USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 63 ASN : amide:sc= -0.791 K(o=0.53,f=-1.2!) USER MOD Set 1.2: A 89 THR OG1 : rot 66:sc= 1.32 USER MOD Single : A 14 SER OG : rot 180:sc= -1.07! USER MOD Single : A 15 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.14) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.306 USER MOD Single : A 36 SER OG : rot -23:sc= 0.185 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.0586 (180deg=-0.432) USER MOD Single : A 43 ASN : amide:sc= -0.532 K(o=-0.53,f=-3.4!) USER MOD Single : A 44 TYR OH : rot 164:sc= 0.921 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc=-0.00849 (180deg=-0.513) USER MOD Single : A 50 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0444 (180deg=-0.319) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.371 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -108:sc= -0.0259 (180deg=-0.252) USER MOD Single : A 72 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 78 SER OG : rot 170:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -5.78! C(o=-5.8!,f=-8.5!) USER MOD Single : A 82 SER OG : rot -44:sc= 0.0389 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= -0.173 (180deg=-0.777) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 0.441 (180deg=0.237) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -54:sc= 0.0758 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.582 -5.301 8.565 1.00 54.44 N ATOM 195 CA ARG A 13 9.396 -4.477 8.763 1.00 12.20 C ATOM 196 C ARG A 13 9.090 -3.655 7.515 1.00 75.31 C ATOM 197 O ARG A 13 7.928 -3.412 7.189 1.00 30.34 O ATOM 198 CB ARG A 13 9.589 -3.549 9.963 1.00 30.44 C ATOM 199 CG ARG A 13 9.111 -4.145 11.278 1.00 61.04 C ATOM 200 CD ARG A 13 9.851 -5.433 11.607 1.00 2.52 C ATOM 201 NE ARG A 13 9.292 -6.101 12.780 1.00 54.14 N ATOM 202 CZ ARG A 13 9.510 -5.700 14.027 1.00 72.35 C ATOM 203 NH1 ARG A 13 10.270 -4.640 14.263 1.00 62.42 N ATOM 204 NH2 ARG A 13 8.966 -6.360 15.041 1.00 24.20 N ATOM 0 HA ARG A 13 8.552 -5.139 8.956 1.00 12.20 H new ATOM 0 HB2 ARG A 13 10.646 -3.298 10.051 1.00 30.44 H new ATOM 0 HB3 ARG A 13 9.054 -2.617 9.781 1.00 30.44 H new ATOM 0 HG2 ARG A 13 9.259 -3.423 12.081 1.00 61.04 H new ATOM 0 HG3 ARG A 13 8.041 -4.343 11.221 1.00 61.04 H new ATOM 0 HD2 ARG A 13 9.806 -6.106 10.751 1.00 2.52 H new ATOM 0 HD3 ARG A 13 10.904 -5.212 11.783 1.00 2.52 H new ATOM 0 HE ARG A 13 8.702 -6.920 12.633 1.00 54.14 H new ATOM 0 HH11 ARG A 13 10.689 -4.130 13.486 1.00 62.42 H new ATOM 0 HH12 ARG A 13 10.436 -4.334 15.222 1.00 62.42 H new ATOM 0 HH21 ARG A 13 8.380 -7.176 14.863 1.00 24.20 H new ATOM 0 HH22 ARG A 13 9.134 -6.052 15.999 1.00 24.20 H new ATOM 218 N SER A 14 10.139 -3.228 6.822 1.00 45.53 N ATOM 219 CA SER A 14 9.983 -2.429 5.611 1.00 5.14 C ATOM 220 C SER A 14 9.375 -3.260 4.486 1.00 74.41 C ATOM 221 O SER A 14 8.449 -2.821 3.806 1.00 34.04 O ATOM 222 CB SER A 14 11.335 -1.864 5.170 1.00 42.24 C ATOM 223 OG SER A 14 11.657 -0.688 5.892 1.00 23.21 O ATOM 0 H SER A 14 11.107 -3.421 7.077 1.00 45.53 H new ATOM 0 HA SER A 14 9.307 -1.603 5.835 1.00 5.14 H new ATOM 0 HB2 SER A 14 12.113 -2.612 5.323 1.00 42.24 H new ATOM 0 HB3 SER A 14 11.310 -1.644 4.103 1.00 42.24 H new ATOM 0 HG SER A 14 12.526 -0.348 5.593 1.00 23.21 H new ATOM 229 N ASN A 15 9.904 -4.465 4.296 1.00 4.33 N ATOM 230 CA ASN A 15 9.415 -5.359 3.253 1.00 34.05 C ATOM 231 C ASN A 15 8.032 -5.900 3.606 1.00 64.41 C ATOM 232 O ASN A 15 7.294 -6.358 2.734 1.00 14.21 O ATOM 233 CB ASN A 15 10.391 -6.518 3.046 1.00 34.44 C ATOM 234 CG ASN A 15 11.545 -6.147 2.135 1.00 14.01 C ATOM 235 OD1 ASN A 15 11.720 -6.732 1.067 1.00 41.02 O ATOM 236 ND2 ASN A 15 12.338 -5.168 2.555 1.00 44.31 N ATOM 0 H ASN A 15 10.671 -4.844 4.851 1.00 4.33 H new ATOM 0 HA ASN A 15 9.338 -4.789 2.327 1.00 34.05 H new ATOM 0 HB2 ASN A 15 10.782 -6.837 4.012 1.00 34.44 H new ATOM 0 HB3 ASN A 15 9.856 -7.368 2.623 1.00 34.44 H new ATOM 0 HD21 ASN A 15 13.130 -4.873 1.984 1.00 44.31 H new ATOM 0 HD22 ASN A 15 12.155 -4.711 3.448 1.00 44.31 H new ATOM 243 N GLN A 16 7.690 -5.844 4.889 1.00 71.10 N ATOM 244 CA GLN A 16 6.397 -6.329 5.356 1.00 31.13 C ATOM 245 C GLN A 16 5.256 -5.582 4.674 1.00 41.42 C ATOM 246 O GLN A 16 4.370 -6.194 4.077 1.00 10.31 O ATOM 247 CB GLN A 16 6.289 -6.173 6.875 1.00 72.13 C ATOM 248 CG GLN A 16 5.023 -6.780 7.460 1.00 42.33 C ATOM 249 CD GLN A 16 5.287 -8.079 8.197 1.00 54.40 C ATOM 250 OE1 GLN A 16 5.311 -9.153 7.597 1.00 50.24 O ATOM 251 NE2 GLN A 16 5.485 -7.985 9.506 1.00 21.22 N ATOM 0 H GLN A 16 8.290 -5.468 5.623 1.00 71.10 H new ATOM 0 HA GLN A 16 6.319 -7.385 5.099 1.00 31.13 H new ATOM 0 HB2 GLN A 16 7.156 -6.640 7.343 1.00 72.13 H new ATOM 0 HB3 GLN A 16 6.324 -5.113 7.127 1.00 72.13 H new ATOM 0 HG2 GLN A 16 4.564 -6.066 8.143 1.00 42.33 H new ATOM 0 HG3 GLN A 16 4.307 -6.960 6.658 1.00 42.33 H new ATOM 0 HE21 GLN A 16 5.456 -7.073 9.962 1.00 21.22 H new ATOM 0 HE22 GLN A 16 5.666 -8.825 10.056 1.00 21.22 H new ATOM 260 N ALA A 17 5.284 -4.257 4.766 1.00 41.42 N ATOM 261 CA ALA A 17 4.254 -3.426 4.156 1.00 31.01 C ATOM 262 C ALA A 17 4.091 -3.753 2.675 1.00 33.21 C ATOM 263 O ALA A 17 2.972 -3.917 2.187 1.00 5.30 O ATOM 264 CB ALA A 17 4.586 -1.953 4.339 1.00 43.51 C ATOM 0 H ALA A 17 6.010 -3.736 5.258 1.00 41.42 H new ATOM 0 HA ALA A 17 3.309 -3.638 4.655 1.00 31.01 H new ATOM 0 HB1 ALA A 17 3.808 -1.345 3.878 1.00 43.51 H new ATOM 0 HB2 ALA A 17 4.644 -1.723 5.403 1.00 43.51 H new ATOM 0 HB3 ALA A 17 5.544 -1.735 3.867 1.00 43.51 H new ATOM 270 N GLU A 18 5.212 -3.846 1.967 1.00 31.35 N ATOM 271 CA GLU A 18 5.191 -4.152 0.542 1.00 73.11 C ATOM 272 C GLU A 18 4.405 -5.432 0.272 1.00 44.15 C ATOM 273 O GLU A 18 3.533 -5.467 -0.595 1.00 1.22 O ATOM 274 CB GLU A 18 6.617 -4.293 0.007 1.00 71.25 C ATOM 275 CG GLU A 18 6.685 -4.831 -1.413 1.00 15.35 C ATOM 276 CD GLU A 18 7.327 -6.202 -1.488 1.00 24.32 C ATOM 277 OE1 GLU A 18 8.330 -6.426 -0.778 1.00 22.32 O ATOM 278 OE2 GLU A 18 6.827 -7.052 -2.255 1.00 15.43 O ATOM 0 H GLU A 18 6.145 -3.714 2.357 1.00 31.35 H new ATOM 0 HA GLU A 18 4.698 -3.328 0.027 1.00 73.11 H new ATOM 0 HB2 GLU A 18 7.107 -3.320 0.041 1.00 71.25 H new ATOM 0 HB3 GLU A 18 7.179 -4.956 0.665 1.00 71.25 H new ATOM 0 HG2 GLU A 18 5.678 -4.883 -1.826 1.00 15.35 H new ATOM 0 HG3 GLU A 18 7.249 -4.135 -2.034 1.00 15.35 H new ATOM 285 N ASN A 19 4.724 -6.484 1.021 1.00 51.20 N ATOM 286 CA ASN A 19 4.050 -7.767 0.862 1.00 32.22 C ATOM 287 C ASN A 19 2.544 -7.621 1.066 1.00 4.54 C ATOM 288 O ASN A 19 1.749 -8.251 0.369 1.00 53.42 O ATOM 289 CB ASN A 19 4.613 -8.789 1.853 1.00 12.21 C ATOM 290 CG ASN A 19 6.059 -9.138 1.563 1.00 40.31 C ATOM 291 OD1 ASN A 19 6.417 -9.459 0.428 1.00 12.04 O ATOM 292 ND2 ASN A 19 6.900 -9.078 2.588 1.00 32.45 N ATOM 0 H ASN A 19 5.444 -6.472 1.743 1.00 51.20 H new ATOM 0 HA ASN A 19 4.229 -8.119 -0.154 1.00 32.22 H new ATOM 0 HB2 ASN A 19 4.534 -8.392 2.865 1.00 12.21 H new ATOM 0 HB3 ASN A 19 4.009 -9.696 1.818 1.00 12.21 H new ATOM 0 HD21 ASN A 19 7.886 -9.302 2.453 1.00 32.45 H new ATOM 0 HD22 ASN A 19 6.561 -8.807 3.511 1.00 32.45 H new ATOM 299 N ILE A 20 2.162 -6.785 2.026 1.00 0.04 N ATOM 300 CA ILE A 20 0.754 -6.553 2.321 1.00 61.52 C ATOM 301 C ILE A 20 0.034 -5.945 1.121 1.00 21.52 C ATOM 302 O ILE A 20 -0.977 -6.475 0.657 1.00 0.44 O ATOM 303 CB ILE A 20 0.578 -5.626 3.536 1.00 12.45 C ATOM 304 CG1 ILE A 20 1.229 -6.242 4.775 1.00 12.22 C ATOM 305 CG2 ILE A 20 -0.899 -5.355 3.787 1.00 2.42 C ATOM 306 CD1 ILE A 20 1.511 -5.239 5.873 1.00 50.21 C ATOM 0 H ILE A 20 2.808 -6.257 2.613 1.00 0.04 H new ATOM 0 HA ILE A 20 0.316 -7.524 2.551 1.00 61.52 H new ATOM 0 HB ILE A 20 1.071 -4.677 3.324 1.00 12.45 H new ATOM 0 HG12 ILE A 20 0.578 -7.024 5.167 1.00 12.22 H new ATOM 0 HG13 ILE A 20 2.163 -6.722 4.484 1.00 12.22 H new ATOM 0 HG21 ILE A 20 -1.007 -4.698 4.650 1.00 2.42 H new ATOM 0 HG22 ILE A 20 -1.335 -4.877 2.910 1.00 2.42 H new ATOM 0 HG23 ILE A 20 -1.414 -6.296 3.981 1.00 2.42 H new ATOM 0 HD11 ILE A 20 1.972 -5.747 6.720 1.00 50.21 H new ATOM 0 HD12 ILE A 20 2.187 -4.470 5.499 1.00 50.21 H new ATOM 0 HD13 ILE A 20 0.577 -4.777 6.192 1.00 50.21 H new ATOM 318 N ILE A 21 0.562 -4.832 0.624 1.00 61.21 N ATOM 319 CA ILE A 21 -0.029 -4.154 -0.523 1.00 14.33 C ATOM 320 C ILE A 21 -0.286 -5.129 -1.666 1.00 61.13 C ATOM 321 O ILE A 21 -1.340 -5.096 -2.302 1.00 51.22 O ATOM 322 CB ILE A 21 0.874 -3.014 -1.028 1.00 12.43 C ATOM 323 CG1 ILE A 21 1.114 -1.992 0.086 1.00 45.44 C ATOM 324 CG2 ILE A 21 0.250 -2.343 -2.244 1.00 21.24 C ATOM 325 CD1 ILE A 21 2.190 -0.980 -0.244 1.00 64.43 C ATOM 0 H ILE A 21 1.397 -4.381 0.997 1.00 61.21 H new ATOM 0 HA ILE A 21 -0.977 -3.734 -0.188 1.00 14.33 H new ATOM 0 HB ILE A 21 1.835 -3.435 -1.322 1.00 12.43 H new ATOM 0 HG12 ILE A 21 0.182 -1.465 0.292 1.00 45.44 H new ATOM 0 HG13 ILE A 21 1.390 -2.520 0.999 1.00 45.44 H new ATOM 0 HG21 ILE A 21 0.900 -1.539 -2.590 1.00 21.24 H new ATOM 0 HG22 ILE A 21 0.125 -3.077 -3.040 1.00 21.24 H new ATOM 0 HG23 ILE A 21 -0.723 -1.932 -1.974 1.00 21.24 H new ATOM 0 HD11 ILE A 21 2.306 -0.288 0.590 1.00 64.43 H new ATOM 0 HD12 ILE A 21 3.133 -1.497 -0.421 1.00 64.43 H new ATOM 0 HD13 ILE A 21 1.906 -0.426 -1.139 1.00 64.43 H new ATOM 337 N THR A 22 0.685 -6.000 -1.923 1.00 44.41 N ATOM 338 CA THR A 22 0.565 -6.986 -2.990 1.00 63.11 C ATOM 339 C THR A 22 -0.647 -7.885 -2.774 1.00 24.11 C ATOM 340 O THR A 22 -1.288 -8.319 -3.730 1.00 30.01 O ATOM 341 CB THR A 22 1.829 -7.862 -3.090 1.00 3.24 C ATOM 342 OG1 THR A 22 2.996 -7.034 -3.138 1.00 2.34 O ATOM 343 CG2 THR A 22 1.777 -8.746 -4.326 1.00 42.13 C ATOM 0 H THR A 22 1.564 -6.043 -1.407 1.00 44.41 H new ATOM 0 HA THR A 22 0.441 -6.432 -3.920 1.00 63.11 H new ATOM 0 HB THR A 22 1.873 -8.500 -2.208 1.00 3.24 H new ATOM 0 HG1 THR A 22 3.189 -6.688 -2.241 1.00 2.34 H new ATOM 0 HG21 THR A 22 2.679 -9.355 -4.376 1.00 42.13 H new ATOM 0 HG22 THR A 22 0.903 -9.395 -4.272 1.00 42.13 H new ATOM 0 HG23 THR A 22 1.711 -8.122 -5.217 1.00 42.13 H new ATOM 351 N ASP A 23 -0.955 -8.160 -1.511 1.00 22.42 N ATOM 352 CA ASP A 23 -2.092 -9.007 -1.169 1.00 60.22 C ATOM 353 C ASP A 23 -3.367 -8.499 -1.833 1.00 41.25 C ATOM 354 O ASP A 23 -3.940 -9.168 -2.695 1.00 0.41 O ATOM 355 CB ASP A 23 -2.278 -9.059 0.348 1.00 71.52 C ATOM 356 CG ASP A 23 -3.228 -10.160 0.778 1.00 42.12 C ATOM 357 OD1 ASP A 23 -4.452 -9.915 0.793 1.00 63.22 O ATOM 358 OD2 ASP A 23 -2.746 -11.267 1.099 1.00 23.51 O ATOM 0 H ASP A 23 -0.434 -7.809 -0.708 1.00 22.42 H new ATOM 0 HA ASP A 23 -1.888 -10.013 -1.537 1.00 60.22 H new ATOM 0 HB2 ASP A 23 -1.310 -9.212 0.825 1.00 71.52 H new ATOM 0 HB3 ASP A 23 -2.657 -8.099 0.698 1.00 71.52 H new ATOM 363 N LEU A 24 -3.807 -7.313 -1.427 1.00 51.41 N ATOM 364 CA LEU A 24 -5.016 -6.715 -1.982 1.00 52.11 C ATOM 365 C LEU A 24 -4.996 -6.761 -3.506 1.00 53.34 C ATOM 366 O LEU A 24 -6.011 -7.052 -4.143 1.00 2.44 O ATOM 367 CB LEU A 24 -5.157 -5.267 -1.507 1.00 70.11 C ATOM 368 CG LEU A 24 -5.543 -5.078 -0.040 1.00 32.35 C ATOM 369 CD1 LEU A 24 -5.676 -3.600 0.291 1.00 11.32 C ATOM 370 CD2 LEU A 24 -6.839 -5.814 0.271 1.00 43.21 C ATOM 0 H LEU A 24 -3.345 -6.747 -0.716 1.00 51.41 H new ATOM 0 HA LEU A 24 -5.871 -7.292 -1.630 1.00 52.11 H new ATOM 0 HB2 LEU A 24 -4.211 -4.754 -1.682 1.00 70.11 H new ATOM 0 HB3 LEU A 24 -5.907 -4.774 -2.126 1.00 70.11 H new ATOM 0 HG LEU A 24 -4.752 -5.499 0.580 1.00 32.35 H new ATOM 0 HD11 LEU A 24 -5.951 -3.485 1.339 1.00 11.32 H new ATOM 0 HD12 LEU A 24 -4.725 -3.099 0.109 1.00 11.32 H new ATOM 0 HD13 LEU A 24 -6.447 -3.154 -0.337 1.00 11.32 H new ATOM 0 HD21 LEU A 24 -7.098 -5.668 1.320 1.00 43.21 H new ATOM 0 HD22 LEU A 24 -7.639 -5.424 -0.358 1.00 43.21 H new ATOM 0 HD23 LEU A 24 -6.709 -6.878 0.074 1.00 43.21 H new ATOM 382 N LEU A 25 -3.836 -6.475 -4.087 1.00 70.22 N ATOM 383 CA LEU A 25 -3.683 -6.487 -5.538 1.00 22.14 C ATOM 384 C LEU A 25 -4.080 -7.842 -6.117 1.00 14.44 C ATOM 385 O LEU A 25 -4.738 -7.915 -7.154 1.00 73.54 O ATOM 386 CB LEU A 25 -2.238 -6.160 -5.921 1.00 35.33 C ATOM 387 CG LEU A 25 -1.963 -4.710 -6.321 1.00 22.12 C ATOM 388 CD1 LEU A 25 -2.596 -4.399 -7.669 1.00 1.25 C ATOM 389 CD2 LEU A 25 -2.477 -3.755 -5.255 1.00 2.03 C ATOM 0 H LEU A 25 -2.988 -6.232 -3.576 1.00 70.22 H new ATOM 0 HA LEU A 25 -4.344 -5.727 -5.954 1.00 22.14 H new ATOM 0 HB2 LEU A 25 -1.594 -6.412 -5.079 1.00 35.33 H new ATOM 0 HB3 LEU A 25 -1.947 -6.806 -6.749 1.00 35.33 H new ATOM 0 HG LEU A 25 -0.885 -4.576 -6.409 1.00 22.12 H new ATOM 0 HD11 LEU A 25 -2.390 -3.363 -7.937 1.00 1.25 H new ATOM 0 HD12 LEU A 25 -2.179 -5.060 -8.428 1.00 1.25 H new ATOM 0 HD13 LEU A 25 -3.674 -4.551 -7.609 1.00 1.25 H new ATOM 0 HD21 LEU A 25 -2.272 -2.728 -5.557 1.00 2.03 H new ATOM 0 HD22 LEU A 25 -3.552 -3.890 -5.133 1.00 2.03 H new ATOM 0 HD23 LEU A 25 -1.976 -3.962 -4.309 1.00 2.03 H new ATOM 401 N ASP A 26 -3.677 -8.910 -5.438 1.00 34.53 N ATOM 402 CA ASP A 26 -3.994 -10.262 -5.882 1.00 2.02 C ATOM 403 C ASP A 26 -5.503 -10.487 -5.906 1.00 44.34 C ATOM 404 O ASP A 26 -6.072 -10.835 -6.941 1.00 43.24 O ATOM 405 CB ASP A 26 -3.327 -11.291 -4.969 1.00 25.42 C ATOM 406 CG ASP A 26 -3.055 -12.604 -5.677 1.00 2.23 C ATOM 407 OD1 ASP A 26 -3.961 -13.464 -5.703 1.00 22.13 O ATOM 408 OD2 ASP A 26 -1.936 -12.771 -6.207 1.00 73.23 O ATOM 0 H ASP A 26 -3.130 -8.866 -4.578 1.00 34.53 H new ATOM 0 HA ASP A 26 -3.611 -10.384 -6.895 1.00 2.02 H new ATOM 0 HB2 ASP A 26 -2.389 -10.884 -4.592 1.00 25.42 H new ATOM 0 HB3 ASP A 26 -3.965 -11.473 -4.105 1.00 25.42 H new ATOM 413 N ASP A 27 -6.143 -10.288 -4.759 1.00 74.24 N ATOM 414 CA ASP A 27 -7.586 -10.470 -4.649 1.00 13.43 C ATOM 415 C ASP A 27 -8.327 -9.526 -5.592 1.00 42.34 C ATOM 416 O ASP A 27 -9.424 -9.834 -6.061 1.00 24.14 O ATOM 417 CB ASP A 27 -8.042 -10.231 -3.208 1.00 12.21 C ATOM 418 CG ASP A 27 -8.010 -11.497 -2.374 1.00 11.31 C ATOM 419 OD1 ASP A 27 -8.806 -12.416 -2.658 1.00 54.12 O ATOM 420 OD2 ASP A 27 -7.188 -11.568 -1.437 1.00 42.45 O ATOM 0 H ASP A 27 -5.686 -10.001 -3.893 1.00 74.24 H new ATOM 0 HA ASP A 27 -7.821 -11.496 -4.932 1.00 13.43 H new ATOM 0 HB2 ASP A 27 -7.401 -9.479 -2.747 1.00 12.21 H new ATOM 0 HB3 ASP A 27 -9.055 -9.828 -3.212 1.00 12.21 H new ATOM 425 N LEU A 28 -7.720 -8.377 -5.867 1.00 53.13 N ATOM 426 CA LEU A 28 -8.322 -7.387 -6.755 1.00 73.52 C ATOM 427 C LEU A 28 -8.308 -7.873 -8.200 1.00 74.13 C ATOM 428 O LEU A 28 -9.226 -7.588 -8.971 1.00 43.22 O ATOM 429 CB LEU A 28 -7.578 -6.056 -6.646 1.00 60.00 C ATOM 430 CG LEU A 28 -8.230 -4.993 -5.760 1.00 50.45 C ATOM 431 CD1 LEU A 28 -7.356 -3.751 -5.685 1.00 64.31 C ATOM 432 CD2 LEU A 28 -9.616 -4.640 -6.284 1.00 44.12 C ATOM 0 H LEU A 28 -6.812 -8.107 -5.489 1.00 53.13 H new ATOM 0 HA LEU A 28 -9.358 -7.243 -6.449 1.00 73.52 H new ATOM 0 HB2 LEU A 28 -6.576 -6.253 -6.265 1.00 60.00 H new ATOM 0 HB3 LEU A 28 -7.463 -5.644 -7.648 1.00 60.00 H new ATOM 0 HG LEU A 28 -8.335 -5.400 -4.754 1.00 50.45 H new ATOM 0 HD11 LEU A 28 -7.836 -3.006 -5.050 1.00 64.31 H new ATOM 0 HD12 LEU A 28 -6.385 -4.014 -5.265 1.00 64.31 H new ATOM 0 HD13 LEU A 28 -7.219 -3.341 -6.686 1.00 64.31 H new ATOM 0 HD21 LEU A 28 -10.066 -3.882 -5.642 1.00 44.12 H new ATOM 0 HD22 LEU A 28 -9.533 -4.253 -7.299 1.00 44.12 H new ATOM 0 HD23 LEU A 28 -10.242 -5.532 -6.286 1.00 44.12 H new ATOM 552 N SER A 36 -8.899 1.379 -11.484 1.00 1.22 N ATOM 553 CA SER A 36 -7.922 2.448 -11.649 1.00 41.52 C ATOM 554 C SER A 36 -7.273 2.803 -10.315 1.00 31.32 C ATOM 555 O SER A 36 -6.160 3.331 -10.273 1.00 74.31 O ATOM 556 CB SER A 36 -8.587 3.687 -12.252 1.00 22.03 C ATOM 557 OG SER A 36 -9.748 4.047 -11.523 1.00 2.14 O ATOM 0 HA SER A 36 -7.145 2.095 -12.327 1.00 41.52 H new ATOM 0 HB2 SER A 36 -7.882 4.518 -12.253 1.00 22.03 H new ATOM 0 HB3 SER A 36 -8.852 3.492 -13.291 1.00 22.03 H new ATOM 0 HG SER A 36 -10.087 3.264 -11.040 1.00 2.14 H new ATOM 563 N LEU A 37 -7.975 2.509 -9.226 1.00 41.32 N ATOM 564 CA LEU A 37 -7.469 2.796 -7.889 1.00 5.33 C ATOM 565 C LEU A 37 -6.134 2.099 -7.650 1.00 62.40 C ATOM 566 O LEU A 37 -5.279 2.602 -6.921 1.00 2.22 O ATOM 567 CB LEU A 37 -8.484 2.356 -6.832 1.00 43.20 C ATOM 568 CG LEU A 37 -8.648 3.286 -5.630 1.00 3.32 C ATOM 569 CD1 LEU A 37 -7.294 3.611 -5.018 1.00 12.22 C ATOM 570 CD2 LEU A 37 -9.372 4.561 -6.037 1.00 40.22 C ATOM 0 H LEU A 37 -8.896 2.072 -9.243 1.00 41.32 H new ATOM 0 HA LEU A 37 -7.315 3.872 -7.810 1.00 5.33 H new ATOM 0 HB2 LEU A 37 -9.455 2.244 -7.314 1.00 43.20 H new ATOM 0 HB3 LEU A 37 -8.194 1.371 -6.467 1.00 43.20 H new ATOM 0 HG LEU A 37 -9.250 2.775 -4.879 1.00 3.32 H new ATOM 0 HD11 LEU A 37 -7.431 4.274 -4.164 1.00 12.22 H new ATOM 0 HD12 LEU A 37 -6.813 2.690 -4.689 1.00 12.22 H new ATOM 0 HD13 LEU A 37 -6.667 4.102 -5.762 1.00 12.22 H new ATOM 0 HD21 LEU A 37 -9.480 5.211 -5.169 1.00 40.22 H new ATOM 0 HD22 LEU A 37 -8.797 5.076 -6.807 1.00 40.22 H new ATOM 0 HD23 LEU A 37 -10.358 4.310 -6.427 1.00 40.22 H new ATOM 582 N LYS A 38 -5.960 0.938 -8.271 1.00 21.52 N ATOM 583 CA LYS A 38 -4.728 0.170 -8.131 1.00 3.53 C ATOM 584 C LYS A 38 -3.508 1.045 -8.406 1.00 75.44 C ATOM 585 O LYS A 38 -2.418 0.786 -7.897 1.00 45.25 O ATOM 586 CB LYS A 38 -4.736 -1.027 -9.084 1.00 24.45 C ATOM 587 CG LYS A 38 -5.868 -2.005 -8.822 1.00 33.04 C ATOM 588 CD LYS A 38 -6.357 -2.649 -10.108 1.00 21.34 C ATOM 589 CE LYS A 38 -7.194 -3.887 -9.827 1.00 72.25 C ATOM 590 NZ LYS A 38 -8.194 -4.136 -10.903 1.00 34.43 N ATOM 0 H LYS A 38 -6.658 0.507 -8.877 1.00 21.52 H new ATOM 0 HA LYS A 38 -4.670 -0.192 -7.105 1.00 3.53 H new ATOM 0 HB2 LYS A 38 -4.810 -0.664 -10.109 1.00 24.45 H new ATOM 0 HB3 LYS A 38 -3.785 -1.554 -9.001 1.00 24.45 H new ATOM 0 HG2 LYS A 38 -5.530 -2.778 -8.133 1.00 33.04 H new ATOM 0 HG3 LYS A 38 -6.694 -1.485 -8.337 1.00 33.04 H new ATOM 0 HD2 LYS A 38 -6.948 -1.930 -10.675 1.00 21.34 H new ATOM 0 HD3 LYS A 38 -5.503 -2.919 -10.729 1.00 21.34 H new ATOM 0 HE2 LYS A 38 -6.540 -4.754 -9.731 1.00 72.25 H new ATOM 0 HE3 LYS A 38 -7.708 -3.769 -8.873 1.00 72.25 H new ATOM 0 HZ1 LYS A 38 -8.745 -4.988 -10.675 1.00 34.43 H new ATOM 0 HZ2 LYS A 38 -8.834 -3.320 -10.978 1.00 34.43 H new ATOM 0 HZ3 LYS A 38 -7.702 -4.274 -11.809 1.00 34.43 H new ATOM 604 N LYS A 39 -3.700 2.082 -9.214 1.00 35.01 N ATOM 605 CA LYS A 39 -2.618 2.997 -9.556 1.00 11.10 C ATOM 606 C LYS A 39 -1.937 3.528 -8.299 1.00 4.31 C ATOM 607 O LYS A 39 -0.722 3.730 -8.276 1.00 73.44 O ATOM 608 CB LYS A 39 -3.152 4.163 -10.390 1.00 53.31 C ATOM 609 CG LYS A 39 -3.900 5.203 -9.574 1.00 31.24 C ATOM 610 CD LYS A 39 -4.351 6.370 -10.436 1.00 3.24 C ATOM 611 CE LYS A 39 -5.658 6.064 -11.150 1.00 14.02 C ATOM 612 NZ LYS A 39 -6.814 6.054 -10.211 1.00 1.11 N ATOM 0 H LYS A 39 -4.596 2.310 -9.645 1.00 35.01 H new ATOM 0 HA LYS A 39 -1.882 2.446 -10.142 1.00 11.10 H new ATOM 0 HB2 LYS A 39 -2.318 4.645 -10.901 1.00 53.31 H new ATOM 0 HB3 LYS A 39 -3.816 3.773 -11.162 1.00 53.31 H new ATOM 0 HG2 LYS A 39 -4.768 4.741 -9.102 1.00 31.24 H new ATOM 0 HG3 LYS A 39 -3.258 5.568 -8.772 1.00 31.24 H new ATOM 0 HD2 LYS A 39 -4.474 7.257 -9.814 1.00 3.24 H new ATOM 0 HD3 LYS A 39 -3.579 6.600 -11.171 1.00 3.24 H new ATOM 0 HE2 LYS A 39 -5.829 6.807 -11.929 1.00 14.02 H new ATOM 0 HE3 LYS A 39 -5.584 5.096 -11.645 1.00 14.02 H new ATOM 0 HZ1 LYS A 39 -7.697 6.182 -10.746 1.00 1.11 H new ATOM 0 HZ2 LYS A 39 -6.843 5.145 -9.706 1.00 1.11 H new ATOM 0 HZ3 LYS A 39 -6.710 6.828 -9.524 1.00 1.11 H new ATOM 626 N VAL A 40 -2.727 3.751 -7.252 1.00 45.23 N ATOM 627 CA VAL A 40 -2.199 4.256 -5.990 1.00 52.40 C ATOM 628 C VAL A 40 -1.319 3.215 -5.307 1.00 40.34 C ATOM 629 O VAL A 40 -0.107 3.395 -5.185 1.00 12.20 O ATOM 630 CB VAL A 40 -3.333 4.664 -5.031 1.00 42.42 C ATOM 631 CG1 VAL A 40 -2.794 4.873 -3.624 1.00 65.43 C ATOM 632 CG2 VAL A 40 -4.031 5.918 -5.535 1.00 32.32 C ATOM 0 H VAL A 40 -3.734 3.590 -7.253 1.00 45.23 H new ATOM 0 HA VAL A 40 -1.599 5.135 -6.226 1.00 52.40 H new ATOM 0 HB VAL A 40 -4.065 3.857 -4.997 1.00 42.42 H new ATOM 0 HG11 VAL A 40 -3.610 5.161 -2.961 1.00 65.43 H new ATOM 0 HG12 VAL A 40 -2.344 3.947 -3.265 1.00 65.43 H new ATOM 0 HG13 VAL A 40 -2.041 5.661 -3.636 1.00 65.43 H new ATOM 0 HG21 VAL A 40 -4.829 6.192 -4.845 1.00 32.32 H new ATOM 0 HG22 VAL A 40 -3.311 6.734 -5.600 1.00 32.32 H new ATOM 0 HG23 VAL A 40 -4.453 5.728 -6.522 1.00 32.32 H new ATOM 642 N LEU A 41 -1.937 2.127 -4.863 1.00 50.11 N ATOM 643 CA LEU A 41 -1.210 1.055 -4.191 1.00 52.05 C ATOM 644 C LEU A 41 -0.015 0.602 -5.024 1.00 74.44 C ATOM 645 O LEU A 41 1.094 0.466 -4.511 1.00 3.31 O ATOM 646 CB LEU A 41 -2.140 -0.130 -3.926 1.00 34.34 C ATOM 647 CG LEU A 41 -3.352 0.153 -3.038 1.00 12.22 C ATOM 648 CD1 LEU A 41 -4.586 -0.551 -3.578 1.00 73.45 C ATOM 649 CD2 LEU A 41 -3.075 -0.277 -1.604 1.00 60.04 C ATOM 0 H LEU A 41 -2.939 1.963 -4.956 1.00 50.11 H new ATOM 0 HA LEU A 41 -0.842 1.440 -3.240 1.00 52.05 H new ATOM 0 HB2 LEU A 41 -2.497 -0.507 -4.884 1.00 34.34 H new ATOM 0 HB3 LEU A 41 -1.557 -0.928 -3.467 1.00 34.34 H new ATOM 0 HG LEU A 41 -3.540 1.227 -3.045 1.00 12.22 H new ATOM 0 HD11 LEU A 41 -5.438 -0.338 -2.933 1.00 73.45 H new ATOM 0 HD12 LEU A 41 -4.796 -0.195 -4.586 1.00 73.45 H new ATOM 0 HD13 LEU A 41 -4.410 -1.626 -3.603 1.00 73.45 H new ATOM 0 HD21 LEU A 41 -3.948 -0.068 -0.986 1.00 60.04 H new ATOM 0 HD22 LEU A 41 -2.860 -1.345 -1.580 1.00 60.04 H new ATOM 0 HD23 LEU A 41 -2.217 0.274 -1.218 1.00 60.04 H new ATOM 661 N GLU A 42 -0.251 0.373 -6.312 1.00 64.44 N ATOM 662 CA GLU A 42 0.807 -0.064 -7.216 1.00 2.30 C ATOM 663 C GLU A 42 1.961 0.935 -7.226 1.00 33.44 C ATOM 664 O GLU A 42 3.090 0.598 -6.874 1.00 53.03 O ATOM 665 CB GLU A 42 0.258 -0.240 -8.633 1.00 14.54 C ATOM 666 CG GLU A 42 -0.588 -1.490 -8.808 1.00 10.13 C ATOM 667 CD GLU A 42 -0.423 -2.119 -10.178 1.00 10.41 C ATOM 668 OE1 GLU A 42 -0.332 -1.365 -11.169 1.00 2.12 O ATOM 669 OE2 GLU A 42 -0.384 -3.365 -10.258 1.00 55.54 O ATOM 0 H GLU A 42 -1.164 0.483 -6.753 1.00 64.44 H new ATOM 0 HA GLU A 42 1.182 -1.023 -6.858 1.00 2.30 H new ATOM 0 HB2 GLU A 42 -0.341 0.633 -8.892 1.00 14.54 H new ATOM 0 HB3 GLU A 42 1.091 -0.275 -9.335 1.00 14.54 H new ATOM 0 HG2 GLU A 42 -0.317 -2.218 -8.043 1.00 10.13 H new ATOM 0 HG3 GLU A 42 -1.637 -1.239 -8.652 1.00 10.13 H new ATOM 676 N ASN A 43 1.665 2.166 -7.631 1.00 0.01 N ATOM 677 CA ASN A 43 2.677 3.215 -7.688 1.00 24.30 C ATOM 678 C ASN A 43 3.448 3.299 -6.374 1.00 74.20 C ATOM 679 O ASN A 43 4.660 3.086 -6.339 1.00 24.23 O ATOM 680 CB ASN A 43 2.026 4.565 -7.998 1.00 65.22 C ATOM 681 CG ASN A 43 3.047 5.641 -8.310 1.00 41.52 C ATOM 682 OD1 ASN A 43 4.039 5.797 -7.598 1.00 3.03 O ATOM 683 ND2 ASN A 43 2.809 6.390 -9.382 1.00 3.05 N ATOM 0 H ASN A 43 0.734 2.461 -7.924 1.00 0.01 H new ATOM 0 HA ASN A 43 3.378 2.966 -8.485 1.00 24.30 H new ATOM 0 HB2 ASN A 43 1.350 4.453 -8.845 1.00 65.22 H new ATOM 0 HB3 ASN A 43 1.421 4.878 -7.147 1.00 65.22 H new ATOM 0 HD21 ASN A 43 3.462 7.129 -9.643 1.00 3.05 H new ATOM 0 HD22 ASN A 43 1.974 6.226 -9.944 1.00 3.05 H new ATOM 690 N TYR A 44 2.736 3.612 -5.297 1.00 3.12 N ATOM 691 CA TYR A 44 3.353 3.726 -3.980 1.00 13.41 C ATOM 692 C TYR A 44 4.179 2.486 -3.656 1.00 62.13 C ATOM 693 O TYR A 44 5.313 2.585 -3.184 1.00 33.52 O ATOM 694 CB TYR A 44 2.282 3.935 -2.909 1.00 33.35 C ATOM 695 CG TYR A 44 1.815 5.367 -2.790 1.00 11.52 C ATOM 696 CD1 TYR A 44 2.713 6.390 -2.509 1.00 42.21 C ATOM 697 CD2 TYR A 44 0.476 5.699 -2.956 1.00 70.14 C ATOM 698 CE1 TYR A 44 2.291 7.701 -2.399 1.00 24.24 C ATOM 699 CE2 TYR A 44 0.045 7.007 -2.849 1.00 43.42 C ATOM 700 CZ TYR A 44 0.957 8.004 -2.570 1.00 50.32 C ATOM 701 OH TYR A 44 0.531 9.309 -2.461 1.00 71.14 O ATOM 0 H TYR A 44 1.732 3.791 -5.310 1.00 3.12 H new ATOM 0 HA TYR A 44 4.018 4.589 -3.992 1.00 13.41 H new ATOM 0 HB2 TYR A 44 1.425 3.300 -3.135 1.00 33.35 H new ATOM 0 HB3 TYR A 44 2.675 3.609 -1.946 1.00 33.35 H new ATOM 0 HD1 TYR A 44 3.759 6.156 -2.374 1.00 42.21 H new ATOM 0 HD2 TYR A 44 -0.241 4.920 -3.173 1.00 70.14 H new ATOM 0 HE1 TYR A 44 3.002 8.484 -2.180 1.00 24.24 H new ATOM 0 HE2 TYR A 44 -0.999 7.248 -2.983 1.00 43.42 H new ATOM 0 HH TYR A 44 -0.364 9.395 -2.852 1.00 71.14 H new ATOM 711 N LEU A 45 3.604 1.316 -3.913 1.00 54.40 N ATOM 712 CA LEU A 45 4.285 0.054 -3.650 1.00 21.54 C ATOM 713 C LEU A 45 5.657 0.026 -4.313 1.00 41.54 C ATOM 714 O LEU A 45 6.628 -0.460 -3.734 1.00 74.43 O ATOM 715 CB LEU A 45 3.440 -1.119 -4.151 1.00 2.41 C ATOM 716 CG LEU A 45 4.088 -2.501 -4.057 1.00 31.42 C ATOM 717 CD1 LEU A 45 4.132 -2.973 -2.612 1.00 20.05 C ATOM 718 CD2 LEU A 45 3.337 -3.502 -4.924 1.00 54.03 C ATOM 0 H LEU A 45 2.667 1.216 -4.304 1.00 54.40 H new ATOM 0 HA LEU A 45 4.421 -0.038 -2.572 1.00 21.54 H new ATOM 0 HB2 LEU A 45 2.508 -1.137 -3.586 1.00 2.41 H new ATOM 0 HB3 LEU A 45 3.177 -0.933 -5.192 1.00 2.41 H new ATOM 0 HG LEU A 45 5.111 -2.427 -4.425 1.00 31.42 H new ATOM 0 HD11 LEU A 45 4.596 -3.958 -2.565 1.00 20.05 H new ATOM 0 HD12 LEU A 45 4.713 -2.269 -2.017 1.00 20.05 H new ATOM 0 HD13 LEU A 45 3.118 -3.031 -2.217 1.00 20.05 H new ATOM 0 HD21 LEU A 45 3.812 -4.480 -4.845 1.00 54.03 H new ATOM 0 HD22 LEU A 45 2.303 -3.572 -4.586 1.00 54.03 H new ATOM 0 HD23 LEU A 45 3.358 -3.171 -5.962 1.00 54.03 H new ATOM 730 N GLU A 46 5.731 0.555 -5.531 1.00 73.20 N ATOM 731 CA GLU A 46 6.985 0.592 -6.273 1.00 1.22 C ATOM 732 C GLU A 46 8.002 1.493 -5.578 1.00 11.54 C ATOM 733 O GLU A 46 9.202 1.220 -5.594 1.00 40.32 O ATOM 734 CB GLU A 46 6.744 1.085 -7.702 1.00 23.25 C ATOM 735 CG GLU A 46 7.304 0.158 -8.768 1.00 24.20 C ATOM 736 CD GLU A 46 7.542 0.864 -10.089 1.00 33.05 C ATOM 737 OE1 GLU A 46 6.558 1.339 -10.693 1.00 71.04 O ATOM 738 OE2 GLU A 46 8.713 0.942 -10.516 1.00 74.41 O ATOM 0 H GLU A 46 4.937 0.964 -6.024 1.00 73.20 H new ATOM 0 HA GLU A 46 7.386 -0.421 -6.308 1.00 1.22 H new ATOM 0 HB2 GLU A 46 5.672 1.202 -7.861 1.00 23.25 H new ATOM 0 HB3 GLU A 46 7.193 2.071 -7.818 1.00 23.25 H new ATOM 0 HG2 GLU A 46 8.242 -0.270 -8.415 1.00 24.20 H new ATOM 0 HG3 GLU A 46 6.613 -0.671 -8.923 1.00 24.20 H new ATOM 745 N GLU A 47 7.512 2.568 -4.968 1.00 71.21 N ATOM 746 CA GLU A 47 8.378 3.510 -4.268 1.00 21.24 C ATOM 747 C GLU A 47 9.220 2.795 -3.215 1.00 64.25 C ATOM 748 O GLU A 47 10.402 3.096 -3.041 1.00 21.45 O ATOM 749 CB GLU A 47 7.545 4.610 -3.609 1.00 22.44 C ATOM 750 CG GLU A 47 6.630 5.342 -4.575 1.00 14.12 C ATOM 751 CD GLU A 47 7.347 6.433 -5.345 1.00 1.45 C ATOM 752 OE1 GLU A 47 8.192 7.128 -4.742 1.00 45.42 O ATOM 753 OE2 GLU A 47 7.063 6.593 -6.551 1.00 3.41 O ATOM 0 H GLU A 47 6.521 2.808 -4.944 1.00 71.21 H new ATOM 0 HA GLU A 47 9.048 3.961 -5.000 1.00 21.24 H new ATOM 0 HB2 GLU A 47 6.943 4.171 -2.814 1.00 22.44 H new ATOM 0 HB3 GLU A 47 8.216 5.330 -3.140 1.00 22.44 H new ATOM 0 HG2 GLU A 47 6.203 4.627 -5.278 1.00 14.12 H new ATOM 0 HG3 GLU A 47 5.799 5.779 -4.022 1.00 14.12 H new ATOM 760 N LEU A 48 8.605 1.847 -2.517 1.00 42.22 N ATOM 761 CA LEU A 48 9.297 1.089 -1.481 1.00 61.52 C ATOM 762 C LEU A 48 10.585 0.476 -2.023 1.00 31.14 C ATOM 763 O LEU A 48 11.620 0.488 -1.355 1.00 72.54 O ATOM 764 CB LEU A 48 8.387 -0.012 -0.934 1.00 22.45 C ATOM 765 CG LEU A 48 7.212 0.455 -0.074 1.00 2.10 C ATOM 766 CD1 LEU A 48 5.931 -0.251 -0.490 1.00 40.35 C ATOM 767 CD2 LEU A 48 7.500 0.213 1.401 1.00 72.15 C ATOM 0 H LEU A 48 7.628 1.585 -2.650 1.00 42.22 H new ATOM 0 HA LEU A 48 9.554 1.775 -0.674 1.00 61.52 H new ATOM 0 HB2 LEU A 48 7.992 -0.581 -1.776 1.00 22.45 H new ATOM 0 HB3 LEU A 48 8.994 -0.698 -0.343 1.00 22.45 H new ATOM 0 HG LEU A 48 7.079 1.526 -0.227 1.00 2.10 H new ATOM 0 HD11 LEU A 48 5.106 0.094 0.133 1.00 40.35 H new ATOM 0 HD12 LEU A 48 5.715 -0.027 -1.535 1.00 40.35 H new ATOM 0 HD13 LEU A 48 6.052 -1.327 -0.367 1.00 40.35 H new ATOM 0 HD21 LEU A 48 6.653 0.552 1.997 1.00 72.15 H new ATOM 0 HD22 LEU A 48 7.661 -0.852 1.570 1.00 72.15 H new ATOM 0 HD23 LEU A 48 8.393 0.766 1.693 1.00 72.15 H new ATOM 779 N LYS A 49 10.515 -0.056 -3.238 1.00 31.42 N ATOM 780 CA LYS A 49 11.675 -0.671 -3.873 1.00 1.24 C ATOM 781 C LYS A 49 12.695 0.387 -4.282 1.00 71.21 C ATOM 782 O LYS A 49 13.902 0.164 -4.195 1.00 41.14 O ATOM 783 CB LYS A 49 11.244 -1.480 -5.098 1.00 15.55 C ATOM 784 CG LYS A 49 10.358 -2.668 -4.762 1.00 4.42 C ATOM 785 CD LYS A 49 8.895 -2.267 -4.683 1.00 25.44 C ATOM 786 CE LYS A 49 7.996 -3.313 -5.324 1.00 51.41 C ATOM 787 NZ LYS A 49 8.259 -4.676 -4.787 1.00 71.44 N ATOM 0 H LYS A 49 9.666 -0.074 -3.804 1.00 31.42 H new ATOM 0 HA LYS A 49 12.141 -1.340 -3.150 1.00 1.24 H new ATOM 0 HB2 LYS A 49 10.712 -0.824 -5.787 1.00 15.55 H new ATOM 0 HB3 LYS A 49 12.133 -1.836 -5.619 1.00 15.55 H new ATOM 0 HG2 LYS A 49 10.484 -3.442 -5.519 1.00 4.42 H new ATOM 0 HG3 LYS A 49 10.670 -3.098 -3.811 1.00 4.42 H new ATOM 0 HD2 LYS A 49 8.610 -2.130 -3.640 1.00 25.44 H new ATOM 0 HD3 LYS A 49 8.752 -1.308 -5.181 1.00 25.44 H new ATOM 0 HE2 LYS A 49 6.952 -3.050 -5.151 1.00 51.41 H new ATOM 0 HE3 LYS A 49 8.150 -3.312 -6.403 1.00 51.41 H new ATOM 0 HZ1 LYS A 49 7.432 -5.283 -4.959 1.00 71.44 H new ATOM 0 HZ2 LYS A 49 9.091 -5.082 -5.262 1.00 71.44 H new ATOM 0 HZ3 LYS A 49 8.438 -4.618 -3.764 1.00 71.44 H new ATOM 801 N GLN A 50 12.201 1.538 -4.726 1.00 53.22 N ATOM 802 CA GLN A 50 13.071 2.630 -5.148 1.00 32.22 C ATOM 803 C GLN A 50 13.631 3.376 -3.942 1.00 53.14 C ATOM 804 O GLN A 50 13.165 3.198 -2.817 1.00 3.35 O ATOM 805 CB GLN A 50 12.307 3.598 -6.053 1.00 1.23 C ATOM 806 CG GLN A 50 11.534 2.910 -7.166 1.00 50.22 C ATOM 807 CD GLN A 50 11.357 3.793 -8.385 1.00 34.23 C ATOM 808 OE1 GLN A 50 12.104 4.751 -8.587 1.00 70.01 O ATOM 809 NE2 GLN A 50 10.363 3.475 -9.207 1.00 51.13 N ATOM 0 H GLN A 50 11.204 1.739 -4.803 1.00 53.22 H new ATOM 0 HA GLN A 50 13.904 2.203 -5.707 1.00 32.22 H new ATOM 0 HB2 GLN A 50 11.613 4.179 -5.446 1.00 1.23 H new ATOM 0 HB3 GLN A 50 13.012 4.303 -6.494 1.00 1.23 H new ATOM 0 HG2 GLN A 50 12.056 1.998 -7.455 1.00 50.22 H new ATOM 0 HG3 GLN A 50 10.554 2.612 -6.792 1.00 50.22 H new ATOM 0 HE21 GLN A 50 9.768 2.673 -9.001 1.00 51.13 H new ATOM 0 HE22 GLN A 50 10.195 4.033 -10.044 1.00 51.13 H new ATOM 818 N LYS A 51 14.635 4.213 -4.184 1.00 71.24 N ATOM 819 CA LYS A 51 15.259 4.988 -3.119 1.00 53.40 C ATOM 820 C LYS A 51 14.794 6.441 -3.158 1.00 62.32 C ATOM 821 O LYS A 51 15.357 7.301 -2.482 1.00 4.13 O ATOM 822 CB LYS A 51 16.783 4.927 -3.242 1.00 22.42 C ATOM 823 CG LYS A 51 17.315 5.535 -4.527 1.00 61.12 C ATOM 824 CD LYS A 51 18.678 4.968 -4.891 1.00 32.55 C ATOM 825 CE LYS A 51 19.783 5.597 -4.057 1.00 24.53 C ATOM 826 NZ LYS A 51 19.981 7.034 -4.390 1.00 0.22 N ATOM 0 H LYS A 51 15.034 4.371 -5.109 1.00 71.24 H new ATOM 0 HA LYS A 51 14.959 4.554 -2.165 1.00 53.40 H new ATOM 0 HB2 LYS A 51 17.228 5.446 -2.393 1.00 22.42 H new ATOM 0 HB3 LYS A 51 17.102 3.886 -3.183 1.00 22.42 H new ATOM 0 HG2 LYS A 51 16.613 5.345 -5.338 1.00 61.12 H new ATOM 0 HG3 LYS A 51 17.388 6.617 -4.416 1.00 61.12 H new ATOM 0 HD2 LYS A 51 18.676 3.888 -4.740 1.00 32.55 H new ATOM 0 HD3 LYS A 51 18.875 5.142 -5.949 1.00 32.55 H new ATOM 0 HE2 LYS A 51 19.539 5.500 -2.999 1.00 24.53 H new ATOM 0 HE3 LYS A 51 20.714 5.055 -4.221 1.00 24.53 H new ATOM 0 HZ1 LYS A 51 20.924 7.337 -4.074 1.00 0.22 H new ATOM 0 HZ2 LYS A 51 19.902 7.166 -5.419 1.00 0.22 H new ATOM 0 HZ3 LYS A 51 19.256 7.605 -3.911 1.00 0.22 H new ATOM 840 N SER A 52 13.762 6.705 -3.953 1.00 32.41 N ATOM 841 CA SER A 52 13.222 8.053 -4.081 1.00 42.50 C ATOM 842 C SER A 52 12.214 8.344 -2.974 1.00 31.54 C ATOM 843 O SER A 52 11.634 9.427 -2.916 1.00 34.41 O ATOM 844 CB SER A 52 12.561 8.233 -5.449 1.00 25.24 C ATOM 845 OG SER A 52 13.527 8.238 -6.486 1.00 41.20 O ATOM 0 H SER A 52 13.283 6.003 -4.518 1.00 32.41 H new ATOM 0 HA SER A 52 14.048 8.758 -3.989 1.00 42.50 H new ATOM 0 HB2 SER A 52 11.845 7.429 -5.619 1.00 25.24 H new ATOM 0 HB3 SER A 52 12.001 9.168 -5.465 1.00 25.24 H new ATOM 0 HG SER A 52 13.079 8.353 -7.350 1.00 41.20 H new ATOM 851 N ALA A 53 12.010 7.365 -2.098 1.00 3.14 N ATOM 852 CA ALA A 53 11.073 7.514 -0.990 1.00 12.32 C ATOM 853 C ALA A 53 11.292 6.434 0.063 1.00 32.41 C ATOM 854 O ALA A 53 11.453 5.258 -0.264 1.00 12.04 O ATOM 855 CB ALA A 53 9.640 7.473 -1.502 1.00 4.31 C ATOM 0 H ALA A 53 12.481 6.461 -2.134 1.00 3.14 H new ATOM 0 HA ALA A 53 11.252 8.482 -0.522 1.00 12.32 H new ATOM 0 HB1 ALA A 53 8.951 7.585 -0.665 1.00 4.31 H new ATOM 0 HB2 ALA A 53 9.484 8.285 -2.212 1.00 4.31 H new ATOM 0 HB3 ALA A 53 9.457 6.519 -1.997 1.00 4.31 H new ATOM 861 N SER A 54 11.298 6.841 1.329 1.00 33.25 N ATOM 862 CA SER A 54 11.502 5.907 2.431 1.00 12.13 C ATOM 863 C SER A 54 10.242 5.086 2.687 1.00 53.40 C ATOM 864 O SER A 54 9.137 5.496 2.331 1.00 20.44 O ATOM 865 CB SER A 54 11.898 6.664 3.700 1.00 3.11 C ATOM 866 OG SER A 54 12.985 6.030 4.353 1.00 33.22 O ATOM 0 H SER A 54 11.164 7.810 1.617 1.00 33.25 H new ATOM 0 HA SER A 54 12.308 5.227 2.155 1.00 12.13 H new ATOM 0 HB2 SER A 54 12.169 7.689 3.446 1.00 3.11 H new ATOM 0 HB3 SER A 54 11.045 6.718 4.376 1.00 3.11 H new ATOM 0 HG SER A 54 13.221 6.534 5.160 1.00 33.22 H new ATOM 872 N VAL A 55 10.417 3.924 3.308 1.00 53.01 N ATOM 873 CA VAL A 55 9.295 3.044 3.613 1.00 2.12 C ATOM 874 C VAL A 55 8.183 3.800 4.330 1.00 32.32 C ATOM 875 O VAL A 55 7.039 3.847 3.878 1.00 54.22 O ATOM 876 CB VAL A 55 9.737 1.854 4.487 1.00 40.31 C ATOM 877 CG1 VAL A 55 8.601 1.405 5.392 1.00 33.24 C ATOM 878 CG2 VAL A 55 10.221 0.705 3.615 1.00 23.11 C ATOM 0 H VAL A 55 11.325 3.570 3.610 1.00 53.01 H new ATOM 0 HA VAL A 55 8.920 2.668 2.661 1.00 2.12 H new ATOM 0 HB VAL A 55 10.566 2.176 5.118 1.00 40.31 H new ATOM 0 HG11 VAL A 55 8.932 0.564 6.001 1.00 33.24 H new ATOM 0 HG12 VAL A 55 8.305 2.229 6.041 1.00 33.24 H new ATOM 0 HG13 VAL A 55 7.750 1.099 4.783 1.00 33.24 H new ATOM 0 HG21 VAL A 55 10.529 -0.127 4.248 1.00 23.11 H new ATOM 0 HG22 VAL A 55 9.414 0.382 2.958 1.00 23.11 H new ATOM 0 HG23 VAL A 55 11.067 1.036 3.013 1.00 23.11 H new ATOM 888 N PRO A 56 8.524 4.408 5.477 1.00 54.31 N ATOM 889 CA PRO A 56 7.568 5.175 6.280 1.00 20.43 C ATOM 890 C PRO A 56 7.151 6.475 5.602 1.00 73.44 C ATOM 891 O PRO A 56 6.152 7.091 5.977 1.00 45.53 O ATOM 892 CB PRO A 56 8.342 5.469 7.568 1.00 43.22 C ATOM 893 CG PRO A 56 9.776 5.425 7.166 1.00 73.23 C ATOM 894 CD PRO A 56 9.868 4.393 6.075 1.00 2.44 C ATOM 0 HA PRO A 56 6.639 4.627 6.439 1.00 20.43 H new ATOM 0 HB2 PRO A 56 8.075 6.444 7.977 1.00 43.22 H new ATOM 0 HB3 PRO A 56 8.124 4.730 8.339 1.00 43.22 H new ATOM 0 HG2 PRO A 56 10.112 6.399 6.811 1.00 73.23 H new ATOM 0 HG3 PRO A 56 10.410 5.157 8.011 1.00 73.23 H new ATOM 0 HD2 PRO A 56 10.636 4.648 5.344 1.00 2.44 H new ATOM 0 HD3 PRO A 56 10.120 3.410 6.472 1.00 2.44 H new ATOM 902 N LEU A 57 7.920 6.886 4.600 1.00 12.51 N ATOM 903 CA LEU A 57 7.629 8.114 3.867 1.00 0.21 C ATOM 904 C LEU A 57 6.576 7.870 2.791 1.00 31.32 C ATOM 905 O LEU A 57 5.861 8.789 2.388 1.00 5.41 O ATOM 906 CB LEU A 57 8.906 8.665 3.229 1.00 2.03 C ATOM 907 CG LEU A 57 9.639 9.747 4.024 1.00 42.33 C ATOM 908 CD1 LEU A 57 8.818 11.026 4.068 1.00 42.23 C ATOM 909 CD2 LEU A 57 9.946 9.260 5.433 1.00 75.51 C ATOM 0 H LEU A 57 8.749 6.388 4.276 1.00 12.51 H new ATOM 0 HA LEU A 57 7.237 8.845 4.574 1.00 0.21 H new ATOM 0 HB2 LEU A 57 9.593 7.835 3.063 1.00 2.03 H new ATOM 0 HB3 LEU A 57 8.653 9.070 2.249 1.00 2.03 H new ATOM 0 HG LEU A 57 10.582 9.962 3.522 1.00 42.33 H new ATOM 0 HD11 LEU A 57 9.356 11.784 4.638 1.00 42.23 H new ATOM 0 HD12 LEU A 57 8.651 11.386 3.053 1.00 42.23 H new ATOM 0 HD13 LEU A 57 7.858 10.826 4.545 1.00 42.23 H new ATOM 0 HD21 LEU A 57 10.468 10.043 5.983 1.00 75.51 H new ATOM 0 HD22 LEU A 57 9.015 9.016 5.944 1.00 75.51 H new ATOM 0 HD23 LEU A 57 10.576 8.372 5.382 1.00 75.51 H new ATOM 921 N ILE A 58 6.483 6.626 2.333 1.00 34.01 N ATOM 922 CA ILE A 58 5.514 6.262 1.307 1.00 62.22 C ATOM 923 C ILE A 58 4.182 5.853 1.928 1.00 43.21 C ATOM 924 O ILE A 58 3.117 6.264 1.466 1.00 24.41 O ATOM 925 CB ILE A 58 6.032 5.108 0.427 1.00 24.03 C ATOM 926 CG1 ILE A 58 7.339 5.509 -0.258 1.00 65.14 C ATOM 927 CG2 ILE A 58 4.985 4.716 -0.603 1.00 53.24 C ATOM 928 CD1 ILE A 58 8.273 4.344 -0.507 1.00 2.23 C ATOM 0 H ILE A 58 7.066 5.854 2.656 1.00 34.01 H new ATOM 0 HA ILE A 58 5.367 7.145 0.685 1.00 62.22 H new ATOM 0 HB ILE A 58 6.227 4.244 1.063 1.00 24.03 H new ATOM 0 HG12 ILE A 58 7.109 5.989 -1.209 1.00 65.14 H new ATOM 0 HG13 ILE A 58 7.850 6.249 0.358 1.00 65.14 H new ATOM 0 HG21 ILE A 58 5.366 3.900 -1.217 1.00 53.24 H new ATOM 0 HG22 ILE A 58 4.077 4.394 -0.094 1.00 53.24 H new ATOM 0 HG23 ILE A 58 4.761 5.573 -1.238 1.00 53.24 H new ATOM 0 HD11 ILE A 58 9.179 4.702 -0.995 1.00 2.23 H new ATOM 0 HD12 ILE A 58 8.533 3.877 0.443 1.00 2.23 H new ATOM 0 HD13 ILE A 58 7.780 3.613 -1.148 1.00 2.23 H new ATOM 940 N LEU A 59 4.250 5.044 2.980 1.00 13.40 N ATOM 941 CA LEU A 59 3.050 4.582 3.668 1.00 62.12 C ATOM 942 C LEU A 59 2.225 5.760 4.177 1.00 23.45 C ATOM 943 O LEU A 59 0.997 5.700 4.215 1.00 34.31 O ATOM 944 CB LEU A 59 3.427 3.667 4.835 1.00 71.34 C ATOM 945 CG LEU A 59 4.002 2.301 4.457 1.00 32.25 C ATOM 946 CD1 LEU A 59 4.598 1.617 5.678 1.00 62.22 C ATOM 947 CD2 LEU A 59 2.928 1.427 3.825 1.00 22.31 C ATOM 0 H LEU A 59 5.123 4.695 3.375 1.00 13.40 H new ATOM 0 HA LEU A 59 2.446 4.021 2.955 1.00 62.12 H new ATOM 0 HB2 LEU A 59 4.156 4.186 5.457 1.00 71.34 H new ATOM 0 HB3 LEU A 59 2.540 3.509 5.448 1.00 71.34 H new ATOM 0 HG LEU A 59 4.796 2.452 3.726 1.00 32.25 H new ATOM 0 HD11 LEU A 59 5.002 0.647 5.390 1.00 62.22 H new ATOM 0 HD12 LEU A 59 5.396 2.236 6.088 1.00 62.22 H new ATOM 0 HD13 LEU A 59 3.823 1.478 6.432 1.00 62.22 H new ATOM 0 HD21 LEU A 59 3.355 0.459 3.562 1.00 22.31 H new ATOM 0 HD22 LEU A 59 2.112 1.284 4.533 1.00 22.31 H new ATOM 0 HD23 LEU A 59 2.547 1.912 2.926 1.00 22.31 H new ATOM 959 N SER A 60 2.911 6.831 4.565 1.00 72.33 N ATOM 960 CA SER A 60 2.242 8.023 5.074 1.00 53.51 C ATOM 961 C SER A 60 1.302 8.609 4.023 1.00 42.13 C ATOM 962 O SER A 60 0.095 8.710 4.241 1.00 24.34 O ATOM 963 CB SER A 60 3.273 9.072 5.494 1.00 71.25 C ATOM 964 OG SER A 60 4.108 9.430 4.406 1.00 11.42 O ATOM 0 H SER A 60 3.928 6.898 4.537 1.00 72.33 H new ATOM 0 HA SER A 60 1.652 7.735 5.944 1.00 53.51 H new ATOM 0 HB2 SER A 60 2.762 9.958 5.871 1.00 71.25 H new ATOM 0 HB3 SER A 60 3.881 8.682 6.310 1.00 71.25 H new ATOM 0 HG SER A 60 4.757 10.103 4.700 1.00 11.42 H new ATOM 970 N ARG A 61 1.867 8.993 2.883 1.00 53.33 N ATOM 971 CA ARG A 61 1.081 9.570 1.799 1.00 43.33 C ATOM 972 C ARG A 61 0.099 8.548 1.235 1.00 42.03 C ATOM 973 O ARG A 61 -1.022 8.890 0.862 1.00 30.13 O ATOM 974 CB ARG A 61 2.003 10.076 0.686 1.00 73.21 C ATOM 975 CG ARG A 61 2.441 11.520 0.868 1.00 71.21 C ATOM 976 CD ARG A 61 3.303 11.688 2.108 1.00 11.44 C ATOM 977 NE ARG A 61 2.548 12.246 3.228 1.00 62.44 N ATOM 978 CZ ARG A 61 3.114 12.838 4.273 1.00 14.41 C ATOM 979 NH1 ARG A 61 4.433 12.951 4.342 1.00 51.55 N ATOM 980 NH2 ARG A 61 2.359 13.321 5.252 1.00 11.13 N ATOM 0 H ARG A 61 2.865 8.915 2.686 1.00 53.33 H new ATOM 0 HA ARG A 61 0.513 10.409 2.202 1.00 43.33 H new ATOM 0 HB2 ARG A 61 2.887 9.440 0.641 1.00 73.21 H new ATOM 0 HB3 ARG A 61 1.491 9.978 -0.271 1.00 73.21 H new ATOM 0 HG2 ARG A 61 2.998 11.846 -0.010 1.00 71.21 H new ATOM 0 HG3 ARG A 61 1.563 12.161 0.945 1.00 71.21 H new ATOM 0 HD2 ARG A 61 3.717 10.721 2.395 1.00 11.44 H new ATOM 0 HD3 ARG A 61 4.146 12.340 1.878 1.00 11.44 H new ATOM 0 HE ARG A 61 1.531 12.177 3.206 1.00 62.44 H new ATOM 0 HH11 ARG A 61 5.016 12.583 3.591 1.00 51.55 H new ATOM 0 HH12 ARG A 61 4.864 13.406 5.146 1.00 51.55 H new ATOM 0 HH21 ARG A 61 1.344 13.237 5.202 1.00 11.13 H new ATOM 0 HH22 ARG A 61 2.794 13.776 6.055 1.00 11.13 H new ATOM 994 N MET A 62 0.529 7.292 1.176 1.00 63.15 N ATOM 995 CA MET A 62 -0.312 6.219 0.658 1.00 71.10 C ATOM 996 C MET A 62 -1.669 6.210 1.354 1.00 33.22 C ATOM 997 O MET A 62 -2.710 6.319 0.706 1.00 42.11 O ATOM 998 CB MET A 62 0.377 4.866 0.843 1.00 52.14 C ATOM 999 CG MET A 62 -0.359 3.713 0.179 1.00 2.00 C ATOM 1000 SD MET A 62 0.426 2.120 0.485 1.00 23.44 S ATOM 1001 CE MET A 62 -0.474 1.571 1.934 1.00 13.30 C ATOM 0 H MET A 62 1.455 6.992 1.481 1.00 63.15 H new ATOM 0 HA MET A 62 -0.469 6.396 -0.406 1.00 71.10 H new ATOM 0 HB2 MET A 62 1.387 4.923 0.437 1.00 52.14 H new ATOM 0 HB3 MET A 62 0.473 4.659 1.909 1.00 52.14 H new ATOM 0 HG2 MET A 62 -1.386 3.684 0.544 1.00 2.00 H new ATOM 0 HG3 MET A 62 -0.408 3.889 -0.896 1.00 2.00 H new ATOM 0 HE1 MET A 62 -0.101 0.595 2.246 1.00 13.30 H new ATOM 0 HE2 MET A 62 -0.334 2.288 2.743 1.00 13.30 H new ATOM 0 HE3 MET A 62 -1.535 1.495 1.696 1.00 13.30 H new ATOM 1011 N ASN A 63 -1.651 6.078 2.677 1.00 52.43 N ATOM 1012 CA ASN A 63 -2.881 6.054 3.459 1.00 31.35 C ATOM 1013 C ASN A 63 -3.758 7.261 3.133 1.00 62.54 C ATOM 1014 O ASN A 63 -4.942 7.116 2.829 1.00 33.31 O ATOM 1015 CB ASN A 63 -2.558 6.034 4.954 1.00 12.14 C ATOM 1016 CG ASN A 63 -3.767 5.688 5.803 1.00 72.34 C ATOM 1017 OD1 ASN A 63 -4.908 5.843 5.369 1.00 12.34 O ATOM 1018 ND2 ASN A 63 -3.520 5.215 7.019 1.00 12.23 N ATOM 0 H ASN A 63 -0.798 5.986 3.229 1.00 52.43 H new ATOM 0 HA ASN A 63 -3.429 5.148 3.200 1.00 31.35 H new ATOM 0 HB2 ASN A 63 -1.766 5.309 5.142 1.00 12.14 H new ATOM 0 HB3 ASN A 63 -2.175 7.010 5.253 1.00 12.14 H new ATOM 0 HD21 ASN A 63 -4.293 4.964 7.635 1.00 12.23 H new ATOM 0 HD22 ASN A 63 -2.557 5.103 7.337 1.00 12.23 H new ATOM 1025 N LEU A 64 -3.167 8.448 3.198 1.00 12.23 N ATOM 1026 CA LEU A 64 -3.893 9.680 2.909 1.00 35.42 C ATOM 1027 C LEU A 64 -4.361 9.708 1.457 1.00 14.04 C ATOM 1028 O LEU A 64 -5.243 10.488 1.094 1.00 64.50 O ATOM 1029 CB LEU A 64 -3.010 10.895 3.196 1.00 34.23 C ATOM 1030 CG LEU A 64 -2.974 11.371 4.649 1.00 75.20 C ATOM 1031 CD1 LEU A 64 -2.246 10.361 5.523 1.00 2.53 C ATOM 1032 CD2 LEU A 64 -2.314 12.738 4.747 1.00 51.41 C ATOM 0 H LEU A 64 -2.188 8.584 3.448 1.00 12.23 H new ATOM 0 HA LEU A 64 -4.770 9.716 3.555 1.00 35.42 H new ATOM 0 HB2 LEU A 64 -1.992 10.660 2.886 1.00 34.23 H new ATOM 0 HB3 LEU A 64 -3.350 11.722 2.572 1.00 34.23 H new ATOM 0 HG LEU A 64 -3.999 11.459 5.008 1.00 75.20 H new ATOM 0 HD11 LEU A 64 -2.230 10.716 6.553 1.00 2.53 H new ATOM 0 HD12 LEU A 64 -2.762 9.402 5.478 1.00 2.53 H new ATOM 0 HD13 LEU A 64 -1.224 10.240 5.165 1.00 2.53 H new ATOM 0 HD21 LEU A 64 -2.297 13.060 5.788 1.00 51.41 H new ATOM 0 HD22 LEU A 64 -1.293 12.677 4.370 1.00 51.41 H new ATOM 0 HD23 LEU A 64 -2.878 13.458 4.153 1.00 51.41 H new ATOM 1044 N ASP A 65 -3.766 8.854 0.633 1.00 62.30 N ATOM 1045 CA ASP A 65 -4.123 8.779 -0.779 1.00 52.21 C ATOM 1046 C ASP A 65 -5.294 7.823 -0.994 1.00 3.44 C ATOM 1047 O ASP A 65 -6.330 8.208 -1.536 1.00 42.41 O ATOM 1048 CB ASP A 65 -2.920 8.326 -1.608 1.00 74.11 C ATOM 1049 CG ASP A 65 -3.037 8.729 -3.066 1.00 23.42 C ATOM 1050 OD1 ASP A 65 -4.138 8.580 -3.636 1.00 52.42 O ATOM 1051 OD2 ASP A 65 -2.028 9.194 -3.634 1.00 60.32 O ATOM 0 H ASP A 65 -3.034 8.203 0.918 1.00 62.30 H new ATOM 0 HA ASP A 65 -4.425 9.774 -1.105 1.00 52.21 H new ATOM 0 HB2 ASP A 65 -2.010 8.755 -1.187 1.00 74.11 H new ATOM 0 HB3 ASP A 65 -2.823 7.242 -1.540 1.00 74.11 H new ATOM 1056 N ILE A 66 -5.119 6.578 -0.564 1.00 70.31 N ATOM 1057 CA ILE A 66 -6.161 5.568 -0.709 1.00 3.05 C ATOM 1058 C ILE A 66 -7.457 6.015 -0.040 1.00 43.13 C ATOM 1059 O ILE A 66 -8.518 6.020 -0.662 1.00 73.32 O ATOM 1060 CB ILE A 66 -5.725 4.219 -0.108 1.00 3.31 C ATOM 1061 CG1 ILE A 66 -4.380 3.785 -0.695 1.00 52.43 C ATOM 1062 CG2 ILE A 66 -6.786 3.159 -0.360 1.00 30.34 C ATOM 1063 CD1 ILE A 66 -3.886 2.460 -0.160 1.00 73.43 C ATOM 0 H ILE A 66 -4.267 6.244 -0.113 1.00 70.31 H new ATOM 0 HA ILE A 66 -6.332 5.442 -1.778 1.00 3.05 H new ATOM 0 HB ILE A 66 -5.608 4.339 0.969 1.00 3.31 H new ATOM 0 HG12 ILE A 66 -4.471 3.719 -1.779 1.00 52.43 H new ATOM 0 HG13 ILE A 66 -3.636 4.553 -0.484 1.00 52.43 H new ATOM 0 HG21 ILE A 66 -6.463 2.211 0.071 1.00 30.34 H new ATOM 0 HG22 ILE A 66 -7.724 3.466 0.102 1.00 30.34 H new ATOM 0 HG23 ILE A 66 -6.932 3.038 -1.433 1.00 30.34 H new ATOM 0 HD11 ILE A 66 -2.928 2.216 -0.620 1.00 73.43 H new ATOM 0 HD12 ILE A 66 -3.763 2.527 0.921 1.00 73.43 H new ATOM 0 HD13 ILE A 66 -4.610 1.680 -0.395 1.00 73.43 H new ATOM 1075 N SER A 67 -7.361 6.392 1.231 1.00 24.23 N ATOM 1076 CA SER A 67 -8.526 6.839 1.986 1.00 65.05 C ATOM 1077 C SER A 67 -9.231 7.985 1.268 1.00 40.13 C ATOM 1078 O SER A 67 -10.452 8.117 1.334 1.00 34.25 O ATOM 1079 CB SER A 67 -8.110 7.280 3.391 1.00 75.22 C ATOM 1080 OG SER A 67 -9.105 8.099 3.982 1.00 44.20 O ATOM 0 H SER A 67 -6.489 6.397 1.760 1.00 24.23 H new ATOM 0 HA SER A 67 -9.220 6.002 2.066 1.00 65.05 H new ATOM 0 HB2 SER A 67 -7.938 6.403 4.015 1.00 75.22 H new ATOM 0 HB3 SER A 67 -7.168 7.825 3.341 1.00 75.22 H new ATOM 0 HG SER A 67 -8.817 8.367 4.880 1.00 44.20 H new ATOM 1086 N LYS A 68 -8.451 8.813 0.580 1.00 1.45 N ATOM 1087 CA LYS A 68 -8.998 9.949 -0.152 1.00 72.23 C ATOM 1088 C LYS A 68 -9.760 9.483 -1.388 1.00 70.34 C ATOM 1089 O LYS A 68 -10.843 9.985 -1.688 1.00 33.31 O ATOM 1090 CB LYS A 68 -7.876 10.905 -0.562 1.00 13.34 C ATOM 1091 CG LYS A 68 -7.819 12.170 0.278 1.00 53.14 C ATOM 1092 CD LYS A 68 -6.649 13.052 -0.123 1.00 42.42 C ATOM 1093 CE LYS A 68 -6.395 14.143 0.906 1.00 51.51 C ATOM 1094 NZ LYS A 68 -5.890 13.588 2.192 1.00 61.25 N ATOM 0 H LYS A 68 -7.438 8.718 0.514 1.00 1.45 H new ATOM 0 HA LYS A 68 -9.692 10.473 0.505 1.00 72.23 H new ATOM 0 HB2 LYS A 68 -6.921 10.385 -0.486 1.00 13.34 H new ATOM 0 HB3 LYS A 68 -8.008 11.179 -1.609 1.00 13.34 H new ATOM 0 HG2 LYS A 68 -8.750 12.725 0.165 1.00 53.14 H new ATOM 0 HG3 LYS A 68 -7.732 11.905 1.332 1.00 53.14 H new ATOM 0 HD2 LYS A 68 -5.753 12.441 -0.236 1.00 42.42 H new ATOM 0 HD3 LYS A 68 -6.850 13.505 -1.094 1.00 42.42 H new ATOM 0 HE2 LYS A 68 -5.671 14.855 0.509 1.00 51.51 H new ATOM 0 HE3 LYS A 68 -7.318 14.694 1.086 1.00 51.51 H new ATOM 0 HZ1 LYS A 68 -6.635 13.653 2.914 1.00 61.25 H new ATOM 0 HZ2 LYS A 68 -5.622 12.592 2.059 1.00 61.25 H new ATOM 0 HZ3 LYS A 68 -5.059 14.131 2.502 1.00 61.25 H new ATOM 1108 N ALA A 69 -9.187 8.519 -2.102 1.00 75.15 N ATOM 1109 CA ALA A 69 -9.815 7.983 -3.304 1.00 54.14 C ATOM 1110 C ALA A 69 -11.202 7.428 -2.998 1.00 24.01 C ATOM 1111 O ALA A 69 -12.030 7.272 -3.896 1.00 13.41 O ATOM 1112 CB ALA A 69 -8.938 6.905 -3.921 1.00 42.35 C ATOM 0 H ALA A 69 -8.290 8.094 -1.869 1.00 75.15 H new ATOM 0 HA ALA A 69 -9.928 8.798 -4.019 1.00 54.14 H new ATOM 0 HB1 ALA A 69 -9.419 6.514 -4.817 1.00 42.35 H new ATOM 0 HB2 ALA A 69 -7.970 7.331 -4.185 1.00 42.35 H new ATOM 0 HB3 ALA A 69 -8.796 6.097 -3.203 1.00 42.35 H new ATOM 1118 N ILE A 70 -11.449 7.130 -1.727 1.00 44.42 N ATOM 1119 CA ILE A 70 -12.735 6.593 -1.304 1.00 3.03 C ATOM 1120 C ILE A 70 -13.838 7.638 -1.435 1.00 51.34 C ATOM 1121 O ILE A 70 -14.716 7.525 -2.290 1.00 31.25 O ATOM 1122 CB ILE A 70 -12.686 6.095 0.153 1.00 2.42 C ATOM 1123 CG1 ILE A 70 -11.404 5.297 0.399 1.00 21.23 C ATOM 1124 CG2 ILE A 70 -13.912 5.250 0.466 1.00 40.45 C ATOM 1125 CD1 ILE A 70 -11.369 4.610 1.746 1.00 33.42 C ATOM 0 H ILE A 70 -10.774 7.252 -0.972 1.00 44.42 H new ATOM 0 HA ILE A 70 -12.956 5.751 -1.960 1.00 3.03 H new ATOM 0 HB ILE A 70 -12.686 6.959 0.817 1.00 2.42 H new ATOM 0 HG12 ILE A 70 -11.296 4.547 -0.385 1.00 21.23 H new ATOM 0 HG13 ILE A 70 -10.548 5.967 0.319 1.00 21.23 H new ATOM 0 HG21 ILE A 70 -13.863 4.906 1.499 1.00 40.45 H new ATOM 0 HG22 ILE A 70 -14.812 5.849 0.326 1.00 40.45 H new ATOM 0 HG23 ILE A 70 -13.941 4.389 -0.202 1.00 40.45 H new ATOM 0 HD11 ILE A 70 -10.432 4.064 1.851 1.00 33.42 H new ATOM 0 HD12 ILE A 70 -11.445 5.356 2.537 1.00 33.42 H new ATOM 0 HD13 ILE A 70 -12.205 3.915 1.822 1.00 33.42 H new ATOM 1137 N ARG A 71 -13.783 8.657 -0.583 1.00 50.45 N ATOM 1138 CA ARG A 71 -14.776 9.725 -0.605 1.00 72.54 C ATOM 1139 C ARG A 71 -14.792 10.426 -1.960 1.00 1.24 C ATOM 1140 O ARG A 71 -15.852 10.646 -2.544 1.00 13.25 O ATOM 1141 CB ARG A 71 -14.491 10.739 0.504 1.00 44.40 C ATOM 1142 CG ARG A 71 -13.073 11.285 0.478 1.00 10.10 C ATOM 1143 CD ARG A 71 -12.768 12.101 1.725 1.00 3.40 C ATOM 1144 NE ARG A 71 -11.611 12.973 1.539 1.00 40.13 N ATOM 1145 CZ ARG A 71 -11.196 13.849 2.447 1.00 33.42 C ATOM 1146 NH1 ARG A 71 -11.842 13.968 3.600 1.00 70.03 N ATOM 1147 NH2 ARG A 71 -10.136 14.607 2.205 1.00 41.22 N ATOM 0 H ARG A 71 -13.062 8.765 0.130 1.00 50.45 H new ATOM 0 HA ARG A 71 -15.756 9.279 -0.436 1.00 72.54 H new ATOM 0 HB2 ARG A 71 -15.193 11.568 0.416 1.00 44.40 H new ATOM 0 HB3 ARG A 71 -14.673 10.269 1.470 1.00 44.40 H new ATOM 0 HG2 ARG A 71 -12.365 10.460 0.400 1.00 10.10 H new ATOM 0 HG3 ARG A 71 -12.937 11.906 -0.407 1.00 10.10 H new ATOM 0 HD2 ARG A 71 -13.638 12.704 1.986 1.00 3.40 H new ATOM 0 HD3 ARG A 71 -12.584 11.428 2.563 1.00 3.40 H new ATOM 0 HE ARG A 71 -11.093 12.905 0.663 1.00 40.13 H new ATOM 0 HH11 ARG A 71 -12.658 13.386 3.790 1.00 70.03 H new ATOM 0 HH12 ARG A 71 -11.522 14.641 4.297 1.00 70.03 H new ATOM 0 HH21 ARG A 71 -9.637 14.518 1.320 1.00 41.22 H new ATOM 0 HH22 ARG A 71 -9.819 15.279 2.904 1.00 41.22 H new ATOM 1161 N ASN A 72 -13.608 10.775 -2.453 1.00 14.21 N ATOM 1162 CA ASN A 72 -13.485 11.453 -3.739 1.00 33.11 C ATOM 1163 C ASN A 72 -14.186 10.663 -4.839 1.00 44.14 C ATOM 1164 O ASN A 72 -15.274 11.026 -5.283 1.00 34.24 O ATOM 1165 CB ASN A 72 -12.011 11.650 -4.096 1.00 3.44 C ATOM 1166 CG ASN A 72 -11.445 12.936 -3.523 1.00 60.14 C ATOM 1167 OD1 ASN A 72 -11.225 13.907 -4.247 1.00 75.32 O ATOM 1168 ND2 ASN A 72 -11.204 12.946 -2.218 1.00 2.14 N ATOM 0 H ASN A 72 -12.720 10.600 -1.982 1.00 14.21 H new ATOM 0 HA ASN A 72 -13.964 12.428 -3.655 1.00 33.11 H new ATOM 0 HB2 ASN A 72 -11.433 10.804 -3.723 1.00 3.44 H new ATOM 0 HB3 ASN A 72 -11.900 11.659 -5.180 1.00 3.44 H new ATOM 0 HD21 ASN A 72 -10.821 13.782 -1.777 1.00 2.14 H new ATOM 0 HD22 ASN A 72 -11.402 12.118 -1.656 1.00 2.14 H new ATOM 1175 N ASP A 73 -13.553 9.579 -5.277 1.00 23.15 N ATOM 1176 CA ASP A 73 -14.114 8.735 -6.325 1.00 35.14 C ATOM 1177 C ASP A 73 -15.543 8.322 -5.981 1.00 61.24 C ATOM 1178 O ASP A 73 -16.469 8.545 -6.759 1.00 4.02 O ATOM 1179 CB ASP A 73 -13.246 7.493 -6.530 1.00 12.31 C ATOM 1180 CG ASP A 73 -11.772 7.831 -6.639 1.00 70.33 C ATOM 1181 OD1 ASP A 73 -11.450 8.935 -7.124 1.00 63.01 O ATOM 1182 OD2 ASP A 73 -10.941 6.989 -6.238 1.00 1.24 O ATOM 0 H ASP A 73 -12.650 9.265 -4.921 1.00 23.15 H new ATOM 0 HA ASP A 73 -14.133 9.311 -7.250 1.00 35.14 H new ATOM 0 HB2 ASP A 73 -13.398 6.805 -5.698 1.00 12.31 H new ATOM 0 HB3 ASP A 73 -13.565 6.975 -7.434 1.00 12.31 H new ATOM 1187 N GLY A 74 -15.713 7.715 -4.810 1.00 65.11 N ATOM 1188 CA GLY A 74 -17.029 7.278 -4.385 1.00 2.03 C ATOM 1189 C GLY A 74 -17.081 5.791 -4.092 1.00 1.51 C ATOM 1190 O GLY A 74 -18.159 5.220 -3.930 1.00 25.11 O ATOM 0 H GLY A 74 -14.962 7.518 -4.148 1.00 65.11 H new ATOM 0 HA2 GLY A 74 -17.321 7.831 -3.492 1.00 2.03 H new ATOM 0 HA3 GLY A 74 -17.756 7.518 -5.161 1.00 2.03 H new ATOM 1194 N VAL A 75 -15.912 5.162 -4.026 1.00 43.12 N ATOM 1195 CA VAL A 75 -15.827 3.732 -3.751 1.00 55.53 C ATOM 1196 C VAL A 75 -15.791 3.462 -2.252 1.00 12.04 C ATOM 1197 O VAL A 75 -15.913 4.381 -1.440 1.00 63.43 O ATOM 1198 CB VAL A 75 -14.580 3.108 -4.405 1.00 10.44 C ATOM 1199 CG1 VAL A 75 -14.621 3.289 -5.915 1.00 43.41 C ATOM 1200 CG2 VAL A 75 -13.313 3.714 -3.821 1.00 14.31 C ATOM 0 H VAL A 75 -15.010 5.620 -4.159 1.00 43.12 H new ATOM 0 HA VAL A 75 -16.719 3.274 -4.178 1.00 55.53 H new ATOM 0 HB VAL A 75 -14.576 2.039 -4.192 1.00 10.44 H new ATOM 0 HG11 VAL A 75 -13.732 2.842 -6.359 1.00 43.41 H new ATOM 0 HG12 VAL A 75 -15.511 2.803 -6.316 1.00 43.41 H new ATOM 0 HG13 VAL A 75 -14.650 4.352 -6.153 1.00 43.41 H new ATOM 0 HG21 VAL A 75 -12.442 3.262 -4.294 1.00 14.31 H new ATOM 0 HG22 VAL A 75 -13.307 4.789 -4.002 1.00 14.31 H new ATOM 0 HG23 VAL A 75 -13.281 3.526 -2.748 1.00 14.31 H new ATOM 1210 N THR A 76 -15.621 2.195 -1.888 1.00 73.05 N ATOM 1211 CA THR A 76 -15.570 1.802 -0.486 1.00 41.41 C ATOM 1212 C THR A 76 -14.677 0.582 -0.289 1.00 21.02 C ATOM 1213 O THR A 76 -14.779 -0.400 -1.025 1.00 45.54 O ATOM 1214 CB THR A 76 -16.975 1.489 0.063 1.00 40.14 C ATOM 1215 OG1 THR A 76 -17.917 2.449 -0.429 1.00 32.40 O ATOM 1216 CG2 THR A 76 -16.977 1.501 1.584 1.00 54.20 C ATOM 0 H THR A 76 -15.516 1.423 -2.546 1.00 73.05 H new ATOM 0 HA THR A 76 -15.154 2.647 0.063 1.00 41.41 H new ATOM 0 HB THR A 76 -17.261 0.493 -0.276 1.00 40.14 H new ATOM 0 HG1 THR A 76 -18.808 2.243 -0.077 1.00 32.40 H new ATOM 0 HG21 THR A 76 -17.980 1.277 1.948 1.00 54.20 H new ATOM 0 HG22 THR A 76 -16.280 0.749 1.955 1.00 54.20 H new ATOM 0 HG23 THR A 76 -16.673 2.485 1.940 1.00 54.20 H new ATOM 1224 N LEU A 77 -13.802 0.651 0.709 1.00 73.44 N ATOM 1225 CA LEU A 77 -12.891 -0.450 1.003 1.00 25.44 C ATOM 1226 C LEU A 77 -13.619 -1.585 1.715 1.00 40.04 C ATOM 1227 O LEU A 77 -14.472 -1.349 2.571 1.00 45.10 O ATOM 1228 CB LEU A 77 -11.726 0.043 1.864 1.00 21.44 C ATOM 1229 CG LEU A 77 -10.904 1.195 1.286 1.00 22.42 C ATOM 1230 CD1 LEU A 77 -9.877 1.677 2.297 1.00 4.24 C ATOM 1231 CD2 LEU A 77 -10.224 0.769 -0.006 1.00 63.34 C ATOM 0 H LEU A 77 -13.704 1.456 1.327 1.00 73.44 H new ATOM 0 HA LEU A 77 -12.502 -0.829 0.058 1.00 25.44 H new ATOM 0 HB2 LEU A 77 -12.122 0.355 2.831 1.00 21.44 H new ATOM 0 HB3 LEU A 77 -11.057 -0.797 2.049 1.00 21.44 H new ATOM 0 HG LEU A 77 -11.579 2.021 1.062 1.00 22.42 H new ATOM 0 HD11 LEU A 77 -9.301 2.497 1.868 1.00 4.24 H new ATOM 0 HD12 LEU A 77 -10.386 2.023 3.196 1.00 4.24 H new ATOM 0 HD13 LEU A 77 -9.206 0.857 2.553 1.00 4.24 H new ATOM 0 HD21 LEU A 77 -9.643 1.602 -0.403 1.00 63.34 H new ATOM 0 HD22 LEU A 77 -9.561 -0.074 0.192 1.00 63.34 H new ATOM 0 HD23 LEU A 77 -10.979 0.473 -0.734 1.00 63.34 H new ATOM 1243 N SER A 78 -13.277 -2.818 1.356 1.00 43.00 N ATOM 1244 CA SER A 78 -13.900 -3.991 1.959 1.00 43.31 C ATOM 1245 C SER A 78 -13.368 -4.224 3.369 1.00 2.43 C ATOM 1246 O SER A 78 -12.422 -3.567 3.804 1.00 44.11 O ATOM 1247 CB SER A 78 -13.648 -5.229 1.095 1.00 1.14 C ATOM 1248 OG SER A 78 -14.680 -5.402 0.139 1.00 24.51 O ATOM 0 H SER A 78 -12.572 -3.031 0.650 1.00 43.00 H new ATOM 0 HA SER A 78 -14.973 -3.811 2.020 1.00 43.31 H new ATOM 0 HB2 SER A 78 -12.689 -5.132 0.586 1.00 1.14 H new ATOM 0 HB3 SER A 78 -13.584 -6.113 1.730 1.00 1.14 H new ATOM 0 HG SER A 78 -14.420 -6.097 -0.501 1.00 24.51 H new ATOM 1254 N ASP A 79 -13.983 -5.164 4.078 1.00 3.04 N ATOM 1255 CA ASP A 79 -13.571 -5.486 5.441 1.00 51.35 C ATOM 1256 C ASP A 79 -12.069 -5.745 5.508 1.00 61.10 C ATOM 1257 O ASP A 79 -11.332 -5.014 6.168 1.00 23.54 O ATOM 1258 CB ASP A 79 -14.336 -6.708 5.951 1.00 5.23 C ATOM 1259 CG ASP A 79 -15.737 -6.361 6.415 1.00 1.24 C ATOM 1260 OD1 ASP A 79 -15.885 -5.388 7.183 1.00 5.43 O ATOM 1261 OD2 ASP A 79 -16.686 -7.063 6.010 1.00 71.31 O ATOM 0 H ASP A 79 -14.768 -5.716 3.733 1.00 3.04 H new ATOM 0 HA ASP A 79 -13.802 -4.631 6.077 1.00 51.35 H new ATOM 0 HB2 ASP A 79 -14.393 -7.454 5.158 1.00 5.23 H new ATOM 0 HB3 ASP A 79 -13.785 -7.160 6.775 1.00 5.23 H new ATOM 1266 N TYR A 80 -11.624 -6.791 4.820 1.00 24.42 N ATOM 1267 CA TYR A 80 -10.211 -7.150 4.805 1.00 53.10 C ATOM 1268 C TYR A 80 -9.355 -5.969 4.359 1.00 44.40 C ATOM 1269 O TYR A 80 -8.249 -5.766 4.862 1.00 53.14 O ATOM 1270 CB TYR A 80 -9.976 -8.344 3.878 1.00 55.43 C ATOM 1271 CG TYR A 80 -10.335 -8.069 2.435 1.00 33.43 C ATOM 1272 CD1 TYR A 80 -11.648 -8.181 1.992 1.00 23.12 C ATOM 1273 CD2 TYR A 80 -9.363 -7.700 1.514 1.00 13.14 C ATOM 1274 CE1 TYR A 80 -11.982 -7.932 0.675 1.00 65.24 C ATOM 1275 CE2 TYR A 80 -9.687 -7.447 0.195 1.00 74.32 C ATOM 1276 CZ TYR A 80 -10.998 -7.565 -0.219 1.00 73.23 C ATOM 1277 OH TYR A 80 -11.325 -7.317 -1.533 1.00 51.41 O ATOM 0 H TYR A 80 -12.221 -7.405 4.266 1.00 24.42 H new ATOM 0 HA TYR A 80 -9.921 -7.424 5.819 1.00 53.10 H new ATOM 0 HB2 TYR A 80 -8.927 -8.636 3.934 1.00 55.43 H new ATOM 0 HB3 TYR A 80 -10.562 -9.191 4.235 1.00 55.43 H new ATOM 0 HD1 TYR A 80 -12.421 -8.468 2.690 1.00 23.12 H new ATOM 0 HD2 TYR A 80 -8.336 -7.609 1.835 1.00 13.14 H new ATOM 0 HE1 TYR A 80 -13.007 -8.024 0.347 1.00 65.24 H new ATOM 0 HE2 TYR A 80 -8.919 -7.159 -0.508 1.00 74.32 H new ATOM 0 HH TYR A 80 -10.518 -7.069 -2.030 1.00 51.41 H new ATOM 1287 N GLN A 81 -9.873 -5.193 3.413 1.00 73.14 N ATOM 1288 CA GLN A 81 -9.156 -4.032 2.898 1.00 32.54 C ATOM 1289 C GLN A 81 -8.862 -3.036 4.014 1.00 20.32 C ATOM 1290 O GLN A 81 -7.714 -2.876 4.430 1.00 70.21 O ATOM 1291 CB GLN A 81 -9.969 -3.353 1.794 1.00 65.15 C ATOM 1292 CG GLN A 81 -9.659 -3.878 0.401 1.00 64.51 C ATOM 1293 CD GLN A 81 -8.654 -3.015 -0.338 1.00 32.40 C ATOM 1294 OE1 GLN A 81 -8.124 -2.051 0.213 1.00 12.45 O ATOM 1295 NE2 GLN A 81 -8.388 -3.360 -1.592 1.00 71.12 N ATOM 0 H GLN A 81 -10.787 -5.347 2.987 1.00 73.14 H new ATOM 0 HA GLN A 81 -8.209 -4.376 2.483 1.00 32.54 H new ATOM 0 HB2 GLN A 81 -11.031 -3.492 1.998 1.00 65.15 H new ATOM 0 HB3 GLN A 81 -9.777 -2.280 1.820 1.00 65.15 H new ATOM 0 HG2 GLN A 81 -9.273 -4.894 0.478 1.00 64.51 H new ATOM 0 HG3 GLN A 81 -10.582 -3.930 -0.177 1.00 64.51 H new ATOM 0 HE21 GLN A 81 -8.852 -4.168 -2.008 1.00 71.12 H new ATOM 0 HE22 GLN A 81 -7.720 -2.817 -2.139 1.00 71.12 H new ATOM 1304 N SER A 82 -9.906 -2.368 4.496 1.00 41.03 N ATOM 1305 CA SER A 82 -9.758 -1.385 5.561 1.00 13.54 C ATOM 1306 C SER A 82 -8.957 -1.960 6.726 1.00 55.21 C ATOM 1307 O SER A 82 -8.224 -1.242 7.406 1.00 43.15 O ATOM 1308 CB SER A 82 -11.132 -0.922 6.052 1.00 2.44 C ATOM 1309 OG SER A 82 -11.700 -1.867 6.942 1.00 52.23 O ATOM 0 H SER A 82 -10.863 -2.490 4.165 1.00 41.03 H new ATOM 0 HA SER A 82 -9.216 -0.529 5.158 1.00 13.54 H new ATOM 0 HB2 SER A 82 -11.037 0.042 6.552 1.00 2.44 H new ATOM 0 HB3 SER A 82 -11.796 -0.775 5.200 1.00 2.44 H new ATOM 0 HG SER A 82 -11.571 -2.771 6.585 1.00 52.23 H new ATOM 1315 N LYS A 83 -9.103 -3.262 6.950 1.00 41.31 N ATOM 1316 CA LYS A 83 -8.395 -3.937 8.030 1.00 43.30 C ATOM 1317 C LYS A 83 -6.891 -3.945 7.772 1.00 21.54 C ATOM 1318 O LYS A 83 -6.097 -3.631 8.660 1.00 54.44 O ATOM 1319 CB LYS A 83 -8.904 -5.372 8.183 1.00 24.24 C ATOM 1320 CG LYS A 83 -10.150 -5.486 9.044 1.00 52.11 C ATOM 1321 CD LYS A 83 -10.917 -6.764 8.749 1.00 50.53 C ATOM 1322 CE LYS A 83 -10.185 -7.988 9.277 1.00 44.14 C ATOM 1323 NZ LYS A 83 -11.017 -9.219 9.175 1.00 30.33 N ATOM 0 H LYS A 83 -9.706 -3.871 6.397 1.00 41.31 H new ATOM 0 HA LYS A 83 -8.585 -3.390 8.953 1.00 43.30 H new ATOM 0 HB2 LYS A 83 -9.116 -5.781 7.195 1.00 24.24 H new ATOM 0 HB3 LYS A 83 -8.114 -5.984 8.618 1.00 24.24 H new ATOM 0 HG2 LYS A 83 -9.869 -5.464 10.097 1.00 52.11 H new ATOM 0 HG3 LYS A 83 -10.795 -4.625 8.868 1.00 52.11 H new ATOM 0 HD2 LYS A 83 -11.907 -6.708 9.201 1.00 50.53 H new ATOM 0 HD3 LYS A 83 -11.063 -6.862 7.673 1.00 50.53 H new ATOM 0 HE2 LYS A 83 -9.260 -8.127 8.717 1.00 44.14 H new ATOM 0 HE3 LYS A 83 -9.906 -7.823 10.318 1.00 44.14 H new ATOM 0 HZ1 LYS A 83 -10.483 -10.031 9.545 1.00 30.33 H new ATOM 0 HZ2 LYS A 83 -11.888 -9.096 9.730 1.00 30.33 H new ATOM 0 HZ3 LYS A 83 -11.262 -9.391 8.179 1.00 30.33 H new ATOM 1337 N LYS A 84 -6.506 -4.305 6.553 1.00 72.53 N ATOM 1338 CA LYS A 84 -5.098 -4.352 6.177 1.00 14.11 C ATOM 1339 C LYS A 84 -4.479 -2.958 6.216 1.00 45.41 C ATOM 1340 O LYS A 84 -3.257 -2.813 6.296 1.00 13.11 O ATOM 1341 CB LYS A 84 -4.942 -4.951 4.777 1.00 32.52 C ATOM 1342 CG LYS A 84 -4.967 -3.916 3.666 1.00 53.25 C ATOM 1343 CD LYS A 84 -3.563 -3.493 3.266 1.00 21.21 C ATOM 1344 CE LYS A 84 -3.561 -2.123 2.605 1.00 22.32 C ATOM 1345 NZ LYS A 84 -2.674 -2.085 1.410 1.00 21.11 N ATOM 0 H LYS A 84 -7.150 -4.569 5.807 1.00 72.53 H new ATOM 0 HA LYS A 84 -4.576 -4.984 6.896 1.00 14.11 H new ATOM 0 HB2 LYS A 84 -4.002 -5.501 4.729 1.00 32.52 H new ATOM 0 HB3 LYS A 84 -5.742 -5.672 4.608 1.00 32.52 H new ATOM 0 HG2 LYS A 84 -5.486 -4.324 2.799 1.00 53.25 H new ATOM 0 HG3 LYS A 84 -5.532 -3.043 3.993 1.00 53.25 H new ATOM 0 HD2 LYS A 84 -2.923 -3.474 4.148 1.00 21.21 H new ATOM 0 HD3 LYS A 84 -3.141 -4.229 2.582 1.00 21.21 H new ATOM 0 HE2 LYS A 84 -4.577 -1.860 2.311 1.00 22.32 H new ATOM 0 HE3 LYS A 84 -3.233 -1.373 3.325 1.00 22.32 H new ATOM 0 HZ1 LYS A 84 -2.965 -1.305 0.786 1.00 21.11 H new ATOM 0 HZ2 LYS A 84 -1.690 -1.937 1.713 1.00 21.11 H new ATOM 0 HZ3 LYS A 84 -2.746 -2.986 0.895 1.00 21.11 H new ATOM 1359 N LEU A 85 -5.326 -1.937 6.162 1.00 60.32 N ATOM 1360 CA LEU A 85 -4.861 -0.554 6.192 1.00 30.02 C ATOM 1361 C LEU A 85 -4.308 -0.196 7.568 1.00 31.41 C ATOM 1362 O LEU A 85 -3.331 0.543 7.684 1.00 41.20 O ATOM 1363 CB LEU A 85 -6.002 0.396 5.826 1.00 1.22 C ATOM 1364 CG LEU A 85 -5.640 1.550 4.890 1.00 3.15 C ATOM 1365 CD1 LEU A 85 -4.611 2.462 5.540 1.00 44.22 C ATOM 1366 CD2 LEU A 85 -5.120 1.017 3.563 1.00 71.34 C ATOM 0 H LEU A 85 -6.339 -2.040 6.097 1.00 60.32 H new ATOM 0 HA LEU A 85 -4.060 -0.449 5.460 1.00 30.02 H new ATOM 0 HB2 LEU A 85 -6.798 -0.186 5.362 1.00 1.22 H new ATOM 0 HB3 LEU A 85 -6.409 0.815 6.746 1.00 1.22 H new ATOM 0 HG LEU A 85 -6.541 2.132 4.697 1.00 3.15 H new ATOM 0 HD11 LEU A 85 -4.366 3.277 4.859 1.00 44.22 H new ATOM 0 HD12 LEU A 85 -5.020 2.871 6.464 1.00 44.22 H new ATOM 0 HD13 LEU A 85 -3.709 1.892 5.763 1.00 44.22 H new ATOM 0 HD21 LEU A 85 -4.867 1.852 2.909 1.00 71.34 H new ATOM 0 HD22 LEU A 85 -4.231 0.411 3.738 1.00 71.34 H new ATOM 0 HD23 LEU A 85 -5.889 0.406 3.090 1.00 71.34 H new ATOM 1378 N LYS A 86 -4.938 -0.728 8.611 1.00 70.24 N ATOM 1379 CA LYS A 86 -4.509 -0.469 9.980 1.00 62.45 C ATOM 1380 C LYS A 86 -3.197 -1.187 10.283 1.00 3.53 C ATOM 1381 O LYS A 86 -2.592 -0.972 11.333 1.00 65.53 O ATOM 1382 CB LYS A 86 -5.588 -0.917 10.967 1.00 22.04 C ATOM 1383 CG LYS A 86 -5.594 -2.414 11.224 1.00 65.20 C ATOM 1384 CD LYS A 86 -5.089 -2.743 12.619 1.00 13.10 C ATOM 1385 CE LYS A 86 -3.726 -3.417 12.574 1.00 34.23 C ATOM 1386 NZ LYS A 86 -2.768 -2.797 13.531 1.00 55.21 N ATOM 0 H LYS A 86 -5.749 -1.342 8.533 1.00 70.24 H new ATOM 0 HA LYS A 86 -4.349 0.604 10.088 1.00 62.45 H new ATOM 0 HB2 LYS A 86 -5.443 -0.395 11.913 1.00 22.04 H new ATOM 0 HB3 LYS A 86 -6.564 -0.619 10.585 1.00 22.04 H new ATOM 0 HG2 LYS A 86 -6.606 -2.801 11.102 1.00 65.20 H new ATOM 0 HG3 LYS A 86 -4.970 -2.914 10.483 1.00 65.20 H new ATOM 0 HD2 LYS A 86 -5.025 -1.829 13.209 1.00 13.10 H new ATOM 0 HD3 LYS A 86 -5.803 -3.396 13.121 1.00 13.10 H new ATOM 0 HE2 LYS A 86 -3.837 -4.476 12.806 1.00 34.23 H new ATOM 0 HE3 LYS A 86 -3.322 -3.353 11.563 1.00 34.23 H new ATOM 0 HZ1 LYS A 86 -2.010 -3.474 13.751 1.00 55.21 H new ATOM 0 HZ2 LYS A 86 -2.356 -1.942 13.105 1.00 55.21 H new ATOM 0 HZ3 LYS A 86 -3.268 -2.541 14.406 1.00 55.21 H new ATOM 1400 N GLU A 87 -2.764 -2.036 9.356 1.00 22.34 N ATOM 1401 CA GLU A 87 -1.523 -2.784 9.527 1.00 52.41 C ATOM 1402 C GLU A 87 -0.320 -1.844 9.540 1.00 21.25 C ATOM 1403 O GLU A 87 0.228 -1.534 10.599 1.00 21.34 O ATOM 1404 CB GLU A 87 -1.366 -3.815 8.408 1.00 50.15 C ATOM 1405 CG GLU A 87 -2.409 -4.918 8.445 1.00 32.42 C ATOM 1406 CD GLU A 87 -2.246 -5.916 7.316 1.00 60.13 C ATOM 1407 OE1 GLU A 87 -1.212 -5.855 6.617 1.00 74.12 O ATOM 1408 OE2 GLU A 87 -3.150 -6.756 7.129 1.00 23.25 O ATOM 0 H GLU A 87 -3.253 -2.223 8.481 1.00 22.34 H new ATOM 0 HA GLU A 87 -1.569 -3.302 10.485 1.00 52.41 H new ATOM 0 HB2 GLU A 87 -1.422 -3.306 7.446 1.00 50.15 H new ATOM 0 HB3 GLU A 87 -0.374 -4.262 8.474 1.00 50.15 H new ATOM 0 HG2 GLU A 87 -2.345 -5.441 9.399 1.00 32.42 H new ATOM 0 HG3 GLU A 87 -3.403 -4.474 8.391 1.00 32.42 H new ATOM 1415 N LEU A 88 0.086 -1.395 8.358 1.00 24.32 N ATOM 1416 CA LEU A 88 1.225 -0.492 8.233 1.00 23.23 C ATOM 1417 C LEU A 88 0.938 0.842 8.914 1.00 1.23 C ATOM 1418 O LEU A 88 1.827 1.684 9.056 1.00 61.34 O ATOM 1419 CB LEU A 88 1.559 -0.264 6.758 1.00 45.20 C ATOM 1420 CG LEU A 88 0.367 -0.076 5.820 1.00 62.42 C ATOM 1421 CD1 LEU A 88 -0.173 -1.424 5.367 1.00 1.41 C ATOM 1422 CD2 LEU A 88 -0.725 0.735 6.501 1.00 14.34 C ATOM 0 H LEU A 88 -0.356 -1.641 7.472 1.00 24.32 H new ATOM 0 HA LEU A 88 2.081 -0.954 8.726 1.00 23.23 H new ATOM 0 HB2 LEU A 88 2.197 0.617 6.683 1.00 45.20 H new ATOM 0 HB3 LEU A 88 2.144 -1.113 6.404 1.00 45.20 H new ATOM 0 HG LEU A 88 0.704 0.472 4.940 1.00 62.42 H new ATOM 0 HD11 LEU A 88 -1.021 -1.271 4.700 1.00 1.41 H new ATOM 0 HD12 LEU A 88 0.609 -1.971 4.840 1.00 1.41 H new ATOM 0 HD13 LEU A 88 -0.494 -1.998 6.236 1.00 1.41 H new ATOM 0 HD21 LEU A 88 -1.566 0.859 5.818 1.00 14.34 H new ATOM 0 HD22 LEU A 88 -1.060 0.214 7.398 1.00 14.34 H new ATOM 0 HD23 LEU A 88 -0.333 1.714 6.775 1.00 14.34 H new ATOM 1434 N THR A 89 -0.308 1.030 9.336 1.00 22.23 N ATOM 1435 CA THR A 89 -0.712 2.261 10.004 1.00 42.45 C ATOM 1436 C THR A 89 -0.003 2.418 11.345 1.00 63.24 C ATOM 1437 O THR A 89 0.449 3.508 11.696 1.00 44.35 O ATOM 1438 CB THR A 89 -2.234 2.304 10.232 1.00 22.31 C ATOM 1439 OG1 THR A 89 -2.902 2.657 9.016 1.00 35.03 O ATOM 1440 CG2 THR A 89 -2.590 3.304 11.322 1.00 23.34 C ATOM 0 H THR A 89 -1.056 0.345 9.227 1.00 22.23 H new ATOM 0 HA THR A 89 -0.428 3.084 9.348 1.00 42.45 H new ATOM 0 HB THR A 89 -2.560 1.314 10.550 1.00 22.31 H new ATOM 0 HG1 THR A 89 -2.779 1.943 8.356 1.00 35.03 H new ATOM 0 HG21 THR A 89 -3.670 3.317 11.465 1.00 23.34 H new ATOM 0 HG22 THR A 89 -2.104 3.015 12.254 1.00 23.34 H new ATOM 0 HG23 THR A 89 -2.251 4.298 11.029 1.00 23.34 H new ATOM 1448 N SER A 90 0.090 1.322 12.090 1.00 22.45 N ATOM 1449 CA SER A 90 0.741 1.338 13.395 1.00 14.22 C ATOM 1450 C SER A 90 2.259 1.370 13.245 1.00 11.00 C ATOM 1451 O SER A 90 2.965 1.926 14.087 1.00 44.34 O ATOM 1452 CB SER A 90 0.325 0.114 14.212 1.00 72.41 C ATOM 1453 OG SER A 90 1.160 -0.052 15.345 1.00 30.14 O ATOM 0 H SER A 90 -0.277 0.412 11.813 1.00 22.45 H new ATOM 0 HA SER A 90 0.425 2.240 13.919 1.00 14.22 H new ATOM 0 HB2 SER A 90 -0.711 0.222 14.533 1.00 72.41 H new ATOM 0 HB3 SER A 90 0.374 -0.778 13.587 1.00 72.41 H new ATOM 0 HG SER A 90 0.872 -0.840 15.851 1.00 30.14 H new ATOM 1459 N ILE A 91 2.753 0.771 12.166 1.00 30.14 N ATOM 1460 CA ILE A 91 4.187 0.732 11.904 1.00 34.54 C ATOM 1461 C ILE A 91 4.710 2.107 11.504 1.00 34.21 C ATOM 1462 O ILE A 91 5.798 2.511 11.913 1.00 50.24 O ATOM 1463 CB ILE A 91 4.528 -0.278 10.794 1.00 74.13 C ATOM 1464 CG1 ILE A 91 3.846 -1.620 11.066 1.00 24.33 C ATOM 1465 CG2 ILE A 91 6.035 -0.456 10.684 1.00 72.41 C ATOM 1466 CD1 ILE A 91 4.066 -2.643 9.974 1.00 30.01 C ATOM 0 H ILE A 91 2.182 0.307 11.460 1.00 30.14 H new ATOM 0 HA ILE A 91 4.669 0.418 12.830 1.00 34.54 H new ATOM 0 HB ILE A 91 4.157 0.110 9.845 1.00 74.13 H new ATOM 0 HG12 ILE A 91 4.217 -2.022 12.009 1.00 24.33 H new ATOM 0 HG13 ILE A 91 2.775 -1.456 11.188 1.00 24.33 H new ATOM 0 HG21 ILE A 91 6.260 -1.173 9.895 1.00 72.41 H new ATOM 0 HG22 ILE A 91 6.498 0.502 10.447 1.00 72.41 H new ATOM 0 HG23 ILE A 91 6.428 -0.824 11.632 1.00 72.41 H new ATOM 0 HD11 ILE A 91 3.554 -3.569 10.235 1.00 30.01 H new ATOM 0 HD12 ILE A 91 3.670 -2.262 9.033 1.00 30.01 H new ATOM 0 HD13 ILE A 91 5.133 -2.836 9.866 1.00 30.01 H new ATOM 1478 N SER A 92 3.926 2.823 10.703 1.00 24.14 N ATOM 1479 CA SER A 92 4.311 4.153 10.246 1.00 62.12 C ATOM 1480 C SER A 92 4.239 5.162 11.389 1.00 42.44 C ATOM 1481 O SER A 92 3.934 4.807 12.526 1.00 33.32 O ATOM 1482 CB SER A 92 3.407 4.601 9.097 1.00 43.33 C ATOM 1483 OG SER A 92 2.206 5.172 9.586 1.00 53.13 O ATOM 0 H SER A 92 3.021 2.504 10.358 1.00 24.14 H new ATOM 0 HA SER A 92 5.341 4.105 9.891 1.00 62.12 H new ATOM 0 HB2 SER A 92 3.933 5.328 8.478 1.00 43.33 H new ATOM 0 HB3 SER A 92 3.175 3.748 8.459 1.00 43.33 H new ATOM 0 HG SER A 92 1.773 4.545 10.203 1.00 53.13 H new