USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot -15:sc= 0.81 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -36:sc= 0.277 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.37) USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.306 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= -3.82! (180deg=-4.39!) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.834) USER MOD Single : A 34 SER OG : rot 110:sc= -1.87! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0599) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-1.3) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0101 (180deg=-0.151) USER MOD Single : A 47 ASN : amide:sc= 0.792 K(o=0.79,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.411 K(o=-0.41,f=-8.1!) USER MOD Single : A 56 LYS NZ :NH3+ -120:sc= 0.403 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.136 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.18) USER MOD Single : A 62 ASN :FLIP amide:sc= -11.8! C(o=-13!,f=-12!) USER MOD Single : A 64 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.59) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0692 (180deg=-0.402) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.723 K(o=0.72,f=-0.9) USER MOD Single : A 94 ASN : amide:sc= -2.25! C(o=-2.3!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -4.544 4.160 -7.247 1.00 0.43 N ATOM 242 CA THR A 11 -4.959 2.817 -6.916 1.00 0.36 C ATOM 243 C THR A 11 -4.533 1.817 -7.976 1.00 0.37 C ATOM 244 O THR A 11 -5.203 1.644 -8.995 1.00 0.44 O ATOM 245 CB THR A 11 -6.471 2.764 -6.741 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.007 4.065 -6.985 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.825 2.329 -5.337 1.00 0.54 C ATOM 0 HA THR A 11 -4.470 2.545 -5.981 1.00 0.36 H new ATOM 0 HB THR A 11 -6.890 2.044 -7.444 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.282 4.725 -6.974 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.909 2.296 -5.229 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.411 1.338 -5.148 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.410 3.038 -4.621 1.00 0.54 H new ATOM 255 N SER A 12 -3.388 1.201 -7.750 1.00 0.36 N ATOM 256 CA SER A 12 -2.957 0.083 -8.561 1.00 0.40 C ATOM 257 C SER A 12 -2.341 -0.993 -7.683 1.00 0.34 C ATOM 258 O SER A 12 -1.119 -1.113 -7.582 1.00 0.41 O ATOM 259 CB SER A 12 -1.972 0.536 -9.630 1.00 0.53 C ATOM 260 OG SER A 12 -2.490 1.630 -10.367 1.00 1.26 O ATOM 0 H SER A 12 -2.738 1.459 -7.007 1.00 0.36 H new ATOM 0 HA SER A 12 -3.828 -0.335 -9.065 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.029 0.821 -9.163 1.00 0.53 H new ATOM 0 HB3 SER A 12 -1.756 -0.292 -10.305 1.00 0.53 H new ATOM 0 HG SER A 12 -1.839 1.904 -11.046 1.00 1.26 H new ATOM 266 N GLY A 13 -3.200 -1.766 -7.032 1.00 0.28 N ATOM 267 CA GLY A 13 -2.738 -2.861 -6.205 1.00 0.29 C ATOM 268 C GLY A 13 -2.175 -3.982 -7.040 1.00 0.27 C ATOM 269 O GLY A 13 -1.455 -4.846 -6.547 1.00 0.27 O ATOM 0 H GLY A 13 -4.213 -1.653 -7.063 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -1.975 -2.501 -5.515 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.564 -3.235 -5.600 1.00 0.29 H new ATOM 273 N GLU A 14 -2.493 -3.942 -8.319 1.00 0.28 N ATOM 274 CA GLU A 14 -2.027 -4.935 -9.269 1.00 0.26 C ATOM 275 C GLU A 14 -0.502 -4.897 -9.411 1.00 0.20 C ATOM 276 O GLU A 14 0.118 -5.860 -9.854 1.00 0.23 O ATOM 277 CB GLU A 14 -2.688 -4.680 -10.623 1.00 0.32 C ATOM 278 CG GLU A 14 -2.479 -3.261 -11.134 1.00 0.35 C ATOM 279 CD GLU A 14 -3.308 -2.951 -12.360 1.00 0.95 C ATOM 280 OE1 GLU A 14 -4.525 -2.711 -12.214 1.00 1.60 O ATOM 281 OE2 GLU A 14 -2.748 -2.930 -13.473 1.00 0.99 O ATOM 0 H GLU A 14 -3.083 -3.219 -8.730 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.300 -5.925 -8.903 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.290 -5.385 -11.353 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.757 -4.876 -10.541 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -2.730 -2.554 -10.343 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.424 -3.116 -11.368 1.00 0.35 H new ATOM 288 N SER A 15 0.092 -3.774 -9.025 1.00 0.21 N ATOM 289 CA SER A 15 1.528 -3.575 -9.147 1.00 0.22 C ATOM 290 C SER A 15 2.260 -4.074 -7.902 1.00 0.19 C ATOM 291 O SER A 15 3.480 -4.139 -7.896 1.00 0.22 O ATOM 292 CB SER A 15 1.834 -2.091 -9.392 1.00 0.31 C ATOM 293 OG SER A 15 3.227 -1.850 -9.523 1.00 0.74 O ATOM 0 H SER A 15 -0.406 -2.981 -8.621 1.00 0.21 H new ATOM 0 HA SER A 15 1.884 -4.155 -9.999 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.322 -1.760 -10.296 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.440 -1.498 -8.567 1.00 0.31 H new ATOM 0 HG SER A 15 3.720 -2.439 -8.914 1.00 0.74 H new ATOM 299 N LEU A 16 1.499 -4.430 -6.865 1.00 0.16 N ATOM 300 CA LEU A 16 2.049 -4.804 -5.550 1.00 0.14 C ATOM 301 C LEU A 16 3.325 -5.636 -5.632 1.00 0.14 C ATOM 302 O LEU A 16 4.360 -5.232 -5.108 1.00 0.16 O ATOM 303 CB LEU A 16 0.998 -5.564 -4.749 1.00 0.16 C ATOM 304 CG LEU A 16 0.348 -4.763 -3.625 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.277 -3.288 -3.985 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.038 -5.312 -3.337 1.00 0.18 C ATOM 0 H LEU A 16 0.481 -4.469 -6.908 1.00 0.16 H new ATOM 0 HA LEU A 16 2.316 -3.871 -5.053 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.219 -5.905 -5.430 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.460 -6.454 -4.322 1.00 0.16 H new ATOM 0 HG LEU A 16 0.959 -4.859 -2.727 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.190 -2.736 -3.169 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.284 -2.905 -4.152 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.314 -3.163 -4.892 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.498 -4.736 -2.534 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.653 -5.238 -4.234 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.960 -6.357 -3.036 1.00 0.18 H new ATOM 318 N TYR A 17 3.257 -6.785 -6.288 1.00 0.17 N ATOM 319 CA TYR A 17 4.416 -7.667 -6.389 1.00 0.20 C ATOM 320 C TYR A 17 5.575 -6.989 -7.121 1.00 0.24 C ATOM 321 O TYR A 17 6.734 -7.219 -6.797 1.00 0.34 O ATOM 322 CB TYR A 17 4.047 -8.994 -7.065 1.00 0.25 C ATOM 323 CG TYR A 17 3.191 -8.863 -8.308 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.762 -8.646 -9.554 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.810 -8.976 -8.229 1.00 0.69 C ATOM 326 CE1 TYR A 17 2.978 -8.542 -10.687 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.021 -8.872 -9.356 1.00 1.08 C ATOM 328 CZ TYR A 17 1.609 -8.655 -10.582 1.00 1.53 C ATOM 329 OH TYR A 17 0.823 -8.555 -11.708 1.00 1.99 O ATOM 0 H TYR A 17 2.419 -7.129 -6.756 1.00 0.17 H new ATOM 0 HA TYR A 17 4.746 -7.885 -5.373 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.966 -9.518 -7.328 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.520 -9.618 -6.343 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.835 -8.557 -9.639 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.345 -9.148 -7.269 1.00 0.69 H new ATOM 0 HE1 TYR A 17 3.436 -8.373 -11.650 1.00 1.66 H new ATOM 0 HE2 TYR A 17 -0.052 -8.960 -9.277 1.00 1.08 H new ATOM 0 HH TYR A 17 -0.119 -8.658 -11.459 1.00 1.99 H new ATOM 339 N HIS A 18 5.255 -6.128 -8.078 1.00 0.22 N ATOM 340 CA HIS A 18 6.271 -5.410 -8.845 1.00 0.26 C ATOM 341 C HIS A 18 6.896 -4.311 -8.003 1.00 0.23 C ATOM 342 O HIS A 18 8.070 -3.977 -8.166 1.00 0.29 O ATOM 343 CB HIS A 18 5.653 -4.801 -10.112 1.00 0.31 C ATOM 344 CG HIS A 18 6.628 -4.036 -10.960 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.828 -2.677 -10.839 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.461 -4.449 -11.943 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.736 -2.289 -11.712 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.138 -3.344 -12.394 1.00 1.74 N ATOM 0 H HIS A 18 4.295 -5.907 -8.344 1.00 0.22 H new ATOM 0 HA HIS A 18 7.046 -6.120 -9.132 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.215 -5.600 -10.711 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.839 -4.136 -9.823 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.572 -5.460 -12.305 1.00 1.37 H new ATOM 0 HE1 HIS A 18 8.091 -1.278 -11.846 1.00 1.96 H new ATOM 0 HE2 HIS A 18 8.838 -3.339 -13.136 1.00 1.74 H new ATOM 357 N VAL A 19 6.090 -3.767 -7.109 1.00 0.17 N ATOM 358 CA VAL A 19 6.490 -2.660 -6.260 1.00 0.16 C ATOM 359 C VAL A 19 7.775 -2.979 -5.495 1.00 0.17 C ATOM 360 O VAL A 19 8.676 -2.144 -5.392 1.00 0.20 O ATOM 361 CB VAL A 19 5.350 -2.305 -5.271 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.822 -1.349 -4.195 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.169 -1.705 -6.017 1.00 0.19 C ATOM 0 H VAL A 19 5.133 -4.083 -6.951 1.00 0.17 H new ATOM 0 HA VAL A 19 6.687 -1.800 -6.900 1.00 0.16 H new ATOM 0 HB VAL A 19 5.037 -3.229 -4.786 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.996 -1.123 -3.521 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.635 -1.808 -3.632 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.176 -0.427 -4.657 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.377 -1.461 -5.309 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.487 -0.799 -6.532 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.795 -2.424 -6.746 1.00 0.19 H new ATOM 373 N LEU A 20 7.858 -4.200 -4.988 1.00 0.18 N ATOM 374 CA LEU A 20 8.987 -4.605 -4.156 1.00 0.24 C ATOM 375 C LEU A 20 9.727 -5.820 -4.717 1.00 0.27 C ATOM 376 O LEU A 20 10.915 -6.004 -4.454 1.00 0.33 O ATOM 377 CB LEU A 20 8.526 -4.881 -2.720 1.00 0.28 C ATOM 378 CG LEU A 20 7.027 -5.115 -2.528 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.575 -6.368 -3.255 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.699 -5.206 -1.046 1.00 0.28 C ATOM 0 H LEU A 20 7.160 -4.928 -5.136 1.00 0.18 H new ATOM 0 HA LEU A 20 9.691 -3.773 -4.156 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.060 -5.756 -2.351 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.824 -4.039 -2.096 1.00 0.28 H new ATOM 0 HG LEU A 20 6.488 -4.269 -2.955 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.505 -6.511 -3.102 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.779 -6.264 -4.321 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.116 -7.230 -2.865 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.629 -5.373 -0.920 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.250 -6.035 -0.602 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.982 -4.276 -0.553 1.00 0.28 H new ATOM 392 N GLY A 21 9.030 -6.647 -5.479 1.00 0.27 N ATOM 393 CA GLY A 21 9.627 -7.877 -5.965 1.00 0.32 C ATOM 394 C GLY A 21 9.356 -9.045 -5.038 1.00 0.34 C ATOM 395 O GLY A 21 10.234 -9.873 -4.791 1.00 0.65 O ATOM 0 H GLY A 21 8.065 -6.492 -5.770 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.235 -8.103 -6.957 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.703 -7.740 -6.071 1.00 0.32 H new ATOM 399 N LEU A 22 8.135 -9.103 -4.520 1.00 0.19 N ATOM 400 CA LEU A 22 7.717 -10.166 -3.611 1.00 0.16 C ATOM 401 C LEU A 22 6.207 -10.343 -3.734 1.00 0.17 C ATOM 402 O LEU A 22 5.507 -9.405 -4.113 1.00 0.19 O ATOM 403 CB LEU A 22 8.089 -9.814 -2.159 1.00 0.14 C ATOM 404 CG LEU A 22 8.398 -11.001 -1.220 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.686 -12.269 -2.014 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.587 -10.681 -0.334 1.00 0.18 C ATOM 0 H LEU A 22 7.407 -8.416 -4.717 1.00 0.19 H new ATOM 0 HA LEU A 22 8.226 -11.093 -3.875 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.960 -9.159 -2.179 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.269 -9.241 -1.726 1.00 0.14 H new ATOM 0 HG LEU A 22 7.518 -11.169 -0.599 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.900 -13.088 -1.327 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.817 -12.523 -2.622 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.547 -12.105 -2.662 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.791 -11.528 0.321 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.461 -10.484 -0.955 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.365 -9.801 0.269 1.00 0.18 H new ATOM 418 N ASP A 23 5.717 -11.536 -3.427 1.00 0.18 N ATOM 419 CA ASP A 23 4.281 -11.826 -3.450 1.00 0.21 C ATOM 420 C ASP A 23 4.021 -13.257 -3.037 1.00 0.23 C ATOM 421 O ASP A 23 4.380 -14.177 -3.754 1.00 0.26 O ATOM 422 CB ASP A 23 3.645 -11.583 -4.831 1.00 0.29 C ATOM 423 CG ASP A 23 4.180 -12.478 -5.939 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.376 -12.373 -6.280 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.397 -13.289 -6.480 1.00 1.13 O ATOM 0 H ASP A 23 6.297 -12.330 -3.155 1.00 0.18 H new ATOM 0 HA ASP A 23 3.821 -11.138 -2.741 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.568 -11.729 -4.752 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.805 -10.542 -5.113 1.00 0.29 H new ATOM 430 N LYS A 24 3.434 -13.419 -1.848 1.00 0.23 N ATOM 431 CA LYS A 24 2.917 -14.707 -1.334 1.00 0.28 C ATOM 432 C LYS A 24 3.896 -15.885 -1.447 1.00 0.28 C ATOM 433 O LYS A 24 3.528 -17.022 -1.163 1.00 0.34 O ATOM 434 CB LYS A 24 1.588 -15.055 -2.022 1.00 0.35 C ATOM 435 CG LYS A 24 1.697 -15.248 -3.525 1.00 0.37 C ATOM 436 CD LYS A 24 1.680 -16.718 -3.902 1.00 0.43 C ATOM 437 CE LYS A 24 2.935 -17.092 -4.663 1.00 0.50 C ATOM 438 NZ LYS A 24 2.989 -18.542 -4.978 1.00 1.42 N ATOM 0 H LYS A 24 3.298 -12.647 -1.196 1.00 0.23 H new ATOM 0 HA LYS A 24 2.767 -14.555 -0.265 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.190 -15.967 -1.578 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.868 -14.262 -1.820 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.872 -14.735 -4.019 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.618 -14.790 -3.885 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.599 -17.328 -3.002 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.802 -16.932 -4.512 1.00 0.43 H new ATOM 0 HE2 LYS A 24 2.981 -16.519 -5.589 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.810 -16.817 -4.074 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.864 -18.752 -5.499 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.972 -19.090 -4.094 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.168 -18.801 -5.562 1.00 1.42 H new ATOM 452 N ASN A 25 5.131 -15.619 -1.829 1.00 0.25 N ATOM 453 CA ASN A 25 6.149 -16.651 -1.854 1.00 0.28 C ATOM 454 C ASN A 25 6.933 -16.577 -0.562 1.00 0.25 C ATOM 455 O ASN A 25 7.436 -17.576 -0.038 1.00 0.31 O ATOM 456 CB ASN A 25 7.112 -16.477 -3.037 1.00 0.31 C ATOM 457 CG ASN A 25 6.506 -16.865 -4.372 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.540 -18.028 -4.767 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.966 -15.893 -5.086 1.00 0.37 N ATOM 0 H ASN A 25 5.453 -14.698 -2.126 1.00 0.25 H new ATOM 0 HA ASN A 25 5.659 -17.618 -1.965 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.435 -15.437 -3.082 1.00 0.31 H new ATOM 0 HB3 ASN A 25 8.003 -17.080 -2.862 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.559 -16.096 -5.999 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.957 -14.939 -4.724 1.00 0.37 H new ATOM 466 N ALA A 26 7.006 -15.359 -0.060 1.00 0.20 N ATOM 467 CA ALA A 26 7.736 -15.043 1.143 1.00 0.19 C ATOM 468 C ALA A 26 6.854 -15.186 2.351 1.00 0.19 C ATOM 469 O ALA A 26 5.627 -15.233 2.252 1.00 0.24 O ATOM 470 CB ALA A 26 8.257 -13.631 1.056 1.00 0.18 C ATOM 0 H ALA A 26 6.551 -14.552 -0.487 1.00 0.20 H new ATOM 0 HA ALA A 26 8.570 -15.738 1.241 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.809 -13.390 1.964 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.918 -13.540 0.194 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.421 -12.941 0.946 1.00 0.18 H new ATOM 476 N THR A 27 7.497 -15.237 3.488 1.00 0.21 N ATOM 477 CA THR A 27 6.820 -15.368 4.747 1.00 0.24 C ATOM 478 C THR A 27 6.493 -13.993 5.299 1.00 0.21 C ATOM 479 O THR A 27 6.789 -12.975 4.665 1.00 0.21 O ATOM 480 CB THR A 27 7.725 -16.117 5.731 1.00 0.30 C ATOM 481 OG1 THR A 27 8.873 -15.314 6.033 1.00 0.33 O ATOM 482 CG2 THR A 27 8.188 -17.423 5.121 1.00 0.35 C ATOM 0 H THR A 27 8.513 -15.188 3.565 1.00 0.21 H new ATOM 0 HA THR A 27 5.894 -15.925 4.606 1.00 0.24 H new ATOM 0 HB THR A 27 7.162 -16.320 6.642 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.587 -15.884 6.388 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.830 -17.947 5.828 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.322 -18.043 4.888 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.745 -17.220 4.206 1.00 0.35 H new ATOM 490 N SER A 28 5.892 -13.959 6.475 1.00 0.26 N ATOM 491 CA SER A 28 5.672 -12.713 7.186 1.00 0.32 C ATOM 492 C SER A 28 6.996 -12.030 7.508 1.00 0.31 C ATOM 493 O SER A 28 7.032 -10.884 7.945 1.00 0.41 O ATOM 494 CB SER A 28 4.844 -12.958 8.448 1.00 0.40 C ATOM 495 OG SER A 28 5.242 -14.156 9.096 1.00 1.54 O ATOM 0 H SER A 28 5.546 -14.787 6.960 1.00 0.26 H new ATOM 0 HA SER A 28 5.107 -12.040 6.541 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.959 -12.116 9.131 1.00 0.40 H new ATOM 0 HB3 SER A 28 3.787 -13.016 8.188 1.00 0.40 H new ATOM 0 HG SER A 28 4.699 -14.289 9.901 1.00 1.54 H new ATOM 501 N ASP A 29 8.078 -12.759 7.316 1.00 0.27 N ATOM 502 CA ASP A 29 9.414 -12.214 7.482 1.00 0.34 C ATOM 503 C ASP A 29 9.877 -11.510 6.204 1.00 0.32 C ATOM 504 O ASP A 29 10.170 -10.314 6.227 1.00 0.44 O ATOM 505 CB ASP A 29 10.397 -13.328 7.850 1.00 0.38 C ATOM 506 CG ASP A 29 11.779 -12.810 8.210 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.505 -12.362 7.300 1.00 1.68 O ATOM 508 OD2 ASP A 29 12.139 -12.815 9.406 1.00 0.96 O ATOM 0 H ASP A 29 8.058 -13.741 7.042 1.00 0.27 H new ATOM 0 HA ASP A 29 9.386 -11.482 8.289 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.997 -13.894 8.692 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.482 -14.020 7.012 1.00 0.38 H new ATOM 513 N ASP A 30 9.894 -12.234 5.076 1.00 0.22 N ATOM 514 CA ASP A 30 10.539 -11.730 3.860 1.00 0.21 C ATOM 515 C ASP A 30 9.729 -10.626 3.196 1.00 0.16 C ATOM 516 O ASP A 30 10.293 -9.602 2.805 1.00 0.17 O ATOM 517 CB ASP A 30 10.804 -12.862 2.868 1.00 0.23 C ATOM 518 CG ASP A 30 11.922 -13.781 3.305 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.100 -13.383 3.199 1.00 1.22 O ATOM 520 OD2 ASP A 30 11.629 -14.908 3.750 1.00 1.81 O ATOM 0 H ASP A 30 9.474 -13.159 4.982 1.00 0.22 H new ATOM 0 HA ASP A 30 11.493 -11.301 4.166 1.00 0.21 H new ATOM 0 HB2 ASP A 30 9.892 -13.445 2.738 1.00 0.23 H new ATOM 0 HB3 ASP A 30 11.051 -12.435 1.896 1.00 0.23 H new ATOM 525 N ILE A 31 8.419 -10.841 3.049 1.00 0.14 N ATOM 526 CA ILE A 31 7.513 -9.820 2.524 1.00 0.14 C ATOM 527 C ILE A 31 7.793 -8.448 3.151 1.00 0.14 C ATOM 528 O ILE A 31 7.820 -7.429 2.459 1.00 0.16 O ATOM 529 CB ILE A 31 6.033 -10.187 2.794 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.680 -11.565 2.221 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.107 -9.124 2.220 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.577 -11.609 0.714 1.00 0.42 C ATOM 0 H ILE A 31 7.961 -11.720 3.289 1.00 0.14 H new ATOM 0 HA ILE A 31 7.688 -9.773 1.449 1.00 0.14 H new ATOM 0 HB ILE A 31 5.896 -10.230 3.875 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.435 -12.282 2.542 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.731 -11.889 2.647 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.071 -9.398 2.419 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.324 -8.163 2.686 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.262 -9.049 1.144 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.324 -12.620 0.396 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.801 -10.920 0.382 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.532 -11.319 0.275 1.00 0.42 H new ATOM 544 N LYS A 32 8.018 -8.435 4.460 1.00 0.17 N ATOM 545 CA LYS A 32 8.213 -7.186 5.188 1.00 0.21 C ATOM 546 C LYS A 32 9.567 -6.570 4.865 1.00 0.20 C ATOM 547 O LYS A 32 9.666 -5.368 4.613 1.00 0.21 O ATOM 548 CB LYS A 32 8.101 -7.420 6.690 1.00 0.29 C ATOM 549 CG LYS A 32 6.851 -8.178 7.074 1.00 0.33 C ATOM 550 CD LYS A 32 5.600 -7.494 6.568 1.00 0.35 C ATOM 551 CE LYS A 32 4.451 -8.472 6.493 1.00 0.43 C ATOM 552 NZ LYS A 32 3.171 -7.804 6.157 1.00 0.88 N ATOM 0 H LYS A 32 8.070 -9.274 5.038 1.00 0.17 H new ATOM 0 HA LYS A 32 7.432 -6.493 4.874 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.975 -7.973 7.033 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.110 -6.459 7.204 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.901 -9.189 6.670 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.801 -8.270 8.159 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.338 -6.668 7.229 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.786 -7.067 5.582 1.00 0.35 H new ATOM 0 HE2 LYS A 32 4.671 -9.232 5.743 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.351 -8.987 7.448 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.664 -8.365 5.443 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 2.586 -7.724 7.013 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.364 -6.854 5.779 1.00 0.88 H new ATOM 566 N LYS A 33 10.601 -7.405 4.864 1.00 0.21 N ATOM 567 CA LYS A 33 11.960 -6.960 4.566 1.00 0.22 C ATOM 568 C LYS A 33 12.017 -6.370 3.169 1.00 0.19 C ATOM 569 O LYS A 33 12.710 -5.381 2.926 1.00 0.19 O ATOM 570 CB LYS A 33 12.929 -8.137 4.636 1.00 0.28 C ATOM 571 CG LYS A 33 12.846 -8.943 5.922 1.00 0.35 C ATOM 572 CD LYS A 33 13.266 -8.129 7.133 1.00 0.49 C ATOM 573 CE LYS A 33 13.054 -8.901 8.428 1.00 0.62 C ATOM 574 NZ LYS A 33 13.762 -10.211 8.432 1.00 1.41 N ATOM 0 H LYS A 33 10.523 -8.401 5.068 1.00 0.21 H new ATOM 0 HA LYS A 33 12.243 -6.207 5.301 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.737 -8.800 3.793 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.946 -7.762 4.522 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.825 -9.299 6.061 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.482 -9.824 5.839 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.317 -7.854 7.041 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.695 -7.201 7.164 1.00 0.49 H new ATOM 0 HE2 LYS A 33 13.404 -8.300 9.267 1.00 0.62 H new ATOM 0 HE3 LYS A 33 11.987 -9.067 8.578 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.729 -10.620 9.387 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.299 -10.858 7.762 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.753 -10.071 8.149 1.00 1.41 H new ATOM 588 N SER A 34 11.277 -6.995 2.260 1.00 0.18 N ATOM 589 CA SER A 34 11.198 -6.550 0.881 1.00 0.18 C ATOM 590 C SER A 34 10.773 -5.090 0.821 1.00 0.19 C ATOM 591 O SER A 34 11.288 -4.322 0.017 1.00 0.30 O ATOM 592 CB SER A 34 10.214 -7.431 0.103 1.00 0.21 C ATOM 593 OG SER A 34 10.229 -7.134 -1.281 1.00 0.26 O ATOM 0 H SER A 34 10.717 -7.823 2.462 1.00 0.18 H new ATOM 0 HA SER A 34 12.183 -6.639 0.423 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.468 -8.480 0.253 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.207 -7.287 0.496 1.00 0.21 H new ATOM 0 HG SER A 34 10.639 -7.878 -1.771 1.00 0.26 H new ATOM 599 N TYR A 35 9.868 -4.710 1.714 1.00 0.17 N ATOM 600 CA TYR A 35 9.372 -3.337 1.774 1.00 0.18 C ATOM 601 C TYR A 35 10.415 -2.430 2.403 1.00 0.18 C ATOM 602 O TYR A 35 10.672 -1.329 1.925 1.00 0.26 O ATOM 603 CB TYR A 35 8.067 -3.265 2.584 1.00 0.22 C ATOM 604 CG TYR A 35 7.933 -2.003 3.427 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.510 -0.808 2.853 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.213 -2.009 4.788 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.372 0.339 3.610 1.00 0.40 C ATOM 608 CE2 TYR A 35 8.078 -0.862 5.550 1.00 0.38 C ATOM 609 CZ TYR A 35 7.718 0.298 4.979 1.00 0.42 C ATOM 610 OH TYR A 35 7.514 1.450 5.710 1.00 0.51 O ATOM 0 H TYR A 35 9.460 -5.334 2.410 1.00 0.17 H new ATOM 0 HA TYR A 35 9.171 -3.003 0.756 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.222 -3.324 1.898 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.008 -4.135 3.238 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.286 -0.777 1.797 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.541 -2.924 5.259 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.006 1.251 3.163 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.264 -0.900 6.613 1.00 0.38 H new ATOM 0 HH TYR A 35 7.788 1.301 6.639 1.00 0.51 H new ATOM 620 N ARG A 36 11.001 -2.918 3.481 1.00 0.16 N ATOM 621 CA ARG A 36 11.943 -2.143 4.275 1.00 0.19 C ATOM 622 C ARG A 36 13.087 -1.645 3.423 1.00 0.21 C ATOM 623 O ARG A 36 13.344 -0.450 3.360 1.00 0.23 O ATOM 624 CB ARG A 36 12.515 -2.970 5.413 1.00 0.25 C ATOM 625 CG ARG A 36 11.487 -3.421 6.424 1.00 0.29 C ATOM 626 CD ARG A 36 12.167 -3.992 7.652 1.00 0.42 C ATOM 627 NE ARG A 36 11.246 -4.722 8.520 1.00 0.83 N ATOM 628 CZ ARG A 36 11.639 -5.519 9.512 1.00 1.30 C ATOM 629 NH1 ARG A 36 12.930 -5.630 9.806 1.00 1.53 N ATOM 630 NH2 ARG A 36 10.749 -6.197 10.225 1.00 1.74 N ATOM 0 H ARG A 36 10.839 -3.862 3.832 1.00 0.16 H new ATOM 0 HA ARG A 36 11.392 -1.296 4.683 1.00 0.19 H new ATOM 0 HB2 ARG A 36 13.010 -3.848 4.997 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.280 -2.385 5.924 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.855 -2.580 6.709 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.836 -4.173 5.979 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.971 -4.659 7.340 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.627 -3.181 8.217 1.00 0.42 H new ATOM 0 HE ARG A 36 10.245 -4.615 8.357 1.00 0.83 H new ATOM 0 HH11 ARG A 36 13.622 -5.104 9.272 1.00 1.53 H new ATOM 0 HH12 ARG A 36 13.229 -6.241 10.566 1.00 1.53 H new ATOM 0 HH21 ARG A 36 9.755 -6.110 10.015 1.00 1.74 H new ATOM 0 HH22 ARG A 36 11.059 -6.805 10.983 1.00 1.74 H new ATOM 644 N LYS A 37 13.746 -2.572 2.743 1.00 0.35 N ATOM 645 CA LYS A 37 14.925 -2.251 1.948 1.00 0.45 C ATOM 646 C LYS A 37 14.595 -1.248 0.845 1.00 0.40 C ATOM 647 O LYS A 37 15.492 -0.695 0.221 1.00 0.43 O ATOM 648 CB LYS A 37 15.530 -3.526 1.352 1.00 0.67 C ATOM 649 CG LYS A 37 14.629 -4.226 0.344 1.00 0.78 C ATOM 650 CD LYS A 37 15.190 -5.581 -0.064 1.00 1.04 C ATOM 651 CE LYS A 37 15.115 -6.582 1.078 1.00 0.85 C ATOM 652 NZ LYS A 37 15.661 -7.910 0.699 1.00 1.37 N ATOM 0 H LYS A 37 13.483 -3.557 2.725 1.00 0.35 H new ATOM 0 HA LYS A 37 15.660 -1.790 2.608 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.474 -3.276 0.868 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.760 -4.219 2.161 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.636 -4.357 0.773 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.514 -3.598 -0.540 1.00 0.78 H new ATOM 0 HD2 LYS A 37 14.635 -5.963 -0.921 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.227 -5.466 -0.381 1.00 1.04 H new ATOM 0 HE2 LYS A 37 15.667 -6.195 1.934 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.077 -6.694 1.392 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 15.589 -8.559 1.509 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 15.118 -8.293 -0.101 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.659 -7.809 0.424 1.00 1.37 H new ATOM 666 N LEU A 38 13.308 -1.055 0.583 1.00 0.45 N ATOM 667 CA LEU A 38 12.848 -0.023 -0.337 1.00 0.61 C ATOM 668 C LEU A 38 12.567 1.262 0.401 1.00 0.60 C ATOM 669 O LEU A 38 12.842 2.335 -0.090 1.00 0.76 O ATOM 670 CB LEU A 38 11.553 -0.429 -0.986 1.00 1.00 C ATOM 671 CG LEU A 38 11.598 -1.671 -1.821 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.229 -2.287 -1.775 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.013 -1.334 -3.243 1.00 0.44 C ATOM 0 H LEU A 38 12.558 -1.606 1.000 1.00 0.45 H new ATOM 0 HA LEU A 38 13.635 0.113 -1.079 1.00 0.61 H new ATOM 0 HB2 LEU A 38 10.806 -0.567 -0.205 1.00 1.00 H new ATOM 0 HB3 LEU A 38 11.210 0.394 -1.613 1.00 1.00 H new ATOM 0 HG LEU A 38 12.334 -2.377 -1.438 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.220 -3.198 -2.373 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.973 -2.528 -0.743 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.499 -1.583 -2.175 1.00 0.57 H new ATOM 0 HD21 LEU A 38 12.042 -2.246 -3.839 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.294 -0.639 -3.677 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.002 -0.875 -3.234 1.00 0.44 H new ATOM 685 N ALA A 39 11.969 1.125 1.567 1.00 0.49 N ATOM 686 CA ALA A 39 11.487 2.257 2.334 1.00 0.59 C ATOM 687 C ALA A 39 12.595 3.255 2.616 1.00 0.57 C ATOM 688 O ALA A 39 12.480 4.430 2.263 1.00 0.72 O ATOM 689 CB ALA A 39 10.869 1.764 3.616 1.00 0.59 C ATOM 0 H ALA A 39 11.803 0.222 2.011 1.00 0.49 H new ATOM 0 HA ALA A 39 10.732 2.779 1.746 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.506 2.613 4.195 1.00 0.59 H new ATOM 0 HB2 ALA A 39 10.037 1.099 3.386 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.617 1.223 4.196 1.00 0.59 H new ATOM 695 N LEU A 40 13.680 2.800 3.231 1.00 0.44 N ATOM 696 CA LEU A 40 14.813 3.691 3.443 1.00 0.51 C ATOM 697 C LEU A 40 15.562 3.931 2.133 1.00 0.46 C ATOM 698 O LEU A 40 16.437 4.782 2.055 1.00 0.58 O ATOM 699 CB LEU A 40 15.771 3.219 4.571 1.00 0.56 C ATOM 700 CG LEU A 40 16.221 1.742 4.609 1.00 0.51 C ATOM 701 CD1 LEU A 40 15.127 0.844 5.159 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.682 1.250 3.245 1.00 0.44 C ATOM 0 H LEU A 40 13.799 1.850 3.582 1.00 0.44 H new ATOM 0 HA LEU A 40 14.401 4.639 3.789 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.669 3.834 4.517 1.00 0.56 H new ATOM 0 HB3 LEU A 40 15.290 3.440 5.524 1.00 0.56 H new ATOM 0 HG LEU A 40 17.076 1.692 5.283 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.476 -0.188 5.172 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.876 1.155 6.173 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.242 0.920 4.527 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.989 0.207 3.319 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.863 1.337 2.531 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.524 1.853 2.906 1.00 0.44 H new ATOM 714 N LYS A 41 15.199 3.186 1.096 1.00 0.37 N ATOM 715 CA LYS A 41 15.868 3.307 -0.192 1.00 0.40 C ATOM 716 C LYS A 41 15.152 4.325 -1.087 1.00 0.39 C ATOM 717 O LYS A 41 15.759 4.927 -1.972 1.00 0.48 O ATOM 718 CB LYS A 41 15.946 1.920 -0.834 1.00 0.51 C ATOM 719 CG LYS A 41 16.402 1.880 -2.279 1.00 0.62 C ATOM 720 CD LYS A 41 15.229 1.594 -3.194 1.00 0.65 C ATOM 721 CE LYS A 41 15.663 1.243 -4.605 1.00 0.72 C ATOM 722 NZ LYS A 41 16.617 2.235 -5.171 1.00 1.41 N ATOM 0 H LYS A 41 14.449 2.495 1.122 1.00 0.37 H new ATOM 0 HA LYS A 41 16.882 3.684 -0.054 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.625 1.306 -0.243 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.961 1.457 -0.772 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.859 2.832 -2.549 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.166 1.113 -2.405 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.644 0.772 -2.782 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.576 2.466 -3.225 1.00 0.65 H new ATOM 0 HE2 LYS A 41 16.127 0.257 -4.604 1.00 0.72 H new ATOM 0 HE3 LYS A 41 14.784 1.181 -5.247 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 16.738 2.058 -6.189 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 16.244 3.195 -5.028 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.536 2.145 -4.692 1.00 1.41 H new ATOM 736 N TYR A 42 13.866 4.525 -0.835 1.00 0.36 N ATOM 737 CA TYR A 42 13.057 5.447 -1.625 1.00 0.36 C ATOM 738 C TYR A 42 12.680 6.672 -0.812 1.00 0.40 C ATOM 739 O TYR A 42 11.870 7.489 -1.245 1.00 0.40 O ATOM 740 CB TYR A 42 11.785 4.760 -2.126 1.00 0.33 C ATOM 741 CG TYR A 42 11.968 3.994 -3.415 1.00 0.36 C ATOM 742 CD1 TYR A 42 11.953 4.636 -4.644 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.167 2.621 -3.395 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.130 3.929 -5.819 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.342 1.907 -4.565 1.00 0.43 C ATOM 746 CZ TYR A 42 12.292 2.603 -5.800 1.00 0.45 C ATOM 747 OH TYR A 42 12.503 1.859 -6.941 1.00 0.52 O ATOM 0 H TYR A 42 13.356 4.058 -0.085 1.00 0.36 H new ATOM 0 HA TYR A 42 13.656 5.759 -2.480 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.426 4.076 -1.357 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.010 5.513 -2.270 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.801 5.704 -4.684 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.185 2.101 -2.448 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.137 4.454 -6.763 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.513 0.841 -4.540 1.00 0.43 H new ATOM 0 HH TYR A 42 12.596 0.913 -6.702 1.00 0.52 H new ATOM 757 N HIS A 43 13.268 6.797 0.366 1.00 0.46 N ATOM 758 CA HIS A 43 12.962 7.913 1.246 1.00 0.53 C ATOM 759 C HIS A 43 13.460 9.224 0.639 1.00 0.56 C ATOM 760 O HIS A 43 14.657 9.389 0.420 1.00 0.62 O ATOM 761 CB HIS A 43 13.600 7.704 2.624 1.00 0.62 C ATOM 762 CG HIS A 43 12.729 8.166 3.752 1.00 0.71 C ATOM 763 ND1 HIS A 43 13.224 8.613 4.958 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.381 8.232 3.856 1.00 0.87 C ATOM 765 CE1 HIS A 43 12.219 8.934 5.752 1.00 1.12 C ATOM 766 NE2 HIS A 43 11.091 8.710 5.107 1.00 0.87 N ATOM 0 H HIS A 43 13.958 6.142 0.734 1.00 0.46 H new ATOM 0 HA HIS A 43 11.880 7.965 1.364 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.825 6.646 2.757 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.549 8.239 2.663 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.666 7.959 3.094 1.00 0.87 H new ATOM 0 HE1 HIS A 43 12.306 9.315 6.759 1.00 1.12 H new ATOM 0 HE2 HIS A 43 10.154 8.867 5.479 1.00 0.87 H new ATOM 775 N PRO A 44 12.547 10.169 0.350 1.00 0.54 N ATOM 776 CA PRO A 44 12.906 11.498 -0.176 1.00 0.58 C ATOM 777 C PRO A 44 13.825 12.256 0.773 1.00 0.68 C ATOM 778 O PRO A 44 14.528 13.179 0.369 1.00 0.72 O ATOM 779 CB PRO A 44 11.565 12.225 -0.300 1.00 0.58 C ATOM 780 CG PRO A 44 10.617 11.442 0.542 1.00 0.57 C ATOM 781 CD PRO A 44 11.091 10.020 0.489 1.00 0.51 C ATOM 0 HA PRO A 44 13.448 11.424 -1.119 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.642 13.255 0.048 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.232 12.263 -1.337 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.609 11.812 1.567 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.598 11.528 0.164 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.825 9.471 1.392 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.657 9.480 -0.352 1.00 0.51 H new ATOM 789 N ASP A 45 13.801 11.864 2.038 1.00 0.74 N ATOM 790 CA ASP A 45 14.707 12.413 3.037 1.00 0.85 C ATOM 791 C ASP A 45 16.152 12.080 2.680 1.00 0.89 C ATOM 792 O ASP A 45 17.069 12.850 2.965 1.00 0.96 O ATOM 793 CB ASP A 45 14.360 11.851 4.416 1.00 0.92 C ATOM 794 CG ASP A 45 15.273 12.363 5.511 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.985 13.438 6.079 1.00 1.11 O ATOM 796 OD2 ASP A 45 16.292 11.703 5.799 1.00 1.16 O ATOM 0 H ASP A 45 13.157 11.161 2.400 1.00 0.74 H new ATOM 0 HA ASP A 45 14.596 13.497 3.058 1.00 0.85 H new ATOM 0 HB2 ASP A 45 13.330 12.110 4.659 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.416 10.763 4.383 1.00 0.92 H new ATOM 801 N LYS A 46 16.337 10.931 2.040 1.00 0.87 N ATOM 802 CA LYS A 46 17.657 10.495 1.605 1.00 0.94 C ATOM 803 C LYS A 46 17.871 10.860 0.146 1.00 0.90 C ATOM 804 O LYS A 46 19.003 10.951 -0.330 1.00 0.99 O ATOM 805 CB LYS A 46 17.811 8.982 1.761 1.00 1.00 C ATOM 806 CG LYS A 46 17.340 8.435 3.094 1.00 1.04 C ATOM 807 CD LYS A 46 17.842 7.020 3.303 1.00 1.13 C ATOM 808 CE LYS A 46 17.547 6.513 4.703 1.00 1.57 C ATOM 809 NZ LYS A 46 18.357 7.225 5.725 1.00 2.08 N ATOM 0 H LYS A 46 15.584 10.282 1.810 1.00 0.87 H new ATOM 0 HA LYS A 46 18.397 10.996 2.228 1.00 0.94 H new ATOM 0 HB2 LYS A 46 17.255 8.489 0.964 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.861 8.721 1.626 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.696 9.075 3.901 1.00 1.04 H new ATOM 0 HG3 LYS A 46 16.251 8.449 3.133 1.00 1.04 H new ATOM 0 HD2 LYS A 46 17.377 6.359 2.572 1.00 1.13 H new ATOM 0 HD3 LYS A 46 18.917 6.986 3.124 1.00 1.13 H new ATOM 0 HE2 LYS A 46 16.487 6.644 4.922 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.754 5.444 4.754 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 18.300 6.716 6.630 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 19.349 7.268 5.414 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.991 8.191 5.847 1.00 2.08 H new ATOM 823 N ASN A 47 16.767 11.067 -0.559 1.00 0.79 N ATOM 824 CA ASN A 47 16.802 11.365 -1.981 1.00 0.77 C ATOM 825 C ASN A 47 16.004 12.631 -2.269 1.00 0.74 C ATOM 826 O ASN A 47 14.869 12.573 -2.741 1.00 0.66 O ATOM 827 CB ASN A 47 16.235 10.202 -2.800 1.00 0.69 C ATOM 828 CG ASN A 47 16.896 8.873 -2.485 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.875 8.486 -3.123 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.368 8.168 -1.496 1.00 0.71 N ATOM 0 H ASN A 47 15.828 11.033 -0.162 1.00 0.79 H new ATOM 0 HA ASN A 47 17.842 11.517 -2.270 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.164 10.122 -2.613 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.357 10.419 -3.861 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.773 7.268 -1.238 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.556 8.525 -0.992 1.00 0.71 H new ATOM 837 N PRO A 48 16.578 13.787 -1.924 1.00 0.82 N ATOM 838 CA PRO A 48 15.968 15.099 -2.166 1.00 0.84 C ATOM 839 C PRO A 48 15.821 15.403 -3.651 1.00 0.84 C ATOM 840 O PRO A 48 16.499 14.799 -4.487 1.00 0.86 O ATOM 841 CB PRO A 48 16.957 16.074 -1.524 1.00 0.93 C ATOM 842 CG PRO A 48 18.249 15.336 -1.511 1.00 0.99 C ATOM 843 CD PRO A 48 17.876 13.908 -1.254 1.00 0.92 C ATOM 0 HA PRO A 48 14.959 15.159 -1.758 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.033 16.998 -2.097 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.646 16.349 -0.516 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.774 15.442 -2.460 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.913 15.716 -0.735 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.611 13.217 -1.667 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.802 13.695 -0.188 1.00 0.92 H new ATOM 851 N ASP A 49 14.912 16.327 -3.967 1.00 0.85 N ATOM 852 CA ASP A 49 14.635 16.736 -5.346 1.00 0.89 C ATOM 853 C ASP A 49 13.915 15.617 -6.091 1.00 0.82 C ATOM 854 O ASP A 49 13.723 15.671 -7.305 1.00 0.88 O ATOM 855 CB ASP A 49 15.926 17.140 -6.079 1.00 0.98 C ATOM 856 CG ASP A 49 15.665 17.741 -7.449 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.022 18.810 -7.528 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.104 17.151 -8.456 1.00 1.09 O ATOM 0 H ASP A 49 14.346 16.814 -3.273 1.00 0.85 H new ATOM 0 HA ASP A 49 13.986 17.611 -5.319 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.473 17.860 -5.470 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.565 16.264 -6.188 1.00 0.98 H new ATOM 863 N ASN A 50 13.476 14.618 -5.344 1.00 0.74 N ATOM 864 CA ASN A 50 12.801 13.480 -5.928 1.00 0.68 C ATOM 865 C ASN A 50 11.441 13.293 -5.267 1.00 0.64 C ATOM 866 O ASN A 50 11.317 12.632 -4.236 1.00 0.61 O ATOM 867 CB ASN A 50 13.646 12.212 -5.778 1.00 0.65 C ATOM 868 CG ASN A 50 13.165 11.086 -6.663 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.005 11.043 -7.065 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.050 10.152 -6.949 1.00 0.74 N ATOM 0 H ASN A 50 13.577 14.576 -4.330 1.00 0.74 H new ATOM 0 HA ASN A 50 12.658 13.667 -6.992 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.684 12.441 -6.019 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.625 11.886 -4.738 1.00 0.65 H new ATOM 0 HD21 ASN A 50 13.781 9.354 -7.525 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.003 10.227 -6.594 1.00 0.74 H new ATOM 877 N PRO A 51 10.409 13.924 -5.834 1.00 0.67 N ATOM 878 CA PRO A 51 9.035 13.805 -5.355 1.00 0.68 C ATOM 879 C PRO A 51 8.435 12.471 -5.757 1.00 0.66 C ATOM 880 O PRO A 51 7.526 11.950 -5.109 1.00 0.67 O ATOM 881 CB PRO A 51 8.295 14.950 -6.059 1.00 0.78 C ATOM 882 CG PRO A 51 9.344 15.739 -6.771 1.00 0.79 C ATOM 883 CD PRO A 51 10.501 14.817 -6.985 1.00 0.73 C ATOM 0 HA PRO A 51 8.970 13.858 -4.268 1.00 0.68 H new ATOM 0 HB2 PRO A 51 7.554 14.564 -6.759 1.00 0.78 H new ATOM 0 HB3 PRO A 51 7.761 15.570 -5.339 1.00 0.78 H new ATOM 0 HG2 PRO A 51 8.967 16.115 -7.722 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.643 16.606 -6.182 1.00 0.79 H new ATOM 0 HD2 PRO A 51 10.419 14.275 -7.927 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.449 15.354 -7.008 1.00 0.73 H new ATOM 891 N GLU A 52 8.949 11.933 -6.849 1.00 0.66 N ATOM 892 CA GLU A 52 8.534 10.638 -7.344 1.00 0.67 C ATOM 893 C GLU A 52 8.917 9.535 -6.365 1.00 0.57 C ATOM 894 O GLU A 52 8.210 8.540 -6.231 1.00 0.56 O ATOM 895 CB GLU A 52 9.182 10.411 -8.696 1.00 0.72 C ATOM 896 CG GLU A 52 8.995 11.600 -9.610 1.00 0.95 C ATOM 897 CD GLU A 52 7.562 11.764 -10.070 1.00 1.28 C ATOM 898 OE1 GLU A 52 6.734 12.282 -9.289 1.00 1.66 O ATOM 899 OE2 GLU A 52 7.256 11.400 -11.221 1.00 1.53 O ATOM 0 H GLU A 52 9.667 12.385 -7.416 1.00 0.66 H new ATOM 0 HA GLU A 52 7.449 10.614 -7.448 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.246 10.218 -8.562 1.00 0.72 H new ATOM 0 HB3 GLU A 52 8.753 9.523 -9.161 1.00 0.72 H new ATOM 0 HG2 GLU A 52 9.312 12.505 -9.091 1.00 0.95 H new ATOM 0 HG3 GLU A 52 9.641 11.489 -10.481 1.00 0.95 H new ATOM 906 N ALA A 53 10.033 9.733 -5.673 1.00 0.53 N ATOM 907 CA ALA A 53 10.485 8.796 -4.649 1.00 0.46 C ATOM 908 C ALA A 53 9.447 8.665 -3.544 1.00 0.42 C ATOM 909 O ALA A 53 9.243 7.585 -3.004 1.00 0.37 O ATOM 910 CB ALA A 53 11.818 9.239 -4.070 1.00 0.47 C ATOM 0 H ALA A 53 10.645 10.538 -5.803 1.00 0.53 H new ATOM 0 HA ALA A 53 10.617 7.820 -5.116 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.138 8.528 -3.308 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.564 9.281 -4.864 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.710 10.227 -3.622 1.00 0.47 H new ATOM 916 N ALA A 54 8.784 9.773 -3.227 1.00 0.45 N ATOM 917 CA ALA A 54 7.703 9.768 -2.249 1.00 0.44 C ATOM 918 C ALA A 54 6.571 8.872 -2.719 1.00 0.43 C ATOM 919 O ALA A 54 5.943 8.170 -1.930 1.00 0.41 O ATOM 920 CB ALA A 54 7.177 11.176 -2.037 1.00 0.51 C ATOM 0 H ALA A 54 8.978 10.688 -3.635 1.00 0.45 H new ATOM 0 HA ALA A 54 8.096 9.386 -1.307 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.370 11.157 -1.304 1.00 0.51 H new ATOM 0 HB2 ALA A 54 7.982 11.814 -1.673 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.800 11.570 -2.981 1.00 0.51 H new ATOM 926 N ASP A 55 6.327 8.905 -4.019 1.00 0.46 N ATOM 927 CA ASP A 55 5.272 8.115 -4.632 1.00 0.47 C ATOM 928 C ASP A 55 5.643 6.637 -4.611 1.00 0.39 C ATOM 929 O ASP A 55 4.806 5.778 -4.331 1.00 0.36 O ATOM 930 CB ASP A 55 5.040 8.600 -6.062 1.00 0.57 C ATOM 931 CG ASP A 55 3.848 7.937 -6.728 1.00 0.63 C ATOM 932 OD1 ASP A 55 4.014 6.833 -7.289 1.00 0.66 O ATOM 933 OD2 ASP A 55 2.742 8.514 -6.685 1.00 0.72 O ATOM 0 H ASP A 55 6.853 9.479 -4.678 1.00 0.46 H new ATOM 0 HA ASP A 55 4.348 8.238 -4.066 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.890 9.680 -6.054 1.00 0.57 H new ATOM 0 HB3 ASP A 55 5.934 8.407 -6.655 1.00 0.57 H new ATOM 938 N LYS A 56 6.906 6.349 -4.896 1.00 0.39 N ATOM 939 CA LYS A 56 7.431 4.993 -4.781 1.00 0.34 C ATOM 940 C LYS A 56 7.366 4.527 -3.332 1.00 0.28 C ATOM 941 O LYS A 56 6.943 3.413 -3.040 1.00 0.26 O ATOM 942 CB LYS A 56 8.879 4.950 -5.246 1.00 0.38 C ATOM 943 CG LYS A 56 9.160 5.680 -6.551 1.00 0.48 C ATOM 944 CD LYS A 56 8.711 4.894 -7.768 1.00 0.64 C ATOM 945 CE LYS A 56 7.222 5.040 -8.036 1.00 0.83 C ATOM 946 NZ LYS A 56 6.790 4.237 -9.206 1.00 0.98 N ATOM 0 H LYS A 56 7.589 7.039 -5.210 1.00 0.39 H new ATOM 0 HA LYS A 56 6.826 4.336 -5.406 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.508 5.378 -4.465 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.177 3.908 -5.359 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.653 6.645 -6.539 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.228 5.882 -6.627 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.269 5.232 -8.641 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.950 3.840 -7.625 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.662 4.728 -7.155 1.00 0.83 H new ATOM 0 HE3 LYS A 56 6.985 6.090 -8.209 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.385 4.866 -9.929 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.609 3.735 -9.604 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.072 3.546 -8.907 1.00 0.98 H new ATOM 960 N PHE A 57 7.777 5.410 -2.431 1.00 0.27 N ATOM 961 CA PHE A 57 7.759 5.135 -0.998 1.00 0.24 C ATOM 962 C PHE A 57 6.331 4.878 -0.529 1.00 0.24 C ATOM 963 O PHE A 57 6.097 4.261 0.505 1.00 0.26 O ATOM 964 CB PHE A 57 8.373 6.316 -0.237 1.00 0.27 C ATOM 965 CG PHE A 57 8.417 6.138 1.254 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.335 5.280 1.835 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.544 6.834 2.074 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.380 5.117 3.205 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.585 6.673 3.446 1.00 0.34 C ATOM 970 CZ PHE A 57 8.504 5.814 4.011 1.00 0.37 C ATOM 0 H PHE A 57 8.132 6.336 -2.671 1.00 0.27 H new ATOM 0 HA PHE A 57 8.351 4.242 -0.797 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.387 6.479 -0.601 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.803 7.216 -0.467 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.024 4.732 1.209 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.824 7.510 1.637 1.00 0.30 H new ATOM 0 HE1 PHE A 57 10.101 4.444 3.646 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.898 7.219 4.075 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.538 5.687 5.083 1.00 0.37 H new ATOM 980 N LYS A 58 5.389 5.339 -1.325 1.00 0.26 N ATOM 981 CA LYS A 58 3.979 5.208 -1.028 1.00 0.28 C ATOM 982 C LYS A 58 3.415 3.878 -1.544 1.00 0.26 C ATOM 983 O LYS A 58 2.549 3.282 -0.904 1.00 0.29 O ATOM 984 CB LYS A 58 3.260 6.421 -1.621 1.00 0.32 C ATOM 985 CG LYS A 58 1.853 6.161 -2.131 1.00 0.36 C ATOM 986 CD LYS A 58 1.185 7.451 -2.587 1.00 0.52 C ATOM 987 CE LYS A 58 2.055 8.212 -3.576 1.00 0.79 C ATOM 988 NZ LYS A 58 1.388 9.433 -4.100 1.00 1.41 N ATOM 0 H LYS A 58 5.583 5.819 -2.204 1.00 0.26 H new ATOM 0 HA LYS A 58 3.820 5.189 0.050 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.214 7.202 -0.862 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.860 6.811 -2.443 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.889 5.454 -2.960 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.258 5.699 -1.344 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.225 7.221 -3.048 1.00 0.52 H new ATOM 0 HD3 LYS A 58 0.980 8.081 -1.722 1.00 0.52 H new ATOM 0 HE2 LYS A 58 2.990 8.493 -3.091 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.312 7.557 -4.408 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 1.593 9.532 -5.115 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.360 9.354 -3.961 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.743 10.268 -3.592 1.00 1.41 H new ATOM 1002 N GLU A 59 3.921 3.392 -2.677 1.00 0.25 N ATOM 1003 CA GLU A 59 3.485 2.093 -3.192 1.00 0.24 C ATOM 1004 C GLU A 59 4.144 0.959 -2.420 1.00 0.23 C ATOM 1005 O GLU A 59 3.528 -0.081 -2.179 1.00 0.25 O ATOM 1006 CB GLU A 59 3.758 1.940 -4.696 1.00 0.28 C ATOM 1007 CG GLU A 59 5.179 2.245 -5.126 1.00 0.32 C ATOM 1008 CD GLU A 59 5.405 1.965 -6.598 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.897 2.735 -7.436 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.094 0.974 -6.927 1.00 0.51 O ATOM 0 H GLU A 59 4.620 3.867 -3.247 1.00 0.25 H new ATOM 0 HA GLU A 59 2.406 2.042 -3.049 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.517 0.919 -4.991 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.081 2.598 -5.241 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.403 3.291 -4.919 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.872 1.647 -4.534 1.00 0.32 H new ATOM 1017 N ILE A 60 5.390 1.160 -2.021 1.00 0.23 N ATOM 1018 CA ILE A 60 6.088 0.173 -1.210 1.00 0.24 C ATOM 1019 C ILE A 60 5.500 0.159 0.189 1.00 0.24 C ATOM 1020 O ILE A 60 5.433 -0.882 0.842 1.00 0.27 O ATOM 1021 CB ILE A 60 7.601 0.453 -1.161 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.880 1.789 -0.479 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.154 0.456 -2.571 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.336 2.192 -0.474 1.00 0.28 C ATOM 0 H ILE A 60 5.937 1.992 -2.243 1.00 0.23 H new ATOM 0 HA ILE A 60 5.954 -0.807 -1.667 1.00 0.24 H new ATOM 0 HB ILE A 60 8.090 -0.330 -0.581 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.302 2.566 -0.978 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.525 1.739 0.550 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.225 0.654 -2.541 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.977 -0.515 -3.033 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.658 1.231 -3.155 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.446 3.152 0.030 1.00 0.28 H new ATOM 0 HD12 ILE A 60 9.921 1.437 0.052 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.693 2.277 -1.500 1.00 0.28 H new ATOM 1036 N ASN A 61 5.041 1.333 0.618 1.00 0.24 N ATOM 1037 CA ASN A 61 4.304 1.492 1.865 1.00 0.28 C ATOM 1038 C ASN A 61 3.065 0.596 1.854 1.00 0.29 C ATOM 1039 O ASN A 61 2.577 0.166 2.896 1.00 0.36 O ATOM 1040 CB ASN A 61 3.882 2.964 2.012 1.00 0.36 C ATOM 1041 CG ASN A 61 2.921 3.228 3.160 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.336 3.562 4.268 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.626 3.103 2.897 1.00 0.60 N ATOM 0 H ASN A 61 5.172 2.205 0.105 1.00 0.24 H new ATOM 0 HA ASN A 61 4.937 1.206 2.705 1.00 0.28 H new ATOM 0 HB2 ASN A 61 4.775 3.573 2.154 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.417 3.291 1.082 1.00 0.36 H new ATOM 0 HD21 ASN A 61 0.937 3.286 3.627 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.319 2.824 1.965 1.00 0.60 H new ATOM 1050 N ASN A 62 2.589 0.319 0.646 1.00 0.25 N ATOM 1051 CA ASN A 62 1.349 -0.409 0.424 1.00 0.27 C ATOM 1052 C ASN A 62 1.569 -1.918 0.413 1.00 0.22 C ATOM 1053 O ASN A 62 1.024 -2.633 1.242 1.00 0.20 O ATOM 1054 CB ASN A 62 0.772 0.001 -0.919 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.672 -0.374 -1.068 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -0.917 -1.604 -1.476 1.00 0.77 O flip ATOM 1057 ND2 ASN A 62 -1.557 0.429 -0.814 1.00 0.21 N flip ATOM 0 H ASN A 62 3.059 0.597 -0.215 1.00 0.25 H new ATOM 0 HA ASN A 62 0.668 -0.167 1.240 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.877 1.079 -1.041 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.349 -0.468 -1.716 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.318 1.370 -0.501 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -2.535 0.159 -0.915 1.00 0.21 H new ATOM 1064 N ALA A 63 2.376 -2.394 -0.539 1.00 0.20 N ATOM 1065 CA ALA A 63 2.533 -3.831 -0.791 1.00 0.18 C ATOM 1066 C ALA A 63 3.081 -4.584 0.427 1.00 0.14 C ATOM 1067 O ALA A 63 3.016 -5.812 0.490 1.00 0.14 O ATOM 1068 CB ALA A 63 3.444 -4.045 -1.989 1.00 0.19 C ATOM 0 H ALA A 63 2.935 -1.801 -1.153 1.00 0.20 H new ATOM 0 HA ALA A 63 1.543 -4.236 -0.999 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.558 -5.113 -2.173 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.007 -3.570 -2.868 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.421 -3.605 -1.787 1.00 0.19 H new ATOM 1074 N HIS A 64 3.607 -3.824 1.377 1.00 0.13 N ATOM 1075 CA HIS A 64 4.247 -4.349 2.581 1.00 0.11 C ATOM 1076 C HIS A 64 3.443 -5.472 3.264 1.00 0.13 C ATOM 1077 O HIS A 64 3.999 -6.518 3.606 1.00 0.20 O ATOM 1078 CB HIS A 64 4.485 -3.167 3.535 1.00 0.15 C ATOM 1079 CG HIS A 64 4.788 -3.527 4.956 1.00 0.37 C ATOM 1080 ND1 HIS A 64 5.995 -4.046 5.369 1.00 1.02 N ATOM 1081 CD2 HIS A 64 4.037 -3.397 6.071 1.00 1.02 C ATOM 1082 CE1 HIS A 64 5.969 -4.217 6.677 1.00 1.00 C ATOM 1083 NE2 HIS A 64 4.793 -3.832 7.127 1.00 0.96 N ATOM 0 H HIS A 64 3.602 -2.805 1.334 1.00 0.13 H new ATOM 0 HA HIS A 64 5.191 -4.817 2.300 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.312 -2.572 3.147 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.600 -2.530 3.522 1.00 0.15 H new ATOM 0 HD2 HIS A 64 3.026 -3.020 6.121 1.00 1.02 H new ATOM 0 HE1 HIS A 64 6.777 -4.607 7.278 1.00 1.00 H new ATOM 0 HE2 HIS A 64 4.494 -3.854 8.102 1.00 0.96 H new ATOM 1092 N ALA A 65 2.159 -5.252 3.501 1.00 0.14 N ATOM 1093 CA ALA A 65 1.331 -6.251 4.171 1.00 0.17 C ATOM 1094 C ALA A 65 0.628 -7.190 3.195 1.00 0.13 C ATOM 1095 O ALA A 65 0.572 -8.398 3.420 1.00 0.14 O ATOM 1096 CB ALA A 65 0.306 -5.574 5.065 1.00 0.25 C ATOM 0 H ALA A 65 1.667 -4.397 3.242 1.00 0.14 H new ATOM 0 HA ALA A 65 2.004 -6.860 4.775 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.304 -6.331 5.558 1.00 0.25 H new ATOM 0 HB2 ALA A 65 0.819 -4.975 5.818 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.333 -4.929 4.462 1.00 0.25 H new ATOM 1102 N ILE A 66 0.128 -6.625 2.105 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.850 -7.296 1.240 1.00 0.12 C ATOM 1104 C ILE A 66 -0.406 -8.678 0.773 1.00 0.13 C ATOM 1105 O ILE A 66 -1.194 -9.618 0.749 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.159 -6.479 -0.028 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.723 -5.017 0.106 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.642 -6.565 -0.331 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.486 -4.228 1.139 1.00 0.14 C ATOM 0 H ILE A 66 0.384 -5.689 1.790 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.734 -7.391 1.871 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.588 -6.905 -0.853 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.337 -4.989 0.357 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.835 -4.528 -0.862 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.864 -5.987 -1.228 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.921 -7.606 -0.491 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.209 -6.163 0.509 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.111 -3.205 1.165 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.545 -4.220 0.881 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.355 -4.688 2.118 1.00 0.14 H new ATOM 1121 N LEU A 67 0.856 -8.782 0.394 1.00 0.12 N ATOM 1122 CA LEU A 67 1.386 -9.975 -0.264 1.00 0.14 C ATOM 1123 C LEU A 67 1.178 -11.234 0.560 1.00 0.16 C ATOM 1124 O LEU A 67 0.916 -12.306 0.018 1.00 0.21 O ATOM 1125 CB LEU A 67 2.872 -9.787 -0.518 1.00 0.15 C ATOM 1126 CG LEU A 67 3.239 -8.431 -1.098 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.725 -8.362 -1.378 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.418 -8.165 -2.348 1.00 0.16 C ATOM 0 H LEU A 67 1.547 -8.044 0.532 1.00 0.12 H new ATOM 0 HA LEU A 67 0.843 -10.101 -1.201 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.410 -9.926 0.420 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.214 -10.566 -1.200 1.00 0.15 H new ATOM 0 HG LEU A 67 3.007 -7.652 -0.372 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.972 -7.385 -1.793 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.277 -8.513 -0.450 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.997 -9.139 -2.092 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.686 -7.192 -2.759 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.621 -8.939 -3.088 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.358 -8.173 -2.095 1.00 0.16 H new ATOM 1140 N THR A 68 1.311 -11.095 1.858 1.00 0.15 N ATOM 1141 CA THR A 68 1.252 -12.229 2.756 1.00 0.18 C ATOM 1142 C THR A 68 -0.029 -12.214 3.592 1.00 0.18 C ATOM 1143 O THR A 68 -0.485 -13.259 4.063 1.00 0.23 O ATOM 1144 CB THR A 68 2.496 -12.236 3.671 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.356 -13.190 4.729 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.740 -10.850 4.246 1.00 0.20 C ATOM 0 H THR A 68 1.462 -10.199 2.321 1.00 0.15 H new ATOM 0 HA THR A 68 1.242 -13.140 2.157 1.00 0.18 H new ATOM 0 HB THR A 68 3.354 -12.525 3.065 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.158 -13.174 5.292 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.620 -10.872 4.888 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.902 -10.142 3.433 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.873 -10.540 4.829 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.621 -11.039 3.751 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.801 -10.891 4.597 1.00 0.19 C ATOM 1156 C ASP A 69 -3.093 -11.010 3.794 1.00 0.17 C ATOM 1157 O ASP A 69 -3.309 -10.272 2.831 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.774 -9.550 5.317 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.894 -9.438 6.322 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -2.747 -9.967 7.434 1.00 0.58 O ATOM 1161 OD2 ASP A 69 -3.927 -8.806 6.007 1.00 0.28 O ATOM 0 H ASP A 69 -0.307 -10.176 3.308 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.777 -11.700 5.327 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.816 -9.427 5.823 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.856 -8.743 4.589 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.958 -11.928 4.217 1.00 0.19 N ATOM 1167 CA ALA A 70 -5.235 -12.157 3.548 1.00 0.21 C ATOM 1168 C ALA A 70 -6.191 -10.988 3.746 1.00 0.18 C ATOM 1169 O ALA A 70 -7.024 -10.716 2.888 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.878 -13.441 4.049 1.00 0.27 C ATOM 0 H ALA A 70 -3.796 -12.529 5.025 1.00 0.19 H new ATOM 0 HA ALA A 70 -5.031 -12.250 2.481 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.829 -13.595 3.539 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -5.216 -14.283 3.845 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -6.050 -13.367 5.123 1.00 0.27 H new ATOM 1176 N THR A 71 -6.069 -10.296 4.871 1.00 0.17 N ATOM 1177 CA THR A 71 -6.932 -9.160 5.152 1.00 0.17 C ATOM 1178 C THR A 71 -6.660 -8.026 4.171 1.00 0.14 C ATOM 1179 O THR A 71 -7.568 -7.544 3.507 1.00 0.15 O ATOM 1180 CB THR A 71 -6.756 -8.647 6.595 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.047 -9.697 7.531 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.661 -7.453 6.857 1.00 0.21 C ATOM 0 H THR A 71 -5.385 -10.501 5.599 1.00 0.17 H new ATOM 0 HA THR A 71 -7.960 -9.503 5.037 1.00 0.17 H new ATOM 0 HB THR A 71 -5.721 -8.331 6.722 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.931 -9.362 8.445 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.520 -7.108 7.881 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.411 -6.649 6.165 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.701 -7.746 6.713 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.405 -7.615 4.062 1.00 0.13 N ATOM 1191 CA LYS A 72 -5.033 -6.572 3.136 1.00 0.13 C ATOM 1192 C LYS A 72 -5.280 -7.026 1.704 1.00 0.12 C ATOM 1193 O LYS A 72 -5.691 -6.238 0.869 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.572 -6.160 3.330 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.336 -5.232 4.519 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.657 -5.890 5.853 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.417 -4.946 7.018 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.720 -5.575 8.331 1.00 0.71 N ATOM 0 H LYS A 72 -4.630 -7.993 4.608 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.654 -5.699 3.336 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.967 -7.058 3.458 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.222 -5.667 2.423 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.295 -4.908 4.520 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.948 -4.338 4.403 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.697 -6.216 5.857 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -3.043 -6.782 5.975 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.378 -4.617 7.007 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.034 -4.056 6.894 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -3.540 -4.891 9.093 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.718 -5.866 8.355 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -3.113 -6.409 8.465 1.00 0.71 H new ATOM 1212 N ARG A 73 -5.055 -8.306 1.426 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.325 -8.843 0.095 1.00 0.15 C ATOM 1214 C ARG A 73 -6.827 -8.805 -0.181 1.00 0.16 C ATOM 1215 O ARG A 73 -7.269 -8.755 -1.330 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.809 -10.277 -0.026 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.376 -10.658 -1.435 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.933 -10.247 -1.720 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.537 -10.550 -3.096 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.421 -11.202 -3.427 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.623 -11.685 -2.480 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.118 -11.390 -4.706 1.00 0.97 N ATOM 0 H ARG A 73 -4.691 -8.985 2.095 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.805 -8.228 -0.640 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.965 -10.408 0.651 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.590 -10.963 0.302 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.479 -11.735 -1.567 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.038 -10.183 -2.159 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.818 -9.179 -1.537 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.266 -10.763 -1.029 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.153 -10.244 -3.849 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -0.863 -11.558 -1.497 1.00 1.45 H new ATOM 0 HH12 ARG A 73 0.229 -12.183 -2.736 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.738 -11.036 -5.434 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.265 -11.888 -4.960 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.604 -8.821 0.894 1.00 0.16 N ATOM 1237 CA ASN A 74 -9.054 -8.731 0.808 1.00 0.18 C ATOM 1238 C ASN A 74 -9.473 -7.310 0.480 1.00 0.17 C ATOM 1239 O ASN A 74 -10.427 -7.090 -0.268 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.678 -9.190 2.126 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.547 -10.420 1.974 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -11.222 -10.606 0.962 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.524 -11.278 2.984 1.00 0.43 N ATOM 0 H ASN A 74 -7.248 -8.896 1.847 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.408 -9.382 0.009 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.885 -9.399 2.843 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.276 -8.378 2.540 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -11.080 -12.132 2.941 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.950 -11.084 3.805 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.749 -6.349 1.031 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.959 -4.955 0.685 1.00 0.13 C ATOM 1252 C ILE A 75 -8.420 -4.690 -0.712 1.00 0.14 C ATOM 1253 O ILE A 75 -9.047 -3.996 -1.491 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.302 -3.977 1.701 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.145 -3.862 2.978 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.110 -2.591 1.076 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.234 -5.135 3.787 1.00 0.20 C ATOM 0 H ILE A 75 -8.013 -6.509 1.718 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.033 -4.771 0.717 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.325 -4.382 1.965 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.725 -3.076 3.606 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.153 -3.548 2.706 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.649 -1.924 1.805 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.466 -2.673 0.201 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.078 -2.189 0.778 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.848 -4.962 4.671 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.684 -5.921 3.180 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.234 -5.441 4.094 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.273 -5.285 -1.018 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.626 -5.159 -2.325 1.00 0.18 C ATOM 1271 C TYR A 76 -7.600 -5.425 -3.472 1.00 0.19 C ATOM 1272 O TYR A 76 -7.562 -4.749 -4.499 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.428 -6.119 -2.379 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.093 -6.660 -3.753 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.532 -5.830 -4.713 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.346 -7.981 -4.096 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.228 -6.299 -5.973 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.043 -8.457 -5.359 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.471 -7.693 -6.256 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.185 -8.076 -7.553 1.00 0.52 O ATOM 0 H TYR A 76 -6.759 -5.874 -0.363 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.279 -4.133 -2.449 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.552 -5.603 -1.987 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.627 -6.960 -1.714 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.330 -4.798 -4.469 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -5.785 -8.646 -3.367 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.820 -5.642 -6.727 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.283 -9.480 -5.611 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.375 -9.031 -7.661 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.481 -6.394 -3.282 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.464 -6.752 -4.301 1.00 0.22 C ATOM 1292 C ASP A 77 -10.515 -5.648 -4.476 1.00 0.22 C ATOM 1293 O ASP A 77 -11.178 -5.558 -5.510 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.139 -8.075 -3.918 1.00 0.31 C ATOM 1295 CG ASP A 77 -11.262 -8.472 -4.856 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.971 -8.973 -5.962 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.444 -8.297 -4.480 1.00 1.74 O ATOM 0 H ASP A 77 -8.538 -6.951 -2.429 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.947 -6.869 -5.254 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.389 -8.866 -3.905 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.533 -7.993 -2.905 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.639 -4.789 -3.476 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.668 -3.762 -3.467 1.00 0.21 C ATOM 1304 C LYS A 78 -11.039 -2.385 -3.633 1.00 0.20 C ATOM 1305 O LYS A 78 -11.313 -1.662 -4.593 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.436 -3.831 -2.146 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.128 -5.160 -1.917 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.663 -5.272 -0.503 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.485 -6.535 -0.319 1.00 1.31 C ATOM 1310 NZ LYS A 78 -15.692 -6.548 -1.190 1.00 1.92 N ATOM 0 H LYS A 78 -10.034 -4.784 -2.654 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.354 -3.931 -4.297 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.746 -3.643 -1.324 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.180 -3.035 -2.126 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.947 -5.272 -2.627 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.428 -5.973 -2.108 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.832 -5.271 0.203 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.277 -4.401 -0.275 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -13.867 -7.405 -0.543 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -14.790 -6.620 0.724 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -16.379 -7.237 -0.822 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -16.123 -5.601 -1.201 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -15.419 -6.815 -2.157 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.190 -2.043 -2.683 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.459 -0.799 -2.695 1.00 0.19 C ATOM 1326 C TYR A 79 -7.979 -1.084 -2.917 1.00 0.21 C ATOM 1327 O TYR A 79 -7.357 -1.787 -2.125 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.668 -0.050 -1.377 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.112 0.317 -1.103 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.992 -0.604 -0.551 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.592 1.586 -1.396 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -13.309 -0.272 -0.299 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -12.908 1.927 -1.147 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.764 0.988 -0.605 1.00 0.72 C ATOM 1335 OH TYR A 79 -15.073 1.334 -0.347 1.00 0.88 O ATOM 0 H TYR A 79 -9.989 -2.631 -1.874 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.827 -0.171 -3.507 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.298 -0.666 -0.557 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.068 0.860 -1.388 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.641 -1.598 -0.314 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -10.926 2.319 -1.826 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.978 -0.999 0.137 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.265 2.921 -1.375 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.227 2.262 -0.623 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.430 -0.559 -4.004 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.012 -0.712 -4.273 1.00 0.25 C ATOM 1347 C GLY A 80 -5.150 0.078 -3.310 1.00 0.20 C ATOM 1348 O GLY A 80 -5.355 0.035 -2.098 1.00 0.22 O ATOM 0 H GLY A 80 -7.943 -0.028 -4.708 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.746 -1.767 -4.212 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.802 -0.389 -5.293 1.00 0.25 H new ATOM 1352 N SER A 81 -4.214 0.831 -3.858 1.00 0.23 N ATOM 1353 CA SER A 81 -3.242 1.567 -3.063 1.00 0.25 C ATOM 1354 C SER A 81 -3.891 2.428 -1.973 1.00 0.23 C ATOM 1355 O SER A 81 -3.355 2.531 -0.891 1.00 0.25 O ATOM 1356 CB SER A 81 -2.387 2.430 -3.988 1.00 0.34 C ATOM 1357 OG SER A 81 -1.757 1.630 -4.977 1.00 0.41 O ATOM 0 H SER A 81 -4.104 0.951 -4.865 1.00 0.23 H new ATOM 0 HA SER A 81 -2.619 0.838 -2.545 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.009 3.186 -4.466 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.633 2.959 -3.406 1.00 0.34 H new ATOM 0 HG SER A 81 -1.215 2.200 -5.562 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.033 3.056 -2.250 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.690 3.873 -1.221 1.00 0.25 C ATOM 1365 C LEU A 82 -6.112 3.048 -0.027 1.00 0.22 C ATOM 1366 O LEU A 82 -5.599 3.246 1.070 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.911 4.622 -1.740 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.674 5.368 -0.638 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.772 6.382 0.031 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.912 6.054 -1.179 1.00 0.69 C ATOM 0 H LEU A 82 -5.514 3.020 -3.149 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.935 4.600 -0.922 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.595 5.335 -2.502 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.584 3.915 -2.225 1.00 0.29 H new ATOM 0 HG LEU A 82 -7.995 4.629 0.097 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.327 6.904 0.811 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.917 5.872 0.474 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.422 7.102 -0.709 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.425 6.571 -0.368 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.624 6.775 -1.944 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.579 5.310 -1.614 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.059 2.139 -0.240 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.577 1.358 0.850 1.00 0.23 C ATOM 1384 C GLY A 83 -6.474 0.643 1.571 1.00 0.21 C ATOM 1385 O GLY A 83 -6.485 0.543 2.782 1.00 0.23 O ATOM 0 H GLY A 83 -7.472 1.935 -1.150 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.110 2.006 1.545 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.299 0.634 0.472 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.486 0.200 0.825 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.364 -0.507 1.412 1.00 0.20 C ATOM 1391 C LEU A 84 -3.430 0.444 2.155 1.00 0.21 C ATOM 1392 O LEU A 84 -2.963 0.124 3.238 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.612 -1.272 0.342 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.411 -2.384 -0.323 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.591 -3.036 -1.419 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.833 -3.408 0.715 1.00 0.30 C ATOM 0 H LEU A 84 -5.435 0.315 -0.187 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.756 -1.216 2.142 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.284 -0.570 -0.425 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.714 -1.703 0.785 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.307 -1.959 -0.775 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.174 -3.830 -1.886 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.327 -2.290 -2.169 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.682 -3.458 -0.991 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.404 -4.201 0.232 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.948 -3.834 1.187 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.451 -2.925 1.472 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.174 1.614 1.584 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.345 2.632 2.232 1.00 0.23 C ATOM 1410 C TYR A 85 -2.818 2.885 3.655 1.00 0.24 C ATOM 1411 O TYR A 85 -2.016 3.043 4.575 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.381 3.931 1.402 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.593 5.204 2.196 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -1.512 5.895 2.734 1.00 0.38 C ATOM 1415 CD2 TYR A 85 -3.869 5.703 2.419 1.00 0.28 C ATOM 1416 CE1 TYR A 85 -1.698 7.050 3.467 1.00 0.45 C ATOM 1417 CE2 TYR A 85 -4.063 6.857 3.153 1.00 0.37 C ATOM 1418 CZ TYR A 85 -2.991 7.550 3.632 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.167 8.673 4.412 1.00 0.52 O ATOM 0 H TYR A 85 -3.529 1.886 0.667 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.317 2.274 2.284 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.443 4.017 0.853 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.177 3.847 0.662 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -0.511 5.522 2.576 1.00 0.38 H new ATOM 0 HD2 TYR A 85 -4.723 5.181 2.013 1.00 0.28 H new ATOM 0 HE1 TYR A 85 -0.854 7.560 3.907 1.00 0.45 H new ATOM 0 HE2 TYR A 85 -5.065 7.211 3.348 1.00 0.37 H new ATOM 0 HH TYR A 85 -4.118 8.908 4.437 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.123 2.923 3.827 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.700 3.158 5.128 1.00 0.25 C ATOM 1431 C VAL A 86 -4.954 1.842 5.893 1.00 0.24 C ATOM 1432 O VAL A 86 -4.713 1.762 7.103 1.00 0.27 O ATOM 1433 CB VAL A 86 -5.992 4.006 4.987 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.850 3.520 3.831 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.797 4.006 6.265 1.00 0.32 C ATOM 0 H VAL A 86 -4.803 2.793 3.078 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.983 3.721 5.725 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.679 5.029 4.779 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.747 4.135 3.760 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.285 3.594 2.902 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.135 2.482 4.001 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.694 4.610 6.130 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.081 2.984 6.516 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.197 4.424 7.073 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.397 0.805 5.193 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.741 -0.465 5.835 1.00 0.24 C ATOM 1447 C ALA A 87 -4.514 -1.278 6.218 1.00 0.22 C ATOM 1448 O ALA A 87 -4.495 -1.921 7.263 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.632 -1.307 4.939 1.00 0.25 C ATOM 0 H ALA A 87 -5.528 0.815 4.181 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.276 -0.204 6.748 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.872 -2.244 5.441 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.553 -0.763 4.727 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.112 -1.519 4.005 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.498 -1.265 5.375 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.322 -2.080 5.612 1.00 0.21 C ATOM 1457 C GLU A 88 -1.503 -1.473 6.744 1.00 0.20 C ATOM 1458 O GLU A 88 -0.935 -2.188 7.570 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.507 -2.236 4.307 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.299 -1.318 4.168 1.00 0.25 C ATOM 1461 CD GLU A 88 0.960 -1.929 4.755 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.592 -2.778 4.094 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.331 -1.548 5.876 1.00 1.24 O ATOM 0 H GLU A 88 -3.463 -0.702 4.525 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.618 -3.083 5.920 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.166 -3.269 4.235 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.172 -2.061 3.462 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.134 -1.095 3.114 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.506 -0.371 4.666 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.504 -0.151 6.807 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.702 0.573 7.779 1.00 0.24 C ATOM 1472 C GLN A 89 -1.399 0.673 9.138 1.00 0.29 C ATOM 1473 O GLN A 89 -0.737 0.672 10.178 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.381 1.966 7.238 1.00 0.25 C ATOM 1475 CG GLN A 89 0.614 1.960 6.088 1.00 0.27 C ATOM 1476 CD GLN A 89 2.031 1.610 6.530 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.426 1.889 7.666 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.803 0.984 5.647 1.00 0.38 N ATOM 0 H GLN A 89 -2.056 0.446 6.191 1.00 0.22 H new ATOM 0 HA GLN A 89 0.223 0.018 7.935 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.305 2.439 6.905 1.00 0.25 H new ATOM 0 HB3 GLN A 89 0.016 2.578 8.048 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.287 1.243 5.335 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.619 2.941 5.614 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.443 0.769 4.717 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.755 0.718 5.900 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.727 0.755 9.144 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.459 0.914 10.401 1.00 0.34 C ATOM 1489 C PHE A 90 -4.611 -0.080 10.533 1.00 0.37 C ATOM 1490 O PHE A 90 -4.838 -0.633 11.611 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.011 2.332 10.523 1.00 0.37 C ATOM 1492 CG PHE A 90 -2.961 3.404 10.572 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.248 3.637 11.737 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.685 4.177 9.457 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.280 4.621 11.788 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.718 5.163 9.502 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.017 5.387 10.656 1.00 0.62 C ATOM 0 H PHE A 90 -3.312 0.715 8.309 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.747 0.718 11.202 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.672 2.526 9.678 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.620 2.395 11.425 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.451 3.042 12.615 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.232 4.007 8.541 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -0.730 4.795 12.701 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.515 5.758 8.624 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.261 6.157 10.688 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.344 -0.300 9.455 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.462 -1.222 9.503 1.00 0.41 C ATOM 1509 C GLY A 91 -7.728 -0.613 8.946 1.00 0.43 C ATOM 1510 O GLY A 91 -8.308 0.289 9.551 1.00 0.51 O ATOM 0 H GLY A 91 -5.188 0.141 8.549 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.214 -2.121 8.938 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.632 -1.530 10.534 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.162 -1.145 7.811 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.299 -0.622 7.049 1.00 0.47 C ATOM 1516 C GLU A 92 -10.500 -0.347 7.939 1.00 0.54 C ATOM 1517 O GLU A 92 -11.207 0.646 7.767 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.679 -1.643 5.976 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.699 -1.150 4.968 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.138 -0.141 3.987 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -9.219 0.617 4.357 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -10.642 -0.098 2.840 1.00 2.23 O ATOM 0 H GLU A 92 -7.731 -1.965 7.384 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.004 0.325 6.596 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.777 -1.943 5.443 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -10.072 -2.535 6.465 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.093 -2.002 4.415 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -11.537 -0.700 5.501 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.698 -1.219 8.906 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.856 -1.161 9.774 1.00 0.66 C ATOM 1531 C GLU A 93 -11.986 0.176 10.508 1.00 0.68 C ATOM 1532 O GLU A 93 -13.077 0.736 10.580 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.792 -2.316 10.771 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.486 -2.373 11.549 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.288 -3.698 12.245 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -10.752 -3.838 13.396 1.00 1.33 O ATOM 1537 OE2 GLU A 93 -9.667 -4.601 11.649 1.00 1.19 O ATOM 0 H GLU A 93 -10.061 -1.988 9.112 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.744 -1.251 9.148 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.621 -2.226 11.473 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.928 -3.256 10.236 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.653 -2.195 10.869 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.471 -1.572 12.288 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.883 0.701 11.030 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.960 1.854 11.924 1.00 0.64 C ATOM 1546 C ASN A 94 -10.602 3.170 11.232 1.00 0.65 C ATOM 1547 O ASN A 94 -11.299 4.172 11.398 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.075 1.638 13.165 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.584 1.626 12.860 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.927 2.662 12.889 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -8.035 0.453 12.580 1.00 0.70 N ATOM 0 H ASN A 94 -9.940 0.355 10.855 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.001 1.937 12.236 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.282 2.426 13.889 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.348 0.693 13.635 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.037 0.392 12.380 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.611 -0.389 12.564 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.535 3.169 10.447 1.00 0.54 N ATOM 1559 CA VAL A 95 -8.999 4.411 9.891 1.00 0.58 C ATOM 1560 C VAL A 95 -9.699 4.825 8.611 1.00 0.62 C ATOM 1561 O VAL A 95 -10.009 5.997 8.427 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.494 4.309 9.627 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -6.723 4.730 10.854 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.123 2.896 9.234 1.00 0.49 C ATOM 0 H VAL A 95 -9.023 2.329 10.179 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.183 5.175 10.647 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.237 4.976 8.804 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -5.654 4.654 10.656 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -6.973 5.761 11.105 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -6.984 4.080 11.689 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.050 2.839 9.050 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.389 2.212 10.040 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.662 2.617 8.329 1.00 0.49 H new