USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 501 MET CE :methyl 179:sc= -0.466 (180deg=-0.453) USER MOD Set 1.2: B 502 THR OG1 : rot 21:sc= -0.0394 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.283! K(o=-7!,f=-7.9) USER MOD Set 2.2: A 102 GLN : amide:sc= -6.69! C(o=-7!,f=-11!) USER MOD Set 3.1: A 54 SER OG : rot 180:sc= -0.116 USER MOD Set 3.2: A 56 LYS NZ :NH3+ 134:sc= 0.142 (180deg=-2.85!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-11!) USER MOD Set 5.1: A 20 LYS NZ :NH3+ -169:sc= 0.643 (180deg=0.262) USER MOD Set 5.2: A 48 TYR OH : rot 49:sc= 1.23 USER MOD Single : A 19 ASN : amide:sc= 0.325 K(o=0.32,f=-0.44) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0521 (180deg=-0.325) USER MOD Single : A 25 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.84) USER MOD Single : A 31 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.3!) USER MOD Single : A 35 SER OG : rot 32:sc= 0.0156 USER MOD Single : A 38 MET CE :methyl 160:sc= -10.6! (180deg=-13.4!) USER MOD Single : A 41 THR OG1 : rot -54:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot -84:sc= -1.69! USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 0.776 (180deg=-1.45!) USER MOD Single : A 59 TYR OH : rot 66:sc= -2.06! USER MOD Single : A 61 CYS SG : rot 180:sc= -0.159 USER MOD Single : A 65 TYR OH : rot -97:sc= 0.574 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 89:sc= 1.29 USER MOD Single : A 70 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.6!) USER MOD Single : A 73 SER OG : rot 51:sc= -4.06! USER MOD Single : A 76 SER OG : rot 16:sc= 0.119 USER MOD Single : A 90 LYS NZ :NH3+ -156:sc= 0.27 (180deg=-1.33!) USER MOD Single : A 91 CYS SG : rot 65:sc= -4.26! USER MOD Single : A 100 MET CE :methyl -177:sc= -4.12! (180deg=-4.25!) USER MOD Single : A 105 MET CE :methyl -118:sc= -4.91! (180deg=-9.48!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.216 F(o=-3.2!,f=-0.22) USER MOD Single : A 107 ASN : amide:sc= 1.26 K(o=1.3,f=-0.094) USER MOD Single : A 108 ASN :FLIP amide:sc= -5.82! C(o=-8.2!,f=-5.8!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.7!) USER MOD Single : B 511 GLN : amide:sc= -4.61! C(o=-4.6!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.450 12.170 -0.155 1.00 0.00 N ATOM 174 CA ASN A 19 -1.095 10.869 0.368 1.00 0.00 C ATOM 175 C ASN A 19 -2.179 10.321 1.299 1.00 0.00 C ATOM 176 O ASN A 19 -2.312 9.109 1.454 1.00 0.00 O ATOM 177 CB ASN A 19 0.256 10.944 1.091 1.00 0.00 C ATOM 178 CG ASN A 19 0.130 11.291 2.561 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.132 12.460 2.942 1.00 0.00 O ATOM 180 ND2 ASN A 19 0.049 10.273 3.396 1.00 0.00 N ATOM 0 HA ASN A 19 -1.010 10.179 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.766 9.986 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.882 11.690 0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.015 10.441 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.051 9.318 3.038 1.00 0.00 H new ATOM 187 N LYS A 20 -2.952 11.206 1.913 1.00 0.00 N ATOM 188 CA LYS A 20 -4.017 10.776 2.809 1.00 0.00 C ATOM 189 C LYS A 20 -5.265 10.460 2.016 1.00 0.00 C ATOM 190 O LYS A 20 -5.977 11.362 1.566 1.00 0.00 O ATOM 191 CB LYS A 20 -4.325 11.872 3.820 1.00 0.00 C ATOM 192 CG LYS A 20 -4.095 11.432 5.244 1.00 0.00 C ATOM 193 CD LYS A 20 -5.126 10.428 5.703 1.00 0.00 C ATOM 194 CE LYS A 20 -5.229 10.336 7.221 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.206 11.147 7.925 1.00 0.00 N ATOM 0 H LYS A 20 -2.864 12.217 1.809 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.688 9.881 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.703 12.742 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.362 12.186 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.100 10.995 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.120 12.302 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.099 10.701 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.875 9.447 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.221 10.664 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.128 9.294 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.204 10.902 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.268 10.951 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.427 12.157 7.814 1.00 0.00 H new ATOM 209 N PHE A 21 -5.540 9.185 1.869 1.00 0.00 N ATOM 210 CA PHE A 21 -6.734 8.756 1.149 1.00 0.00 C ATOM 211 C PHE A 21 -7.650 7.916 2.002 1.00 0.00 C ATOM 212 O PHE A 21 -7.242 6.907 2.545 1.00 0.00 O ATOM 213 CB PHE A 21 -6.354 7.967 -0.099 1.00 0.00 C ATOM 214 CG PHE A 21 -5.875 8.819 -1.229 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.281 10.140 -1.369 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.010 8.293 -2.153 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.817 10.905 -2.416 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.545 9.043 -3.187 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.943 10.352 -3.327 1.00 0.00 C ATOM 0 H PHE A 21 -4.963 8.426 2.232 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.269 9.664 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.574 7.250 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.218 7.392 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.965 10.570 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.692 7.265 -2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.136 11.931 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.861 8.609 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.571 10.945 -4.149 1.00 0.00 H new ATOM 229 N LYS A 22 -8.890 8.340 2.122 1.00 0.00 N ATOM 230 CA LYS A 22 -9.911 7.490 2.700 1.00 0.00 C ATOM 231 C LYS A 22 -10.172 6.302 1.782 1.00 0.00 C ATOM 232 O LYS A 22 -10.496 6.471 0.607 1.00 0.00 O ATOM 233 CB LYS A 22 -11.201 8.269 2.934 1.00 0.00 C ATOM 234 CG LYS A 22 -11.345 8.830 4.334 1.00 0.00 C ATOM 235 CD LYS A 22 -11.469 7.737 5.387 1.00 0.00 C ATOM 236 CE LYS A 22 -12.776 6.972 5.277 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.963 7.855 5.425 1.00 0.00 N ATOM 0 H LYS A 22 -9.215 9.262 1.830 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.555 7.128 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.250 9.090 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.049 7.616 2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.482 9.455 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.224 9.473 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.635 7.042 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.394 8.182 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.819 6.469 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.806 6.196 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.808 7.274 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.817 8.501 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.095 8.408 4.554 1.00 0.00 H new ATOM 251 N VAL A 23 -9.978 5.108 2.310 1.00 0.00 N ATOM 252 CA VAL A 23 -10.278 3.889 1.596 1.00 0.00 C ATOM 253 C VAL A 23 -11.422 3.171 2.298 1.00 0.00 C ATOM 254 O VAL A 23 -12.025 3.704 3.225 1.00 0.00 O ATOM 255 CB VAL A 23 -9.039 2.965 1.537 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.860 3.695 0.929 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.678 2.463 2.916 1.00 0.00 C ATOM 0 H VAL A 23 -9.607 4.960 3.248 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.564 4.140 0.575 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.287 2.110 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.998 3.029 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.112 4.014 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.621 4.568 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.804 1.815 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.454 3.310 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.516 1.901 3.330 1.00 0.00 H new ATOM 267 N ILE A 24 -11.745 1.988 1.845 1.00 0.00 N ATOM 268 CA ILE A 24 -12.708 1.158 2.534 1.00 0.00 C ATOM 269 C ILE A 24 -12.136 -0.240 2.696 1.00 0.00 C ATOM 270 O ILE A 24 -12.055 -0.969 1.720 1.00 0.00 O ATOM 271 CB ILE A 24 -14.019 1.048 1.747 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.729 2.376 1.573 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.951 0.113 2.443 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.646 2.367 0.370 1.00 0.00 C ATOM 0 H ILE A 24 -11.355 1.573 0.999 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.913 1.616 3.502 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.747 0.680 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.307 2.600 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.992 3.171 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.881 0.039 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.491 -0.873 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.163 0.489 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.137 3.336 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.064 2.169 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.400 1.589 0.493 1.00 0.00 H new ATOM 286 N ASN A 25 -11.725 -0.636 3.893 1.00 0.00 N ATOM 287 CA ASN A 25 -11.167 -1.970 4.034 1.00 0.00 C ATOM 288 C ASN A 25 -12.270 -3.012 3.827 1.00 0.00 C ATOM 289 O ASN A 25 -13.230 -3.109 4.601 1.00 0.00 O ATOM 290 CB ASN A 25 -10.406 -2.182 5.362 1.00 0.00 C ATOM 291 CG ASN A 25 -11.205 -1.890 6.615 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.209 -0.760 7.111 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.855 -2.908 7.157 1.00 0.00 N ATOM 0 H ASN A 25 -11.764 -0.079 4.746 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.411 -2.094 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.060 -3.215 5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.519 -1.548 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.386 -2.774 8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.825 -3.826 6.714 1.00 0.00 H new ATOM 300 N VAL A 26 -12.127 -3.759 2.740 1.00 0.00 N ATOM 301 CA VAL A 26 -13.166 -4.649 2.240 1.00 0.00 C ATOM 302 C VAL A 26 -12.590 -6.049 2.033 1.00 0.00 C ATOM 303 O VAL A 26 -11.545 -6.204 1.404 1.00 0.00 O ATOM 304 CB VAL A 26 -13.723 -4.095 0.905 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.484 -2.805 1.150 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.616 -3.839 -0.093 1.00 0.00 C ATOM 0 H VAL A 26 -11.278 -3.764 2.175 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.977 -4.707 2.966 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.394 -4.848 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.871 -2.425 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.314 -2.996 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.815 -2.066 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.043 -3.451 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.917 -3.111 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.089 -4.771 -0.299 1.00 0.00 H new ATOM 316 N ASP A 27 -13.250 -7.078 2.550 1.00 0.00 N ATOM 317 CA ASP A 27 -12.680 -8.418 2.455 1.00 0.00 C ATOM 318 C ASP A 27 -13.561 -9.393 1.695 1.00 0.00 C ATOM 319 O ASP A 27 -14.735 -9.561 2.014 1.00 0.00 O ATOM 320 CB ASP A 27 -12.376 -9.002 3.834 1.00 0.00 C ATOM 321 CG ASP A 27 -11.151 -8.400 4.488 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.025 -8.806 4.127 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.308 -7.561 5.399 1.00 0.00 O ATOM 0 H ASP A 27 -14.151 -7.018 3.025 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.754 -8.291 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.238 -8.847 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.236 -10.079 3.741 1.00 0.00 H new ATOM 328 N ASP A 28 -12.946 -10.022 0.685 1.00 0.00 N ATOM 329 CA ASP A 28 -13.505 -11.154 -0.090 1.00 0.00 C ATOM 330 C ASP A 28 -14.902 -10.891 -0.673 1.00 0.00 C ATOM 331 O ASP A 28 -15.485 -11.757 -1.322 1.00 0.00 O ATOM 332 CB ASP A 28 -13.536 -12.412 0.785 1.00 0.00 C ATOM 333 CG ASP A 28 -13.703 -13.688 -0.020 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.718 -14.131 -0.649 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.808 -14.268 -0.014 1.00 0.00 O ATOM 0 H ASP A 28 -12.014 -9.753 0.369 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.844 -11.291 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.613 -12.470 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.354 -12.330 1.501 1.00 0.00 H new ATOM 340 N ASP A 29 -15.413 -9.689 -0.492 1.00 0.00 N ATOM 341 CA ASP A 29 -16.723 -9.323 -1.014 1.00 0.00 C ATOM 342 C ASP A 29 -16.678 -7.902 -1.547 1.00 0.00 C ATOM 343 O ASP A 29 -17.631 -7.410 -2.148 1.00 0.00 O ATOM 344 CB ASP A 29 -17.792 -9.410 0.079 1.00 0.00 C ATOM 345 CG ASP A 29 -17.985 -10.811 0.620 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.591 -11.649 -0.079 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.549 -11.075 1.756 1.00 0.00 O ATOM 0 H ASP A 29 -14.940 -8.942 0.016 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.979 -10.019 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.518 -8.746 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.740 -9.049 -0.320 1.00 0.00 H new ATOM 352 N GLY A 30 -15.541 -7.249 -1.322 1.00 0.00 N ATOM 353 CA GLY A 30 -15.437 -5.823 -1.560 1.00 0.00 C ATOM 354 C GLY A 30 -16.374 -5.094 -0.636 1.00 0.00 C ATOM 355 O GLY A 30 -16.789 -3.970 -0.900 1.00 0.00 O ATOM 0 H GLY A 30 -14.687 -7.687 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.413 -5.489 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.683 -5.597 -2.598 1.00 0.00 H new ATOM 359 N ASN A 31 -16.700 -5.763 0.463 1.00 0.00 N ATOM 360 CA ASN A 31 -17.646 -5.246 1.427 1.00 0.00 C ATOM 361 C ASN A 31 -16.944 -4.378 2.425 1.00 0.00 C ATOM 362 O ASN A 31 -15.974 -4.820 3.030 1.00 0.00 O ATOM 363 CB ASN A 31 -18.348 -6.385 2.166 1.00 0.00 C ATOM 364 CG ASN A 31 -19.584 -5.913 2.908 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.198 -4.910 2.549 1.00 0.00 O ATOM 366 ND2 ASN A 31 -19.971 -6.644 3.941 1.00 0.00 N ATOM 0 H ASN A 31 -16.314 -6.676 0.705 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.389 -4.660 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.629 -7.160 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.654 -6.839 2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.804 -6.381 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.437 -7.470 4.210 1.00 0.00 H new ATOM 373 N GLU A 32 -17.398 -3.133 2.536 1.00 0.00 N ATOM 374 CA GLU A 32 -16.892 -2.208 3.531 1.00 0.00 C ATOM 375 C GLU A 32 -16.953 -2.818 4.937 1.00 0.00 C ATOM 376 O GLU A 32 -17.876 -2.542 5.702 1.00 0.00 O ATOM 377 CB GLU A 32 -17.725 -0.919 3.520 1.00 0.00 C ATOM 378 CG GLU A 32 -18.089 -0.428 2.127 1.00 0.00 C ATOM 379 CD GLU A 32 -19.019 0.764 2.140 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.133 1.433 3.186 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.639 1.039 1.089 1.00 0.00 O ATOM 0 H GLU A 32 -18.126 -2.743 1.937 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.853 -1.990 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.641 -1.086 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.170 -0.136 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.177 -0.163 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.559 -1.241 1.573 1.00 0.00 H new ATOM 388 N LEU A 33 -15.964 -3.629 5.276 1.00 0.00 N ATOM 389 CA LEU A 33 -15.856 -4.227 6.604 1.00 0.00 C ATOM 390 C LEU A 33 -15.158 -3.238 7.515 1.00 0.00 C ATOM 391 O LEU A 33 -14.347 -3.584 8.377 1.00 0.00 O ATOM 392 CB LEU A 33 -15.092 -5.547 6.514 1.00 0.00 C ATOM 393 CG LEU A 33 -15.948 -6.795 6.254 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.216 -6.434 5.524 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.183 -7.791 5.416 1.00 0.00 C ATOM 0 H LEU A 33 -15.211 -3.894 4.641 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.842 -4.448 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.352 -5.464 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.544 -5.692 7.445 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.196 -7.232 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.805 -7.334 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.794 -5.731 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.967 -5.975 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.803 -8.670 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.919 -7.336 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.275 -8.086 5.941 1.00 0.00 H new ATOM 407 N GLY A 34 -15.520 -1.999 7.287 1.00 0.00 N ATOM 408 CA GLY A 34 -14.862 -0.870 7.871 1.00 0.00 C ATOM 409 C GLY A 34 -14.289 -0.025 6.767 1.00 0.00 C ATOM 410 O GLY A 34 -13.650 -0.547 5.865 1.00 0.00 O ATOM 0 H GLY A 34 -16.298 -1.749 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.566 -0.288 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.071 -1.200 8.545 1.00 0.00 H new ATOM 414 N SER A 35 -14.562 1.253 6.758 1.00 0.00 N ATOM 415 CA SER A 35 -13.940 2.093 5.770 1.00 0.00 C ATOM 416 C SER A 35 -12.843 2.916 6.423 1.00 0.00 C ATOM 417 O SER A 35 -13.082 3.660 7.374 1.00 0.00 O ATOM 418 CB SER A 35 -14.976 2.936 5.021 1.00 0.00 C ATOM 419 OG SER A 35 -15.791 3.683 5.914 1.00 0.00 O ATOM 0 H SER A 35 -15.194 1.725 7.405 1.00 0.00 H new ATOM 0 HA SER A 35 -13.469 1.474 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.467 3.616 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.604 2.285 4.413 1.00 0.00 H new ATOM 0 HG SER A 35 -15.270 3.924 6.708 1.00 0.00 H new ATOM 425 N GLY A 36 -11.634 2.741 5.919 1.00 0.00 N ATOM 426 CA GLY A 36 -10.458 3.246 6.588 1.00 0.00 C ATOM 427 C GLY A 36 -9.792 4.362 5.819 1.00 0.00 C ATOM 428 O GLY A 36 -10.343 4.885 4.868 1.00 0.00 O ATOM 0 H GLY A 36 -11.445 2.250 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.734 3.606 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.747 2.432 6.731 1.00 0.00 H new ATOM 432 N ILE A 37 -8.613 4.739 6.250 1.00 0.00 N ATOM 433 CA ILE A 37 -7.739 5.580 5.460 1.00 0.00 C ATOM 434 C ILE A 37 -6.674 4.700 4.856 1.00 0.00 C ATOM 435 O ILE A 37 -6.514 3.576 5.261 1.00 0.00 O ATOM 436 CB ILE A 37 -7.025 6.658 6.322 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.008 7.688 6.879 1.00 0.00 C ATOM 438 CG2 ILE A 37 -5.954 7.381 5.515 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.379 8.778 5.892 1.00 0.00 C ATOM 0 H ILE A 37 -8.230 4.473 7.157 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.343 6.086 4.707 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.562 6.131 7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.916 7.175 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.574 8.148 7.767 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.470 8.130 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.211 6.662 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.414 7.869 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.079 9.470 6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.481 9.318 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.844 8.331 5.013 1.00 0.00 H new ATOM 451 N MET A 38 -5.967 5.216 3.904 1.00 0.00 N ATOM 452 CA MET A 38 -4.754 4.627 3.456 1.00 0.00 C ATOM 453 C MET A 38 -3.774 5.753 3.210 1.00 0.00 C ATOM 454 O MET A 38 -3.767 6.405 2.166 1.00 0.00 O ATOM 455 CB MET A 38 -4.976 3.766 2.245 1.00 0.00 C ATOM 456 CG MET A 38 -3.780 2.950 1.905 1.00 0.00 C ATOM 457 SD MET A 38 -3.374 1.797 3.207 1.00 0.00 S ATOM 458 CE MET A 38 -4.988 1.063 3.382 1.00 0.00 C ATOM 0 H MET A 38 -6.222 6.071 3.410 1.00 0.00 H new ATOM 0 HA MET A 38 -4.347 3.952 4.209 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.825 3.106 2.422 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.235 4.398 1.395 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.963 2.404 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.930 3.608 1.724 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.896 0.095 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.622 1.717 3.981 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.435 0.928 2.397 1.00 0.00 H new ATOM 468 N GLU A 39 -3.016 6.007 4.248 1.00 0.00 N ATOM 469 CA GLU A 39 -2.086 7.101 4.328 1.00 0.00 C ATOM 470 C GLU A 39 -0.810 6.728 3.591 1.00 0.00 C ATOM 471 O GLU A 39 0.030 6.000 4.126 1.00 0.00 O ATOM 472 CB GLU A 39 -1.776 7.251 5.790 1.00 0.00 C ATOM 473 CG GLU A 39 -0.779 8.314 6.170 1.00 0.00 C ATOM 474 CD GLU A 39 -1.425 9.645 6.437 1.00 0.00 C ATOM 475 OE1 GLU A 39 -2.027 9.809 7.520 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.333 10.531 5.574 1.00 0.00 O ATOM 0 H GLU A 39 -3.032 5.434 5.092 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.489 8.015 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.709 7.458 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.408 6.294 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.234 7.994 7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.048 8.424 5.369 1.00 0.00 H new ATOM 483 N LEU A 40 -0.663 7.189 2.376 1.00 0.00 N ATOM 484 CA LEU A 40 0.460 6.784 1.569 1.00 0.00 C ATOM 485 C LEU A 40 1.707 7.602 1.845 1.00 0.00 C ATOM 486 O LEU A 40 1.950 8.612 1.197 1.00 0.00 O ATOM 487 CB LEU A 40 0.095 6.890 0.110 1.00 0.00 C ATOM 488 CG LEU A 40 -0.253 5.577 -0.556 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.579 5.852 -1.986 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.915 4.609 -0.461 1.00 0.00 C ATOM 0 H LEU A 40 -1.303 7.842 1.925 1.00 0.00 H new ATOM 0 HA LEU A 40 0.691 5.751 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.753 7.567 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.929 7.343 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.108 5.122 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.833 4.918 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.426 6.536 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.284 6.303 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.649 3.669 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.785 5.039 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.150 4.424 0.587 1.00 0.00 H new ATOM 502 N THR A 41 2.512 7.163 2.789 1.00 0.00 N ATOM 503 CA THR A 41 3.749 7.855 3.065 1.00 0.00 C ATOM 504 C THR A 41 4.939 7.115 2.472 1.00 0.00 C ATOM 505 O THR A 41 4.769 6.204 1.659 1.00 0.00 O ATOM 506 CB THR A 41 3.976 8.069 4.559 1.00 0.00 C ATOM 507 OG1 THR A 41 4.141 6.817 5.241 1.00 0.00 O ATOM 508 CG2 THR A 41 2.822 8.842 5.165 1.00 0.00 C ATOM 0 H THR A 41 2.335 6.343 3.369 1.00 0.00 H new ATOM 0 HA THR A 41 3.661 8.834 2.593 1.00 0.00 H new ATOM 0 HB THR A 41 4.892 8.648 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.375 6.237 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.000 8.986 6.231 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.738 9.813 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.896 8.284 5.024 1.00 0.00 H new ATOM 516 N ASP A 42 6.132 7.521 2.895 1.00 0.00 N ATOM 517 CA ASP A 42 7.390 6.980 2.394 1.00 0.00 C ATOM 518 C ASP A 42 7.435 5.482 2.431 1.00 0.00 C ATOM 519 O ASP A 42 7.741 4.842 1.432 1.00 0.00 O ATOM 520 CB ASP A 42 8.559 7.510 3.223 1.00 0.00 C ATOM 521 CG ASP A 42 8.710 9.016 3.148 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.712 9.733 3.389 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.824 9.496 2.862 1.00 0.00 O ATOM 0 H ASP A 42 6.253 8.244 3.604 1.00 0.00 H new ATOM 0 HA ASP A 42 7.467 7.301 1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.420 7.217 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.481 7.041 2.880 1.00 0.00 H new ATOM 528 N THR A 43 7.154 4.911 3.571 1.00 0.00 N ATOM 529 CA THR A 43 7.345 3.499 3.705 1.00 0.00 C ATOM 530 C THR A 43 6.164 2.816 4.351 1.00 0.00 C ATOM 531 O THR A 43 6.057 1.606 4.288 1.00 0.00 O ATOM 532 CB THR A 43 8.581 3.177 4.544 1.00 0.00 C ATOM 533 OG1 THR A 43 8.338 3.476 5.925 1.00 0.00 O ATOM 534 CG2 THR A 43 9.790 3.964 4.078 1.00 0.00 C ATOM 0 H THR A 43 6.801 5.390 4.399 1.00 0.00 H new ATOM 0 HA THR A 43 7.468 3.127 2.688 1.00 0.00 H new ATOM 0 HB THR A 43 8.786 2.113 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.137 3.264 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.650 3.710 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.006 3.718 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.584 5.031 4.163 1.00 0.00 H new ATOM 542 N GLU A 44 5.309 3.559 5.016 1.00 0.00 N ATOM 543 CA GLU A 44 4.175 2.940 5.660 1.00 0.00 C ATOM 544 C GLU A 44 2.863 3.462 5.123 1.00 0.00 C ATOM 545 O GLU A 44 2.605 4.666 5.083 1.00 0.00 O ATOM 546 CB GLU A 44 4.242 3.085 7.175 1.00 0.00 C ATOM 547 CG GLU A 44 4.788 1.851 7.865 1.00 0.00 C ATOM 548 CD GLU A 44 5.054 2.059 9.339 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.049 2.728 9.684 1.00 0.00 O ATOM 550 OE2 GLU A 44 4.278 1.536 10.163 1.00 0.00 O ATOM 0 H GLU A 44 5.374 4.571 5.124 1.00 0.00 H new ATOM 0 HA GLU A 44 4.223 1.877 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.868 3.941 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.244 3.297 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.080 1.031 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.713 1.549 7.375 1.00 0.00 H new ATOM 557 N LEU A 45 2.063 2.519 4.690 1.00 0.00 N ATOM 558 CA LEU A 45 0.717 2.761 4.248 1.00 0.00 C ATOM 559 C LEU A 45 -0.209 2.744 5.450 1.00 0.00 C ATOM 560 O LEU A 45 -0.711 1.700 5.853 1.00 0.00 O ATOM 561 CB LEU A 45 0.352 1.667 3.245 1.00 0.00 C ATOM 562 CG LEU A 45 0.567 1.999 1.792 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.995 0.764 1.032 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.712 2.510 1.215 1.00 0.00 C ATOM 0 H LEU A 45 2.339 1.539 4.635 1.00 0.00 H new ATOM 0 HA LEU A 45 0.622 3.734 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.934 0.776 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.698 1.409 3.386 1.00 0.00 H new ATOM 0 HG LEU A 45 1.347 2.756 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.147 1.017 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.926 0.383 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.221 0.001 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.565 2.753 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.484 1.746 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.022 3.405 1.754 1.00 0.00 H new ATOM 576 N ILE A 46 -0.415 3.912 6.024 1.00 0.00 N ATOM 577 CA ILE A 46 -1.123 4.022 7.283 1.00 0.00 C ATOM 578 C ILE A 46 -2.638 3.999 7.050 1.00 0.00 C ATOM 579 O ILE A 46 -3.271 5.013 6.776 1.00 0.00 O ATOM 580 CB ILE A 46 -0.674 5.285 8.060 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.846 5.367 7.992 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.163 5.196 9.468 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.551 4.778 9.157 1.00 0.00 C ATOM 0 H ILE A 46 -0.101 4.802 5.637 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.873 3.160 7.902 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.094 6.191 7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.183 4.862 7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.136 6.414 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.849 6.083 10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.251 5.132 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.746 4.308 9.943 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.628 4.882 9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.248 5.297 10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.296 3.722 9.240 1.00 0.00 H new ATOM 595 N LEU A 47 -3.201 2.814 7.154 1.00 0.00 N ATOM 596 CA LEU A 47 -4.635 2.606 6.958 1.00 0.00 C ATOM 597 C LEU A 47 -5.388 3.032 8.220 1.00 0.00 C ATOM 598 O LEU A 47 -5.328 2.342 9.232 1.00 0.00 O ATOM 599 CB LEU A 47 -4.938 1.125 6.742 1.00 0.00 C ATOM 600 CG LEU A 47 -6.401 0.702 6.970 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.279 0.920 5.747 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.433 -0.746 7.349 1.00 0.00 C ATOM 0 H LEU A 47 -2.685 1.963 7.376 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.943 3.189 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.657 0.861 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.303 0.542 7.409 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.802 1.328 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.298 0.603 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.277 1.977 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.892 0.336 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.465 -1.056 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.998 -1.342 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.859 -0.895 8.264 1.00 0.00 H new ATOM 614 N TYR A 48 -6.106 4.135 8.193 1.00 0.00 N ATOM 615 CA TYR A 48 -6.825 4.546 9.400 1.00 0.00 C ATOM 616 C TYR A 48 -8.167 3.851 9.443 1.00 0.00 C ATOM 617 O TYR A 48 -9.114 4.322 8.832 1.00 0.00 O ATOM 618 CB TYR A 48 -7.062 6.055 9.469 1.00 0.00 C ATOM 619 CG TYR A 48 -5.826 6.861 9.668 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.767 6.639 8.855 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.724 7.843 10.644 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.623 7.345 8.968 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.563 8.576 10.782 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.505 8.321 9.935 1.00 0.00 C ATOM 625 OH TYR A 48 -2.341 9.044 10.051 1.00 0.00 O ATOM 0 H TYR A 48 -6.212 4.749 7.386 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.201 4.267 10.249 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.547 6.377 8.548 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.754 6.265 10.284 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.840 5.875 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.560 8.035 11.300 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.798 7.145 8.300 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.484 9.339 11.543 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.071 9.374 9.168 1.00 0.00 H new ATOM 635 N THR A 49 -8.271 2.764 10.182 1.00 0.00 N ATOM 636 CA THR A 49 -9.512 2.003 10.216 1.00 0.00 C ATOM 637 C THR A 49 -10.604 2.770 10.954 1.00 0.00 C ATOM 638 O THR A 49 -10.403 3.922 11.345 1.00 0.00 O ATOM 639 CB THR A 49 -9.317 0.657 10.887 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.582 0.840 12.087 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.598 -0.302 9.967 1.00 0.00 C ATOM 0 H THR A 49 -7.522 2.388 10.763 1.00 0.00 H new ATOM 0 HA THR A 49 -9.815 1.845 9.181 1.00 0.00 H new ATOM 0 HB THR A 49 -10.291 0.227 11.119 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.623 0.851 11.885 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.469 -1.261 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.184 -0.444 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.621 0.106 9.708 1.00 0.00 H new ATOM 649 N ARG A 50 -11.746 2.137 11.166 1.00 0.00 N ATOM 650 CA ARG A 50 -12.815 2.772 11.910 1.00 0.00 C ATOM 651 C ARG A 50 -12.440 2.891 13.377 1.00 0.00 C ATOM 652 O ARG A 50 -12.219 3.984 13.892 1.00 0.00 O ATOM 653 CB ARG A 50 -14.108 1.984 11.774 1.00 0.00 C ATOM 654 CG ARG A 50 -15.237 2.787 11.155 1.00 0.00 C ATOM 655 CD ARG A 50 -15.565 4.027 11.973 1.00 0.00 C ATOM 656 NE ARG A 50 -14.623 5.117 11.711 1.00 0.00 N ATOM 657 CZ ARG A 50 -14.585 6.262 12.388 1.00 0.00 C ATOM 658 NH1 ARG A 50 -15.474 6.511 13.343 1.00 0.00 N ATOM 659 NH2 ARG A 50 -13.653 7.164 12.103 1.00 0.00 N ATOM 0 H ARG A 50 -11.953 1.194 10.837 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.967 3.769 11.498 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.924 1.099 11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.418 1.634 12.759 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.960 3.082 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.125 2.161 11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.577 4.358 11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.546 3.778 13.034 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.949 4.990 10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.193 5.822 13.562 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.437 7.391 13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.971 6.978 11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.620 8.043 12.619 1.00 0.00 H new ATOM 673 N LYS A 51 -12.381 1.754 14.041 1.00 0.00 N ATOM 674 CA LYS A 51 -12.071 1.699 15.458 1.00 0.00 C ATOM 675 C LYS A 51 -10.787 0.927 15.731 1.00 0.00 C ATOM 676 O LYS A 51 -10.245 0.969 16.833 1.00 0.00 O ATOM 677 CB LYS A 51 -13.258 1.124 16.189 1.00 0.00 C ATOM 678 CG LYS A 51 -14.429 2.090 16.204 1.00 0.00 C ATOM 679 CD LYS A 51 -14.256 3.131 17.293 1.00 0.00 C ATOM 680 CE LYS A 51 -13.571 4.396 16.810 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.166 4.934 15.562 1.00 0.00 N ATOM 0 H LYS A 51 -12.546 0.842 13.615 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.884 2.707 15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.562 0.191 15.713 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.973 0.882 17.213 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.513 2.582 15.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.357 1.541 16.364 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.234 3.388 17.699 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.675 2.700 18.109 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.628 5.155 17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.514 4.190 16.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.211 5.972 15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.579 4.656 14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.126 4.552 15.442 1.00 0.00 H new ATOM 695 N ARG A 52 -10.297 0.237 14.711 1.00 0.00 N ATOM 696 CA ARG A 52 -9.078 -0.563 14.818 1.00 0.00 C ATOM 697 C ARG A 52 -7.834 0.339 14.882 1.00 0.00 C ATOM 698 O ARG A 52 -6.719 -0.132 15.133 1.00 0.00 O ATOM 699 CB ARG A 52 -9.019 -1.528 13.619 1.00 0.00 C ATOM 700 CG ARG A 52 -7.704 -2.270 13.433 1.00 0.00 C ATOM 701 CD ARG A 52 -7.511 -3.351 14.482 1.00 0.00 C ATOM 702 NE ARG A 52 -8.295 -4.541 14.163 1.00 0.00 N ATOM 703 CZ ARG A 52 -7.874 -5.789 14.356 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.730 -6.023 14.987 1.00 0.00 N ATOM 705 NH2 ARG A 52 -8.615 -6.805 13.944 1.00 0.00 N ATOM 0 H ARG A 52 -10.729 0.214 13.787 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.093 -1.141 15.742 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.817 -2.262 13.728 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.228 -0.963 12.711 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.678 -2.719 12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.877 -1.562 13.485 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.455 -3.614 14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.805 -2.970 15.460 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.225 -4.407 13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.167 -5.244 15.328 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.414 -6.982 15.131 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.506 -6.631 13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.295 -7.762 14.091 1.00 0.00 H new ATOM 719 N ASP A 53 -8.057 1.643 14.684 1.00 0.00 N ATOM 720 CA ASP A 53 -7.005 2.651 14.685 1.00 0.00 C ATOM 721 C ASP A 53 -6.097 2.528 13.464 1.00 0.00 C ATOM 722 O ASP A 53 -6.191 1.572 12.694 1.00 0.00 O ATOM 723 CB ASP A 53 -6.243 2.581 16.007 1.00 0.00 C ATOM 724 CG ASP A 53 -4.855 3.185 15.980 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.744 4.427 16.069 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.870 2.424 15.877 1.00 0.00 O ATOM 0 H ASP A 53 -8.987 2.027 14.517 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.455 3.641 14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.829 3.089 16.774 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.162 1.536 16.307 1.00 0.00 H new ATOM 731 N SER A 54 -5.271 3.538 13.266 1.00 0.00 N ATOM 732 CA SER A 54 -4.353 3.597 12.141 1.00 0.00 C ATOM 733 C SER A 54 -3.486 2.352 12.064 1.00 0.00 C ATOM 734 O SER A 54 -2.497 2.205 12.777 1.00 0.00 O ATOM 735 CB SER A 54 -3.485 4.852 12.209 1.00 0.00 C ATOM 736 OG SER A 54 -2.985 5.069 13.518 1.00 0.00 O ATOM 0 H SER A 54 -5.217 4.347 13.885 1.00 0.00 H new ATOM 0 HA SER A 54 -4.953 3.643 11.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.653 4.758 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.069 5.717 11.894 1.00 0.00 H new ATOM 0 HG SER A 54 -2.433 5.878 13.527 1.00 0.00 H new ATOM 742 N VAL A 55 -3.898 1.462 11.194 1.00 0.00 N ATOM 743 CA VAL A 55 -3.112 0.310 10.807 1.00 0.00 C ATOM 744 C VAL A 55 -2.067 0.792 9.824 1.00 0.00 C ATOM 745 O VAL A 55 -2.188 1.894 9.310 1.00 0.00 O ATOM 746 CB VAL A 55 -3.974 -0.748 10.120 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.239 -2.040 9.997 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.262 -0.985 10.853 1.00 0.00 C ATOM 0 H VAL A 55 -4.803 1.516 10.726 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.667 -0.140 11.694 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.205 -0.363 9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.875 -2.775 9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.335 -1.890 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.969 -2.401 10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.844 -1.744 10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.047 -1.326 11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.832 -0.057 10.896 1.00 0.00 H new ATOM 758 N LYS A 56 -1.031 0.025 9.576 1.00 0.00 N ATOM 759 CA LYS A 56 -0.007 0.489 8.637 1.00 0.00 C ATOM 760 C LYS A 56 0.489 -0.641 7.752 1.00 0.00 C ATOM 761 O LYS A 56 0.433 -1.810 8.140 1.00 0.00 O ATOM 762 CB LYS A 56 1.226 1.120 9.281 1.00 0.00 C ATOM 763 CG LYS A 56 1.207 1.397 10.771 1.00 0.00 C ATOM 764 CD LYS A 56 0.068 2.269 11.245 1.00 0.00 C ATOM 765 CE LYS A 56 0.613 3.498 11.899 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.409 4.277 12.639 1.00 0.00 N ATOM 0 H LYS A 56 -0.867 -0.893 9.989 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.524 1.260 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.076 0.469 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.418 2.064 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.161 0.446 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.148 1.872 11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.567 2.545 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.557 1.718 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.408 3.212 12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.064 4.135 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.035 4.542 13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.645 5.137 12.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.265 3.699 12.761 1.00 0.00 H new ATOM 780 N TRP A 57 0.988 -0.286 6.570 1.00 0.00 N ATOM 781 CA TRP A 57 1.637 -1.248 5.695 1.00 0.00 C ATOM 782 C TRP A 57 2.971 -0.756 5.199 1.00 0.00 C ATOM 783 O TRP A 57 3.050 0.095 4.318 1.00 0.00 O ATOM 784 CB TRP A 57 0.744 -1.648 4.533 1.00 0.00 C ATOM 785 CG TRP A 57 -0.115 -2.776 4.952 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.159 -4.096 4.805 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.348 -2.689 5.649 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.846 -4.848 5.355 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.786 -4.001 5.882 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.131 -1.626 6.090 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.968 -4.273 6.547 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.301 -1.902 6.746 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.710 -3.212 6.969 1.00 0.00 C ATOM 0 H TRP A 57 0.953 0.664 6.199 1.00 0.00 H new ATOM 0 HA TRP A 57 1.819 -2.137 6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.130 -0.803 4.222 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.350 -1.935 3.674 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.040 -4.496 4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.888 -5.867 5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.822 -0.605 5.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.290 -5.288 6.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.917 -1.087 7.097 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.639 -3.393 7.490 1.00 0.00 H new ATOM 804 N HIS A 58 4.031 -1.299 5.773 1.00 0.00 N ATOM 805 CA HIS A 58 5.361 -0.927 5.357 1.00 0.00 C ATOM 806 C HIS A 58 5.634 -1.477 3.947 1.00 0.00 C ATOM 807 O HIS A 58 5.256 -2.594 3.611 1.00 0.00 O ATOM 808 CB HIS A 58 6.420 -1.423 6.351 1.00 0.00 C ATOM 809 CG HIS A 58 7.759 -0.815 6.087 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.661 -1.354 5.199 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.292 0.353 6.501 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.684 -0.529 5.054 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.484 0.510 5.841 1.00 0.00 N ATOM 0 H HIS A 58 3.992 -1.992 6.521 1.00 0.00 H new ATOM 0 HA HIS A 58 5.424 0.161 5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.106 -1.182 7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.496 -2.509 6.290 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.861 1.036 7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.534 -0.680 4.405 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.116 1.304 5.943 1.00 0.00 H new ATOM 822 N TYR A 59 6.288 -0.656 3.140 1.00 0.00 N ATOM 823 CA TYR A 59 6.528 -0.917 1.720 1.00 0.00 C ATOM 824 C TYR A 59 7.367 -2.162 1.485 1.00 0.00 C ATOM 825 O TYR A 59 7.218 -2.835 0.470 1.00 0.00 O ATOM 826 CB TYR A 59 7.235 0.289 1.124 1.00 0.00 C ATOM 827 CG TYR A 59 6.310 1.375 0.678 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.196 1.688 1.420 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.542 2.069 -0.488 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.329 2.674 1.024 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.689 3.061 -0.898 1.00 0.00 C ATOM 832 CZ TYR A 59 4.585 3.364 -0.140 1.00 0.00 C ATOM 833 OH TYR A 59 3.746 4.361 -0.547 1.00 0.00 O ATOM 0 H TYR A 59 6.678 0.232 3.457 1.00 0.00 H new ATOM 0 HA TYR A 59 5.564 -1.089 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.926 0.695 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.834 -0.037 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.000 1.146 2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.407 1.829 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.457 2.906 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.884 3.601 -1.812 1.00 0.00 H new ATOM 0 HH TYR A 59 3.783 5.102 0.094 1.00 0.00 H new ATOM 843 N LEU A 60 8.240 -2.463 2.432 1.00 0.00 N ATOM 844 CA LEU A 60 9.069 -3.666 2.385 1.00 0.00 C ATOM 845 C LEU A 60 8.237 -4.891 2.719 1.00 0.00 C ATOM 846 O LEU A 60 8.754 -5.934 3.106 1.00 0.00 O ATOM 847 CB LEU A 60 10.251 -3.551 3.347 1.00 0.00 C ATOM 848 CG LEU A 60 11.584 -3.203 2.697 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.114 -4.366 1.871 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.419 -1.978 1.840 1.00 0.00 C ATOM 0 H LEU A 60 8.397 -1.884 3.257 1.00 0.00 H new ATOM 0 HA LEU A 60 9.461 -3.771 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.019 -2.791 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.360 -4.496 3.878 1.00 0.00 H new ATOM 0 HG LEU A 60 12.312 -2.999 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.066 -4.088 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.258 -5.234 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.398 -4.611 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.373 -1.728 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.677 -2.173 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.088 -1.144 2.458 1.00 0.00 H new ATOM 862 N CYS A 61 6.940 -4.737 2.627 1.00 0.00 N ATOM 863 CA CYS A 61 6.044 -5.817 2.920 1.00 0.00 C ATOM 864 C CYS A 61 5.042 -5.989 1.787 1.00 0.00 C ATOM 865 O CYS A 61 4.535 -7.086 1.572 1.00 0.00 O ATOM 866 CB CYS A 61 5.332 -5.564 4.247 1.00 0.00 C ATOM 867 SG CYS A 61 4.831 -7.066 5.106 1.00 0.00 S ATOM 0 H CYS A 61 6.483 -3.868 2.350 1.00 0.00 H new ATOM 0 HA CYS A 61 6.616 -6.740 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.991 -4.988 4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.450 -4.951 4.063 1.00 0.00 H new ATOM 0 HG CYS A 61 4.238 -6.752 6.220 1.00 0.00 H new ATOM 873 N LEU A 62 4.778 -4.904 1.057 1.00 0.00 N ATOM 874 CA LEU A 62 3.875 -4.940 -0.088 1.00 0.00 C ATOM 875 C LEU A 62 4.459 -5.784 -1.218 1.00 0.00 C ATOM 876 O LEU A 62 5.041 -5.236 -2.147 1.00 0.00 O ATOM 877 CB LEU A 62 3.642 -3.536 -0.660 1.00 0.00 C ATOM 878 CG LEU A 62 2.837 -2.516 0.163 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.790 -1.870 -0.719 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.164 -3.121 1.378 1.00 0.00 C ATOM 0 H LEU A 62 5.181 -3.986 1.242 1.00 0.00 H new ATOM 0 HA LEU A 62 2.939 -5.366 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.619 -3.097 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.140 -3.652 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 62 3.549 -1.777 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.219 -1.147 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.278 -1.362 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.118 -2.636 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.614 -2.347 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.474 -3.903 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.919 -3.550 2.037 1.00 0.00 H new ATOM 892 N ARG A 63 4.310 -7.102 -1.151 1.00 0.00 N ATOM 893 CA ARG A 63 4.732 -7.960 -2.251 1.00 0.00 C ATOM 894 C ARG A 63 4.045 -7.508 -3.522 1.00 0.00 C ATOM 895 O ARG A 63 4.694 -7.213 -4.521 1.00 0.00 O ATOM 896 CB ARG A 63 4.386 -9.424 -2.005 1.00 0.00 C ATOM 897 CG ARG A 63 5.124 -10.064 -0.851 1.00 0.00 C ATOM 898 CD ARG A 63 4.888 -11.559 -0.854 1.00 0.00 C ATOM 899 NE ARG A 63 5.380 -12.207 0.354 1.00 0.00 N ATOM 900 CZ ARG A 63 4.670 -13.095 1.045 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.448 -13.425 0.643 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.178 -13.653 2.132 1.00 0.00 N ATOM 0 H ARG A 63 3.905 -7.595 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 63 5.816 -7.878 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.314 -9.504 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.597 -9.990 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.191 -9.855 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.784 -9.635 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.821 -11.754 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.378 -11.999 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 63 6.314 -11.968 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.054 -12.998 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.903 -14.106 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.117 -13.403 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.631 -14.333 2.659 1.00 0.00 H new ATOM 916 N ARG A 64 2.725 -7.437 -3.460 1.00 0.00 N ATOM 917 CA ARG A 64 1.951 -6.933 -4.576 1.00 0.00 C ATOM 918 C ARG A 64 1.062 -5.800 -4.111 1.00 0.00 C ATOM 919 O ARG A 64 0.923 -5.590 -2.917 1.00 0.00 O ATOM 920 CB ARG A 64 1.152 -8.053 -5.251 1.00 0.00 C ATOM 921 CG ARG A 64 -0.015 -8.621 -4.502 1.00 0.00 C ATOM 922 CD ARG A 64 -0.453 -9.912 -5.188 1.00 0.00 C ATOM 923 NE ARG A 64 0.437 -11.029 -4.858 1.00 0.00 N ATOM 924 CZ ARG A 64 1.416 -11.481 -5.650 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.628 -10.943 -6.850 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.188 -12.476 -5.233 1.00 0.00 N ATOM 0 H ARG A 64 2.172 -7.721 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 64 2.632 -6.542 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.787 -7.676 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.839 -8.870 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.260 -8.818 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.837 -7.905 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.472 -10.157 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.467 -9.764 -6.268 1.00 0.00 H new ATOM 0 HE ARG A 64 0.300 -11.495 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.040 -10.176 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.378 -11.298 -7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.033 -12.891 -4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.936 -12.826 -5.831 1.00 0.00 H new ATOM 940 N TYR A 65 0.519 -5.044 -5.054 1.00 0.00 N ATOM 941 CA TYR A 65 -0.309 -3.885 -4.743 1.00 0.00 C ATOM 942 C TYR A 65 -0.965 -3.362 -6.001 1.00 0.00 C ATOM 943 O TYR A 65 -0.344 -3.328 -7.055 1.00 0.00 O ATOM 944 CB TYR A 65 0.512 -2.796 -4.052 1.00 0.00 C ATOM 945 CG TYR A 65 1.778 -2.397 -4.776 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.872 -3.247 -4.838 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.889 -1.156 -5.371 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.028 -2.873 -5.486 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.032 -0.777 -6.007 1.00 0.00 C ATOM 950 CZ TYR A 65 4.103 -1.633 -6.071 1.00 0.00 C ATOM 951 OH TYR A 65 5.252 -1.247 -6.727 1.00 0.00 O ATOM 0 H TYR A 65 0.638 -5.214 -6.053 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.092 -4.192 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.114 -1.912 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.776 -3.140 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.816 -4.219 -4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.053 -0.473 -5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.869 -3.549 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.096 0.200 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 65 5.804 -0.703 -6.127 1.00 0.00 H new ATOM 961 N GLY A 66 -2.226 -2.973 -5.894 1.00 0.00 N ATOM 962 CA GLY A 66 -3.003 -2.740 -7.084 1.00 0.00 C ATOM 963 C GLY A 66 -4.091 -1.719 -6.946 1.00 0.00 C ATOM 964 O GLY A 66 -4.182 -0.984 -5.965 1.00 0.00 O ATOM 0 H GLY A 66 -2.717 -2.817 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.330 -2.425 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.450 -3.684 -7.397 1.00 0.00 H new ATOM 968 N TYR A 67 -4.957 -1.773 -7.931 1.00 0.00 N ATOM 969 CA TYR A 67 -6.018 -0.810 -8.142 1.00 0.00 C ATOM 970 C TYR A 67 -7.028 -1.407 -9.111 1.00 0.00 C ATOM 971 O TYR A 67 -6.646 -1.906 -10.171 1.00 0.00 O ATOM 972 CB TYR A 67 -5.442 0.483 -8.740 1.00 0.00 C ATOM 973 CG TYR A 67 -6.395 1.207 -9.677 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.633 1.627 -9.228 1.00 0.00 C ATOM 975 CD2 TYR A 67 -6.053 1.476 -10.998 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.511 2.292 -10.051 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.932 2.142 -11.838 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.162 2.548 -11.356 1.00 0.00 C ATOM 979 OH TYR A 67 -9.045 3.214 -12.178 1.00 0.00 O ATOM 0 H TYR A 67 -4.944 -2.513 -8.633 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.497 -0.577 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.166 1.156 -7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.527 0.245 -9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.918 1.428 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.091 1.162 -11.374 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.471 2.612 -9.674 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.657 2.342 -12.863 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.649 3.318 -13.068 1.00 0.00 H new ATOM 989 N ASP A 68 -8.297 -1.403 -8.745 1.00 0.00 N ATOM 990 CA ASP A 68 -9.332 -1.701 -9.703 1.00 0.00 C ATOM 991 C ASP A 68 -10.655 -1.067 -9.329 1.00 0.00 C ATOM 992 O ASP A 68 -11.228 -1.406 -8.312 1.00 0.00 O ATOM 993 CB ASP A 68 -9.522 -3.187 -9.875 1.00 0.00 C ATOM 994 CG ASP A 68 -10.424 -3.477 -11.075 1.00 0.00 C ATOM 995 OD1 ASP A 68 -9.878 -3.624 -12.192 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.671 -3.528 -10.934 1.00 0.00 O ATOM 0 H ASP A 68 -8.628 -1.199 -7.802 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.998 -1.274 -10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.555 -3.669 -10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.961 -3.610 -8.972 1.00 0.00 H new ATOM 1001 N SER A 69 -11.126 -0.142 -10.148 1.00 0.00 N ATOM 1002 CA SER A 69 -12.458 0.430 -9.984 1.00 0.00 C ATOM 1003 C SER A 69 -12.703 0.900 -8.543 1.00 0.00 C ATOM 1004 O SER A 69 -13.683 0.494 -7.909 1.00 0.00 O ATOM 1005 CB SER A 69 -13.498 -0.622 -10.377 1.00 0.00 C ATOM 1006 OG SER A 69 -13.111 -1.300 -11.565 1.00 0.00 O ATOM 0 H SER A 69 -10.604 0.233 -10.940 1.00 0.00 H new ATOM 0 HA SER A 69 -12.542 1.305 -10.628 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.618 -1.341 -9.566 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.466 -0.144 -10.525 1.00 0.00 H new ATOM 0 HG SER A 69 -12.566 -2.081 -11.333 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.803 1.750 -8.041 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.849 2.229 -6.653 1.00 0.00 C ATOM 1014 C ASN A 70 -11.617 1.091 -5.646 1.00 0.00 C ATOM 1015 O ASN A 70 -12.115 1.124 -4.527 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.155 2.952 -6.360 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.294 4.233 -7.165 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -12.299 4.882 -7.497 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.520 4.608 -7.487 1.00 0.00 N ATOM 0 H ASN A 70 -11.024 2.126 -8.582 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.033 2.942 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.992 2.291 -6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.209 3.185 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.667 5.460 -8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.319 4.045 -7.195 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.865 0.080 -6.062 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.375 -0.965 -5.159 1.00 0.00 C ATOM 1028 C LEU A 71 -8.832 -0.913 -5.170 1.00 0.00 C ATOM 1029 O LEU A 71 -8.231 -1.218 -6.188 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.833 -2.356 -5.677 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.668 -3.258 -4.737 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.335 -4.741 -4.877 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.519 -2.862 -3.294 1.00 0.00 C ATOM 0 H LEU A 71 -10.575 -0.043 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.764 -0.809 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.414 -2.196 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.941 -2.913 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.701 -3.107 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.954 -5.319 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.529 -5.062 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.283 -4.902 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.123 -3.522 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.472 -2.943 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.854 -1.833 -3.163 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.182 -0.526 -4.077 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.710 -0.544 -4.026 1.00 0.00 C ATOM 1047 C PHE A 72 -6.263 -1.688 -3.139 1.00 0.00 C ATOM 1048 O PHE A 72 -6.853 -1.931 -2.097 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.112 0.803 -3.546 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.074 0.702 -2.464 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.450 0.705 -1.141 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.715 0.622 -2.763 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.504 0.632 -0.153 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.783 0.554 -1.778 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.170 0.561 -0.483 1.00 0.00 C ATOM 0 H PHE A 72 -8.635 -0.200 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.335 -0.692 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.669 1.310 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.925 1.434 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.496 0.765 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.398 0.614 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.805 0.630 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.734 0.494 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.427 0.510 0.299 1.00 0.00 H new ATOM 1065 N SER A 73 -5.240 -2.398 -3.551 1.00 0.00 N ATOM 1066 CA SER A 73 -4.833 -3.582 -2.830 1.00 0.00 C ATOM 1067 C SER A 73 -3.327 -3.647 -2.637 1.00 0.00 C ATOM 1068 O SER A 73 -2.585 -2.864 -3.222 1.00 0.00 O ATOM 1069 CB SER A 73 -5.313 -4.812 -3.581 1.00 0.00 C ATOM 1070 OG SER A 73 -4.894 -6.010 -2.952 1.00 0.00 O ATOM 0 H SER A 73 -4.678 -2.180 -4.374 1.00 0.00 H new ATOM 0 HA SER A 73 -5.283 -3.544 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.401 -4.797 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.933 -4.786 -4.602 1.00 0.00 H new ATOM 0 HG SER A 73 -5.130 -5.980 -2.001 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.904 -4.577 -1.789 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.504 -4.931 -1.626 1.00 0.00 C ATOM 1078 C PHE A 74 -1.394 -6.286 -0.909 1.00 0.00 C ATOM 1079 O PHE A 74 -2.267 -6.641 -0.116 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.738 -3.835 -0.887 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.377 -3.325 0.363 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.644 -4.188 1.408 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.681 -1.975 0.510 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.207 -3.729 2.569 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.235 -1.516 1.683 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.499 -2.392 2.708 1.00 0.00 C ATOM 0 H PHE A 74 -3.533 -5.111 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.045 -5.024 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.252 -4.215 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.595 -2.996 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.406 -5.237 1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.482 -1.286 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.421 -4.416 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.462 -0.466 1.798 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.937 -2.030 3.626 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.360 -7.063 -1.226 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.107 -8.317 -0.523 1.00 0.00 C ATOM 1098 C GLU A 75 1.051 -8.134 0.428 1.00 0.00 C ATOM 1099 O GLU A 75 2.200 -8.106 0.000 1.00 0.00 O ATOM 1100 CB GLU A 75 0.220 -9.478 -1.462 1.00 0.00 C ATOM 1101 CG GLU A 75 0.373 -10.810 -0.739 1.00 0.00 C ATOM 1102 CD GLU A 75 0.679 -11.964 -1.673 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.189 -12.308 -2.508 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.775 -12.548 -1.564 1.00 0.00 O ATOM 0 H GLU A 75 0.313 -6.847 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.026 -8.568 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.569 -9.566 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.143 -9.255 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.171 -10.726 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.545 -11.027 -0.192 1.00 0.00 H new ATOM 1111 N SER A 76 0.758 -8.003 1.703 1.00 0.00 N ATOM 1112 CA SER A 76 1.801 -7.827 2.685 1.00 0.00 C ATOM 1113 C SER A 76 2.382 -9.190 3.066 1.00 0.00 C ATOM 1114 O SER A 76 1.650 -10.105 3.446 1.00 0.00 O ATOM 1115 CB SER A 76 1.236 -7.089 3.894 1.00 0.00 C ATOM 1116 OG SER A 76 0.264 -7.873 4.573 1.00 0.00 O ATOM 0 H SER A 76 -0.189 -8.015 2.081 1.00 0.00 H new ATOM 0 HA SER A 76 2.612 -7.226 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.045 -6.837 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.787 -6.150 3.572 1.00 0.00 H new ATOM 0 HG SER A 76 0.342 -8.808 4.290 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.954 -10.395 1.168 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.675 -9.545 0.235 1.00 0.00 C ATOM 1252 C ILE A 86 -4.819 -8.855 0.951 1.00 0.00 C ATOM 1253 O ILE A 86 -5.860 -9.456 1.233 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.220 -10.308 -0.988 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.048 -10.730 -1.868 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.192 -9.436 -1.763 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.219 -10.470 -3.348 1.00 0.00 C ATOM 0 HA ILE A 86 -2.959 -8.814 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.760 -11.196 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.154 -10.209 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.872 -11.796 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.569 -9.988 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.025 -9.157 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.681 -8.536 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.330 -10.807 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.090 -11.013 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.360 -9.402 -3.516 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.605 -7.605 1.274 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.623 -6.808 1.906 1.00 0.00 C ATOM 1271 C PHE A 87 -5.958 -5.659 0.987 1.00 0.00 C ATOM 1272 O PHE A 87 -5.153 -4.755 0.765 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.134 -6.326 3.276 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.199 -5.792 4.204 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.543 -6.109 4.048 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.835 -4.977 5.256 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.492 -5.611 4.931 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.774 -4.482 6.137 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.098 -4.794 5.979 1.00 0.00 C ATOM 0 H PHE A 87 -3.726 -7.114 1.107 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.526 -7.394 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.629 -7.154 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.389 -5.545 3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.852 -6.748 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.795 -4.722 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.535 -5.860 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.464 -3.847 6.954 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.833 -4.405 6.669 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.129 -5.748 0.399 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.572 -4.762 -0.546 1.00 0.00 C ATOM 1291 C ALA A 88 -8.596 -3.847 0.097 1.00 0.00 C ATOM 1292 O ALA A 88 -9.418 -4.278 0.907 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.136 -5.436 -1.773 1.00 0.00 C ATOM 0 H ALA A 88 -7.794 -6.503 0.564 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.722 -4.154 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.469 -4.679 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.366 -6.054 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.981 -6.063 -1.488 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.532 -2.585 -0.249 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.439 -1.605 0.285 1.00 0.00 C ATOM 1301 C PHE A 89 -10.126 -0.930 -0.851 1.00 0.00 C ATOM 1302 O PHE A 89 -9.496 -0.546 -1.830 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.727 -0.551 1.114 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.668 -1.123 1.968 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.433 -1.315 1.440 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.906 -1.479 3.273 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.430 -1.859 2.183 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.905 -2.024 4.040 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.660 -2.219 3.491 1.00 0.00 C ATOM 0 H PHE A 89 -7.850 -2.211 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.145 -2.121 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.290 0.195 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.454 -0.034 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.243 -1.032 0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.887 -1.329 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.454 -2.008 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.095 -2.297 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.867 -2.652 4.083 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.400 -0.778 -0.718 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.172 -0.118 -1.712 1.00 0.00 C ATOM 1321 C LYS A 90 -11.906 1.372 -1.590 1.00 0.00 C ATOM 1322 O LYS A 90 -12.628 2.099 -0.915 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.622 -0.441 -1.480 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.463 -0.531 -2.718 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.749 -1.281 -2.454 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.419 -0.746 -1.213 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.689 -1.461 -0.918 1.00 0.00 N ATOM 0 H LYS A 90 -11.935 -1.109 0.085 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.907 -0.443 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.685 -1.390 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.047 0.321 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.692 0.472 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.902 -1.033 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.418 -1.182 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.540 -2.344 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.742 -0.843 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.622 0.318 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.308 -0.849 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.167 -1.702 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.482 -2.332 -0.389 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.828 1.801 -2.210 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.393 3.179 -2.129 1.00 0.00 C ATOM 1343 C CYS A 91 -10.841 3.905 -3.373 1.00 0.00 C ATOM 1344 O CYS A 91 -10.458 3.519 -4.469 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.870 3.281 -2.022 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.279 4.991 -1.997 1.00 0.00 S ATOM 0 H CYS A 91 -10.230 1.206 -2.783 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.831 3.624 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.540 2.774 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.416 2.757 -2.863 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.706 5.582 -0.920 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.629 4.953 -3.243 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.085 5.644 -4.434 1.00 0.00 C ATOM 1354 C ALA A 92 -10.987 6.504 -5.036 1.00 0.00 C ATOM 1355 O ALA A 92 -11.195 7.211 -6.019 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.344 6.433 -4.196 1.00 0.00 C ATOM 0 H ALA A 92 -11.959 5.336 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.336 4.875 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.642 6.930 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.139 5.761 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.164 7.180 -3.423 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.820 6.447 -4.430 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.609 6.914 -5.066 1.00 0.00 C ATOM 1364 C ARG A 93 -7.648 5.769 -5.203 1.00 0.00 C ATOM 1365 O ARG A 93 -6.465 5.973 -5.143 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.945 8.047 -4.312 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.622 9.362 -4.552 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.585 9.712 -3.424 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.262 10.997 -2.810 1.00 0.00 N ATOM 1370 CZ ARG A 93 -9.769 11.425 -1.654 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -10.709 10.722 -1.028 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -9.352 12.576 -1.137 1.00 0.00 N ATOM 0 H ARG A 93 -9.685 6.078 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.887 7.304 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.954 7.825 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.900 8.118 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.871 10.146 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.165 9.325 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.603 9.741 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.555 8.930 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.606 11.607 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.047 9.849 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.092 11.056 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.647 13.128 -1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.737 12.907 -0.253 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.173 4.561 -5.363 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.344 3.377 -5.567 1.00 0.00 C ATOM 1388 C ALA A 94 -6.310 3.648 -6.634 1.00 0.00 C ATOM 1389 O ALA A 94 -5.124 3.442 -6.445 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.196 2.223 -6.039 1.00 0.00 C ATOM 0 H ALA A 94 -9.176 4.374 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.862 3.133 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.568 1.344 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.957 2.002 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.679 2.488 -6.980 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.826 4.085 -7.768 1.00 0.00 N ATOM 1397 CA GLU A 95 -6.020 4.536 -8.907 1.00 0.00 C ATOM 1398 C GLU A 95 -4.856 5.396 -8.455 1.00 0.00 C ATOM 1399 O GLU A 95 -3.689 5.107 -8.709 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.904 5.361 -9.853 1.00 0.00 C ATOM 1401 CG GLU A 95 -8.000 6.159 -9.142 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.533 7.296 -9.985 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.445 7.059 -10.803 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.048 8.439 -9.829 1.00 0.00 O ATOM 0 H GLU A 95 -7.831 4.141 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.625 3.656 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.273 6.050 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.368 4.691 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.820 5.490 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.605 6.559 -8.208 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.232 6.434 -7.762 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.350 7.458 -7.265 1.00 0.00 C ATOM 1413 C GLU A 96 -3.418 6.909 -6.193 1.00 0.00 C ATOM 1414 O GLU A 96 -2.219 7.182 -6.189 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.268 8.512 -6.669 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.635 9.832 -6.362 1.00 0.00 C ATOM 1417 CD GLU A 96 -4.133 10.540 -7.593 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.981 10.304 -8.000 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.905 11.331 -8.172 1.00 0.00 O ATOM 0 H GLU A 96 -6.208 6.599 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.714 7.856 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.094 8.679 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.697 8.114 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.360 10.468 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.805 9.680 -5.672 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.003 6.148 -5.288 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.316 5.570 -4.173 1.00 0.00 C ATOM 1428 C LEU A 97 -2.315 4.548 -4.644 1.00 0.00 C ATOM 1429 O LEU A 97 -1.124 4.711 -4.441 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.337 4.925 -3.255 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.931 4.917 -1.805 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.135 4.973 -0.932 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.190 3.652 -1.507 1.00 0.00 C ATOM 0 H LEU A 97 -4.996 5.915 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.774 6.347 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.286 5.453 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.508 3.899 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.300 5.785 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.827 4.967 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.693 5.886 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.768 4.108 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.894 3.642 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.834 2.797 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.301 3.594 -2.135 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.803 3.505 -5.291 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.936 2.482 -5.823 1.00 0.00 C ATOM 1447 C PHE A 98 -0.761 3.133 -6.546 1.00 0.00 C ATOM 1448 O PHE A 98 0.386 2.856 -6.233 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.706 1.557 -6.773 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.807 0.852 -7.723 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.847 0.019 -7.224 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.869 1.070 -9.089 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.054 -0.589 -8.045 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.975 0.443 -9.935 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.004 -0.386 -9.403 1.00 0.00 C ATOM 0 H PHE A 98 -3.797 3.349 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.558 1.877 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.263 0.823 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.437 2.141 -7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.801 -0.161 -6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.619 1.733 -9.495 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.815 -1.232 -7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.034 0.599 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.707 -0.873 -10.054 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.081 4.025 -7.477 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.084 4.814 -8.214 1.00 0.00 C ATOM 1467 C ASN A 99 0.901 5.466 -7.283 1.00 0.00 C ATOM 1468 O ASN A 99 2.083 5.155 -7.331 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.772 5.906 -9.040 1.00 0.00 C ATOM 1470 CG ASN A 99 0.077 6.398 -10.199 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.007 7.565 -10.579 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.878 5.517 -10.776 1.00 0.00 N ATOM 0 H ASN A 99 -2.043 4.227 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 99 0.449 4.126 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.716 5.521 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.013 6.748 -8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.463 5.798 -11.563 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.910 4.557 -10.434 1.00 0.00 H new ATOM 1479 N MET A 100 0.408 6.358 -6.447 1.00 0.00 N ATOM 1480 CA MET A 100 1.242 7.072 -5.496 1.00 0.00 C ATOM 1481 C MET A 100 2.142 6.091 -4.774 1.00 0.00 C ATOM 1482 O MET A 100 3.344 6.282 -4.716 1.00 0.00 O ATOM 1483 CB MET A 100 0.355 7.808 -4.505 1.00 0.00 C ATOM 1484 CG MET A 100 1.080 8.837 -3.665 1.00 0.00 C ATOM 1485 SD MET A 100 0.287 9.136 -2.087 1.00 0.00 S ATOM 1486 CE MET A 100 -1.399 9.235 -2.628 1.00 0.00 C ATOM 0 H MET A 100 -0.580 6.609 -6.406 1.00 0.00 H new ATOM 0 HA MET A 100 1.865 7.797 -6.020 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.448 8.303 -5.052 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.112 7.079 -3.843 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.103 8.503 -3.494 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.139 9.774 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.040 9.473 -1.779 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.493 10.015 -3.384 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.701 8.278 -3.054 1.00 0.00 H new ATOM 1496 N LEU A 101 1.538 5.037 -4.258 1.00 0.00 N ATOM 1497 CA LEU A 101 2.264 3.922 -3.664 1.00 0.00 C ATOM 1498 C LEU A 101 3.387 3.422 -4.571 1.00 0.00 C ATOM 1499 O LEU A 101 4.546 3.448 -4.166 1.00 0.00 O ATOM 1500 CB LEU A 101 1.268 2.801 -3.350 1.00 0.00 C ATOM 1501 CG LEU A 101 1.829 1.405 -3.140 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.858 1.377 -2.037 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.693 0.459 -2.831 1.00 0.00 C ATOM 0 H LEU A 101 0.524 4.926 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 101 2.741 4.261 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.718 3.081 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.546 2.754 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 101 2.333 1.091 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.235 0.361 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.682 2.043 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.400 1.706 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.087 -0.546 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.181 0.789 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.010 0.450 -3.664 1.00 0.00 H new ATOM 1515 N GLN A 102 3.061 2.982 -5.795 1.00 0.00 N ATOM 1516 CA GLN A 102 4.092 2.474 -6.706 1.00 0.00 C ATOM 1517 C GLN A 102 5.182 3.529 -6.903 1.00 0.00 C ATOM 1518 O GLN A 102 6.362 3.211 -7.000 1.00 0.00 O ATOM 1519 CB GLN A 102 3.557 2.061 -8.086 1.00 0.00 C ATOM 1520 CG GLN A 102 2.089 2.057 -8.268 1.00 0.00 C ATOM 1521 CD GLN A 102 1.727 2.311 -9.718 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.665 2.834 -10.038 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.635 1.979 -10.602 1.00 0.00 N ATOM 0 H GLN A 102 2.112 2.968 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 102 4.488 1.576 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.988 2.731 -8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.928 1.060 -8.306 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.681 1.098 -7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.637 2.822 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.507 1.546 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.470 2.154 -11.593 1.00 0.00 H new ATOM 1532 N GLU A 103 4.766 4.789 -6.941 1.00 0.00 N ATOM 1533 CA GLU A 103 5.676 5.914 -7.136 1.00 0.00 C ATOM 1534 C GLU A 103 6.548 6.132 -5.918 1.00 0.00 C ATOM 1535 O GLU A 103 7.765 6.241 -6.035 1.00 0.00 O ATOM 1536 CB GLU A 103 4.883 7.182 -7.401 1.00 0.00 C ATOM 1537 CG GLU A 103 3.869 7.041 -8.510 1.00 0.00 C ATOM 1538 CD GLU A 103 4.512 7.027 -9.877 1.00 0.00 C ATOM 1539 OE1 GLU A 103 4.950 5.954 -10.326 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.598 8.104 -10.508 1.00 0.00 O ATOM 0 H GLU A 103 3.788 5.061 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 103 6.312 5.681 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.369 7.477 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.574 7.987 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.304 6.120 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.157 7.864 -8.455 1.00 0.00 H new ATOM 1547 N ILE A 104 5.921 6.227 -4.754 1.00 0.00 N ATOM 1548 CA ILE A 104 6.649 6.339 -3.508 1.00 0.00 C ATOM 1549 C ILE A 104 7.646 5.194 -3.415 1.00 0.00 C ATOM 1550 O ILE A 104 8.795 5.376 -3.008 1.00 0.00 O ATOM 1551 CB ILE A 104 5.714 6.315 -2.284 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.899 7.599 -2.184 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.523 6.141 -1.028 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.426 7.366 -1.986 1.00 0.00 C ATOM 0 H ILE A 104 4.906 6.228 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 104 7.165 7.299 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 104 5.026 5.478 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.278 8.196 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.047 8.184 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.857 6.125 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.075 5.202 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.224 6.970 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.911 8.325 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.031 6.796 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.267 6.808 -1.063 1.00 0.00 H new ATOM 1566 N MET A 105 7.194 4.020 -3.845 1.00 0.00 N ATOM 1567 CA MET A 105 8.039 2.845 -3.915 1.00 0.00 C ATOM 1568 C MET A 105 9.283 3.113 -4.759 1.00 0.00 C ATOM 1569 O MET A 105 10.408 2.821 -4.348 1.00 0.00 O ATOM 1570 CB MET A 105 7.275 1.666 -4.505 1.00 0.00 C ATOM 1571 CG MET A 105 6.241 1.083 -3.566 1.00 0.00 C ATOM 1572 SD MET A 105 6.029 -0.680 -3.812 1.00 0.00 S ATOM 1573 CE MET A 105 5.104 -1.088 -2.350 1.00 0.00 C ATOM 0 H MET A 105 6.234 3.862 -4.152 1.00 0.00 H new ATOM 0 HA MET A 105 8.347 2.602 -2.898 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.781 1.986 -5.422 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.984 0.886 -4.781 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.540 1.272 -2.535 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.287 1.588 -3.719 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.676 -1.789 -1.742 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.913 -0.182 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.156 -1.544 -2.635 1.00 0.00 H new ATOM 1583 N GLN A 106 9.067 3.692 -5.935 1.00 0.00 N ATOM 1584 CA GLN A 106 10.137 3.963 -6.879 1.00 0.00 C ATOM 1585 C GLN A 106 11.067 5.060 -6.379 1.00 0.00 C ATOM 1586 O GLN A 106 12.283 4.990 -6.542 1.00 0.00 O ATOM 1587 CB GLN A 106 9.541 4.393 -8.206 1.00 0.00 C ATOM 1588 CG GLN A 106 8.667 3.336 -8.838 1.00 0.00 C ATOM 1589 CD GLN A 106 9.429 2.227 -9.550 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.676 1.994 -9.172 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 8.901 1.599 -10.466 1.00 0.00 N flip ATOM 0 H GLN A 106 8.145 3.985 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 106 10.718 3.048 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.953 5.299 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.348 4.647 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.041 2.890 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.998 3.816 -9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.938 1.801 -10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.426 0.876 -10.957 1.00 0.00 H new ATOM 1600 N ASN A 107 10.474 6.059 -5.749 1.00 0.00 N ATOM 1601 CA ASN A 107 11.159 7.312 -5.467 1.00 0.00 C ATOM 1602 C ASN A 107 11.802 7.353 -4.084 1.00 0.00 C ATOM 1603 O ASN A 107 12.747 8.111 -3.866 1.00 0.00 O ATOM 1604 CB ASN A 107 10.181 8.472 -5.635 1.00 0.00 C ATOM 1605 CG ASN A 107 9.882 8.777 -7.092 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.534 9.619 -7.712 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.896 8.091 -7.652 1.00 0.00 N ATOM 0 H ASN A 107 9.509 6.027 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 107 11.977 7.400 -6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.251 8.236 -5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.593 9.362 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.654 8.252 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.379 7.402 -7.105 1.00 0.00 H new ATOM 1614 N ASN A 108 11.313 6.550 -3.144 1.00 0.00 N ATOM 1615 CA ASN A 108 11.866 6.581 -1.793 1.00 0.00 C ATOM 1616 C ASN A 108 12.842 5.449 -1.567 1.00 0.00 C ATOM 1617 O ASN A 108 13.751 5.568 -0.743 1.00 0.00 O ATOM 1618 CB ASN A 108 10.779 6.563 -0.708 1.00 0.00 C ATOM 1619 CG ASN A 108 10.082 7.904 -0.599 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.841 7.887 -0.172 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.663 8.949 -0.885 1.00 0.00 N flip ATOM 0 H ASN A 108 10.553 5.884 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 108 12.400 7.528 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.047 5.789 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.226 6.305 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.628 8.922 -1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 108 10.180 9.843 -0.793 1.00 0.00 H new ATOM 1628 N SER A 109 12.640 4.354 -2.297 1.00 0.00 N ATOM 1629 CA SER A 109 13.422 3.121 -2.121 1.00 0.00 C ATOM 1630 C SER A 109 13.051 2.444 -0.797 1.00 0.00 C ATOM 1631 O SER A 109 13.149 1.223 -0.670 1.00 0.00 O ATOM 1632 CB SER A 109 14.927 3.406 -2.195 1.00 0.00 C ATOM 1633 OG SER A 109 15.252 4.073 -3.406 1.00 0.00 O ATOM 0 H SER A 109 11.931 4.291 -3.028 1.00 0.00 H new ATOM 0 HA SER A 109 13.179 2.439 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.229 4.018 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.483 2.471 -2.128 1.00 0.00 H new ATOM 0 HG SER A 109 16.216 4.248 -3.435 1.00 0.00 H new ATOM 1639 N ILE A 110 12.605 3.248 0.167 1.00 0.00 N ATOM 1640 CA ILE A 110 11.962 2.763 1.372 1.00 0.00 C ATOM 1641 C ILE A 110 12.923 2.065 2.324 1.00 0.00 C ATOM 1642 O ILE A 110 13.203 0.869 2.204 1.00 0.00 O ATOM 1643 CB ILE A 110 10.772 1.857 1.051 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.631 2.673 0.469 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.312 1.156 2.294 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.848 3.183 -0.931 1.00 0.00 C ATOM 0 H ILE A 110 12.684 4.264 0.126 1.00 0.00 H new ATOM 0 HA ILE A 110 11.594 3.650 1.887 1.00 0.00 H new ATOM 0 HB ILE A 110 11.086 1.115 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.728 2.062 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.446 3.525 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.464 0.513 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.126 0.551 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.011 1.894 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.975 3.752 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.728 3.826 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.999 2.340 -1.606 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.007 -10.404 -9.394 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.271 -9.725 -9.250 1.00 0.00 C ATOM 1886 C ALA B 496 -5.983 -10.273 -8.046 1.00 0.00 C ATOM 1887 O ALA B 496 -6.249 -11.470 -7.943 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.135 -9.774 -10.492 1.00 0.00 C ATOM 0 HA ALA B 496 -5.066 -8.664 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.068 -9.242 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.607 -9.303 -11.321 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.352 -10.812 -10.743 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.190 -9.394 -7.098 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.940 -9.734 -5.903 1.00 0.00 C ATOM 1896 C VAL B 497 -8.401 -9.546 -6.191 1.00 0.00 C ATOM 1897 O VAL B 497 -8.858 -8.453 -6.485 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.502 -8.887 -4.664 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.305 -8.053 -5.010 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.623 -7.994 -4.137 1.00 0.00 C ATOM 0 H VAL B 497 -5.850 -8.433 -7.126 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.736 -10.774 -5.646 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.249 -9.589 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.007 -7.466 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.483 -8.703 -5.308 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.554 -7.382 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.264 -7.429 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.937 -7.304 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.470 -8.612 -3.837 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.151 -10.604 -6.180 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.517 -10.433 -6.549 1.00 0.00 C ATOM 1912 C ILE B 498 -11.313 -10.263 -5.293 1.00 0.00 C ATOM 1913 O ILE B 498 -11.882 -11.220 -4.758 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.139 -11.536 -7.426 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.288 -11.967 -8.641 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.488 -11.040 -7.930 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.942 -11.326 -8.791 1.00 0.00 C ATOM 0 H ILE B 498 -8.859 -11.550 -5.933 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.545 -9.554 -7.193 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.219 -12.419 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.145 -13.046 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.862 -11.765 -9.545 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.947 -11.806 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.137 -10.826 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.346 -10.132 -8.516 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.450 -11.716 -9.682 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.062 -10.247 -8.886 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.334 -11.548 -7.914 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.318 -9.047 -4.786 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.976 -8.804 -3.543 1.00 0.00 C ATOM 1931 C ILE B 499 -13.446 -8.533 -3.820 1.00 0.00 C ATOM 1932 O ILE B 499 -13.863 -7.401 -4.077 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.282 -7.671 -2.732 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.088 -8.218 -1.933 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.255 -6.965 -1.806 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.171 -9.694 -1.606 1.00 0.00 C ATOM 0 H ILE B 499 -10.879 -8.232 -5.215 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.904 -9.685 -2.906 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.915 -6.940 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.175 -8.036 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -10.003 -7.657 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.732 -6.181 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.060 -6.522 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.673 -7.684 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.287 -9.992 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.063 -9.885 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.222 -10.269 -2.530 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.199 -9.634 -3.812 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.635 -9.612 -4.024 1.00 0.00 C ATOM 1950 C GLY B 500 -16.074 -8.736 -5.170 1.00 0.00 C ATOM 1951 O GLY B 500 -16.073 -9.162 -6.325 1.00 0.00 O ATOM 0 H GLY B 500 -13.821 -10.569 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.980 -10.630 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.121 -9.268 -3.111 1.00 0.00 H new ATOM 1955 N MET B 501 -16.457 -7.511 -4.822 1.00 0.00 N ATOM 1956 CA MET B 501 -16.880 -6.512 -5.762 1.00 0.00 C ATOM 1957 C MET B 501 -15.934 -6.422 -6.947 1.00 0.00 C ATOM 1958 O MET B 501 -16.365 -6.466 -8.100 1.00 0.00 O ATOM 1959 CB MET B 501 -16.950 -5.164 -5.046 1.00 0.00 C ATOM 1960 CG MET B 501 -17.695 -4.129 -5.832 1.00 0.00 C ATOM 1961 SD MET B 501 -17.374 -2.442 -5.283 1.00 0.00 S ATOM 1962 CE MET B 501 -15.684 -2.222 -5.837 1.00 0.00 C ATOM 0 H MET B 501 -16.478 -7.191 -3.854 1.00 0.00 H new ATOM 0 HA MET B 501 -17.861 -6.788 -6.148 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.433 -5.296 -4.078 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.938 -4.808 -4.851 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.424 -4.218 -6.884 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.764 -4.329 -5.760 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.347 -1.216 -5.586 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.042 -2.953 -5.346 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.634 -2.362 -6.917 1.00 0.00 H new ATOM 1972 N THR B 502 -14.643 -6.339 -6.676 1.00 0.00 N ATOM 1973 CA THR B 502 -13.706 -6.026 -7.735 1.00 0.00 C ATOM 1974 C THR B 502 -12.427 -6.850 -7.701 1.00 0.00 C ATOM 1975 O THR B 502 -11.886 -7.165 -6.642 1.00 0.00 O ATOM 1976 CB THR B 502 -13.388 -4.519 -7.714 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.336 -3.793 -8.504 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.006 -4.236 -8.217 1.00 0.00 C ATOM 0 H THR B 502 -14.229 -6.480 -5.755 1.00 0.00 H new ATOM 0 HA THR B 502 -14.194 -6.296 -8.672 1.00 0.00 H new ATOM 0 HB THR B 502 -13.450 -4.194 -6.676 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.150 -4.328 -8.611 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.820 -3.162 -8.186 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.278 -4.748 -7.588 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.912 -4.591 -9.243 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.975 -7.213 -8.895 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.699 -7.847 -9.080 1.00 0.00 C ATOM 1988 C LYS B 503 -9.595 -6.823 -9.264 1.00 0.00 C ATOM 1989 O LYS B 503 -9.589 -6.081 -10.235 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.764 -8.787 -10.274 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.466 -8.904 -11.050 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.389 -10.200 -11.831 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.747 -10.629 -12.368 1.00 0.00 C ATOM 1994 NZ LYS B 503 -10.691 -11.959 -13.021 1.00 0.00 N ATOM 0 H LYS B 503 -12.495 -7.070 -9.760 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.465 -8.421 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.056 -9.778 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.547 -8.443 -10.949 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.376 -8.061 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.624 -8.845 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.693 -10.081 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.989 -10.985 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -11.468 -10.656 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.104 -9.888 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.636 -12.213 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.023 -11.927 -13.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.375 -12.671 -12.332 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.655 -6.813 -8.339 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.597 -5.844 -8.330 1.00 0.00 C ATOM 2010 C ILE B 504 -6.350 -6.367 -8.981 1.00 0.00 C ATOM 2011 O ILE B 504 -5.622 -7.152 -8.393 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.222 -5.435 -6.916 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.453 -4.976 -6.181 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.218 -4.318 -6.971 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.136 -4.180 -4.950 1.00 0.00 C ATOM 0 H ILE B 504 -8.611 -7.484 -7.572 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.982 -4.989 -8.886 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.788 -6.287 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.065 -4.372 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.048 -5.845 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.947 -4.022 -5.958 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.327 -4.655 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.651 -3.465 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.063 -3.877 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.548 -4.790 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.566 -3.293 -5.227 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.053 -5.879 -10.162 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.857 -6.245 -10.864 1.00 0.00 C ATOM 2029 C PRO B 505 -3.688 -5.480 -10.268 1.00 0.00 C ATOM 2030 O PRO B 505 -3.511 -4.278 -10.497 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.189 -5.839 -12.291 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.064 -4.649 -12.140 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.820 -4.861 -10.869 1.00 0.00 C ATOM 0 HA PRO B 505 -4.568 -7.294 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.288 -5.601 -12.857 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.698 -6.642 -12.825 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.475 -3.733 -12.097 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.743 -4.552 -12.988 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.890 -3.941 -10.289 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.840 -5.194 -11.063 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.972 -6.159 -9.395 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.884 -5.544 -8.668 1.00 0.00 C ATOM 2043 C VAL B 506 -0.541 -5.750 -9.367 1.00 0.00 C ATOM 2044 O VAL B 506 -0.426 -6.500 -10.338 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.799 -6.136 -7.254 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.128 -6.036 -6.514 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.382 -7.568 -7.343 1.00 0.00 C ATOM 0 H VAL B 506 -3.127 -7.142 -9.172 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.090 -4.474 -8.624 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.063 -5.560 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.023 -6.466 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.419 -4.989 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.894 -6.581 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.320 -7.992 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.114 -8.124 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.407 -7.634 -7.825 1.00 0.00 H new ATOM 2057 N ILE B 507 0.466 -5.069 -8.844 1.00 0.00 N ATOM 2058 CA ILE B 507 1.833 -5.146 -9.337 1.00 0.00 C ATOM 2059 C ILE B 507 2.758 -5.466 -8.166 1.00 0.00 C ATOM 2060 O ILE B 507 2.349 -5.333 -7.019 1.00 0.00 O ATOM 2061 CB ILE B 507 2.257 -3.822 -9.996 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.512 -2.780 -8.946 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.148 -3.321 -10.894 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.113 -1.499 -9.471 1.00 0.00 C ATOM 0 H ILE B 507 0.355 -4.436 -8.052 1.00 0.00 H new ATOM 0 HA ILE B 507 1.897 -5.930 -10.092 1.00 0.00 H new ATOM 0 HB ILE B 507 3.164 -4.000 -10.573 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.572 -2.548 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.179 -3.197 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.452 -2.383 -11.359 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.945 -4.061 -11.668 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.247 -3.158 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.264 -0.803 -8.646 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.071 -1.714 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.439 -1.054 -10.203 1.00 0.00 H new ATOM 2076 N GLU B 508 3.976 -5.905 -8.436 1.00 0.00 N ATOM 2077 CA GLU B 508 4.885 -6.288 -7.362 1.00 0.00 C ATOM 2078 C GLU B 508 5.972 -5.237 -7.123 1.00 0.00 C ATOM 2079 O GLU B 508 6.447 -4.582 -8.056 1.00 0.00 O ATOM 2080 CB GLU B 508 5.469 -7.676 -7.635 1.00 0.00 C ATOM 2081 CG GLU B 508 4.421 -8.767 -7.509 1.00 0.00 C ATOM 2082 CD GLU B 508 4.986 -10.172 -7.554 1.00 0.00 C ATOM 2083 OE1 GLU B 508 6.061 -10.408 -6.973 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.333 -11.058 -8.145 1.00 0.00 O ATOM 0 H GLU B 508 4.357 -6.005 -9.377 1.00 0.00 H new ATOM 0 HA GLU B 508 4.313 -6.340 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.898 -7.699 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.282 -7.871 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.883 -8.633 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.694 -8.653 -8.313 1.00 0.00 H new ATOM 2091 N ASN B 509 6.341 -5.095 -5.848 1.00 0.00 N ATOM 2092 CA ASN B 509 7.183 -3.990 -5.363 1.00 0.00 C ATOM 2093 C ASN B 509 8.624 -4.085 -5.851 1.00 0.00 C ATOM 2094 O ASN B 509 9.139 -5.175 -6.099 1.00 0.00 O ATOM 2095 CB ASN B 509 7.201 -3.979 -3.831 1.00 0.00 C ATOM 2096 CG ASN B 509 8.040 -5.110 -3.245 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.235 -4.950 -2.996 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.424 -6.256 -3.020 1.00 0.00 N ATOM 0 H ASN B 509 6.064 -5.747 -5.114 1.00 0.00 H new ATOM 0 HA ASN B 509 6.746 -3.074 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.593 -3.023 -3.483 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.180 -4.059 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.940 -7.044 -2.628 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.432 -6.353 -3.238 1.00 0.00 H new ATOM 2105 N PRO B 510 9.290 -2.929 -6.007 1.00 0.00 N ATOM 2106 CA PRO B 510 10.719 -2.856 -6.266 1.00 0.00 C ATOM 2107 C PRO B 510 11.553 -2.794 -4.981 1.00 0.00 C ATOM 2108 O PRO B 510 12.780 -2.807 -5.042 1.00 0.00 O ATOM 2109 CB PRO B 510 10.871 -1.538 -7.048 1.00 0.00 C ATOM 2110 CG PRO B 510 9.505 -0.923 -7.103 1.00 0.00 C ATOM 2111 CD PRO B 510 8.707 -1.587 -6.022 1.00 0.00 C ATOM 0 HA PRO B 510 11.074 -3.739 -6.797 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.578 -0.872 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.255 -1.723 -8.051 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.556 0.154 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.046 -1.080 -8.079 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.817 -1.082 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.642 -1.606 -6.252 1.00 0.00 H new ATOM 2119 N GLN B 511 10.892 -2.737 -3.820 1.00 0.00 N ATOM 2120 CA GLN B 511 11.595 -2.604 -2.538 1.00 0.00 C ATOM 2121 C GLN B 511 12.531 -3.778 -2.301 1.00 0.00 C ATOM 2122 O GLN B 511 13.656 -3.611 -1.830 1.00 0.00 O ATOM 2123 CB GLN B 511 10.602 -2.490 -1.379 1.00 0.00 C ATOM 2124 CG GLN B 511 10.016 -1.097 -1.179 1.00 0.00 C ATOM 2125 CD GLN B 511 10.046 -0.253 -2.435 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.123 -0.289 -3.232 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.111 0.512 -2.616 1.00 0.00 N ATOM 0 H GLN B 511 9.876 -2.781 -3.741 1.00 0.00 H new ATOM 0 HA GLN B 511 12.188 -1.691 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.786 -3.192 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.101 -2.795 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.986 -1.189 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.570 -0.586 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.861 0.513 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.181 1.100 -3.446 1.00 0.00 H new