 C ATOM 1269 C ILE A 83 -3.211 -1.827 1.769 1.00 0.00 C ATOM 1270 O ILE A 83 -2.007 -1.951 1.819 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.012 0.591 1.839 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.441 1.124 1.987 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.683 0.426 0.349 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.488 2.609 1.626 1.00 0.00 C ATOM 0 H ILE A 83 -2.152 -0.912 3.760 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.914 -1.098 2.804 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.293 1.289 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.115 0.563 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.787 0.979 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.766 1.391 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.667 0.047 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.382 -0.278 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.508 2.978 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.828 3.166 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.162 2.743 0.595 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.944 -2.636 1.059 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.277 -3.737 0.296 1.00 0.00 C ATOM 1288 C PHE A 84 -4.038 -4.070 -0.984 1.00 0.00 C ATOM 1289 O PHE A 84 -5.185 -3.699 -1.173 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.324 -4.920 1.265 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.521 -6.115 0.753 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.999 -6.882 -0.323 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.309 -6.477 1.371 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.275 -7.990 -0.782 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.593 -7.591 0.910 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.075 -8.343 -0.166 1.00 0.00 C ATOM 0 H PHE A 84 -4.959 -2.589 0.971 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.268 -3.472 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.933 -4.610 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.360 -5.220 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.931 -6.615 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.931 -5.897 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.646 -8.571 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.335 -7.869 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.518 -9.198 -0.520 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.405 -4.785 -1.860 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.077 -5.171 -3.114 1.00 0.00 C ATOM 1308 C ALA A 85 -3.587 -6.549 -3.553 1.00 0.00 C ATOM 1309 O ALA A 85 -2.528 -6.996 -3.160 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.671 -4.106 -4.127 1.00 0.00 C ATOM 0 H ALA A 85 -2.447 -5.119 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.160 -5.231 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.133 -4.325 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.002 -3.128 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.587 -4.103 -4.237 1.00 0.00 H new ATOM 1316 N THR A 86 -4.346 -7.228 -4.362 1.00 0.00 N ATOM 1317 CA THR A 86 -3.917 -8.581 -4.820 1.00 0.00 C ATOM 1318 C THR A 86 -4.631 -8.950 -6.126 1.00 0.00 C ATOM 1319 O THR A 86 -5.488 -8.228 -6.598 1.00 0.00 O ATOM 1320 CB THR A 86 -4.320 -9.543 -3.696 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.393 -10.862 -4.216 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.683 -9.150 -3.115 1.00 0.00 C ATOM 0 H THR A 86 -5.243 -6.908 -4.727 1.00 0.00 H new ATOM 0 HA THR A 86 -2.846 -8.622 -5.019 1.00 0.00 H new ATOM 0 HB THR A 86 -3.574 -9.493 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.649 -11.482 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.953 -9.844 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.629 -8.139 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.438 -9.188 -3.900 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.287 -10.067 -6.713 1.00 0.00 N ATOM 1331 CA GLY A 87 -4.952 -10.476 -7.985 1.00 0.00 C ATOM 1332 C GLY A 87 -6.458 -10.238 -7.865 1.00 0.00 C ATOM 1333 O GLY A 87 -7.131 -9.946 -8.833 1.00 0.00 O ATOM 0 H GLY A 87 -3.576 -10.712 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.547 -9.905 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.753 -11.528 -8.191 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.986 -10.355 -6.678 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.446 -10.128 -6.480 1.00 0.00 C ATOM 1339 C TYR A 88 -8.688 -8.667 -6.106 1.00 0.00 C ATOM 1340 O TYR A 88 -9.399 -7.947 -6.779 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.830 -11.061 -5.321 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.085 -10.572 -4.620 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -11.053 -9.837 -5.319 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.282 -10.869 -3.265 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -12.211 -9.402 -4.666 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.439 -10.430 -2.612 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.403 -9.698 -3.312 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.546 -9.272 -2.667 1.00 0.00 O ATOM 0 H TYR A 88 -6.468 -10.599 -5.834 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.035 -10.331 -7.374 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.991 -12.070 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.009 -11.116 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.904 -9.606 -6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.540 -11.437 -2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.957 -8.838 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.588 -10.657 -1.567 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.521 -9.563 -1.731 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.111 -8.234 -5.026 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.309 -6.829 -4.583 1.00 0.00 C ATOM 1360 C GLY A 89 -8.888 -6.835 -3.170 1.00 0.00 C ATOM 1361 O GLY A 89 -9.256 -5.809 -2.633 1.00 0.00 O ATOM 0 H GLY A 89 -7.507 -8.795 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.361 -6.291 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.983 -6.310 -5.265 1.00 0.00 H new ATOM 1365 N SER A 90 -8.969 -7.988 -2.558 1.00 0.00 N ATOM 1366 CA SER A 90 -9.521 -8.056 -1.179 1.00 0.00 C ATOM 1367 C SER A 90 -9.572 -9.507 -0.684 1.00 0.00 C ATOM 1368 O SER A 90 -8.836 -10.343 -1.153 1.00 0.00 O ATOM 1369 CB SER A 90 -10.929 -7.467 -1.285 1.00 0.00 C ATOM 1370 OG SER A 90 -11.012 -6.295 -0.483 1.00 0.00 O ATOM 0 H SER A 90 -8.677 -8.881 -2.955 1.00 0.00 H new ATOM 0 HA SER A 90 -8.904 -7.510 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.158 -7.227 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.667 -8.199 -0.957 1.00 0.00 H new ATOM 0 HG SER A 90 -11.946 -6.006 -0.422 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.448 -9.773 0.263 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.635 -11.146 0.865 1.00 0.00 C ATOM 1378 C LYS A 91 -10.964 -10.977 2.346 1.00 0.00 C ATOM 1379 O LYS A 91 -11.547 -11.838 2.973 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.322 -11.929 0.730 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.197 -11.184 1.449 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.623 -12.082 2.549 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.781 -11.397 3.908 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.397 -12.429 4.789 1.00 0.00 N ATOM 0 H LYS A 91 -11.067 -9.067 0.661 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.437 -11.681 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.438 -12.927 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.071 -12.057 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.415 -10.910 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.575 -10.257 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.138 -13.043 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.570 -12.285 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.818 -11.068 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.414 -10.513 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.631 -12.005 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.265 -12.792 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.726 -13.212 4.929 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.578 -9.863 2.903 1.00 0.00 N ATOM 1399 CA GLY A 92 -10.843 -9.600 4.343 1.00 0.00 C ATOM 1400 C GLY A 92 -9.998 -8.405 4.791 1.00 0.00 C ATOM 1401 O GLY A 92 -9.454 -8.386 5.877 1.00 0.00 O ATOM 0 H GLY A 92 -10.084 -9.116 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.902 -9.393 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.598 -10.480 4.938 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.881 -7.408 3.954 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.067 -6.209 4.314 1.00 0.00 C ATOM 1407 C LEU A 93 -9.560 -5.596 5.627 1.00 0.00 C ATOM 1408 O LEU A 93 -10.446 -4.767 5.639 1.00 0.00 O ATOM 1409 CB LEU A 93 -9.284 -5.231 3.157 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.961 -4.552 2.800 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -8.191 -3.564 1.655 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -7.426 -3.800 4.020 1.00 0.00 C ATOM 0 H LEU A 93 -10.316 -7.372 3.032 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.015 -6.456 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.678 -5.761 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.025 -4.482 3.436 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.237 -5.306 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.249 -3.079 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.573 -4.098 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.915 -2.810 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.483 -3.316 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.149 -3.045 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.264 -4.502 4.838 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.987 -5.985 6.733 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.423 -5.405 8.035 1.00 0.00 C ATOM 1426 C ASP A 94 -8.329 -4.481 8.580 1.00 0.00 C ATOM 1427 O ASP A 94 -7.164 -4.825 8.591 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.674 -6.614 8.954 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.396 -6.998 9.709 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.896 -6.169 10.451 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -7.945 -8.119 9.536 1.00 0.00 O ATOM 0 H ASP A 94 -8.239 -6.676 6.792 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.323 -4.795 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.465 -6.378 9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.020 -7.461 8.362 1.00 0.00 H new ATOM 1436 N THR A 95 -8.688 -3.308 9.018 1.00 0.00 N ATOM 1437 CA THR A 95 -7.656 -2.368 9.545 1.00 0.00 C ATOM 1438 C THR A 95 -8.313 -1.078 10.028 1.00 0.00 C ATOM 1439 O THR A 95 -9.521 -0.940 10.021 1.00 0.00 O ATOM 1440 CB THR A 95 -6.745 -2.064 8.349 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.045 -0.851 8.584 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.584 -1.925 7.076 1.00 0.00 C ATOM 0 H THR A 95 -9.646 -2.959 9.035 1.00 0.00 H new ATOM 0 HA THR A 95 -7.111 -2.795 10.387 1.00 0.00 H new ATOM 0 HB THR A 95 -6.035 -2.881 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.096 -0.976 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.930 -1.709 6.231 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.121 -2.855 6.891 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.299 -1.111 7.199 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.524 -0.119 10.421 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.101 1.174 10.871 1.00 0.00 C ATOM 1452 C ARG A 96 -8.641 1.925 9.653 1.00 0.00 C ATOM 1453 O ARG A 96 -9.232 2.980 9.770 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.932 1.931 11.504 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.338 1.086 12.632 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.364 0.959 13.761 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.558 0.752 14.995 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.932 1.304 16.117 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.055 2.601 16.195 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -7.185 0.559 17.158 1.00 0.00 N ATOM 0 H ARG A 96 -6.506 -0.175 10.450 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.924 1.055 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.171 2.143 10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.272 2.891 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.067 0.099 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.424 1.548 13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.979 1.856 13.838 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.040 0.122 13.587 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.714 0.179 14.964 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.859 3.182 15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.347 3.034 17.071 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.090 -0.455 17.095 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.477 0.990 18.035 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.437 1.382 8.479 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.931 2.054 7.247 1.00 0.00 C ATOM 1476 C TYR A 97 -10.382 1.640 6.957 1.00 0.00 C ATOM 1477 O TYR A 97 -11.149 2.417 6.426 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.971 1.592 6.149 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.713 2.427 6.219 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.913 2.378 7.366 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.348 3.254 5.146 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.749 3.151 7.444 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.182 4.027 5.225 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.383 3.975 6.373 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.235 4.737 6.450 1.00 0.00 O ATOM 0 H TYR A 97 -7.948 0.500 8.324 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.947 3.141 7.330 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.731 0.536 6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.439 1.696 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.194 1.742 8.193 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.965 3.295 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.133 3.112 8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.900 4.663 4.399 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.453 4.167 6.298 1.00 0.00 H new ATOM 1495 N SER A 98 -10.762 0.430 7.320 1.00 0.00 N ATOM 1496 CA SER A 98 -12.165 -0.055 7.103 1.00 0.00 C ATOM 1497 C SER A 98 -12.344 -0.617 5.696 1.00 0.00 C ATOM 1498 O SER A 98 -13.311 -0.310 5.033 1.00 0.00 O ATOM 1499 CB SER A 98 -13.084 1.152 7.320 1.00 0.00 C ATOM 1500 OG SER A 98 -14.282 0.725 7.953 1.00 0.00 O ATOM 0 H SER A 98 -10.146 -0.250 7.765 1.00 0.00 H new ATOM 0 HA SER A 98 -12.402 -0.863 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.582 1.900 7.934 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.313 1.625 6.365 1.00 0.00 H new ATOM 0 HG SER A 98 -14.870 1.496 8.094 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.431 -1.453 5.252 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.549 -2.074 3.890 1.00 0.00 C ATOM 1508 C ASN A 99 -11.545 -1.008 2.789 1.00 0.00 C ATOM 1509 O ASN A 99 -10.707 -1.018 1.911 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.887 -2.799 3.924 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.736 -4.109 4.686 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.398 -5.128 4.117 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.973 -4.120 5.966 1.00 0.00 N ATOM 0 H ASN A 99 -10.604 -1.733 5.779 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.713 -2.737 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.640 -2.173 4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.233 -2.994 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.875 -4.986 6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.256 -3.262 6.440 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.481 -0.093 2.859 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.611 1.027 1.864 1.00 0.00 C ATOM 1522 C ILE A 100 -11.642 0.889 0.654 1.00 0.00 C ATOM 1523 O ILE A 100 -11.817 -0.047 -0.101 1.00 0.00 O ATOM 1524 CB ILE A 100 -12.461 2.310 2.696 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -11.507 2.121 3.895 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -13.843 2.659 3.257 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -10.281 1.259 3.537 1.00 0.00 C ATOM 0 H ILE A 100 -13.189 -0.074 3.593 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.575 1.025 1.355 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.053 3.090 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.172 3.097 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.049 1.654 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.774 3.568 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.540 2.818 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.200 1.840 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.641 1.155 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -10.612 0.273 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.722 1.738 2.733 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.670 1.776 0.426 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.814 1.586 -0.776 1.00 0.00 C ATOM 1541 C PRO A 101 -9.051 0.270 -0.780 1.00 0.00 C ATOM 1542 O PRO A 101 -8.454 -0.139 0.196 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.847 2.737 -0.721 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.815 3.129 0.708 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.228 2.991 1.160 1.00 0.00 C ATOM 0 HA PRO A 101 -10.424 1.556 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.859 2.442 -1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.177 3.563 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.149 2.485 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.456 4.151 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.300 2.864 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.826 3.864 0.901 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.053 -0.364 -1.909 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.322 -1.641 -2.086 1.00 0.00 C ATOM 1555 C LEU A 102 -7.980 -1.756 -3.567 1.00 0.00 C ATOM 1556 O LEU A 102 -8.570 -1.071 -4.378 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.295 -2.739 -1.648 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.720 -2.342 -2.040 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.814 -2.239 -3.563 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.703 -3.390 -1.526 1.00 0.00 C ATOM 0 H LEU A 102 -9.545 -0.042 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.400 -1.711 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.027 -3.686 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.231 -2.888 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.968 -1.377 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.828 -1.956 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.113 -1.484 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.568 -3.203 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.717 -3.106 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.464 -4.359 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.631 -3.455 -0.440 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.051 -2.578 -3.966 1.00 0.00 N ATOM 1573 CA LEU A 103 -6.777 -2.612 -5.432 1.00 0.00 C ATOM 1574 C LEU A 103 -5.902 -3.791 -5.871 1.00 0.00 C ATOM 1575 O LEU A 103 -5.828 -4.818 -5.228 1.00 0.00 O ATOM 1576 CB LEU A 103 -6.090 -1.267 -5.713 1.00 0.00 C ATOM 1577 CG LEU A 103 -4.917 -1.053 -4.749 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -3.612 -1.509 -5.407 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -4.814 0.437 -4.412 1.00 0.00 C ATOM 0 H LEU A 103 -6.494 -3.198 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.697 -2.754 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.732 -1.243 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.809 -0.455 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.084 -1.633 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.783 -1.354 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.682 -2.567 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.441 -0.931 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.982 0.598 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.646 1.006 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.740 0.769 -3.943 1.00 0.00 H new ATOM 1591 N THR A 104 -5.268 -3.628 -7.000 1.00 0.00 N ATOM 1592 CA THR A 104 -4.395 -4.681 -7.582 1.00 0.00 C ATOM 1593 C THR A 104 -3.745 -4.113 -8.849 1.00 0.00 C ATOM 1594 O THR A 104 -2.612 -4.411 -9.172 1.00 0.00 O ATOM 1595 CB THR A 104 -5.332 -5.845 -7.914 1.00 0.00 C ATOM 1596 OG1 THR A 104 -4.570 -6.939 -8.403 1.00 0.00 O ATOM 1597 CG2 THR A 104 -6.340 -5.406 -8.976 1.00 0.00 C ATOM 0 H THR A 104 -5.323 -2.777 -7.560 1.00 0.00 H new ATOM 0 HA THR A 104 -3.599 -5.008 -6.913 1.00 0.00 H new ATOM 0 HB THR A 104 -5.867 -6.148 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.016 -7.779 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.006 -6.236 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.925 -4.567 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.809 -5.101 -9.878 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.462 -3.272 -9.553 1.00 0.00 N ATOM 1606 CA LYS A 105 -3.911 -2.646 -10.786 1.00 0.00 C ATOM 1607 C LYS A 105 -3.354 -1.256 -10.445 1.00 0.00 C ATOM 1608 O LYS A 105 -3.516 -0.781 -9.338 1.00 0.00 O ATOM 1609 CB LYS A 105 -5.102 -2.542 -11.738 1.00 0.00 C ATOM 1610 CG LYS A 105 -6.134 -1.577 -11.160 1.00 0.00 C ATOM 1611 CD LYS A 105 -7.310 -2.373 -10.593 1.00 0.00 C ATOM 1612 CE LYS A 105 -8.013 -1.545 -9.520 1.00 0.00 C ATOM 1613 NZ LYS A 105 -9.072 -0.795 -10.249 1.00 0.00 N ATOM 0 H LYS A 105 -5.415 -2.992 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.096 -3.218 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.770 -2.193 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.550 -3.525 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.681 -0.968 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.483 -0.893 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.010 -2.626 -11.389 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.956 -3.313 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.441 -2.182 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.318 -0.867 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.063 0.200 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.894 -0.849 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.001 -1.212 -10.037 1.00 0.00 H new ATOM 1627 N PRO A 106 -2.694 -0.660 -11.400 1.00 0.00 N ATOM 1628 CA PRO A 106 -2.083 0.675 -11.186 1.00 0.00 C ATOM 1629 C PRO A 106 -3.092 1.825 -11.360 1.00 0.00 C ATOM 1630 O PRO A 106 -3.783 1.917 -12.356 1.00 0.00 O ATOM 1631 CB PRO A 106 -1.015 0.741 -12.273 1.00 0.00 C ATOM 1632 CG PRO A 106 -1.483 -0.182 -13.359 1.00 0.00 C ATOM 1633 CD PRO A 106 -2.450 -1.169 -12.751 1.00 0.00 C ATOM 0 HA PRO A 106 -1.699 0.790 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.899 1.758 -12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.044 0.431 -11.887 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.966 0.383 -14.156 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.637 -0.704 -13.806 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -3.374 -1.225 -13.327 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.028 -2.174 -12.726 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.141 2.723 -10.406 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.057 3.913 -10.502 1.00 0.00 C ATOM 1643 C PHE A 107 -5.530 3.494 -10.629 1.00 0.00 C ATOM 1644 O PHE A 107 -5.906 2.397 -10.269 1.00 0.00 O ATOM 1645 CB PHE A 107 -3.622 4.676 -11.768 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.170 4.386 -12.104 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.196 4.417 -11.098 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.806 4.079 -13.422 1.00 0.00 C ATOM 1649 CE1 PHE A 107 0.142 4.143 -11.410 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.468 3.804 -13.734 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.506 3.836 -12.728 1.00 0.00 C ATOM 0 H PHE A 107 -2.581 2.685 -9.554 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.985 4.522 -9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.257 4.390 -12.606 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.757 5.747 -11.616 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.476 4.652 -10.082 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.557 4.054 -14.198 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.893 4.168 -10.634 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.188 3.567 -14.750 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.537 3.624 -12.968 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.352 4.387 -11.150 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.822 4.115 -11.348 1.00 0.00 C ATOM 1663 C LEU A 108 -8.644 4.458 -10.094 1.00 0.00 C ATOM 1664 O LEU A 108 -8.165 5.076 -9.149 1.00 0.00 O ATOM 1665 CB LEU A 108 -7.948 2.621 -11.673 1.00 0.00 C ATOM 1666 CG LEU A 108 -9.129 2.400 -12.621 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -8.640 1.719 -13.902 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.168 1.508 -11.938 1.00 0.00 C ATOM 0 H LEU A 108 -6.057 5.315 -11.453 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.214 4.739 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.028 2.259 -12.132 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.093 2.050 -10.756 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.578 3.362 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.483 1.563 -14.575 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.898 2.351 -14.390 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.190 0.757 -13.654 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.010 1.349 -12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.716 0.548 -11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.519 1.991 -11.026 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.893 4.054 -10.089 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.774 4.331 -8.921 1.00 0.00 C ATOM 1682 C ASP A 109 -10.049 3.963 -7.631 1.00 0.00 C ATOM 1683 O ASP A 109 -10.363 4.448 -6.567 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.002 3.444 -9.125 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.267 4.294 -8.985 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.299 5.371 -9.559 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -14.180 3.855 -8.306 1.00 0.00 O ATOM 0 H ASP A 109 -10.338 3.542 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.049 5.383 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.970 2.979 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.009 2.638 -8.392 1.00 0.00 H new ATOM 1692 N SER A 110 -9.077 3.105 -7.727 1.00 0.00 N ATOM 1693 CA SER A 110 -8.311 2.695 -6.520 1.00 0.00 C ATOM 1694 C SER A 110 -7.658 3.909 -5.856 1.00 0.00 C ATOM 1695 O SER A 110 -7.987 4.282 -4.747 1.00 0.00 O ATOM 1696 CB SER A 110 -7.229 1.778 -7.061 1.00 0.00 C ATOM 1697 OG SER A 110 -7.739 0.457 -7.178 1.00 0.00 O ATOM 0 H SER A 110 -8.777 2.666 -8.597 1.00 0.00 H new ATOM 0 HA SER A 110 -8.947 2.221 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.888 2.135 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.365 1.788 -6.397 1.00 0.00 H new ATOM 0 HG SER A 110 -8.505 0.455 -7.789 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.720 4.518 -6.532 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.020 5.698 -5.956 1.00 0.00 C ATOM 1705 C GLU A 111 -7.034 6.682 -5.382 1.00 0.00 C ATOM 1706 O GLU A 111 -6.950 7.086 -4.230 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.267 6.322 -7.134 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.297 7.390 -6.624 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.386 8.630 -7.517 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -5.437 9.249 -7.534 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.402 8.939 -8.169 1.00 0.00 O ATOM 0 H GLU A 111 -6.408 4.245 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.348 5.427 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.720 5.551 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.974 6.765 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.538 7.653 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.279 7.001 -6.624 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.001 7.078 -6.161 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.992 8.046 -5.601 1.00 0.00 C ATOM 1720 C LEU A 112 -9.656 7.443 -4.369 1.00 0.00 C ATOM 1721 O LEU A 112 -9.684 8.046 -3.314 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.028 8.353 -6.683 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.384 7.119 -7.497 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.859 6.780 -7.262 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -10.160 7.432 -8.980 1.00 0.00 C ATOM 0 H LEU A 112 -8.149 6.788 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.498 8.970 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.929 8.754 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.641 9.126 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.764 6.273 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.126 5.896 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.023 6.583 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.480 7.620 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.411 6.556 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.795 8.268 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.115 7.695 -9.142 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.167 6.251 -4.475 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.792 5.625 -3.282 1.00 0.00 C ATOM 1739 C GLU A 113 -9.766 5.599 -2.160 1.00 0.00 C ATOM 1740 O GLU A 113 -10.058 5.855 -1.008 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.120 4.191 -3.694 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.629 4.038 -3.882 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.909 3.379 -5.232 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.962 2.161 -5.276 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.064 4.103 -6.201 1.00 0.00 O ATOM 0 H GLU A 113 -10.179 5.689 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.678 6.163 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.602 3.942 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.767 3.495 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.047 3.434 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.113 5.013 -3.834 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.559 5.260 -2.510 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.466 5.166 -1.511 1.00 0.00 C ATOM 1754 C ALA A 114 -7.351 6.429 -0.667 1.00 0.00 C ATOM 1755 O ALA A 114 -6.764 6.406 0.396 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.210 4.921 -2.342 1.00 0.00 C ATOM 0 H ALA A 114 -8.280 5.040 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.642 4.369 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.347 4.838 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.323 3.997 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.061 5.753 -3.030 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.880 7.533 -1.102 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.734 8.748 -0.251 1.00 0.00 C ATOM 1764 C VAL A 115 -9.076 9.259 0.308 1.00 0.00 C ATOM 1765 O VAL A 115 -9.151 9.662 1.451 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.082 9.798 -1.155 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.506 10.927 -0.300 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.951 9.152 -1.960 1.00 0.00 C ATOM 0 H VAL A 115 -8.390 7.651 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.134 8.525 0.631 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.833 10.200 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.043 11.673 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.306 11.392 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.758 10.522 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.488 9.901 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.203 8.748 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.355 8.347 -2.574 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.124 9.280 -0.470 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.421 9.810 0.064 1.00 0.00 C ATOM 1780 C LEU A 116 -12.276 8.707 0.705 1.00 0.00 C ATOM 1781 O LEU A 116 -13.277 8.987 1.333 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.130 10.418 -1.150 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.738 9.309 -2.006 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -14.209 9.126 -1.634 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.631 9.692 -3.485 1.00 0.00 C ATOM 0 H LEU A 116 -10.144 8.960 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.254 10.540 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.910 11.104 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.423 11.000 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.200 8.377 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.643 8.335 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -14.287 8.856 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.747 10.057 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.064 8.902 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.170 10.623 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.582 9.824 -3.752 1.00 0.00 H new