USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot 41:sc= 0.00498 USER MOD Set 1.2: A 42 SER OG : rot 135:sc= 0.75 USER MOD Set 2.1: A 33 MET CE :methyl -157:sc= -1.56 (180deg=-3.31!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -1.16 K(o=-2.7,f=-9.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0939) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 170:sc= 0 (180deg=-0.0463) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 1.17 (180deg=1.09) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : +bothHN:sc= -1.45 K(o=-1.5,f=-4.3) USER MOD Single : A 29 CYS SG : rot 180:sc= -3.15! USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0136 (180deg=-0.128) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.89! C(o=-1.9!,f=-6.7!) USER MOD Single : A 49 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.57) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= -1.98! (180deg=-2.14!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.0213 (180deg=-0.163) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.113 (180deg=-0.479) USER MOD Single : A 65 TYR OH : rot 32:sc= 0.816 USER MOD Single : A 66 ASN : amide:sc= 0.719 K(o=0.72,f=-0.0079) USER MOD Single : A 69 ASN : amide:sc= 0.888 K(o=0.89,f=-5.4!) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc=-0.00946 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 1.787 4.617 5.517 1.00 14.23 N ATOM 177 CA ILE A 12 0.634 5.222 4.913 1.00 73.13 C ATOM 178 C ILE A 12 -0.571 4.944 5.770 1.00 54.04 C ATOM 179 O ILE A 12 -0.596 3.955 6.500 1.00 40.02 O ATOM 180 CB ILE A 12 0.399 4.603 3.520 1.00 64.53 C ATOM 181 CG1 ILE A 12 1.708 4.559 2.750 1.00 14.24 C ATOM 182 CG2 ILE A 12 -0.632 5.426 2.736 1.00 53.13 C ATOM 183 CD1 ILE A 12 1.605 3.840 1.448 1.00 33.01 C ATOM 0 HA ILE A 12 0.794 6.296 4.820 1.00 73.13 H new ATOM 0 HB ILE A 12 0.018 3.590 3.648 1.00 64.53 H new ATOM 0 HG12 ILE A 12 2.048 5.578 2.568 1.00 14.24 H new ATOM 0 HG13 ILE A 12 2.467 4.075 3.365 1.00 14.24 H new ATOM 0 HG21 ILE A 12 -0.787 4.976 1.755 1.00 53.13 H new ATOM 0 HG22 ILE A 12 -1.576 5.441 3.281 1.00 53.13 H new ATOM 0 HG23 ILE A 12 -0.267 6.446 2.614 1.00 53.13 H new ATOM 0 HD11 ILE A 12 2.575 3.846 0.951 1.00 33.01 H new ATOM 0 HD12 ILE A 12 1.295 2.810 1.625 1.00 33.01 H new ATOM 0 HD13 ILE A 12 0.870 4.337 0.815 1.00 33.01 H new ATOM 195 N ARG A 13 -1.512 5.832 5.771 1.00 62.31 N ATOM 196 CA ARG A 13 -2.750 5.567 6.434 1.00 61.12 C ATOM 197 C ARG A 13 -3.701 4.955 5.412 1.00 2.23 C ATOM 198 O ARG A 13 -3.587 5.222 4.216 1.00 5.21 O ATOM 199 CB ARG A 13 -3.343 6.837 6.962 1.00 5.40 C ATOM 200 CG ARG A 13 -2.455 7.590 7.933 1.00 2.45 C ATOM 201 CD ARG A 13 -3.065 8.931 8.272 1.00 54.14 C ATOM 202 NE ARG A 13 -3.250 9.742 7.067 1.00 23.45 N ATOM 203 CZ ARG A 13 -3.667 10.998 7.034 1.00 63.10 C ATOM 204 NH1 ARG A 13 -3.914 11.660 8.156 1.00 3.34 N ATOM 205 NH2 ARG A 13 -3.830 11.598 5.875 1.00 55.10 N ATOM 0 H ARG A 13 -1.449 6.745 5.322 1.00 62.31 H new ATOM 0 HA ARG A 13 -2.585 4.890 7.272 1.00 61.12 H new ATOM 0 HB2 ARG A 13 -3.577 7.491 6.122 1.00 5.40 H new ATOM 0 HB3 ARG A 13 -4.286 6.604 7.457 1.00 5.40 H new ATOM 0 HG2 ARG A 13 -2.320 7.004 8.842 1.00 2.45 H new ATOM 0 HG3 ARG A 13 -1.467 7.733 7.496 1.00 2.45 H new ATOM 0 HD2 ARG A 13 -4.025 8.783 8.766 1.00 54.14 H new ATOM 0 HD3 ARG A 13 -2.422 9.460 8.976 1.00 54.14 H new ATOM 0 HE ARG A 13 -3.039 9.299 6.173 1.00 23.45 H new ATOM 0 HH11 ARG A 13 -3.783 11.202 9.058 1.00 3.34 H new ATOM 0 HH12 ARG A 13 -4.235 12.627 8.117 1.00 3.34 H new ATOM 0 HH21 ARG A 13 -3.635 11.096 5.009 1.00 55.10 H new ATOM 0 HH22 ARG A 13 -4.151 12.566 5.842 1.00 55.10 H new ATOM 219 N TYR A 14 -4.638 4.180 5.876 1.00 25.23 N ATOM 220 CA TYR A 14 -5.580 3.466 5.003 1.00 62.53 C ATOM 221 C TYR A 14 -6.484 4.456 4.298 1.00 53.15 C ATOM 222 O TYR A 14 -6.889 4.259 3.154 1.00 4.44 O ATOM 223 CB TYR A 14 -6.408 2.505 5.853 1.00 11.11 C ATOM 224 CG TYR A 14 -5.541 1.620 6.705 1.00 13.24 C ATOM 225 CD1 TYR A 14 -4.952 0.492 6.181 1.00 41.11 C ATOM 226 CD2 TYR A 14 -5.279 1.945 8.033 1.00 23.22 C ATOM 227 CE1 TYR A 14 -4.134 -0.295 6.947 1.00 4.12 C ATOM 228 CE2 TYR A 14 -4.453 1.167 8.806 1.00 3.41 C ATOM 229 CZ TYR A 14 -3.883 0.046 8.260 1.00 31.32 C ATOM 230 OH TYR A 14 -3.049 -0.740 9.028 1.00 65.23 O ATOM 0 H TYR A 14 -4.787 4.012 6.871 1.00 25.23 H new ATOM 0 HA TYR A 14 -5.031 2.904 4.248 1.00 62.53 H new ATOM 0 HB2 TYR A 14 -7.083 3.075 6.491 1.00 11.11 H new ATOM 0 HB3 TYR A 14 -7.029 1.888 5.203 1.00 11.11 H new ATOM 0 HD1 TYR A 14 -5.137 0.224 5.151 1.00 41.11 H new ATOM 0 HD2 TYR A 14 -5.734 2.825 8.463 1.00 23.22 H new ATOM 0 HE1 TYR A 14 -3.686 -1.182 6.524 1.00 4.12 H new ATOM 0 HE2 TYR A 14 -4.254 1.435 9.833 1.00 3.41 H new ATOM 0 HH TYR A 14 -2.978 -0.359 9.928 1.00 65.23 H new ATOM 240 N SER A 15 -6.740 5.545 4.977 1.00 61.13 N ATOM 241 CA SER A 15 -7.586 6.602 4.488 1.00 24.34 C ATOM 242 C SER A 15 -6.908 7.384 3.347 1.00 44.45 C ATOM 243 O SER A 15 -7.562 8.151 2.629 1.00 33.31 O ATOM 244 CB SER A 15 -7.906 7.529 5.641 1.00 72.43 C ATOM 245 OG SER A 15 -8.428 6.786 6.742 1.00 42.44 O ATOM 0 H SER A 15 -6.357 5.725 5.905 1.00 61.13 H new ATOM 0 HA SER A 15 -8.501 6.170 4.084 1.00 24.34 H new ATOM 0 HB2 SER A 15 -7.007 8.063 5.947 1.00 72.43 H new ATOM 0 HB3 SER A 15 -8.630 8.279 5.323 1.00 72.43 H new ATOM 0 HG SER A 15 -8.630 7.396 7.482 1.00 42.44 H new ATOM 251 N ASP A 16 -5.612 7.192 3.174 1.00 14.13 N ATOM 252 CA ASP A 16 -4.895 7.869 2.098 1.00 10.13 C ATOM 253 C ASP A 16 -4.884 7.011 0.880 1.00 12.53 C ATOM 254 O ASP A 16 -4.606 7.479 -0.211 1.00 43.44 O ATOM 255 CB ASP A 16 -3.447 8.210 2.476 1.00 62.25 C ATOM 256 CG ASP A 16 -3.346 9.146 3.642 1.00 71.42 C ATOM 257 OD1 ASP A 16 -3.900 10.261 3.574 1.00 71.35 O ATOM 258 OD2 ASP A 16 -2.697 8.789 4.642 1.00 25.53 O ATOM 0 H ASP A 16 -5.037 6.582 3.755 1.00 14.13 H new ATOM 0 HA ASP A 16 -5.421 8.805 1.908 1.00 10.13 H new ATOM 0 HB2 ASP A 16 -2.913 7.289 2.710 1.00 62.25 H new ATOM 0 HB3 ASP A 16 -2.949 8.657 1.615 1.00 62.25 H new ATOM 263 N VAL A 17 -5.183 5.757 1.066 1.00 12.34 N ATOM 264 CA VAL A 17 -5.143 4.806 -0.011 1.00 3.52 C ATOM 265 C VAL A 17 -6.462 4.751 -0.745 1.00 40.45 C ATOM 266 O VAL A 17 -7.527 4.601 -0.127 1.00 11.40 O ATOM 267 CB VAL A 17 -4.829 3.381 0.492 1.00 2.51 C ATOM 268 CG1 VAL A 17 -4.609 2.421 -0.664 1.00 41.23 C ATOM 269 CG2 VAL A 17 -3.682 3.360 1.482 1.00 4.20 C ATOM 0 H VAL A 17 -5.461 5.364 1.966 1.00 12.34 H new ATOM 0 HA VAL A 17 -4.351 5.144 -0.680 1.00 3.52 H new ATOM 0 HB VAL A 17 -5.706 3.033 1.037 1.00 2.51 H new ATOM 0 HG11 VAL A 17 -4.390 1.427 -0.275 1.00 41.23 H new ATOM 0 HG12 VAL A 17 -5.508 2.380 -1.279 1.00 41.23 H new ATOM 0 HG13 VAL A 17 -3.771 2.766 -1.269 1.00 41.23 H new ATOM 0 HG21 VAL A 17 -3.500 2.335 1.806 1.00 4.20 H new ATOM 0 HG22 VAL A 17 -2.784 3.755 1.007 1.00 4.20 H new ATOM 0 HG23 VAL A 17 -3.936 3.974 2.346 1.00 4.20 H new ATOM 279 N LYS A 18 -6.408 4.890 -2.036 1.00 1.22 N ATOM 280 CA LYS A 18 -7.580 4.646 -2.854 1.00 73.44 C ATOM 281 C LYS A 18 -7.543 3.248 -3.408 1.00 54.21 C ATOM 282 O LYS A 18 -8.560 2.573 -3.489 1.00 63.42 O ATOM 283 CB LYS A 18 -7.718 5.635 -3.995 1.00 74.32 C ATOM 284 CG LYS A 18 -8.129 7.024 -3.571 1.00 73.00 C ATOM 285 CD LYS A 18 -8.347 7.948 -4.773 1.00 11.11 C ATOM 286 CE LYS A 18 -9.418 7.409 -5.720 1.00 24.12 C ATOM 287 NZ LYS A 18 -10.720 7.205 -5.046 1.00 1.01 N ATOM 0 H LYS A 18 -5.574 5.169 -2.553 1.00 1.22 H new ATOM 0 HA LYS A 18 -8.446 4.773 -2.204 1.00 73.44 H new ATOM 0 HB2 LYS A 18 -6.767 5.696 -4.523 1.00 74.32 H new ATOM 0 HB3 LYS A 18 -8.452 5.253 -4.704 1.00 74.32 H new ATOM 0 HG2 LYS A 18 -9.047 6.968 -2.985 1.00 73.00 H new ATOM 0 HG3 LYS A 18 -7.362 7.447 -2.922 1.00 73.00 H new ATOM 0 HD2 LYS A 18 -8.638 8.938 -4.422 1.00 11.11 H new ATOM 0 HD3 LYS A 18 -7.409 8.065 -5.315 1.00 11.11 H new ATOM 0 HE2 LYS A 18 -9.547 8.103 -6.550 1.00 24.12 H new ATOM 0 HE3 LYS A 18 -9.080 6.464 -6.145 1.00 24.12 H new ATOM 0 HZ1 LYS A 18 -11.441 6.953 -5.752 1.00 1.01 H new ATOM 0 HZ2 LYS A 18 -10.634 6.437 -4.350 1.00 1.01 H new ATOM 0 HZ3 LYS A 18 -11.001 8.081 -4.562 1.00 1.01 H new ATOM 301 N LYS A 19 -6.361 2.803 -3.734 1.00 32.11 N ATOM 302 CA LYS A 19 -6.159 1.507 -4.377 1.00 41.23 C ATOM 303 C LYS A 19 -4.879 0.884 -3.918 1.00 50.05 C ATOM 304 O LYS A 19 -3.872 1.583 -3.703 1.00 60.14 O ATOM 305 CB LYS A 19 -6.111 1.598 -5.917 1.00 62.30 C ATOM 306 CG LYS A 19 -7.399 1.993 -6.619 1.00 42.32 C ATOM 307 CD LYS A 19 -7.196 1.939 -8.127 1.00 44.51 C ATOM 308 CE LYS A 19 -8.470 2.251 -8.886 1.00 54.32 C ATOM 309 NZ LYS A 19 -8.269 2.147 -10.349 1.00 45.02 N ATOM 0 H LYS A 19 -5.499 3.321 -3.566 1.00 32.11 H new ATOM 0 HA LYS A 19 -7.017 0.900 -4.090 1.00 41.23 H new ATOM 0 HB2 LYS A 19 -5.340 2.318 -6.191 1.00 62.30 H new ATOM 0 HB3 LYS A 19 -5.795 0.630 -6.305 1.00 62.30 H new ATOM 0 HG2 LYS A 19 -8.206 1.321 -6.326 1.00 42.32 H new ATOM 0 HG3 LYS A 19 -7.696 2.998 -6.318 1.00 42.32 H new ATOM 0 HD2 LYS A 19 -6.421 2.650 -8.414 1.00 44.51 H new ATOM 0 HD3 LYS A 19 -6.840 0.948 -8.409 1.00 44.51 H new ATOM 0 HE2 LYS A 19 -9.257 1.564 -8.576 1.00 54.32 H new ATOM 0 HE3 LYS A 19 -8.808 3.256 -8.635 1.00 54.32 H new ATOM 0 HZ1 LYS A 19 -9.160 2.367 -10.838 1.00 45.02 H new ATOM 0 HZ2 LYS A 19 -7.535 2.821 -10.647 1.00 45.02 H new ATOM 0 HZ3 LYS A 19 -7.971 1.180 -10.591 1.00 45.02 H new ATOM 323 N LEU A 20 -4.917 -0.402 -3.782 1.00 44.22 N ATOM 324 CA LEU A 20 -3.783 -1.189 -3.406 1.00 2.41 C ATOM 325 C LEU A 20 -3.612 -2.217 -4.506 1.00 71.22 C ATOM 326 O LEU A 20 -4.540 -2.977 -4.782 1.00 70.24 O ATOM 327 CB LEU A 20 -4.110 -1.864 -2.041 1.00 54.25 C ATOM 328 CG LEU A 20 -3.021 -2.690 -1.303 1.00 22.31 C ATOM 329 CD1 LEU A 20 -3.549 -3.079 0.063 1.00 73.21 C ATOM 330 CD2 LEU A 20 -2.631 -3.957 -2.063 1.00 62.05 C ATOM 0 H LEU A 20 -5.762 -0.952 -3.934 1.00 44.22 H new ATOM 0 HA LEU A 20 -2.867 -0.610 -3.290 1.00 2.41 H new ATOM 0 HB2 LEU A 20 -4.437 -1.078 -1.361 1.00 54.25 H new ATOM 0 HB3 LEU A 20 -4.964 -2.523 -2.201 1.00 54.25 H new ATOM 0 HG LEU A 20 -2.129 -2.068 -1.223 1.00 22.31 H new ATOM 0 HD11 LEU A 20 -2.794 -3.660 0.593 1.00 73.21 H new ATOM 0 HD12 LEU A 20 -3.781 -2.179 0.633 1.00 73.21 H new ATOM 0 HD13 LEU A 20 -4.452 -3.678 -0.053 1.00 73.21 H new ATOM 0 HD21 LEU A 20 -1.867 -4.496 -1.503 1.00 62.05 H new ATOM 0 HD22 LEU A 20 -3.508 -4.593 -2.185 1.00 62.05 H new ATOM 0 HD23 LEU A 20 -2.239 -3.687 -3.044 1.00 62.05 H new ATOM 342 N GLU A 21 -2.474 -2.245 -5.141 1.00 12.31 N ATOM 343 CA GLU A 21 -2.252 -3.200 -6.194 1.00 64.32 C ATOM 344 C GLU A 21 -0.937 -3.839 -5.991 1.00 52.32 C ATOM 345 O GLU A 21 0.004 -3.184 -5.563 1.00 65.24 O ATOM 346 CB GLU A 21 -2.294 -2.552 -7.584 1.00 62.05 C ATOM 347 CG GLU A 21 -3.628 -1.938 -7.965 1.00 25.42 C ATOM 348 CD GLU A 21 -3.635 -1.430 -9.381 1.00 52.32 C ATOM 349 OE1 GLU A 21 -3.780 -2.258 -10.323 1.00 74.20 O ATOM 350 OE2 GLU A 21 -3.475 -0.226 -9.593 1.00 23.03 O ATOM 0 H GLU A 21 -1.689 -1.622 -4.951 1.00 12.31 H new ATOM 0 HA GLU A 21 -3.053 -3.938 -6.153 1.00 64.32 H new ATOM 0 HB2 GLU A 21 -1.528 -1.778 -7.631 1.00 62.05 H new ATOM 0 HB3 GLU A 21 -2.032 -3.305 -8.327 1.00 62.05 H new ATOM 0 HG2 GLU A 21 -4.416 -2.681 -7.843 1.00 25.42 H new ATOM 0 HG3 GLU A 21 -3.856 -1.117 -7.285 1.00 25.42 H new ATOM 357 N MET A 22 -0.842 -5.098 -6.256 1.00 20.32 N ATOM 358 CA MET A 22 0.409 -5.730 -6.123 1.00 62.12 C ATOM 359 C MET A 22 1.009 -5.979 -7.478 1.00 40.14 C ATOM 360 O MET A 22 0.518 -6.790 -8.260 1.00 42.14 O ATOM 361 CB MET A 22 0.291 -7.021 -5.320 1.00 32.32 C ATOM 362 CG MET A 22 -0.128 -6.815 -3.875 1.00 53.11 C ATOM 363 SD MET A 22 -0.231 -8.365 -2.952 1.00 10.23 S ATOM 364 CE MET A 22 -0.715 -7.764 -1.334 1.00 31.45 C ATOM 0 H MET A 22 -1.610 -5.696 -6.562 1.00 20.32 H new ATOM 0 HA MET A 22 1.075 -5.067 -5.571 1.00 62.12 H new ATOM 0 HB2 MET A 22 -0.432 -7.675 -5.807 1.00 32.32 H new ATOM 0 HB3 MET A 22 1.251 -7.537 -5.339 1.00 32.32 H new ATOM 0 HG2 MET A 22 0.585 -6.152 -3.385 1.00 53.11 H new ATOM 0 HG3 MET A 22 -1.097 -6.316 -3.849 1.00 53.11 H new ATOM 0 HE1 MET A 22 -0.991 -8.607 -0.700 1.00 31.45 H new ATOM 0 HE2 MET A 22 0.119 -7.227 -0.881 1.00 31.45 H new ATOM 0 HE3 MET A 22 -1.567 -7.092 -1.435 1.00 31.45 H new ATOM 374 N LYS A 23 2.056 -5.256 -7.741 1.00 24.13 N ATOM 375 CA LYS A 23 2.852 -5.357 -8.928 1.00 50.13 C ATOM 376 C LYS A 23 4.217 -4.744 -8.665 1.00 4.31 C ATOM 377 O LYS A 23 4.309 -3.710 -8.018 1.00 51.11 O ATOM 378 CB LYS A 23 2.107 -4.861 -10.222 1.00 60.43 C ATOM 379 CG LYS A 23 1.418 -3.482 -10.179 1.00 63.13 C ATOM 380 CD LYS A 23 2.372 -2.305 -10.202 1.00 21.01 C ATOM 381 CE LYS A 23 1.588 -0.992 -10.148 1.00 15.33 C ATOM 382 NZ LYS A 23 2.461 0.200 -10.174 1.00 43.51 N ATOM 0 H LYS A 23 2.396 -4.541 -7.098 1.00 24.13 H new ATOM 0 HA LYS A 23 3.026 -6.406 -9.166 1.00 50.13 H new ATOM 0 HB2 LYS A 23 2.829 -4.848 -11.038 1.00 60.43 H new ATOM 0 HB3 LYS A 23 1.351 -5.604 -10.477 1.00 60.43 H new ATOM 0 HG2 LYS A 23 0.740 -3.401 -11.029 1.00 63.13 H new ATOM 0 HG3 LYS A 23 0.808 -3.422 -9.278 1.00 63.13 H new ATOM 0 HD2 LYS A 23 3.056 -2.364 -9.355 1.00 21.01 H new ATOM 0 HD3 LYS A 23 2.980 -2.338 -11.106 1.00 21.01 H new ATOM 0 HE2 LYS A 23 0.900 -0.951 -10.992 1.00 15.33 H new ATOM 0 HE3 LYS A 23 0.983 -0.973 -9.242 1.00 15.33 H new ATOM 0 HZ1 LYS A 23 1.935 1.024 -9.819 1.00 43.51 H new ATOM 0 HZ2 LYS A 23 3.293 0.035 -9.572 1.00 43.51 H new ATOM 0 HZ3 LYS A 23 2.771 0.382 -11.150 1.00 43.51 H new ATOM 396 N PRO A 24 5.303 -5.393 -9.101 1.00 21.30 N ATOM 397 CA PRO A 24 6.649 -4.939 -8.790 1.00 51.25 C ATOM 398 C PRO A 24 6.998 -3.576 -9.384 1.00 43.42 C ATOM 399 O PRO A 24 6.629 -3.253 -10.530 1.00 62.33 O ATOM 400 CB PRO A 24 7.552 -6.046 -9.324 1.00 2.11 C ATOM 401 CG PRO A 24 6.747 -6.716 -10.371 1.00 10.00 C ATOM 402 CD PRO A 24 5.310 -6.604 -9.940 1.00 4.03 C ATOM 0 HA PRO A 24 6.767 -4.775 -7.719 1.00 51.25 H new ATOM 0 HB2 PRO A 24 8.476 -5.639 -9.735 1.00 2.11 H new ATOM 0 HB3 PRO A 24 7.833 -6.743 -8.534 1.00 2.11 H new ATOM 0 HG2 PRO A 24 6.900 -6.242 -11.341 1.00 10.00 H new ATOM 0 HG3 PRO A 24 7.040 -7.760 -10.477 1.00 10.00 H new ATOM 0 HD2 PRO A 24 4.640 -6.506 -10.794 1.00 4.03 H new ATOM 0 HD3 PRO A 24 4.988 -7.483 -9.381 1.00 4.03 H new ATOM 410 N LYS A 25 7.701 -2.777 -8.589 1.00 4.43 N ATOM 411 CA LYS A 25 8.112 -1.440 -8.980 1.00 30.33 C ATOM 412 C LYS A 25 9.309 -1.593 -9.924 1.00 52.25 C ATOM 413 O LYS A 25 9.524 -0.798 -10.821 1.00 44.13 O ATOM 414 CB LYS A 25 8.470 -0.639 -7.697 1.00 41.04 C ATOM 415 CG LYS A 25 8.460 0.882 -7.815 1.00 34.42 C ATOM 416 CD LYS A 25 9.633 1.410 -8.594 1.00 12.14 C ATOM 417 CE LYS A 25 9.507 2.906 -8.807 1.00 32.20 C ATOM 418 NZ LYS A 25 10.648 3.483 -9.543 1.00 41.40 N ATOM 0 H LYS A 25 8.002 -3.043 -7.651 1.00 4.43 H new ATOM 0 HA LYS A 25 7.324 -0.894 -9.498 1.00 30.33 H new ATOM 0 HB2 LYS A 25 7.770 -0.924 -6.911 1.00 41.04 H new ATOM 0 HB3 LYS A 25 9.462 -0.948 -7.368 1.00 41.04 H new ATOM 0 HG2 LYS A 25 7.536 1.199 -8.298 1.00 34.42 H new ATOM 0 HG3 LYS A 25 8.465 1.320 -6.817 1.00 34.42 H new ATOM 0 HD2 LYS A 25 10.558 1.190 -8.061 1.00 12.14 H new ATOM 0 HD3 LYS A 25 9.693 0.904 -9.558 1.00 12.14 H new ATOM 0 HE2 LYS A 25 8.587 3.113 -9.354 1.00 32.20 H new ATOM 0 HE3 LYS A 25 9.420 3.399 -7.839 1.00 32.20 H new ATOM 0 HZ1 LYS A 25 10.505 4.507 -9.658 1.00 41.40 H new ATOM 0 HZ2 LYS A 25 11.526 3.313 -9.011 1.00 41.40 H new ATOM 0 HZ3 LYS A 25 10.719 3.036 -10.480 1.00 41.40 H new ATOM 432 N TYR A 26 10.052 -2.655 -9.704 1.00 73.32 N ATOM 433 CA TYR A 26 11.157 -3.048 -10.540 1.00 12.40 C ATOM 434 C TYR A 26 10.958 -4.498 -10.915 1.00 45.41 C ATOM 435 O TYR A 26 10.475 -5.273 -10.098 1.00 34.11 O ATOM 436 CB TYR A 26 12.505 -2.885 -9.807 1.00 31.22 C ATOM 437 CG TYR A 26 13.038 -1.482 -9.706 1.00 20.22 C ATOM 438 CD1 TYR A 26 12.706 -0.648 -8.654 1.00 45.24 C ATOM 439 CD2 TYR A 26 13.915 -1.008 -10.674 1.00 41.33 C ATOM 440 CE1 TYR A 26 13.233 0.629 -8.572 1.00 2.35 C ATOM 441 CE2 TYR A 26 14.449 0.255 -10.596 1.00 61.24 C ATOM 442 CZ TYR A 26 14.108 1.071 -9.547 1.00 30.25 C ATOM 443 OH TYR A 26 14.648 2.331 -9.463 1.00 44.22 O ATOM 0 H TYR A 26 9.897 -3.284 -8.916 1.00 73.32 H new ATOM 0 HA TYR A 26 11.185 -2.411 -11.424 1.00 12.40 H new ATOM 0 HB2 TYR A 26 12.398 -3.285 -8.799 1.00 31.22 H new ATOM 0 HB3 TYR A 26 13.249 -3.499 -10.316 1.00 31.22 H new ATOM 0 HD1 TYR A 26 12.029 -0.997 -7.889 1.00 45.24 H new ATOM 0 HD2 TYR A 26 14.182 -1.645 -11.504 1.00 41.33 H new ATOM 0 HE1 TYR A 26 12.962 1.277 -7.751 1.00 2.35 H new ATOM 0 HE2 TYR A 26 15.133 0.604 -11.356 1.00 61.24 H new ATOM 0 HH TYR A 26 15.243 2.483 -10.227 1.00 44.22 H new ATOM 453 N PRO A 27 11.308 -4.908 -12.141 1.00 42.44 N ATOM 454 CA PRO A 27 11.168 -6.313 -12.565 1.00 0.22 C ATOM 455 C PRO A 27 12.089 -7.232 -11.749 1.00 42.31 C ATOM 456 O PRO A 27 11.886 -8.436 -11.673 1.00 13.50 O ATOM 457 CB PRO A 27 11.601 -6.301 -14.038 1.00 50.51 C ATOM 458 CG PRO A 27 11.533 -4.870 -14.457 1.00 14.33 C ATOM 459 CD PRO A 27 11.822 -4.056 -13.230 1.00 33.42 C ATOM 0 HA PRO A 27 10.155 -6.689 -12.419 1.00 0.22 H new ATOM 0 HB2 PRO A 27 12.610 -6.697 -14.155 1.00 50.51 H new ATOM 0 HB3 PRO A 27 10.942 -6.921 -14.647 1.00 50.51 H new ATOM 0 HG2 PRO A 27 12.259 -4.660 -15.242 1.00 14.33 H new ATOM 0 HG3 PRO A 27 10.549 -4.629 -14.860 1.00 14.33 H new ATOM 0 HD2 PRO A 27 12.888 -3.857 -13.119 1.00 33.42 H new ATOM 0 HD3 PRO A 27 11.319 -3.089 -13.259 1.00 33.42 H new ATOM 467 N HIS A 28 13.083 -6.629 -11.121 1.00 34.42 N ATOM 468 CA HIS A 28 14.042 -7.355 -10.295 1.00 34.10 C ATOM 469 C HIS A 28 13.593 -7.381 -8.817 1.00 23.43 C ATOM 470 O HIS A 28 14.417 -7.463 -7.911 1.00 0.13 O ATOM 471 CB HIS A 28 15.471 -6.747 -10.419 1.00 24.44 C ATOM 472 CG HIS A 28 15.626 -5.344 -9.922 1.00 15.13 C ATOM 473 ND1 HIS A 28 15.783 -5.047 -8.600 1.00 34.02 N ATOM 474 CD2 HIS A 28 15.640 -4.158 -10.570 1.00 33.13 C ATOM 475 CE1 HIS A 28 15.876 -3.763 -8.450 1.00 63.12 C ATOM 476 NE2 HIS A 28 15.802 -3.197 -9.623 1.00 22.53 N ATOM 0 H HIS A 28 13.251 -5.624 -11.167 1.00 34.42 H new ATOM 0 HA HIS A 28 14.078 -8.381 -10.661 1.00 34.10 H new ATOM 0 HB2 HIS A 28 16.166 -7.385 -9.873 1.00 24.44 H new ATOM 0 HB3 HIS A 28 15.768 -6.776 -11.467 1.00 24.44 H new ATOM 0 HD1 HIS A 28 15.821 -5.731 -7.845 1.00 34.02 H new ATOM 0 HD2 HIS A 28 15.542 -4.004 -11.634 1.00 33.13 H new ATOM 0 HE1 HIS A 28 15.995 -3.247 -7.509 1.00 63.12 H new ATOM 0 HE2 HIS A 28 15.857 -2.194 -9.801 1.00 22.53 H new ATOM 485 N CYS A 29 12.304 -7.360 -8.589 1.00 22.41 N ATOM 486 CA CYS A 29 11.764 -7.412 -7.245 1.00 52.32 C ATOM 487 C CYS A 29 11.145 -8.772 -7.047 1.00 11.54 C ATOM 488 O CYS A 29 10.734 -9.418 -8.035 1.00 32.22 O ATOM 489 CB CYS A 29 10.686 -6.339 -7.066 1.00 12.13 C ATOM 490 SG CYS A 29 11.253 -4.612 -7.206 1.00 54.34 S ATOM 0 H CYS A 29 11.598 -7.307 -9.323 1.00 22.41 H new ATOM 0 HA CYS A 29 12.557 -7.235 -6.519 1.00 52.32 H new ATOM 0 HB2 CYS A 29 9.906 -6.507 -7.809 1.00 12.13 H new ATOM 0 HB3 CYS A 29 10.227 -6.472 -6.087 1.00 12.13 H new ATOM 0 HG CYS A 29 10.245 -3.809 -7.037 1.00 54.34 H new ATOM 495 N GLU A 30 11.098 -9.242 -5.815 1.00 2.24 N ATOM 496 CA GLU A 30 10.541 -10.537 -5.553 1.00 11.24 C ATOM 497 C GLU A 30 9.036 -10.399 -5.539 1.00 35.20 C ATOM 498 O GLU A 30 8.506 -9.549 -4.804 1.00 60.23 O ATOM 499 CB GLU A 30 10.957 -11.058 -4.157 1.00 64.04 C ATOM 500 CG GLU A 30 12.364 -10.744 -3.691 1.00 64.53 C ATOM 501 CD GLU A 30 12.519 -9.292 -3.232 1.00 51.40 C ATOM 502 OE1 GLU A 30 12.141 -8.969 -2.081 1.00 42.12 O ATOM 503 OE2 GLU A 30 12.979 -8.461 -4.016 1.00 64.45 O ATOM 0 H GLU A 30 11.438 -8.744 -4.992 1.00 2.24 H new ATOM 0 HA GLU A 30 10.896 -11.227 -6.318 1.00 11.24 H new ATOM 0 HB2 GLU A 30 10.260 -10.652 -3.424 1.00 64.04 H new ATOM 0 HB3 GLU A 30 10.833 -12.141 -4.150 1.00 64.04 H new ATOM 0 HG2 GLU A 30 12.629 -11.411 -2.871 1.00 64.53 H new ATOM 0 HG3 GLU A 30 13.065 -10.942 -4.502 1.00 64.53 H new ATOM 510 N GLU A 31 8.356 -11.251 -6.299 1.00 51.50 N ATOM 511 CA GLU A 31 6.897 -11.275 -6.373 1.00 74.44 C ATOM 512 C GLU A 31 6.275 -9.894 -6.634 1.00 14.31 C ATOM 513 O GLU A 31 6.926 -8.978 -7.166 1.00 12.44 O ATOM 514 CB GLU A 31 6.308 -11.955 -5.135 1.00 42.24 C ATOM 515 CG GLU A 31 6.631 -13.435 -5.071 1.00 61.44 C ATOM 516 CD GLU A 31 6.106 -14.166 -6.287 1.00 74.42 C ATOM 517 OE1 GLU A 31 6.839 -14.276 -7.298 1.00 33.34 O ATOM 518 OE2 GLU A 31 4.945 -14.621 -6.265 1.00 34.24 O ATOM 0 H GLU A 31 8.806 -11.952 -6.888 1.00 51.50 H new ATOM 0 HA GLU A 31 6.632 -11.871 -7.246 1.00 74.44 H new ATOM 0 HB2 GLU A 31 6.690 -11.465 -4.240 1.00 42.24 H new ATOM 0 HB3 GLU A 31 5.226 -11.823 -5.133 1.00 42.24 H new ATOM 0 HG2 GLU A 31 7.710 -13.571 -5.000 1.00 61.44 H new ATOM 0 HG3 GLU A 31 6.196 -13.866 -4.169 1.00 61.44 H new ATOM 525 N LYS A 32 5.022 -9.774 -6.327 1.00 64.15 N ATOM 526 CA LYS A 32 4.302 -8.563 -6.554 1.00 31.34 C ATOM 527 C LYS A 32 4.438 -7.615 -5.375 1.00 31.53 C ATOM 528 O LYS A 32 4.007 -7.910 -4.258 1.00 73.20 O ATOM 529 CB LYS A 32 2.852 -8.883 -6.828 1.00 74.12 C ATOM 530 CG LYS A 32 2.660 -9.867 -7.962 1.00 52.00 C ATOM 531 CD LYS A 32 3.199 -9.354 -9.279 1.00 53.15 C ATOM 532 CE LYS A 32 2.955 -10.344 -10.413 1.00 22.32 C ATOM 533 NZ LYS A 32 3.645 -11.635 -10.196 1.00 74.03 N ATOM 0 H LYS A 32 4.466 -10.520 -5.909 1.00 64.15 H new ATOM 0 HA LYS A 32 4.724 -8.060 -7.424 1.00 31.34 H new ATOM 0 HB2 LYS A 32 2.400 -9.289 -5.923 1.00 74.12 H new ATOM 0 HB3 LYS A 32 2.322 -7.960 -7.063 1.00 74.12 H new ATOM 0 HG2 LYS A 32 3.156 -10.805 -7.712 1.00 52.00 H new ATOM 0 HG3 LYS A 32 1.598 -10.088 -8.070 1.00 52.00 H new ATOM 0 HD2 LYS A 32 2.726 -8.402 -9.519 1.00 53.15 H new ATOM 0 HD3 LYS A 32 4.268 -9.164 -9.185 1.00 53.15 H new ATOM 0 HE2 LYS A 32 1.884 -10.520 -10.513 1.00 22.32 H new ATOM 0 HE3 LYS A 32 3.295 -9.907 -11.352 1.00 22.32 H new ATOM 0 HZ1 LYS A 32 3.590 -12.208 -11.062 1.00 74.03 H new ATOM 0 HZ2 LYS A 32 4.642 -11.460 -9.959 1.00 74.03 H new ATOM 0 HZ3 LYS A 32 3.188 -12.146 -9.414 1.00 74.03 H new ATOM 547 N MET A 33 5.069 -6.509 -5.638 1.00 23.25 N ATOM 548 CA MET A 33 5.276 -5.450 -4.678 1.00 71.23 C ATOM 549 C MET A 33 3.978 -4.745 -4.381 1.00 31.35 C ATOM 550 O MET A 33 3.082 -4.705 -5.213 1.00 45.12 O ATOM 551 CB MET A 33 6.257 -4.451 -5.248 1.00 44.42 C ATOM 552 CG MET A 33 7.642 -5.019 -5.502 1.00 72.24 C ATOM 553 SD MET A 33 8.509 -5.421 -3.991 1.00 31.21 S ATOM 554 CE MET A 33 8.546 -3.795 -3.283 1.00 74.33 C ATOM 0 H MET A 33 5.469 -6.307 -6.554 1.00 23.25 H new ATOM 0 HA MET A 33 5.665 -5.882 -3.756 1.00 71.23 H new ATOM 0 HB2 MET A 33 5.859 -4.060 -6.184 1.00 44.42 H new ATOM 0 HB3 MET A 33 6.342 -3.609 -4.562 1.00 44.42 H new ATOM 0 HG2 MET A 33 7.556 -5.915 -6.116 1.00 72.24 H new ATOM 0 HG3 MET A 33 8.228 -4.297 -6.071 1.00 72.24 H new ATOM 0 HE1 MET A 33 9.365 -3.729 -2.566 1.00 74.33 H new ATOM 0 HE2 MET A 33 8.694 -3.058 -4.072 1.00 74.33 H new ATOM 0 HE3 MET A 33 7.602 -3.598 -2.775 1.00 74.33 H new ATOM 564 N VAL A 34 3.897 -4.172 -3.226 1.00 70.13 N ATOM 565 CA VAL A 34 2.707 -3.491 -2.810 1.00 71.14 C ATOM 566 C VAL A 34 2.732 -2.055 -3.291 1.00 1.41 C ATOM 567 O VAL A 34 3.605 -1.274 -2.901 1.00 73.13 O ATOM 568 CB VAL A 34 2.559 -3.524 -1.279 1.00 64.45 C ATOM 569 CG1 VAL A 34 1.341 -2.723 -0.833 1.00 63.42 C ATOM 570 CG2 VAL A 34 2.462 -4.964 -0.787 1.00 51.41 C ATOM 0 H VAL A 34 4.652 -4.160 -2.540 1.00 70.13 H new ATOM 0 HA VAL A 34 1.853 -4.005 -3.251 1.00 71.14 H new ATOM 0 HB VAL A 34 3.445 -3.065 -0.840 1.00 64.45 H new ATOM 0 HG11 VAL A 34 1.258 -2.762 0.253 1.00 63.42 H new ATOM 0 HG12 VAL A 34 1.450 -1.686 -1.152 1.00 63.42 H new ATOM 0 HG13 VAL A 34 0.442 -3.147 -1.281 1.00 63.42 H new ATOM 0 HG21 VAL A 34 2.358 -4.972 0.298 1.00 51.41 H new ATOM 0 HG22 VAL A 34 1.594 -5.445 -1.238 1.00 51.41 H new ATOM 0 HG23 VAL A 34 3.365 -5.506 -1.068 1.00 51.41 H new ATOM 580 N ILE A 35 1.808 -1.728 -4.143 1.00 25.52 N ATOM 581 CA ILE A 35 1.695 -0.405 -4.672 1.00 13.43 C ATOM 582 C ILE A 35 0.489 0.253 -4.084 1.00 42.15 C ATOM 583 O ILE A 35 -0.616 -0.305 -4.103 1.00 74.21 O ATOM 584 CB ILE A 35 1.535 -0.429 -6.194 1.00 2.31 C ATOM 585 CG1 ILE A 35 2.683 -1.189 -6.827 1.00 30.23 C ATOM 586 CG2 ILE A 35 1.440 0.983 -6.756 1.00 23.14 C ATOM 587 CD1 ILE A 35 4.071 -0.606 -6.562 1.00 34.23 C ATOM 0 H ILE A 35 1.105 -2.379 -4.493 1.00 25.52 H new ATOM 0 HA ILE A 35 2.604 0.142 -4.420 1.00 13.43 H new ATOM 0 HB ILE A 35 0.604 -0.943 -6.436 1.00 2.31 H new ATOM 0 HG12 ILE A 35 2.662 -2.217 -6.464 1.00 30.23 H new ATOM 0 HG13 ILE A 35 2.522 -1.228 -7.904 1.00 30.23 H new ATOM 0 HG21 ILE A 35 1.327 0.937 -7.839 1.00 23.14 H new ATOM 0 HG22 ILE A 35 0.578 1.490 -6.322 1.00 23.14 H new ATOM 0 HG23 ILE A 35 2.347 1.535 -6.509 1.00 23.14 H new ATOM 0 HD11 ILE A 35 4.824 -1.220 -7.056 1.00 34.23 H new ATOM 0 HD12 ILE A 35 4.119 0.411 -6.952 1.00 34.23 H new ATOM 0 HD13 ILE A 35 4.261 -0.593 -5.489 1.00 34.23 H new ATOM 599 N ILE A 36 0.688 1.417 -3.571 1.00 22.51 N ATOM 600 CA ILE A 36 -0.365 2.155 -2.961 1.00 63.32 C ATOM 601 C ILE A 36 -0.617 3.450 -3.716 1.00 15.14 C ATOM 602 O ILE A 36 0.286 4.298 -3.853 1.00 4.03 O ATOM 603 CB ILE A 36 -0.053 2.432 -1.474 1.00 75.21 C ATOM 604 CG1 ILE A 36 0.020 1.114 -0.677 1.00 2.41 C ATOM 605 CG2 ILE A 36 -1.056 3.389 -0.861 1.00 54.21 C ATOM 606 CD1 ILE A 36 -1.281 0.339 -0.614 1.00 4.24 C ATOM 0 H ILE A 36 1.593 1.888 -3.562 1.00 22.51 H new ATOM 0 HA ILE A 36 -1.274 1.555 -3.005 1.00 63.32 H new ATOM 0 HB ILE A 36 0.923 2.914 -1.424 1.00 75.21 H new ATOM 0 HG12 ILE A 36 0.785 0.478 -1.122 1.00 2.41 H new ATOM 0 HG13 ILE A 36 0.344 1.337 0.340 1.00 2.41 H new ATOM 0 HG21 ILE A 36 -0.804 3.559 0.186 1.00 54.21 H new ATOM 0 HG22 ILE A 36 -1.031 4.336 -1.399 1.00 54.21 H new ATOM 0 HG23 ILE A 36 -2.056 2.960 -0.928 1.00 54.21 H new ATOM 0 HD11 ILE A 36 -1.134 -0.572 -0.034 1.00 4.24 H new ATOM 0 HD12 ILE A 36 -2.047 0.952 -0.139 1.00 4.24 H new ATOM 0 HD13 ILE A 36 -1.599 0.079 -1.624 1.00 4.24 H new ATOM 618 N THR A 37 -1.817 3.580 -4.220 1.00 3.32 N ATOM 619 CA THR A 37 -2.238 4.755 -4.936 1.00 4.21 C ATOM 620 C THR A 37 -3.015 5.661 -3.967 1.00 62.21 C ATOM 621 O THR A 37 -3.979 5.208 -3.322 1.00 44.43 O ATOM 622 CB THR A 37 -3.124 4.340 -6.124 1.00 3.05 C ATOM 623 OG1 THR A 37 -2.380 3.427 -6.958 1.00 55.33 O ATOM 624 CG2 THR A 37 -3.557 5.545 -6.942 1.00 24.13 C ATOM 0 H THR A 37 -2.538 2.863 -4.143 1.00 3.32 H new ATOM 0 HA THR A 37 -1.377 5.298 -5.325 1.00 4.21 H new ATOM 0 HB THR A 37 -4.024 3.860 -5.740 1.00 3.05 H new ATOM 0 HG1 THR A 37 -2.934 3.153 -7.719 1.00 55.33 H new ATOM 0 HG21 THR A 37 -4.181 5.216 -7.773 1.00 24.13 H new ATOM 0 HG22 THR A 37 -4.125 6.229 -6.310 1.00 24.13 H new ATOM 0 HG23 THR A 37 -2.676 6.057 -7.330 1.00 24.13 H new ATOM 632 N THR A 38 -2.598 6.912 -3.861 1.00 71.35 N ATOM 633 CA THR A 38 -3.141 7.810 -2.873 1.00 22.42 C ATOM 634 C THR A 38 -4.394 8.576 -3.329 1.00 21.41 C ATOM 635 O THR A 38 -4.647 8.739 -4.521 1.00 1.15 O ATOM 636 CB THR A 38 -2.040 8.789 -2.457 1.00 43.11 C ATOM 637 OG1 THR A 38 -1.426 9.350 -3.637 1.00 71.42 O ATOM 638 CG2 THR A 38 -0.984 8.068 -1.662 1.00 1.51 C ATOM 0 H THR A 38 -1.879 7.325 -4.455 1.00 71.35 H new ATOM 0 HA THR A 38 -3.474 7.201 -2.032 1.00 22.42 H new ATOM 0 HB THR A 38 -2.481 9.579 -1.849 1.00 43.11 H new ATOM 0 HG1 THR A 38 -2.117 9.549 -4.303 1.00 71.42 H new ATOM 0 HG21 THR A 38 -0.205 8.772 -1.370 1.00 1.51 H new ATOM 0 HG22 THR A 38 -1.434 7.634 -0.769 1.00 1.51 H new ATOM 0 HG23 THR A 38 -0.548 7.276 -2.271 1.00 1.51 H new ATOM 646 N LYS A 39 -5.157 9.040 -2.343 1.00 25.23 N ATOM 647 CA LYS A 39 -6.387 9.792 -2.555 1.00 34.32 C ATOM 648 C LYS A 39 -6.129 11.242 -2.930 1.00 30.23 C ATOM 649 O LYS A 39 -6.685 11.745 -3.897 1.00 25.31 O ATOM 650 CB LYS A 39 -7.261 9.712 -1.289 1.00 42.10 C ATOM 651 CG LYS A 39 -8.619 10.395 -1.402 1.00 55.14 C ATOM 652 CD LYS A 39 -9.407 10.251 -0.112 1.00 73.40 C ATOM 653 CE LYS A 39 -10.779 10.892 -0.221 1.00 3.43 C ATOM 654 NZ LYS A 39 -11.548 10.754 1.031 1.00 31.42 N ATOM 0 H LYS A 39 -4.933 8.901 -1.358 1.00 25.23 H new ATOM 0 HA LYS A 39 -6.909 9.340 -3.398 1.00 34.32 H new ATOM 0 HB2 LYS A 39 -7.418 8.663 -1.039 1.00 42.10 H new ATOM 0 HB3 LYS A 39 -6.714 10.159 -0.459 1.00 42.10 H new ATOM 0 HG2 LYS A 39 -8.481 11.451 -1.633 1.00 55.14 H new ATOM 0 HG3 LYS A 39 -9.182 9.959 -2.227 1.00 55.14 H new ATOM 0 HD2 LYS A 39 -9.517 9.194 0.132 1.00 73.40 H new ATOM 0 HD3 LYS A 39 -8.854 10.711 0.706 1.00 73.40 H new ATOM 0 HE2 LYS A 39 -10.668 11.948 -0.465 1.00 3.43 H new ATOM 0 HE3 LYS A 39 -11.332 10.431 -1.040 1.00 3.43 H new ATOM 0 HZ1 LYS A 39 -12.479 11.204 0.918 1.00 31.42 H new ATOM 0 HZ2 LYS A 39 -11.675 9.746 1.251 1.00 31.42 H new ATOM 0 HZ3 LYS A 39 -11.033 11.215 1.808 1.00 31.42 H new ATOM 668 N SER A 40 -5.265 11.888 -2.176 1.00 45.54 N ATOM 669 CA SER A 40 -4.970 13.300 -2.354 1.00 42.35 C ATOM 670 C SER A 40 -3.856 13.724 -1.414 1.00 24.11 C ATOM 671 O SER A 40 -2.914 14.409 -1.823 1.00 23.15 O ATOM 672 CB SER A 40 -6.239 14.152 -2.139 1.00 42.34 C ATOM 673 OG SER A 40 -6.877 13.816 -0.902 1.00 34.44 O ATOM 0 H SER A 40 -4.743 11.449 -1.418 1.00 45.54 H new ATOM 0 HA SER A 40 -4.632 13.463 -3.377 1.00 42.35 H new ATOM 0 HB2 SER A 40 -5.976 15.210 -2.142 1.00 42.34 H new ATOM 0 HB3 SER A 40 -6.932 13.994 -2.965 1.00 42.34 H new ATOM 0 HG SER A 40 -7.678 14.369 -0.786 1.00 34.44 H new ATOM 679 N VAL A 41 -3.959 13.305 -0.147 1.00 60.34 N ATOM 680 CA VAL A 41 -2.914 13.565 0.837 1.00 1.15 C ATOM 681 C VAL A 41 -1.721 12.667 0.514 1.00 51.13 C ATOM 682 O VAL A 41 -1.604 11.541 0.996 1.00 3.03 O ATOM 683 CB VAL A 41 -3.401 13.321 2.300 1.00 22.04 C ATOM 684 CG1 VAL A 41 -2.320 13.659 3.316 1.00 10.25 C ATOM 685 CG2 VAL A 41 -4.662 14.113 2.589 1.00 44.23 C ATOM 0 H VAL A 41 -4.758 12.785 0.216 1.00 60.34 H new ATOM 0 HA VAL A 41 -2.632 14.616 0.779 1.00 1.15 H new ATOM 0 HB VAL A 41 -3.626 12.259 2.393 1.00 22.04 H new ATOM 0 HG11 VAL A 41 -2.697 13.476 4.322 1.00 10.25 H new ATOM 0 HG12 VAL A 41 -1.445 13.035 3.137 1.00 10.25 H new ATOM 0 HG13 VAL A 41 -2.043 14.709 3.217 1.00 10.25 H new ATOM 0 HG21 VAL A 41 -4.982 13.927 3.614 1.00 44.23 H new ATOM 0 HG22 VAL A 41 -4.461 15.177 2.459 1.00 44.23 H new ATOM 0 HG23 VAL A 41 -5.450 13.806 1.902 1.00 44.23 H new ATOM 695 N SER A 42 -0.936 13.120 -0.411 1.00 35.33 N ATOM 696 CA SER A 42 0.171 12.389 -0.882 1.00 22.33 C ATOM 697 C SER A 42 1.430 13.234 -0.865 1.00 60.13 C ATOM 698 O SER A 42 1.393 14.419 -1.201 1.00 3.12 O ATOM 699 CB SER A 42 -0.129 11.890 -2.293 1.00 52.04 C ATOM 700 OG SER A 42 0.903 11.057 -2.796 1.00 52.32 O ATOM 0 H SER A 42 -1.059 14.027 -0.861 1.00 35.33 H new ATOM 0 HA SER A 42 0.344 11.537 -0.224 1.00 22.33 H new ATOM 0 HB2 SER A 42 -1.069 11.339 -2.290 1.00 52.04 H new ATOM 0 HB3 SER A 42 -0.262 12.743 -2.958 1.00 52.04 H new ATOM 0 HG SER A 42 0.508 10.264 -3.214 1.00 52.32 H new ATOM 706 N ARG A 43 2.531 12.629 -0.453 1.00 2.32 N ATOM 707 CA ARG A 43 3.848 13.260 -0.557 1.00 41.24 C ATOM 708 C ARG A 43 4.352 13.063 -1.994 1.00 64.25 C ATOM 709 O ARG A 43 5.355 13.645 -2.414 1.00 41.14 O ATOM 710 CB ARG A 43 4.853 12.586 0.397 1.00 43.35 C ATOM 711 CG ARG A 43 4.437 12.534 1.856 1.00 2.14 C ATOM 712 CD ARG A 43 4.290 13.906 2.490 1.00 13.32 C ATOM 713 NE ARG A 43 3.825 13.780 3.878 1.00 43.12 N ATOM 714 CZ ARG A 43 3.573 14.791 4.712 1.00 0.43 C ATOM 715 NH1 ARG A 43 3.849 16.049 4.356 1.00 13.02 N ATOM 716 NH2 ARG A 43 3.055 14.535 5.914 1.00 51.43 N ATOM 0 H ARG A 43 2.545 11.696 -0.040 1.00 2.32 H new ATOM 0 HA ARG A 43 3.762 14.315 -0.297 1.00 41.24 H new ATOM 0 HB2 ARG A 43 5.028 11.567 0.051 1.00 43.35 H new ATOM 0 HB3 ARG A 43 5.804 13.114 0.327 1.00 43.35 H new ATOM 0 HG2 ARG A 43 3.490 12.001 1.937 1.00 2.14 H new ATOM 0 HG3 ARG A 43 5.175 11.960 2.416 1.00 2.14 H new ATOM 0 HD2 ARG A 43 5.246 14.429 2.466 1.00 13.32 H new ATOM 0 HD3 ARG A 43 3.584 14.506 1.916 1.00 13.32 H new ATOM 0 HE ARG A 43 3.682 12.836 4.236 1.00 43.12 H new ATOM 0 HH11 ARG A 43 4.255 16.243 3.441 1.00 13.02 H new ATOM 0 HH12 ARG A 43 3.653 16.816 5.000 1.00 13.02 H new ATOM 0 HH21 ARG A 43 2.855 13.573 6.189 1.00 51.43 H new ATOM 0 HH22 ARG A 43 2.859 15.301 6.558 1.00 51.43 H new ATOM 730 N TYR A 44 3.636 12.223 -2.721 1.00 43.44 N ATOM 731 CA TYR A 44 4.002 11.795 -4.052 1.00 54.23 C ATOM 732 C TYR A 44 3.232 12.530 -5.152 1.00 64.51 C ATOM 733 O TYR A 44 3.793 12.815 -6.206 1.00 55.04 O ATOM 734 CB TYR A 44 3.843 10.262 -4.142 1.00 64.21 C ATOM 735 CG TYR A 44 4.879 9.536 -3.333 1.00 11.44 C ATOM 736 CD1 TYR A 44 4.722 9.344 -1.975 1.00 31.12 C ATOM 737 CD2 TYR A 44 6.045 9.076 -3.928 1.00 64.15 C ATOM 738 CE1 TYR A 44 5.690 8.707 -1.229 1.00 73.10 C ATOM 739 CE2 TYR A 44 7.024 8.445 -3.186 1.00 63.22 C ATOM 740 CZ TYR A 44 6.838 8.265 -1.835 1.00 62.35 C ATOM 741 OH TYR A 44 7.810 7.648 -1.080 1.00 4.41 O ATOM 0 H TYR A 44 2.763 11.812 -2.390 1.00 43.44 H new ATOM 0 HA TYR A 44 5.045 12.058 -4.227 1.00 54.23 H new ATOM 0 HB2 TYR A 44 2.849 9.980 -3.794 1.00 64.21 H new ATOM 0 HB3 TYR A 44 3.915 9.951 -5.184 1.00 64.21 H new ATOM 0 HD1 TYR A 44 3.825 9.699 -1.489 1.00 31.12 H new ATOM 0 HD2 TYR A 44 6.189 9.214 -4.989 1.00 64.15 H new ATOM 0 HE1 TYR A 44 5.545 8.556 -0.169 1.00 73.10 H new ATOM 0 HE2 TYR A 44 7.928 8.096 -3.662 1.00 63.22 H new ATOM 0 HH TYR A 44 8.560 7.393 -1.657 1.00 4.41 H new ATOM 751 N ARG A 45 1.955 12.836 -4.884 1.00 31.30 N ATOM 752 CA ARG A 45 1.066 13.554 -5.799 1.00 31.11 C ATOM 753 C ARG A 45 0.894 12.821 -7.136 1.00 35.20 C ATOM 754 O ARG A 45 1.674 13.013 -8.069 1.00 24.33 O ATOM 755 CB ARG A 45 1.546 14.975 -6.049 1.00 41.24 C ATOM 756 CG ARG A 45 0.576 15.770 -6.871 1.00 11.13 C ATOM 757 CD ARG A 45 1.161 17.099 -7.306 1.00 22.32 C ATOM 758 NE ARG A 45 1.578 17.922 -6.175 1.00 35.34 N ATOM 759 CZ ARG A 45 2.406 18.962 -6.262 1.00 22.42 C ATOM 760 NH1 ARG A 45 2.918 19.316 -7.438 1.00 20.53 N ATOM 761 NH2 ARG A 45 2.724 19.645 -5.177 1.00 64.31 N ATOM 0 H ARG A 45 1.504 12.584 -4.004 1.00 31.30 H new ATOM 0 HA ARG A 45 0.094 13.594 -5.307 1.00 31.11 H new ATOM 0 HB2 ARG A 45 1.704 15.476 -5.094 1.00 41.24 H new ATOM 0 HB3 ARG A 45 2.510 14.946 -6.557 1.00 41.24 H new ATOM 0 HG2 ARG A 45 0.288 15.194 -7.751 1.00 11.13 H new ATOM 0 HG3 ARG A 45 -0.332 15.944 -6.294 1.00 11.13 H new ATOM 0 HD2 ARG A 45 2.017 16.920 -7.957 1.00 22.32 H new ATOM 0 HD3 ARG A 45 0.422 17.643 -7.894 1.00 22.32 H new ATOM 0 HE ARG A 45 1.210 17.684 -5.254 1.00 35.34 H new ATOM 0 HH11 ARG A 45 2.677 18.790 -8.278 1.00 20.53 H new ATOM 0 HH12 ARG A 45 3.551 20.113 -7.499 1.00 20.53 H new ATOM 0 HH21 ARG A 45 2.336 19.376 -4.273 1.00 64.31 H new ATOM 0 HH22 ARG A 45 3.358 20.441 -5.243 1.00 64.31 H new ATOM 775 N GLY A 46 -0.094 11.954 -7.207 1.00 51.03 N ATOM 776 CA GLY A 46 -0.342 11.196 -8.435 1.00 2.44 C ATOM 777 C GLY A 46 0.711 10.120 -8.673 1.00 44.03 C ATOM 778 O GLY A 46 0.660 9.371 -9.657 1.00 20.10 O ATOM 0 H GLY A 46 -0.738 11.751 -6.442 1.00 51.03 H new ATOM 0 HA2 GLY A 46 -1.327 10.732 -8.380 1.00 2.44 H new ATOM 0 HA3 GLY A 46 -0.358 11.879 -9.284 1.00 2.44 H new ATOM 782 N GLN A 47 1.642 10.042 -7.768 1.00 62.14 N ATOM 783 CA GLN A 47 2.682 9.073 -7.802 1.00 12.51 C ATOM 784 C GLN A 47 2.415 8.001 -6.780 1.00 22.42 C ATOM 785 O GLN A 47 1.699 8.224 -5.794 1.00 54.41 O ATOM 786 CB GLN A 47 4.068 9.720 -7.658 1.00 54.24 C ATOM 787 CG GLN A 47 4.501 10.539 -8.864 1.00 20.50 C ATOM 788 CD GLN A 47 4.716 9.704 -10.117 1.00 60.23 C ATOM 789 OE1 GLN A 47 4.085 8.665 -10.318 1.00 42.12 O ATOM 790 NE2 GLN A 47 5.598 10.154 -10.968 1.00 52.24 N ATOM 0 H GLN A 47 1.695 10.671 -6.967 1.00 62.14 H new ATOM 0 HA GLN A 47 2.690 8.593 -8.781 1.00 12.51 H new ATOM 0 HB2 GLN A 47 4.067 10.363 -6.778 1.00 54.24 H new ATOM 0 HB3 GLN A 47 4.806 8.937 -7.480 1.00 54.24 H new ATOM 0 HG2 GLN A 47 3.746 11.298 -9.068 1.00 20.50 H new ATOM 0 HG3 GLN A 47 5.425 11.065 -8.624 1.00 20.50 H new ATOM 0 HE21 GLN A 47 6.103 11.018 -10.770 1.00 52.24 H new ATOM 0 HE22 GLN A 47 5.782 9.642 -11.831 1.00 52.24 H new ATOM 799 N GLU A 48 2.967 6.872 -7.013 1.00 1.51 N ATOM 800 CA GLU A 48 2.654 5.692 -6.272 1.00 62.24 C ATOM 801 C GLU A 48 3.589 5.493 -5.102 1.00 21.32 C ATOM 802 O GLU A 48 4.736 5.935 -5.114 1.00 11.55 O ATOM 803 CB GLU A 48 2.767 4.501 -7.208 1.00 52.52 C ATOM 804 CG GLU A 48 1.896 4.616 -8.445 1.00 51.53 C ATOM 805 CD GLU A 48 2.157 3.523 -9.440 1.00 43.43 C ATOM 806 OE1 GLU A 48 3.123 3.639 -10.217 1.00 60.23 O ATOM 807 OE2 GLU A 48 1.399 2.544 -9.480 1.00 21.44 O ATOM 0 H GLU A 48 3.668 6.729 -7.740 1.00 1.51 H new ATOM 0 HA GLU A 48 1.645 5.791 -5.873 1.00 62.24 H new ATOM 0 HB2 GLU A 48 3.807 4.388 -7.515 1.00 52.52 H new ATOM 0 HB3 GLU A 48 2.495 3.596 -6.665 1.00 52.52 H new ATOM 0 HG2 GLU A 48 0.847 4.590 -8.150 1.00 51.53 H new ATOM 0 HG3 GLU A 48 2.070 5.582 -8.919 1.00 51.53 H new ATOM 814 N HIS A 49 3.084 4.859 -4.090 1.00 62.32 N ATOM 815 CA HIS A 49 3.886 4.428 -2.975 1.00 42.40 C ATOM 816 C HIS A 49 4.237 2.991 -3.195 1.00 33.43 C ATOM 817 O HIS A 49 3.510 2.278 -3.896 1.00 23.12 O ATOM 818 CB HIS A 49 3.133 4.514 -1.664 1.00 13.23 C ATOM 819 CG HIS A 49 2.954 5.857 -1.056 1.00 53.01 C ATOM 820 ND1 HIS A 49 3.577 6.217 0.115 1.00 43.14 N ATOM 821 CD2 HIS A 49 2.137 6.872 -1.370 1.00 41.43 C ATOM 822 CE1 HIS A 49 3.138 7.390 0.505 1.00 63.23 C ATOM 823 NE2 HIS A 49 2.261 7.817 -0.379 1.00 25.42 N ATOM 0 H HIS A 49 2.095 4.621 -4.009 1.00 62.32 H new ATOM 0 HA HIS A 49 4.762 5.074 -2.915 1.00 42.40 H new ATOM 0 HB2 HIS A 49 2.144 4.081 -1.816 1.00 13.23 H new ATOM 0 HB3 HIS A 49 3.649 3.884 -0.939 1.00 13.23 H new ATOM 0 HD2 HIS A 49 1.500 6.936 -2.240 1.00 41.43 H new ATOM 0 HE1 HIS A 49 3.444 7.915 1.398 1.00 63.23 H new ATOM 0 HE2 HIS A 49 1.757 8.703 -0.336 1.00 25.42 H new ATOM 832 N CYS A 50 5.297 2.554 -2.606 1.00 60.11 N ATOM 833 CA CYS A 50 5.696 1.199 -2.724 1.00 14.13 C ATOM 834 C CYS A 50 6.066 0.648 -1.371 1.00 13.01 C ATOM 835 O CYS A 50 6.735 1.319 -0.567 1.00 13.51 O ATOM 836 CB CYS A 50 6.833 1.034 -3.756 1.00 34.12 C ATOM 837 SG CYS A 50 8.301 2.088 -3.477 1.00 63.52 S ATOM 0 H CYS A 50 5.910 3.129 -2.029 1.00 60.11 H new ATOM 0 HA CYS A 50 4.854 0.618 -3.100 1.00 14.13 H new ATOM 0 HB2 CYS A 50 7.150 -0.009 -3.759 1.00 34.12 H new ATOM 0 HB3 CYS A 50 6.435 1.249 -4.748 1.00 34.12 H new ATOM 0 HG CYS A 50 9.183 1.858 -4.404 1.00 63.52 H new ATOM 842 N LEU A 51 5.566 -0.520 -1.094 1.00 60.23 N ATOM 843 CA LEU A 51 5.861 -1.230 0.110 1.00 31.15 C ATOM 844 C LEU A 51 6.466 -2.540 -0.218 1.00 2.12 C ATOM 845 O LEU A 51 6.011 -3.249 -1.127 1.00 15.52 O ATOM 846 CB LEU A 51 4.626 -1.396 0.987 1.00 32.25 C ATOM 847 CG LEU A 51 4.161 -0.147 1.685 1.00 53.00 C ATOM 848 CD1 LEU A 51 2.768 -0.345 2.248 1.00 25.21 C ATOM 849 CD2 LEU A 51 5.110 0.192 2.814 1.00 40.14 C ATOM 0 H LEU A 51 4.927 -1.015 -1.716 1.00 60.23 H new ATOM 0 HA LEU A 51 6.577 -0.644 0.686 1.00 31.15 H new ATOM 0 HB2 LEU A 51 3.810 -1.773 0.370 1.00 32.25 H new ATOM 0 HB3 LEU A 51 4.834 -2.157 1.739 1.00 32.25 H new ATOM 0 HG LEU A 51 4.142 0.668 0.962 1.00 53.00 H new ATOM 0 HD11 LEU A 51 2.445 0.567 2.750 1.00 25.21 H new ATOM 0 HD12 LEU A 51 2.077 -0.577 1.437 1.00 25.21 H new ATOM 0 HD13 LEU A 51 2.778 -1.168 2.962 1.00 25.21 H new ATOM 0 HD21 LEU A 51 4.769 1.097 3.316 1.00 40.14 H new ATOM 0 HD22 LEU A 51 5.135 -0.632 3.528 1.00 40.14 H new ATOM 0 HD23 LEU A 51 6.110 0.355 2.412 1.00 40.14 H new ATOM 861 N HIS A 52 7.488 -2.853 0.485 1.00 44.53 N ATOM 862 CA HIS A 52 8.211 -4.079 0.265 1.00 21.23 C ATOM 863 C HIS A 52 7.628 -5.165 1.173 1.00 2.14 C ATOM 864 O HIS A 52 7.759 -5.095 2.387 1.00 74.40 O ATOM 865 CB HIS A 52 9.724 -3.860 0.496 1.00 42.12 C ATOM 866 CG HIS A 52 10.588 -5.050 0.167 1.00 32.14 C ATOM 867 ND1 HIS A 52 11.444 -5.628 1.066 1.00 10.24 N ATOM 868 CD2 HIS A 52 10.728 -5.759 -0.989 1.00 51.45 C ATOM 869 CE1 HIS A 52 12.062 -6.637 0.492 1.00 62.14 C ATOM 870 NE2 HIS A 52 11.647 -6.735 -0.748 1.00 13.14 N ATOM 0 H HIS A 52 7.861 -2.273 1.237 1.00 44.53 H new ATOM 0 HA HIS A 52 8.100 -4.406 -0.769 1.00 21.23 H new ATOM 0 HB2 HIS A 52 10.051 -3.013 -0.106 1.00 42.12 H new ATOM 0 HB3 HIS A 52 9.883 -3.589 1.540 1.00 42.12 H new ATOM 0 HD2 HIS A 52 10.209 -5.581 -1.919 1.00 51.45 H new ATOM 0 HE1 HIS A 52 12.791 -7.279 0.964 1.00 62.14 H new ATOM 0 HE2 HIS A 52 11.962 -7.431 -1.424 1.00 13.14 H new ATOM 879 N PRO A 53 6.993 -6.205 0.567 1.00 44.33 N ATOM 880 CA PRO A 53 6.231 -7.271 1.290 1.00 73.02 C ATOM 881 C PRO A 53 7.044 -8.119 2.285 1.00 52.14 C ATOM 882 O PRO A 53 6.525 -9.047 2.874 1.00 11.43 O ATOM 883 CB PRO A 53 5.695 -8.154 0.161 1.00 64.52 C ATOM 884 CG PRO A 53 6.570 -7.862 -1.006 1.00 12.34 C ATOM 885 CD PRO A 53 6.945 -6.424 -0.891 1.00 31.34 C ATOM 0 HA PRO A 53 5.473 -6.812 1.924 1.00 73.02 H new ATOM 0 HB2 PRO A 53 5.737 -9.209 0.431 1.00 64.52 H new ATOM 0 HB3 PRO A 53 4.653 -7.923 -0.060 1.00 64.52 H new ATOM 0 HG2 PRO A 53 7.455 -8.498 -0.998 1.00 12.34 H new ATOM 0 HG3 PRO A 53 6.048 -8.055 -1.943 1.00 12.34 H new ATOM 0 HD2 PRO A 53 7.907 -6.220 -1.361 1.00 31.34 H new ATOM 0 HD3 PRO A 53 6.212 -5.777 -1.372 1.00 31.34 H new ATOM 893 N LYS A 54 8.301 -7.805 2.449 1.00 33.55 N ATOM 894 CA LYS A 54 9.139 -8.481 3.410 1.00 72.10 C ATOM 895 C LYS A 54 9.008 -7.843 4.791 1.00 32.44 C ATOM 896 O LYS A 54 9.451 -8.404 5.791 1.00 73.12 O ATOM 897 CB LYS A 54 10.600 -8.499 2.958 1.00 53.24 C ATOM 898 CG LYS A 54 10.909 -9.583 1.930 1.00 51.12 C ATOM 899 CD LYS A 54 10.043 -9.488 0.688 1.00 35.40 C ATOM 900 CE LYS A 54 10.238 -10.687 -0.185 1.00 41.12 C ATOM 901 NZ LYS A 54 9.344 -10.678 -1.353 1.00 33.14 N ATOM 0 H LYS A 54 8.776 -7.073 1.921 1.00 33.55 H new ATOM 0 HA LYS A 54 8.798 -9.514 3.477 1.00 72.10 H new ATOM 0 HB2 LYS A 54 10.853 -7.527 2.535 1.00 53.24 H new ATOM 0 HB3 LYS A 54 11.239 -8.644 3.829 1.00 53.24 H new ATOM 0 HG2 LYS A 54 11.958 -9.513 1.641 1.00 51.12 H new ATOM 0 HG3 LYS A 54 10.769 -10.562 2.389 1.00 51.12 H new ATOM 0 HD2 LYS A 54 8.995 -9.407 0.975 1.00 35.40 H new ATOM 0 HD3 LYS A 54 10.292 -8.583 0.133 1.00 35.40 H new ATOM 0 HE2 LYS A 54 11.274 -10.723 -0.523 1.00 41.12 H new ATOM 0 HE3 LYS A 54 10.061 -11.591 0.398 1.00 41.12 H new ATOM 0 HZ1 LYS A 54 9.527 -11.519 -1.937 1.00 33.14 H new ATOM 0 HZ2 LYS A 54 8.355 -10.688 -1.033 1.00 33.14 H new ATOM 0 HZ3 LYS A 54 9.517 -9.821 -1.916 1.00 33.14 H new ATOM 915 N LEU A 55 8.408 -6.651 4.824 1.00 70.11 N ATOM 916 CA LEU A 55 8.221 -5.884 6.054 1.00 43.43 C ATOM 917 C LEU A 55 6.956 -6.332 6.784 1.00 11.22 C ATOM 918 O LEU A 55 5.886 -6.451 6.179 1.00 31.21 O ATOM 919 CB LEU A 55 8.098 -4.391 5.723 1.00 14.50 C ATOM 920 CG LEU A 55 9.289 -3.738 5.019 1.00 63.23 C ATOM 921 CD1 LEU A 55 8.964 -2.300 4.660 1.00 23.23 C ATOM 922 CD2 LEU A 55 10.517 -3.785 5.906 1.00 40.11 C ATOM 0 H LEU A 55 8.037 -6.190 3.993 1.00 70.11 H new ATOM 0 HA LEU A 55 9.085 -6.056 6.696 1.00 43.43 H new ATOM 0 HB2 LEU A 55 7.217 -4.254 5.096 1.00 14.50 H new ATOM 0 HB3 LEU A 55 7.916 -3.851 6.652 1.00 14.50 H new ATOM 0 HG LEU A 55 9.495 -4.292 4.104 1.00 63.23 H new ATOM 0 HD11 LEU A 55 9.820 -1.847 4.160 1.00 23.23 H new ATOM 0 HD12 LEU A 55 8.101 -2.277 3.994 1.00 23.23 H new ATOM 0 HD13 LEU A 55 8.737 -1.741 5.568 1.00 23.23 H new ATOM 0 HD21 LEU A 55 11.356 -3.317 5.391 1.00 40.11 H new ATOM 0 HD22 LEU A 55 10.316 -3.250 6.834 1.00 40.11 H new ATOM 0 HD23 LEU A 55 10.763 -4.823 6.132 1.00 40.11 H new ATOM 934 N GLN A 56 7.075 -6.545 8.091 1.00 33.41 N ATOM 935 CA GLN A 56 5.944 -6.983 8.923 1.00 12.21 C ATOM 936 C GLN A 56 4.832 -5.933 8.983 1.00 52.43 C ATOM 937 O GLN A 56 3.648 -6.274 9.146 1.00 20.54 O ATOM 938 CB GLN A 56 6.401 -7.337 10.339 1.00 11.24 C ATOM 939 CG GLN A 56 7.017 -6.183 11.117 1.00 25.31 C ATOM 940 CD GLN A 56 7.388 -6.578 12.522 1.00 13.44 C ATOM 941 OE1 GLN A 56 8.499 -7.026 12.777 1.00 5.44 O ATOM 942 NE2 GLN A 56 6.470 -6.425 13.439 1.00 4.12 N ATOM 0 H GLN A 56 7.947 -6.422 8.606 1.00 33.41 H new ATOM 0 HA GLN A 56 5.539 -7.877 8.449 1.00 12.21 H new ATOM 0 HB2 GLN A 56 5.546 -7.718 10.897 1.00 11.24 H new ATOM 0 HB3 GLN A 56 7.129 -8.146 10.279 1.00 11.24 H new ATOM 0 HG2 GLN A 56 7.905 -5.828 10.595 1.00 25.31 H new ATOM 0 HG3 GLN A 56 6.313 -5.352 11.149 1.00 25.31 H new ATOM 0 HE21 GLN A 56 5.556 -6.048 13.188 1.00 4.12 H new ATOM 0 HE22 GLN A 56 6.667 -6.682 14.406 1.00 4.12 H new ATOM 951 N SER A 57 5.217 -4.672 8.850 1.00 61.31 N ATOM 952 CA SER A 57 4.285 -3.566 8.869 1.00 43.21 C ATOM 953 C SER A 57 3.353 -3.654 7.659 1.00 24.53 C ATOM 954 O SER A 57 2.147 -3.382 7.758 1.00 53.13 O ATOM 955 CB SER A 57 5.062 -2.230 8.872 1.00 32.51 C ATOM 956 OG SER A 57 4.186 -1.106 8.867 1.00 34.10 O ATOM 0 H SER A 57 6.190 -4.391 8.726 1.00 61.31 H new ATOM 0 HA SER A 57 3.679 -3.614 9.773 1.00 43.21 H new ATOM 0 HB2 SER A 57 5.705 -2.186 9.751 1.00 32.51 H new ATOM 0 HB3 SER A 57 5.713 -2.187 7.999 1.00 32.51 H new ATOM 0 HG SER A 57 4.714 -0.280 8.871 1.00 34.10 H new ATOM 962 N THR A 58 3.916 -4.085 6.539 1.00 73.03 N ATOM 963 CA THR A 58 3.190 -4.207 5.312 1.00 12.41 C ATOM 964 C THR A 58 2.047 -5.234 5.453 1.00 25.44 C ATOM 965 O THR A 58 0.958 -5.008 4.955 1.00 21.54 O ATOM 966 CB THR A 58 4.153 -4.589 4.169 1.00 41.13 C ATOM 967 OG1 THR A 58 5.214 -3.618 4.124 1.00 54.11 O ATOM 968 CG2 THR A 58 3.434 -4.602 2.826 1.00 30.30 C ATOM 0 H THR A 58 4.896 -4.358 6.470 1.00 73.03 H new ATOM 0 HA THR A 58 2.736 -3.246 5.071 1.00 12.41 H new ATOM 0 HB THR A 58 4.545 -5.588 4.357 1.00 41.13 H new ATOM 0 HG1 THR A 58 5.837 -3.847 3.403 1.00 54.11 H new ATOM 0 HG21 THR A 58 4.138 -4.874 2.039 1.00 30.30 H new ATOM 0 HG22 THR A 58 2.622 -5.329 2.855 1.00 30.30 H new ATOM 0 HG23 THR A 58 3.027 -3.612 2.622 1.00 30.30 H new ATOM 976 N LYS A 59 2.298 -6.338 6.182 1.00 53.42 N ATOM 977 CA LYS A 59 1.262 -7.347 6.409 1.00 33.41 C ATOM 978 C LYS A 59 0.028 -6.772 7.049 1.00 63.43 C ATOM 979 O LYS A 59 -1.073 -6.978 6.538 1.00 63.20 O ATOM 980 CB LYS A 59 1.759 -8.573 7.186 1.00 50.11 C ATOM 981 CG LYS A 59 2.627 -9.537 6.382 1.00 55.34 C ATOM 982 CD LYS A 59 3.968 -8.959 5.981 1.00 61.05 C ATOM 983 CE LYS A 59 4.771 -9.951 5.144 1.00 52.32 C ATOM 984 NZ LYS A 59 5.064 -11.209 5.866 1.00 13.51 N ATOM 0 H LYS A 59 3.197 -6.547 6.616 1.00 53.42 H new ATOM 0 HA LYS A 59 0.991 -7.696 5.413 1.00 33.41 H new ATOM 0 HB2 LYS A 59 2.328 -8.231 8.051 1.00 50.11 H new ATOM 0 HB3 LYS A 59 0.895 -9.117 7.568 1.00 50.11 H new ATOM 0 HG2 LYS A 59 2.792 -10.440 6.970 1.00 55.34 H new ATOM 0 HG3 LYS A 59 2.087 -9.835 5.484 1.00 55.34 H new ATOM 0 HD2 LYS A 59 3.816 -8.041 5.414 1.00 61.05 H new ATOM 0 HD3 LYS A 59 4.533 -8.692 6.874 1.00 61.05 H new ATOM 0 HE2 LYS A 59 4.218 -10.181 4.233 1.00 52.32 H new ATOM 0 HE3 LYS A 59 5.709 -9.486 4.839 1.00 52.32 H new ATOM 0 HZ1 LYS A 59 5.761 -11.763 5.329 1.00 13.51 H new ATOM 0 HZ2 LYS A 59 5.448 -10.988 6.807 1.00 13.51 H new ATOM 0 HZ3 LYS A 59 4.189 -11.761 5.970 1.00 13.51 H new ATOM 998 N ARG A 60 0.183 -6.012 8.127 1.00 72.21 N ATOM 999 CA ARG A 60 -0.970 -5.419 8.740 1.00 55.24 C ATOM 1000 C ARG A 60 -1.619 -4.463 7.818 1.00 21.55 C ATOM 1001 O ARG A 60 -2.790 -4.501 7.669 1.00 1.34 O ATOM 1002 CB ARG A 60 -0.692 -4.729 10.070 1.00 34.21 C ATOM 1003 CG ARG A 60 -0.534 -5.630 11.276 1.00 20.13 C ATOM 1004 CD ARG A 60 0.752 -6.442 11.231 1.00 74.21 C ATOM 1005 NE ARG A 60 0.912 -7.292 12.413 1.00 42.45 N ATOM 1006 CZ ARG A 60 2.009 -8.013 12.703 1.00 11.54 C ATOM 1007 NH1 ARG A 60 3.065 -7.995 11.882 1.00 55.10 N ATOM 1008 NH2 ARG A 60 2.050 -8.744 13.813 1.00 33.21 N ATOM 0 H ARG A 60 1.075 -5.803 8.575 1.00 72.21 H new ATOM 0 HA ARG A 60 -1.636 -6.254 8.957 1.00 55.24 H new ATOM 0 HB2 ARG A 60 0.217 -4.137 9.964 1.00 34.21 H new ATOM 0 HB3 ARG A 60 -1.505 -4.031 10.269 1.00 34.21 H new ATOM 0 HG2 ARG A 60 -0.546 -5.024 12.182 1.00 20.13 H new ATOM 0 HG3 ARG A 60 -1.386 -6.307 11.334 1.00 20.13 H new ATOM 0 HD2 ARG A 60 0.756 -7.064 10.336 1.00 74.21 H new ATOM 0 HD3 ARG A 60 1.604 -5.766 11.154 1.00 74.21 H new ATOM 0 HE ARG A 60 0.131 -7.341 13.067 1.00 42.45 H new ATOM 0 HH11 ARG A 60 3.040 -7.432 11.032 1.00 55.10 H new ATOM 0 HH12 ARG A 60 3.895 -8.544 12.107 1.00 55.10 H new ATOM 0 HH21 ARG A 60 1.249 -8.758 14.444 1.00 33.21 H new ATOM 0 HH22 ARG A 60 2.882 -9.291 14.033 1.00 33.21 H new ATOM 1022 N PHE A 61 -0.831 -3.647 7.153 1.00 42.11 N ATOM 1023 CA PHE A 61 -1.363 -2.630 6.266 1.00 22.13 C ATOM 1024 C PHE A 61 -2.225 -3.263 5.170 1.00 4.11 C ATOM 1025 O PHE A 61 -3.283 -2.753 4.831 1.00 40.32 O ATOM 1026 CB PHE A 61 -0.230 -1.845 5.647 1.00 12.44 C ATOM 1027 CG PHE A 61 -0.664 -0.571 4.960 1.00 15.13 C ATOM 1028 CD1 PHE A 61 -1.150 0.486 5.710 1.00 41.11 C ATOM 1029 CD2 PHE A 61 -0.583 -0.424 3.589 1.00 13.31 C ATOM 1030 CE1 PHE A 61 -1.545 1.662 5.114 1.00 31.52 C ATOM 1031 CE2 PHE A 61 -0.974 0.764 2.986 1.00 43.34 C ATOM 1032 CZ PHE A 61 -1.456 1.806 3.759 1.00 35.14 C ATOM 0 H PHE A 61 0.187 -3.667 7.209 1.00 42.11 H new ATOM 0 HA PHE A 61 -1.991 -1.956 6.849 1.00 22.13 H new ATOM 0 HB2 PHE A 61 0.493 -1.598 6.424 1.00 12.44 H new ATOM 0 HB3 PHE A 61 0.284 -2.478 4.924 1.00 12.44 H new ATOM 0 HD1 PHE A 61 -1.221 0.386 6.783 1.00 41.11 H new ATOM 0 HD2 PHE A 61 -0.213 -1.238 2.983 1.00 13.31 H new ATOM 0 HE1 PHE A 61 -1.926 2.472 5.719 1.00 31.52 H new ATOM 0 HE2 PHE A 61 -0.902 0.875 1.914 1.00 43.34 H new ATOM 0 HZ PHE A 61 -1.761 2.731 3.292 1.00 35.14 H new ATOM 1042 N ILE A 62 -1.771 -4.392 4.645 1.00 42.33 N ATOM 1043 CA ILE A 62 -2.506 -5.104 3.614 1.00 23.45 C ATOM 1044 C ILE A 62 -3.773 -5.696 4.175 1.00 13.02 C ATOM 1045 O ILE A 62 -4.871 -5.444 3.670 1.00 10.34 O ATOM 1046 CB ILE A 62 -1.666 -6.237 2.970 1.00 1.22 C ATOM 1047 CG1 ILE A 62 -0.394 -5.675 2.347 1.00 73.33 C ATOM 1048 CG2 ILE A 62 -2.486 -6.996 1.935 1.00 24.25 C ATOM 1049 CD1 ILE A 62 -0.646 -4.573 1.364 1.00 52.14 C ATOM 0 H ILE A 62 -0.894 -4.835 4.919 1.00 42.33 H new ATOM 0 HA ILE A 62 -2.745 -4.372 2.843 1.00 23.45 H new ATOM 0 HB ILE A 62 -1.380 -6.938 3.754 1.00 1.22 H new ATOM 0 HG12 ILE A 62 0.255 -5.303 3.139 1.00 73.33 H new ATOM 0 HG13 ILE A 62 0.143 -6.481 1.847 1.00 73.33 H new ATOM 0 HG21 ILE A 62 -1.877 -7.786 1.496 1.00 24.25 H new ATOM 0 HG22 ILE A 62 -3.360 -7.436 2.415 1.00 24.25 H new ATOM 0 HG23 ILE A 62 -2.809 -6.310 1.152 1.00 24.25 H new ATOM 0 HD11 ILE A 62 0.303 -4.221 0.961 1.00 52.14 H new ATOM 0 HD12 ILE A 62 -1.270 -4.946 0.551 1.00 52.14 H new ATOM 0 HD13 ILE A 62 -1.156 -3.749 1.864 1.00 52.14 H new ATOM 1061 N LYS A 63 -3.636 -6.467 5.226 1.00 70.55 N ATOM 1062 CA LYS A 63 -4.814 -7.107 5.813 1.00 24.40 C ATOM 1063 C LYS A 63 -5.782 -6.121 6.438 1.00 41.21 C ATOM 1064 O LYS A 63 -6.995 -6.349 6.454 1.00 40.14 O ATOM 1065 CB LYS A 63 -4.511 -8.303 6.737 1.00 1.45 C ATOM 1066 CG LYS A 63 -4.279 -9.641 5.994 1.00 32.12 C ATOM 1067 CD LYS A 63 -2.971 -9.725 5.216 1.00 43.15 C ATOM 1068 CE LYS A 63 -1.772 -9.799 6.148 1.00 72.33 C ATOM 1069 NZ LYS A 63 -1.831 -10.965 7.053 1.00 70.44 N ATOM 0 H LYS A 63 -2.751 -6.670 5.691 1.00 70.55 H new ATOM 0 HA LYS A 63 -5.324 -7.545 4.955 1.00 24.40 H new ATOM 0 HB2 LYS A 63 -3.626 -8.073 7.331 1.00 1.45 H new ATOM 0 HB3 LYS A 63 -5.340 -8.427 7.434 1.00 1.45 H new ATOM 0 HG2 LYS A 63 -4.305 -10.453 6.721 1.00 32.12 H new ATOM 0 HG3 LYS A 63 -5.107 -9.805 5.304 1.00 32.12 H new ATOM 0 HD2 LYS A 63 -2.986 -10.603 4.571 1.00 43.15 H new ATOM 0 HD3 LYS A 63 -2.876 -8.854 4.567 1.00 43.15 H new ATOM 0 HE2 LYS A 63 -0.858 -9.848 5.556 1.00 72.33 H new ATOM 0 HE3 LYS A 63 -1.719 -8.886 6.740 1.00 72.33 H new ATOM 0 HZ1 LYS A 63 -0.879 -11.171 7.417 1.00 70.44 H new ATOM 0 HZ2 LYS A 63 -2.467 -10.755 7.848 1.00 70.44 H new ATOM 0 HZ3 LYS A 63 -2.189 -11.791 6.532 1.00 70.44 H new ATOM 1083 N TRP A 64 -5.267 -5.037 6.924 1.00 3.23 N ATOM 1084 CA TRP A 64 -6.081 -4.029 7.542 1.00 31.14 C ATOM 1085 C TRP A 64 -6.759 -3.216 6.429 1.00 22.40 C ATOM 1086 O TRP A 64 -7.893 -2.784 6.586 1.00 23.21 O ATOM 1087 CB TRP A 64 -5.217 -3.132 8.417 1.00 75.43 C ATOM 1088 CG TRP A 64 -5.864 -2.603 9.658 1.00 4.33 C ATOM 1089 CD1 TRP A 64 -5.583 -3.006 10.936 1.00 43.02 C ATOM 1090 CD2 TRP A 64 -6.884 -1.591 9.768 1.00 24.21 C ATOM 1091 NE1 TRP A 64 -6.358 -2.307 11.825 1.00 45.14 N ATOM 1092 CE2 TRP A 64 -7.165 -1.435 11.136 1.00 62.12 C ATOM 1093 CE3 TRP A 64 -7.581 -0.802 8.845 1.00 24.44 C ATOM 1094 CZ2 TRP A 64 -8.115 -0.524 11.601 1.00 13.10 C ATOM 1095 CZ3 TRP A 64 -8.520 0.096 9.309 1.00 62.10 C ATOM 1096 CH2 TRP A 64 -8.776 0.229 10.674 1.00 0.11 C ATOM 0 H TRP A 64 -4.270 -4.822 6.906 1.00 3.23 H new ATOM 0 HA TRP A 64 -6.840 -4.485 8.177 1.00 31.14 H new ATOM 0 HB2 TRP A 64 -4.326 -3.690 8.706 1.00 75.43 H new ATOM 0 HB3 TRP A 64 -4.883 -2.286 7.817 1.00 75.43 H new ATOM 0 HD1 TRP A 64 -4.859 -3.761 11.204 1.00 43.02 H new ATOM 0 HE1 TRP A 64 -6.338 -2.417 12.839 1.00 45.14 H new ATOM 0 HE3 TRP A 64 -7.387 -0.895 7.787 1.00 24.44 H new ATOM 0 HZ2 TRP A 64 -8.320 -0.419 12.656 1.00 13.10 H new ATOM 0 HZ3 TRP A 64 -9.066 0.706 8.604 1.00 62.10 H new ATOM 0 HH2 TRP A 64 -9.514 0.944 11.005 1.00 0.11 H new ATOM 1107 N TYR A 65 -6.062 -3.027 5.271 1.00 42.21 N ATOM 1108 CA TYR A 65 -6.686 -2.345 4.133 1.00 43.01 C ATOM 1109 C TYR A 65 -7.910 -3.114 3.688 1.00 15.52 C ATOM 1110 O TYR A 65 -8.898 -2.527 3.297 1.00 73.30 O ATOM 1111 CB TYR A 65 -5.724 -2.126 2.943 1.00 43.42 C ATOM 1112 CG TYR A 65 -6.397 -1.467 1.732 1.00 44.50 C ATOM 1113 CD1 TYR A 65 -6.484 -0.086 1.618 1.00 33.44 C ATOM 1114 CD2 TYR A 65 -6.965 -2.241 0.716 1.00 22.11 C ATOM 1115 CE1 TYR A 65 -7.115 0.506 0.530 1.00 52.23 C ATOM 1116 CE2 TYR A 65 -7.596 -1.656 -0.365 1.00 53.23 C ATOM 1117 CZ TYR A 65 -7.668 -0.285 -0.454 1.00 22.22 C ATOM 1118 OH TYR A 65 -8.308 0.300 -1.533 1.00 24.40 O ATOM 0 H TYR A 65 -5.101 -3.331 5.117 1.00 42.21 H new ATOM 0 HA TYR A 65 -6.971 -1.351 4.477 1.00 43.01 H new ATOM 0 HB2 TYR A 65 -4.890 -1.505 3.269 1.00 43.42 H new ATOM 0 HB3 TYR A 65 -5.307 -3.087 2.640 1.00 43.42 H new ATOM 0 HD1 TYR A 65 -6.054 0.539 2.387 1.00 33.44 H new ATOM 0 HD2 TYR A 65 -6.910 -3.318 0.777 1.00 22.11 H new ATOM 0 HE1 TYR A 65 -7.172 1.582 0.456 1.00 52.23 H new ATOM 0 HE2 TYR A 65 -8.031 -2.273 -1.137 1.00 53.23 H new ATOM 0 HH TYR A 65 -7.879 1.156 -1.743 1.00 24.40 H new ATOM 1128 N ASN A 66 -7.834 -4.435 3.752 1.00 43.22 N ATOM 1129 CA ASN A 66 -8.987 -5.275 3.439 1.00 61.23 C ATOM 1130 C ASN A 66 -10.151 -4.979 4.373 1.00 11.42 C ATOM 1131 O ASN A 66 -11.288 -4.888 3.937 1.00 1.51 O ATOM 1132 CB ASN A 66 -8.642 -6.778 3.423 1.00 55.50 C ATOM 1133 CG ASN A 66 -7.849 -7.199 2.186 1.00 15.10 C ATOM 1134 OD1 ASN A 66 -8.427 -7.577 1.173 1.00 61.51 O ATOM 1135 ND2 ASN A 66 -6.543 -7.134 2.245 1.00 5.10 N ATOM 0 H ASN A 66 -6.993 -4.949 4.016 1.00 43.22 H new ATOM 0 HA ASN A 66 -9.295 -5.021 2.425 1.00 61.23 H new ATOM 0 HB2 ASN A 66 -8.067 -7.022 4.316 1.00 55.50 H new ATOM 0 HB3 ASN A 66 -9.564 -7.357 3.470 1.00 55.50 H new ATOM 0 HD21 ASN A 66 -5.982 -7.401 1.436 1.00 5.10 H new ATOM 0 HD22 ASN A 66 -6.086 -6.816 3.100 1.00 5.10 H new ATOM 1142 N ALA A 67 -9.852 -4.774 5.650 1.00 70.33 N ATOM 1143 CA ALA A 67 -10.874 -4.413 6.627 1.00 23.23 C ATOM 1144 C ALA A 67 -11.450 -3.039 6.286 1.00 52.24 C ATOM 1145 O ALA A 67 -12.660 -2.831 6.336 1.00 42.22 O ATOM 1146 CB ALA A 67 -10.297 -4.421 8.038 1.00 62.41 C ATOM 0 H ALA A 67 -8.910 -4.851 6.034 1.00 70.33 H new ATOM 0 HA ALA A 67 -11.675 -5.151 6.589 1.00 23.23 H new ATOM 0 HB1 ALA A 67 -11.075 -4.149 8.751 1.00 62.41 H new ATOM 0 HB2 ALA A 67 -9.922 -5.417 8.272 1.00 62.41 H new ATOM 0 HB3 ALA A 67 -9.480 -3.702 8.101 1.00 62.41 H new ATOM 1152 N TRP A 68 -10.565 -2.120 5.925 1.00 11.25 N ATOM 1153 CA TRP A 68 -10.920 -0.772 5.480 1.00 31.24 C ATOM 1154 C TRP A 68 -11.787 -0.823 4.213 1.00 51.15 C ATOM 1155 O TRP A 68 -12.782 -0.112 4.092 1.00 64.52 O ATOM 1156 CB TRP A 68 -9.623 0.032 5.246 1.00 2.23 C ATOM 1157 CG TRP A 68 -9.787 1.356 4.561 1.00 51.14 C ATOM 1158 CD1 TRP A 68 -9.330 1.684 3.318 1.00 4.20 C ATOM 1159 CD2 TRP A 68 -10.462 2.517 5.055 1.00 10.13 C ATOM 1160 NE1 TRP A 68 -9.652 2.977 3.022 1.00 33.43 N ATOM 1161 CE2 TRP A 68 -10.354 3.510 4.062 1.00 23.55 C ATOM 1162 CE3 TRP A 68 -11.143 2.818 6.235 1.00 4.33 C ATOM 1163 CZ2 TRP A 68 -10.897 4.777 4.213 1.00 42.32 C ATOM 1164 CZ3 TRP A 68 -11.684 4.078 6.381 1.00 0.33 C ATOM 1165 CH2 TRP A 68 -11.558 5.042 5.374 1.00 75.42 C ATOM 0 H TRP A 68 -9.559 -2.290 5.932 1.00 11.25 H new ATOM 0 HA TRP A 68 -11.513 -0.276 6.249 1.00 31.24 H new ATOM 0 HB2 TRP A 68 -9.144 0.201 6.211 1.00 2.23 H new ATOM 0 HB3 TRP A 68 -8.941 -0.579 4.654 1.00 2.23 H new ATOM 0 HD1 TRP A 68 -8.791 1.016 2.662 1.00 4.20 H new ATOM 0 HE1 TRP A 68 -9.407 3.466 2.161 1.00 33.43 H new ATOM 0 HE3 TRP A 68 -11.244 2.080 7.017 1.00 4.33 H new ATOM 0 HZ2 TRP A 68 -10.800 5.525 3.440 1.00 42.32 H new ATOM 0 HZ3 TRP A 68 -12.214 4.325 7.289 1.00 0.33 H new ATOM 0 HH2 TRP A 68 -11.995 6.019 5.521 1.00 75.42 H new ATOM 1176 N ASN A 69 -11.407 -1.688 3.301 1.00 2.22 N ATOM 1177 CA ASN A 69 -12.122 -1.888 2.052 1.00 40.35 C ATOM 1178 C ASN A 69 -13.523 -2.412 2.312 1.00 70.24 C ATOM 1179 O ASN A 69 -14.492 -1.956 1.701 1.00 24.33 O ATOM 1180 CB ASN A 69 -11.342 -2.844 1.138 1.00 11.32 C ATOM 1181 CG ASN A 69 -12.044 -3.114 -0.174 1.00 61.32 C ATOM 1182 OD1 ASN A 69 -11.885 -2.361 -1.136 1.00 12.31 O ATOM 1183 ND2 ASN A 69 -12.789 -4.193 -0.244 1.00 0.42 N ATOM 0 H ASN A 69 -10.584 -2.282 3.402 1.00 2.22 H new ATOM 0 HA ASN A 69 -12.212 -0.926 1.547 1.00 40.35 H new ATOM 0 HB2 ASN A 69 -10.357 -2.422 0.936 1.00 11.32 H new ATOM 0 HB3 ASN A 69 -11.184 -3.788 1.660 1.00 11.32 H new ATOM 0 HD21 ASN A 69 -13.260 -4.432 -1.117 1.00 0.42 H new ATOM 0 HD22 ASN A 69 -12.897 -4.792 0.574 1.00 0.42 H new ATOM 1190 N GLU A 70 -13.630 -3.354 3.226 1.00 21.33 N ATOM 1191 CA GLU A 70 -14.916 -3.897 3.599 1.00 11.43 C ATOM 1192 C GLU A 70 -15.728 -2.875 4.373 1.00 35.14 C ATOM 1193 O GLU A 70 -16.933 -2.857 4.290 1.00 33.21 O ATOM 1194 CB GLU A 70 -14.761 -5.184 4.405 1.00 43.05 C ATOM 1195 CG GLU A 70 -14.054 -6.296 3.653 1.00 11.35 C ATOM 1196 CD GLU A 70 -14.752 -6.666 2.367 1.00 73.00 C ATOM 1197 OE1 GLU A 70 -15.620 -7.549 2.389 1.00 23.13 O ATOM 1198 OE2 GLU A 70 -14.433 -6.084 1.309 1.00 41.42 O ATOM 0 H GLU A 70 -12.838 -3.759 3.725 1.00 21.33 H new ATOM 0 HA GLU A 70 -15.453 -4.139 2.682 1.00 11.43 H new ATOM 0 HB2 GLU A 70 -14.206 -4.966 5.318 1.00 43.05 H new ATOM 0 HB3 GLU A 70 -15.748 -5.533 4.708 1.00 43.05 H new ATOM 0 HG2 GLU A 70 -13.033 -5.986 3.431 1.00 11.35 H new ATOM 0 HG3 GLU A 70 -13.988 -7.176 4.292 1.00 11.35 H new ATOM 1205 N LYS A 71 -15.040 -1.999 5.097 1.00 4.33 N ATOM 1206 CA LYS A 71 -15.662 -0.955 5.895 1.00 54.04 C ATOM 1207 C LYS A 71 -16.344 0.085 4.997 1.00 1.23 C ATOM 1208 O LYS A 71 -17.284 0.769 5.407 1.00 71.01 O ATOM 1209 CB LYS A 71 -14.597 -0.288 6.778 1.00 41.31 C ATOM 1210 CG LYS A 71 -15.112 0.792 7.715 1.00 42.10 C ATOM 1211 CD LYS A 71 -16.131 0.249 8.723 1.00 4.53 C ATOM 1212 CE LYS A 71 -15.531 -0.837 9.613 1.00 70.33 C ATOM 1213 NZ LYS A 71 -14.382 -0.345 10.402 1.00 72.11 N ATOM 0 H LYS A 71 -14.021 -1.996 5.145 1.00 4.33 H new ATOM 0 HA LYS A 71 -16.428 -1.401 6.529 1.00 54.04 H new ATOM 0 HB2 LYS A 71 -14.108 -1.059 7.373 1.00 41.31 H new ATOM 0 HB3 LYS A 71 -13.835 0.148 6.132 1.00 41.31 H new ATOM 0 HG2 LYS A 71 -14.273 1.234 8.252 1.00 42.10 H new ATOM 0 HG3 LYS A 71 -15.572 1.589 7.130 1.00 42.10 H new ATOM 0 HD2 LYS A 71 -16.497 1.066 9.345 1.00 4.53 H new ATOM 0 HD3 LYS A 71 -16.991 -0.154 8.188 1.00 4.53 H new ATOM 0 HE2 LYS A 71 -16.298 -1.214 10.289 1.00 70.33 H new ATOM 0 HE3 LYS A 71 -15.211 -1.675 8.994 1.00 70.33 H new ATOM 0 HZ1 LYS A 71 -14.105 -1.066 11.099 1.00 72.11 H new ATOM 0 HZ2 LYS A 71 -13.582 -0.152 9.767 1.00 72.11 H new ATOM 0 HZ3 LYS A 71 -14.650 0.530 10.897 1.00 72.11 H new ATOM 1227 N ARG A 72 -15.869 0.197 3.776 1.00 41.35 N ATOM 1228 CA ARG A 72 -16.436 1.133 2.813 1.00 0.10 C ATOM 1229 C ARG A 72 -17.668 0.522 2.138 1.00 0.15 C ATOM 1230 O ARG A 72 -18.387 1.190 1.388 1.00 23.02 O ATOM 1231 CB ARG A 72 -15.380 1.530 1.764 1.00 11.50 C ATOM 1232 CG ARG A 72 -14.151 2.201 2.366 1.00 75.33 C ATOM 1233 CD ARG A 72 -13.121 2.600 1.310 1.00 24.23 C ATOM 1234 NE ARG A 72 -12.599 1.449 0.540 1.00 44.11 N ATOM 1235 CZ ARG A 72 -11.439 1.452 -0.152 1.00 3.24 C ATOM 1236 NH1 ARG A 72 -10.700 2.558 -0.210 1.00 14.41 N ATOM 1237 NH2 ARG A 72 -11.041 0.359 -0.810 1.00 31.24 N ATOM 0 H ARG A 72 -15.086 -0.350 3.419 1.00 41.35 H new ATOM 0 HA ARG A 72 -16.747 2.033 3.343 1.00 0.10 H new ATOM 0 HB2 ARG A 72 -15.068 0.639 1.218 1.00 11.50 H new ATOM 0 HB3 ARG A 72 -15.835 2.205 1.039 1.00 11.50 H new ATOM 0 HG2 ARG A 72 -14.460 3.088 2.919 1.00 75.33 H new ATOM 0 HG3 ARG A 72 -13.687 1.524 3.083 1.00 75.33 H new ATOM 0 HD2 ARG A 72 -13.574 3.314 0.622 1.00 24.23 H new ATOM 0 HD3 ARG A 72 -12.290 3.110 1.797 1.00 24.23 H new ATOM 0 HE ARG A 72 -13.154 0.593 0.531 1.00 44.11 H new ATOM 0 HH11 ARG A 72 -11.010 3.404 0.268 1.00 14.41 H new ATOM 0 HH12 ARG A 72 -9.824 2.559 -0.733 1.00 14.41 H new ATOM 0 HH21 ARG A 72 -11.614 -0.484 -0.792 1.00 31.24 H new ATOM 0 HH22 ARG A 72 -10.164 0.368 -1.331 1.00 31.24 H new ATOM 1251 N ARG A 73 -17.909 -0.738 2.429 1.00 61.25 N ATOM 1252 CA ARG A 73 -18.997 -1.476 1.856 1.00 64.51 C ATOM 1253 C ARG A 73 -20.020 -1.819 2.969 1.00 42.43 C ATOM 1254 O ARG A 73 -21.209 -1.520 2.844 1.00 32.43 O ATOM 1255 CB ARG A 73 -18.391 -2.714 1.152 1.00 74.24 C ATOM 1256 CG ARG A 73 -19.308 -3.568 0.275 1.00 11.41 C ATOM 1257 CD ARG A 73 -20.286 -4.395 1.064 1.00 31.43 C ATOM 1258 NE ARG A 73 -21.093 -5.272 0.210 1.00 23.13 N ATOM 1259 CZ ARG A 73 -21.491 -6.511 0.545 1.00 11.15 C ATOM 1260 NH1 ARG A 73 -21.059 -7.073 1.674 1.00 64.53 N ATOM 1261 NH2 ARG A 73 -22.272 -7.196 -0.274 1.00 15.02 N ATOM 0 H ARG A 73 -17.342 -1.280 3.081 1.00 61.25 H new ATOM 0 HA ARG A 73 -19.549 -0.905 1.109 1.00 64.51 H new ATOM 0 HB2 ARG A 73 -17.562 -2.372 0.533 1.00 74.24 H new ATOM 0 HB3 ARG A 73 -17.969 -3.361 1.921 1.00 74.24 H new ATOM 0 HG2 ARG A 73 -19.858 -2.917 -0.404 1.00 11.41 H new ATOM 0 HG3 ARG A 73 -18.698 -4.229 -0.341 1.00 11.41 H new ATOM 0 HD2 ARG A 73 -19.743 -4.999 1.791 1.00 31.43 H new ATOM 0 HD3 ARG A 73 -20.945 -3.734 1.627 1.00 31.43 H new ATOM 0 HE ARG A 73 -21.372 -4.916 -0.704 1.00 23.13 H new ATOM 0 HH11 ARG A 73 -20.424 -6.562 2.287 1.00 64.53 H new ATOM 0 HH12 ARG A 73 -21.364 -8.014 1.924 1.00 64.53 H new ATOM 0 HH21 ARG A 73 -22.571 -6.784 -1.158 1.00 15.02 H new ATOM 0 HH22 ARG A 73 -22.575 -8.137 -0.022 1.00 15.02 H new