USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 878 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 13 SER OG : rot 41:sc= -0.137 USER MOD Set 1.2: A 16 GLN :FLIP amide:sc= 0.349 F(o=-0.69,f=0.21) USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 19 THR OG1 : rot 77:sc= 0.00295 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0687) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0.974 (180deg=0.834) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 42 GLN : amide:sc= 0.158 K(o=0.16,f=-1.9) USER MOD Single : A 44 SER OG : rot 110:sc= -0.0223 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 63:sc= -0.909 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.0207 USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0766) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -96:sc= -0.286 USER MOD Single : A 78 SER OG : rot 88:sc= 2.03 USER MOD Single : A 79 ASN : amide:sc= 0.43 K(o=0.43,f=-8.2!) USER MOD Single : A 87 CYS SG : rot 155:sc= -0.263 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.301 K(o=0.3,f=-0.37) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.000183 X(o=-0.00018,f=-0.069) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 108 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.99) USER MOD Single : A 109 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.853) USER MOD Single : A 112 SER OG : rot 85:sc= 0.997 USER MOD Single : A 113 SER OG : rot 82:sc= 0.862 USER MOD Single : A 116 THR OG1 : rot 77:sc= 0.872 USER MOD Single : A 118 ASN : amide:sc= 1.01 K(o=1,f=-0.033) USER MOD Single : A 119 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 121 THR OG1 : rot -77:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.718 6.491 -13.238 1.00 34.15 N ATOM 196 CA SER A 13 2.524 6.148 -12.457 1.00 1.40 C ATOM 197 C SER A 13 2.786 6.254 -10.947 1.00 53.01 C ATOM 198 O SER A 13 1.856 6.280 -10.141 1.00 4.44 O ATOM 199 CB SER A 13 2.052 4.729 -12.807 1.00 61.30 C ATOM 200 OG SER A 13 0.856 4.397 -12.123 1.00 32.32 O ATOM 0 HA SER A 13 1.744 6.864 -12.714 1.00 1.40 H new ATOM 0 HB2 SER A 13 1.891 4.653 -13.882 1.00 61.30 H new ATOM 0 HB3 SER A 13 2.831 4.011 -12.550 1.00 61.30 H new ATOM 0 HG SER A 13 0.254 5.170 -12.123 1.00 32.32 H new ATOM 206 N ALA A 14 4.058 6.311 -10.567 1.00 53.54 N ATOM 207 CA ALA A 14 4.430 6.453 -9.159 1.00 13.52 C ATOM 208 C ALA A 14 4.071 7.843 -8.605 1.00 3.44 C ATOM 209 O ALA A 14 3.585 7.955 -7.480 1.00 1.25 O ATOM 210 CB ALA A 14 5.914 6.174 -8.977 1.00 4.44 C ATOM 0 H ALA A 14 4.848 6.261 -11.210 1.00 53.54 H new ATOM 0 HA ALA A 14 3.856 5.721 -8.591 1.00 13.52 H new ATOM 0 HB1 ALA A 14 6.178 6.283 -7.925 1.00 4.44 H new ATOM 0 HB2 ALA A 14 6.136 5.158 -9.304 1.00 4.44 H new ATOM 0 HB3 ALA A 14 6.493 6.881 -9.572 1.00 4.44 H new ATOM 216 N GLU A 15 4.308 8.896 -9.397 1.00 73.13 N ATOM 217 CA GLU A 15 3.991 10.275 -8.981 1.00 64.23 C ATOM 218 C GLU A 15 2.532 10.412 -8.505 1.00 14.43 C ATOM 219 O GLU A 15 2.273 10.814 -7.367 1.00 73.23 O ATOM 220 CB GLU A 15 4.256 11.268 -10.128 1.00 10.24 C ATOM 221 CG GLU A 15 5.727 11.413 -10.505 1.00 44.55 C ATOM 222 CD GLU A 15 5.970 12.533 -11.509 1.00 53.10 C ATOM 223 OE1 GLU A 15 5.753 12.319 -12.718 1.00 34.40 O ATOM 224 OE2 GLU A 15 6.380 13.637 -11.088 1.00 50.52 O ATOM 0 H GLU A 15 4.717 8.824 -10.328 1.00 73.13 H new ATOM 0 HA GLU A 15 4.646 10.510 -8.142 1.00 64.23 H new ATOM 0 HB2 GLU A 15 3.698 10.947 -11.007 1.00 10.24 H new ATOM 0 HB3 GLU A 15 3.868 12.246 -9.843 1.00 10.24 H new ATOM 0 HG2 GLU A 15 6.311 11.605 -9.605 1.00 44.55 H new ATOM 0 HG3 GLU A 15 6.085 10.472 -10.923 1.00 44.55 H new ATOM 231 N GLN A 16 1.585 10.069 -9.381 1.00 23.11 N ATOM 232 CA GLN A 16 0.155 10.120 -9.042 1.00 3.12 C ATOM 233 C GLN A 16 -0.162 9.292 -7.783 1.00 31.14 C ATOM 234 O GLN A 16 -0.969 9.701 -6.947 1.00 51.34 O ATOM 235 CB GLN A 16 -0.696 9.621 -10.224 1.00 64.35 C ATOM 236 CG GLN A 16 -0.270 8.257 -10.760 1.00 0.53 C ATOM 237 CD GLN A 16 -1.258 7.655 -11.745 1.00 24.31 C ATOM 238 OE1 GLN A 16 -1.271 6.341 -11.841 1.00 35.30 O flip ATOM 239 NE2 GLN A 16 -1.989 8.362 -12.430 1.00 65.11 N flip ATOM 0 H GLN A 16 1.779 9.753 -10.331 1.00 23.11 H new ATOM 0 HA GLN A 16 -0.093 11.160 -8.832 1.00 3.12 H new ATOM 0 HB2 GLN A 16 -1.739 9.568 -9.911 1.00 64.35 H new ATOM 0 HB3 GLN A 16 -0.642 10.351 -11.032 1.00 64.35 H new ATOM 0 HG2 GLN A 16 0.701 8.354 -11.246 1.00 0.53 H new ATOM 0 HG3 GLN A 16 -0.141 7.571 -9.923 1.00 0.53 H new ATOM 0 HE21 GLN A 16 -1.955 9.377 -12.332 1.00 65.11 H new ATOM 0 HE22 GLN A 16 -2.631 7.935 -13.098 1.00 65.11 H new ATOM 248 N THR A 17 0.485 8.133 -7.652 1.00 73.14 N ATOM 249 CA THR A 17 0.272 7.247 -6.496 1.00 73.11 C ATOM 250 C THR A 17 0.706 7.917 -5.182 1.00 21.34 C ATOM 251 O THR A 17 -0.033 7.898 -4.194 1.00 2.14 O ATOM 252 CB THR A 17 1.024 5.901 -6.660 1.00 13.25 C ATOM 253 OG1 THR A 17 0.586 5.236 -7.855 1.00 62.04 O ATOM 254 CG2 THR A 17 0.787 4.986 -5.461 1.00 52.14 C ATOM 0 H THR A 17 1.162 7.782 -8.330 1.00 73.14 H new ATOM 0 HA THR A 17 -0.799 7.048 -6.453 1.00 73.11 H new ATOM 0 HB THR A 17 2.090 6.120 -6.726 1.00 13.25 H new ATOM 0 HG1 THR A 17 1.044 5.622 -8.631 1.00 62.04 H new ATOM 0 HG21 THR A 17 1.327 4.050 -5.605 1.00 52.14 H new ATOM 0 HG22 THR A 17 1.143 5.475 -4.554 1.00 52.14 H new ATOM 0 HG23 THR A 17 -0.279 4.779 -5.366 1.00 52.14 H new ATOM 262 N VAL A 18 1.900 8.518 -5.177 1.00 20.43 N ATOM 263 CA VAL A 18 2.389 9.256 -4.001 1.00 64.01 C ATOM 264 C VAL A 18 1.397 10.362 -3.608 1.00 3.22 C ATOM 265 O VAL A 18 0.968 10.451 -2.455 1.00 73.43 O ATOM 266 CB VAL A 18 3.783 9.892 -4.259 1.00 71.32 C ATOM 267 CG1 VAL A 18 4.274 10.652 -3.025 1.00 45.24 C ATOM 268 CG2 VAL A 18 4.801 8.831 -4.680 1.00 73.41 C ATOM 0 H VAL A 18 2.545 8.510 -5.967 1.00 20.43 H new ATOM 0 HA VAL A 18 2.481 8.536 -3.188 1.00 64.01 H new ATOM 0 HB VAL A 18 3.678 10.604 -5.078 1.00 71.32 H new ATOM 0 HG11 VAL A 18 5.252 11.088 -3.231 1.00 45.24 H new ATOM 0 HG12 VAL A 18 3.567 11.445 -2.781 1.00 45.24 H new ATOM 0 HG13 VAL A 18 4.353 9.965 -2.182 1.00 45.24 H new ATOM 0 HG21 VAL A 18 5.768 9.303 -4.854 1.00 73.41 H new ATOM 0 HG22 VAL A 18 4.898 8.086 -3.890 1.00 73.41 H new ATOM 0 HG23 VAL A 18 4.464 8.346 -5.596 1.00 73.41 H new ATOM 278 N THR A 19 1.028 11.189 -4.586 1.00 22.23 N ATOM 279 CA THR A 19 0.039 12.256 -4.381 1.00 75.31 C ATOM 280 C THR A 19 -1.285 11.701 -3.829 1.00 45.44 C ATOM 281 O THR A 19 -1.891 12.283 -2.923 1.00 5.42 O ATOM 282 CB THR A 19 -0.235 13.018 -5.703 1.00 13.34 C ATOM 283 OG1 THR A 19 0.979 13.621 -6.181 1.00 1.42 O ATOM 284 CG2 THR A 19 -1.301 14.098 -5.518 1.00 14.34 C ATOM 0 H THR A 19 1.400 11.143 -5.535 1.00 22.23 H new ATOM 0 HA THR A 19 0.460 12.945 -3.649 1.00 75.31 H new ATOM 0 HB THR A 19 -0.604 12.296 -6.432 1.00 13.34 H new ATOM 0 HG1 THR A 19 1.545 12.935 -6.592 1.00 1.42 H new ATOM 0 HG21 THR A 19 -1.467 14.611 -6.465 1.00 14.34 H new ATOM 0 HG22 THR A 19 -2.232 13.638 -5.187 1.00 14.34 H new ATOM 0 HG23 THR A 19 -0.965 14.816 -4.770 1.00 14.34 H new ATOM 292 N TRP A 20 -1.713 10.562 -4.371 1.00 44.54 N ATOM 293 CA TRP A 20 -2.955 9.901 -3.947 1.00 41.02 C ATOM 294 C TRP A 20 -2.879 9.412 -2.485 1.00 53.21 C ATOM 295 O TRP A 20 -3.844 9.530 -1.729 1.00 52.14 O ATOM 296 CB TRP A 20 -3.262 8.733 -4.896 1.00 22.33 C ATOM 297 CG TRP A 20 -4.483 7.942 -4.527 1.00 4.11 C ATOM 298 CD1 TRP A 20 -5.758 8.413 -4.381 1.00 62.41 C ATOM 299 CD2 TRP A 20 -4.541 6.532 -4.281 1.00 14.42 C ATOM 300 NE1 TRP A 20 -6.603 7.380 -4.051 1.00 65.21 N ATOM 301 CE2 TRP A 20 -5.879 6.217 -3.981 1.00 40.13 C ATOM 302 CE3 TRP A 20 -3.589 5.507 -4.279 1.00 20.41 C ATOM 303 CZ2 TRP A 20 -6.289 4.920 -3.686 1.00 34.22 C ATOM 304 CZ3 TRP A 20 -3.997 4.220 -3.986 1.00 52.10 C ATOM 305 CH2 TRP A 20 -5.336 3.936 -3.692 1.00 61.14 C ATOM 0 H TRP A 20 -1.215 10.070 -5.113 1.00 44.54 H new ATOM 0 HA TRP A 20 -3.763 10.631 -3.994 1.00 41.02 H new ATOM 0 HB2 TRP A 20 -3.388 9.124 -5.906 1.00 22.33 H new ATOM 0 HB3 TRP A 20 -2.403 8.063 -4.919 1.00 22.33 H new ATOM 0 HD1 TRP A 20 -6.057 9.443 -4.506 1.00 62.41 H new ATOM 0 HE1 TRP A 20 -7.606 7.465 -3.885 1.00 65.21 H new ATOM 0 HE3 TRP A 20 -2.554 5.718 -4.502 1.00 20.41 H new ATOM 0 HZ2 TRP A 20 -7.321 4.697 -3.460 1.00 34.22 H new ATOM 0 HZ3 TRP A 20 -3.271 3.420 -3.984 1.00 52.10 H new ATOM 0 HH2 TRP A 20 -5.624 2.920 -3.465 1.00 61.14 H new ATOM 316 N LEU A 21 -1.730 8.872 -2.087 1.00 41.22 N ATOM 317 CA LEU A 21 -1.531 8.425 -0.701 1.00 21.32 C ATOM 318 C LEU A 21 -1.508 9.614 0.279 1.00 12.01 C ATOM 319 O LEU A 21 -1.988 9.513 1.412 1.00 3.24 O ATOM 320 CB LEU A 21 -0.227 7.621 -0.580 1.00 42.41 C ATOM 321 CG LEU A 21 -0.159 6.337 -1.424 1.00 4.52 C ATOM 322 CD1 LEU A 21 1.179 5.628 -1.221 1.00 41.22 C ATOM 323 CD2 LEU A 21 -1.321 5.403 -1.088 1.00 32.42 C ATOM 0 H LEU A 21 -0.924 8.732 -2.696 1.00 41.22 H new ATOM 0 HA LEU A 21 -2.373 7.786 -0.437 1.00 21.32 H new ATOM 0 HB2 LEU A 21 0.605 8.266 -0.864 1.00 42.41 H new ATOM 0 HB3 LEU A 21 -0.081 7.355 0.467 1.00 42.41 H new ATOM 0 HG LEU A 21 -0.242 6.617 -2.474 1.00 4.52 H new ATOM 0 HD11 LEU A 21 1.206 4.722 -1.827 1.00 41.22 H new ATOM 0 HD12 LEU A 21 1.991 6.290 -1.521 1.00 41.22 H new ATOM 0 HD13 LEU A 21 1.296 5.365 -0.170 1.00 41.22 H new ATOM 0 HD21 LEU A 21 -1.251 4.502 -1.697 1.00 32.42 H new ATOM 0 HD22 LEU A 21 -1.277 5.132 -0.033 1.00 32.42 H new ATOM 0 HD23 LEU A 21 -2.265 5.908 -1.293 1.00 32.42 H new ATOM 335 N ILE A 22 -0.951 10.739 -0.167 1.00 4.11 N ATOM 336 CA ILE A 22 -0.877 11.947 0.663 1.00 25.50 C ATOM 337 C ILE A 22 -2.264 12.590 0.864 1.00 3.02 C ATOM 338 O ILE A 22 -2.620 12.970 1.980 1.00 23.00 O ATOM 339 CB ILE A 22 0.105 12.993 0.062 1.00 1.12 C ATOM 340 CG1 ILE A 22 1.523 12.400 -0.030 1.00 24.12 C ATOM 341 CG2 ILE A 22 0.113 14.274 0.897 1.00 45.14 C ATOM 342 CD1 ILE A 22 2.549 13.340 -0.632 1.00 52.41 C ATOM 0 H ILE A 22 -0.544 10.842 -1.097 1.00 4.11 H new ATOM 0 HA ILE A 22 -0.500 11.632 1.636 1.00 25.50 H new ATOM 0 HB ILE A 22 -0.234 13.246 -0.942 1.00 1.12 H new ATOM 0 HG12 ILE A 22 1.851 12.113 0.969 1.00 24.12 H new ATOM 0 HG13 ILE A 22 1.486 11.489 -0.627 1.00 24.12 H new ATOM 0 HG21 ILE A 22 0.807 14.991 0.457 1.00 45.14 H new ATOM 0 HG22 ILE A 22 -0.889 14.703 0.915 1.00 45.14 H new ATOM 0 HG23 ILE A 22 0.427 14.043 1.915 1.00 45.14 H new ATOM 0 HD11 ILE A 22 3.521 12.847 -0.661 1.00 52.41 H new ATOM 0 HD12 ILE A 22 2.247 13.608 -1.645 1.00 52.41 H new ATOM 0 HD13 ILE A 22 2.618 14.242 -0.023 1.00 52.41 H new ATOM 354 N THR A 23 -3.055 12.695 -0.210 1.00 52.21 N ATOM 355 CA THR A 23 -4.395 13.313 -0.117 1.00 73.03 C ATOM 356 C THR A 23 -5.324 12.535 0.830 1.00 14.35 C ATOM 357 O THR A 23 -6.141 13.126 1.538 1.00 70.45 O ATOM 358 CB THR A 23 -5.085 13.458 -1.500 1.00 43.00 C ATOM 359 OG1 THR A 23 -6.375 14.074 -1.348 1.00 62.51 O ATOM 360 CG2 THR A 23 -5.255 12.111 -2.193 1.00 31.15 C ATOM 0 H THR A 23 -2.802 12.368 -1.142 1.00 52.21 H new ATOM 0 HA THR A 23 -4.224 14.310 0.289 1.00 73.03 H new ATOM 0 HB THR A 23 -4.441 14.084 -2.118 1.00 43.00 H new ATOM 0 HG1 THR A 23 -6.801 14.162 -2.226 1.00 62.51 H new ATOM 0 HG21 THR A 23 -5.742 12.257 -3.157 1.00 31.15 H new ATOM 0 HG22 THR A 23 -4.277 11.654 -2.345 1.00 31.15 H new ATOM 0 HG23 THR A 23 -5.868 11.457 -1.572 1.00 31.15 H new ATOM 368 N LEU A 24 -5.181 11.207 0.857 1.00 74.04 N ATOM 369 CA LEU A 24 -5.968 10.358 1.769 1.00 55.52 C ATOM 370 C LEU A 24 -5.402 10.373 3.201 1.00 52.12 C ATOM 371 O LEU A 24 -5.932 9.709 4.092 1.00 54.22 O ATOM 372 CB LEU A 24 -6.024 8.920 1.233 1.00 65.35 C ATOM 373 CG LEU A 24 -6.810 8.748 -0.079 1.00 11.02 C ATOM 374 CD1 LEU A 24 -6.700 7.316 -0.595 1.00 61.10 C ATOM 375 CD2 LEU A 24 -8.279 9.136 0.111 1.00 44.44 C ATOM 0 H LEU A 24 -4.531 10.694 0.262 1.00 74.04 H new ATOM 0 HA LEU A 24 -6.977 10.767 1.813 1.00 55.52 H new ATOM 0 HB2 LEU A 24 -5.005 8.565 1.078 1.00 65.35 H new ATOM 0 HB3 LEU A 24 -6.472 8.281 1.994 1.00 65.35 H new ATOM 0 HG LEU A 24 -6.372 9.415 -0.822 1.00 11.02 H new ATOM 0 HD11 LEU A 24 -7.264 7.219 -1.523 1.00 61.10 H new ATOM 0 HD12 LEU A 24 -5.653 7.075 -0.780 1.00 61.10 H new ATOM 0 HD13 LEU A 24 -7.105 6.629 0.148 1.00 61.10 H new ATOM 0 HD21 LEU A 24 -8.814 9.006 -0.830 1.00 44.44 H new ATOM 0 HD22 LEU A 24 -8.727 8.500 0.874 1.00 44.44 H new ATOM 0 HD23 LEU A 24 -8.343 10.178 0.424 1.00 44.44 H new ATOM 387 N GLY A 25 -4.319 11.125 3.409 1.00 51.11 N ATOM 388 CA GLY A 25 -3.739 11.276 4.742 1.00 14.43 C ATOM 389 C GLY A 25 -3.119 9.996 5.298 1.00 53.03 C ATOM 390 O GLY A 25 -2.980 9.846 6.514 1.00 51.23 O ATOM 0 H GLY A 25 -3.829 11.636 2.675 1.00 51.11 H new ATOM 0 HA2 GLY A 25 -2.975 12.053 4.709 1.00 14.43 H new ATOM 0 HA3 GLY A 25 -4.514 11.620 5.427 1.00 14.43 H new ATOM 394 N VAL A 26 -2.741 9.069 4.416 1.00 45.22 N ATOM 395 CA VAL A 26 -2.128 7.803 4.843 1.00 12.31 C ATOM 396 C VAL A 26 -0.601 7.834 4.698 1.00 62.53 C ATOM 397 O VAL A 26 0.108 7.016 5.287 1.00 24.01 O ATOM 398 CB VAL A 26 -2.701 6.602 4.050 1.00 23.52 C ATOM 399 CG1 VAL A 26 -4.220 6.573 4.165 1.00 23.44 C ATOM 400 CG2 VAL A 26 -2.260 6.637 2.587 1.00 71.33 C ATOM 0 H VAL A 26 -2.846 9.167 3.406 1.00 45.22 H new ATOM 0 HA VAL A 26 -2.373 7.678 5.898 1.00 12.31 H new ATOM 0 HB VAL A 26 -2.303 5.685 4.485 1.00 23.52 H new ATOM 0 HG11 VAL A 26 -4.611 5.725 3.604 1.00 23.44 H new ATOM 0 HG12 VAL A 26 -4.504 6.477 5.213 1.00 23.44 H new ATOM 0 HG13 VAL A 26 -4.633 7.497 3.761 1.00 23.44 H new ATOM 0 HG21 VAL A 26 -2.680 5.780 2.060 1.00 71.33 H new ATOM 0 HG22 VAL A 26 -2.613 7.558 2.122 1.00 71.33 H new ATOM 0 HG23 VAL A 26 -1.172 6.598 2.534 1.00 71.33 H new ATOM 410 N LEU A 27 -0.107 8.782 3.908 1.00 74.31 N ATOM 411 CA LEU A 27 1.334 8.968 3.711 1.00 70.31 C ATOM 412 C LEU A 27 1.727 10.439 3.926 1.00 3.04 C ATOM 413 O LEU A 27 1.105 11.348 3.374 1.00 23.22 O ATOM 414 CB LEU A 27 1.736 8.510 2.302 1.00 44.14 C ATOM 415 CG LEU A 27 3.227 8.665 1.953 1.00 73.52 C ATOM 416 CD1 LEU A 27 4.100 7.878 2.928 1.00 2.43 C ATOM 417 CD2 LEU A 27 3.489 8.221 0.514 1.00 3.15 C ATOM 0 H LEU A 27 -0.686 9.441 3.388 1.00 74.31 H new ATOM 0 HA LEU A 27 1.865 8.362 4.445 1.00 70.31 H new ATOM 0 HB2 LEU A 27 1.462 7.461 2.188 1.00 44.14 H new ATOM 0 HB3 LEU A 27 1.151 9.073 1.575 1.00 44.14 H new ATOM 0 HG LEU A 27 3.489 9.719 2.042 1.00 73.52 H new ATOM 0 HD11 LEU A 27 5.149 8.004 2.660 1.00 2.43 H new ATOM 0 HD12 LEU A 27 3.938 8.247 3.941 1.00 2.43 H new ATOM 0 HD13 LEU A 27 3.837 6.821 2.880 1.00 2.43 H new ATOM 0 HD21 LEU A 27 4.548 8.337 0.284 1.00 3.15 H new ATOM 0 HD22 LEU A 27 3.206 7.175 0.399 1.00 3.15 H new ATOM 0 HD23 LEU A 27 2.900 8.834 -0.169 1.00 3.15 H new ATOM 429 N GLU A 28 2.757 10.663 4.737 1.00 74.21 N ATOM 430 CA GLU A 28 3.231 12.019 5.029 1.00 52.12 C ATOM 431 C GLU A 28 4.031 12.610 3.854 1.00 55.14 C ATOM 432 O GLU A 28 4.602 11.881 3.041 1.00 64.01 O ATOM 433 CB GLU A 28 4.084 12.011 6.307 1.00 12.32 C ATOM 434 CG GLU A 28 5.300 11.091 6.235 1.00 50.04 C ATOM 435 CD GLU A 28 6.103 11.076 7.527 1.00 40.13 C ATOM 436 OE1 GLU A 28 7.017 11.916 7.675 1.00 4.12 O ATOM 437 OE2 GLU A 28 5.818 10.236 8.405 1.00 74.10 O ATOM 0 H GLU A 28 3.282 9.925 5.206 1.00 74.21 H new ATOM 0 HA GLU A 28 2.358 12.654 5.181 1.00 52.12 H new ATOM 0 HB2 GLU A 28 4.421 13.027 6.513 1.00 12.32 H new ATOM 0 HB3 GLU A 28 3.459 11.706 7.147 1.00 12.32 H new ATOM 0 HG2 GLU A 28 4.971 10.078 6.005 1.00 50.04 H new ATOM 0 HG3 GLU A 28 5.944 11.410 5.416 1.00 50.04 H new ATOM 444 N SER A 29 4.064 13.938 3.770 1.00 74.21 N ATOM 445 CA SER A 29 4.770 14.636 2.685 1.00 43.03 C ATOM 446 C SER A 29 6.293 14.656 2.916 1.00 35.22 C ATOM 447 O SER A 29 6.758 14.869 4.039 1.00 45.21 O ATOM 448 CB SER A 29 4.246 16.073 2.548 1.00 4.55 C ATOM 449 OG SER A 29 4.948 16.791 1.541 1.00 4.02 O ATOM 0 H SER A 29 3.610 14.559 4.440 1.00 74.21 H new ATOM 0 HA SER A 29 4.577 14.088 1.763 1.00 43.03 H new ATOM 0 HB2 SER A 29 3.183 16.052 2.307 1.00 4.55 H new ATOM 0 HB3 SER A 29 4.347 16.590 3.502 1.00 4.55 H new ATOM 0 HG SER A 29 4.589 17.701 1.478 1.00 4.02 H new ATOM 455 N PRO A 30 7.089 14.436 1.849 1.00 51.31 N ATOM 456 CA PRO A 30 8.564 14.407 1.937 1.00 13.13 C ATOM 457 C PRO A 30 9.192 15.799 2.145 1.00 33.34 C ATOM 458 O PRO A 30 8.513 16.826 2.053 1.00 71.10 O ATOM 459 CB PRO A 30 8.974 13.833 0.575 1.00 54.00 C ATOM 460 CG PRO A 30 7.882 14.262 -0.345 1.00 24.25 C ATOM 461 CD PRO A 30 6.617 14.193 0.470 1.00 50.54 C ATOM 0 HA PRO A 30 8.905 13.828 2.795 1.00 13.13 H new ATOM 0 HB2 PRO A 30 9.941 14.221 0.254 1.00 54.00 H new ATOM 0 HB3 PRO A 30 9.062 12.747 0.610 1.00 54.00 H new ATOM 0 HG2 PRO A 30 8.055 15.272 -0.715 1.00 24.25 H new ATOM 0 HG3 PRO A 30 7.824 13.609 -1.216 1.00 24.25 H new ATOM 0 HD2 PRO A 30 5.893 14.944 0.154 1.00 50.54 H new ATOM 0 HD3 PRO A 30 6.130 13.222 0.376 1.00 50.54 H new ATOM 469 N LYS A 31 10.496 15.823 2.416 1.00 31.45 N ATOM 470 CA LYS A 31 11.224 17.077 2.647 1.00 52.51 C ATOM 471 C LYS A 31 11.318 17.924 1.366 1.00 60.43 C ATOM 472 O LYS A 31 11.257 19.155 1.420 1.00 22.22 O ATOM 473 CB LYS A 31 12.633 16.782 3.197 1.00 10.04 C ATOM 474 CG LYS A 31 13.510 18.022 3.394 1.00 41.42 C ATOM 475 CD LYS A 31 12.866 19.043 4.337 1.00 41.24 C ATOM 476 CE LYS A 31 12.763 18.527 5.768 1.00 61.13 C ATOM 477 NZ LYS A 31 14.094 18.393 6.411 1.00 50.42 N ATOM 0 H LYS A 31 11.075 14.986 2.482 1.00 31.45 H new ATOM 0 HA LYS A 31 10.665 17.654 3.384 1.00 52.51 H new ATOM 0 HB2 LYS A 31 12.536 16.266 4.152 1.00 10.04 H new ATOM 0 HB3 LYS A 31 13.140 16.099 2.515 1.00 10.04 H new ATOM 0 HG2 LYS A 31 14.478 17.720 3.794 1.00 41.42 H new ATOM 0 HG3 LYS A 31 13.697 18.490 2.427 1.00 41.42 H new ATOM 0 HD2 LYS A 31 13.451 19.963 4.326 1.00 41.24 H new ATOM 0 HD3 LYS A 31 11.870 19.294 3.971 1.00 41.24 H new ATOM 0 HE2 LYS A 31 12.145 19.207 6.354 1.00 61.13 H new ATOM 0 HE3 LYS A 31 12.262 17.559 5.769 1.00 61.13 H new ATOM 0 HZ1 LYS A 31 13.971 18.188 7.423 1.00 50.42 H new ATOM 0 HZ2 LYS A 31 14.620 17.617 5.961 1.00 50.42 H new ATOM 0 HZ3 LYS A 31 14.624 19.281 6.300 1.00 50.42 H new ATOM 491 N LYS A 32 11.467 17.264 0.221 1.00 11.34 N ATOM 492 CA LYS A 32 11.554 17.958 -1.071 1.00 32.04 C ATOM 493 C LYS A 32 10.837 17.171 -2.176 1.00 71.13 C ATOM 494 O LYS A 32 10.245 16.123 -1.919 1.00 12.22 O ATOM 495 CB LYS A 32 13.024 18.165 -1.459 1.00 71.20 C ATOM 496 CG LYS A 32 13.814 16.865 -1.616 1.00 65.35 C ATOM 497 CD LYS A 32 15.240 17.118 -2.110 1.00 13.53 C ATOM 498 CE LYS A 32 15.265 17.703 -3.519 1.00 73.52 C ATOM 499 NZ LYS A 32 14.732 16.751 -4.529 1.00 15.11 N ATOM 0 H LYS A 32 11.531 16.248 0.156 1.00 11.34 H new ATOM 0 HA LYS A 32 11.063 18.925 -0.965 1.00 32.04 H new ATOM 0 HB2 LYS A 32 13.067 18.720 -2.396 1.00 71.20 H new ATOM 0 HB3 LYS A 32 13.506 18.782 -0.701 1.00 71.20 H new ATOM 0 HG2 LYS A 32 13.849 16.344 -0.659 1.00 65.35 H new ATOM 0 HG3 LYS A 32 13.298 16.209 -2.318 1.00 65.35 H new ATOM 0 HD2 LYS A 32 15.744 17.800 -1.426 1.00 13.53 H new ATOM 0 HD3 LYS A 32 15.799 16.182 -2.097 1.00 13.53 H new ATOM 0 HE2 LYS A 32 14.677 18.621 -3.541 1.00 73.52 H new ATOM 0 HE3 LYS A 32 16.288 17.974 -3.781 1.00 73.52 H new ATOM 0 HZ1 LYS A 32 14.922 17.116 -5.484 1.00 15.11 H new ATOM 0 HZ2 LYS A 32 15.195 15.827 -4.413 1.00 15.11 H new ATOM 0 HZ3 LYS A 32 13.706 16.643 -4.397 1.00 15.11 H new ATOM 513 N THR A 33 10.891 17.681 -3.409 1.00 72.24 N ATOM 514 CA THR A 33 10.332 16.962 -4.559 1.00 35.54 C ATOM 515 C THR A 33 11.130 15.679 -4.833 1.00 72.33 C ATOM 516 O THR A 33 12.321 15.731 -5.148 1.00 30.20 O ATOM 517 CB THR A 33 10.307 17.840 -5.838 1.00 62.34 C ATOM 518 OG1 THR A 33 9.487 19.002 -5.618 1.00 35.40 O ATOM 519 CG2 THR A 33 9.769 17.062 -7.036 1.00 63.01 C ATOM 0 H THR A 33 11.312 18.582 -3.637 1.00 72.24 H new ATOM 0 HA THR A 33 9.304 16.706 -4.305 1.00 35.54 H new ATOM 0 HB THR A 33 11.331 18.143 -6.055 1.00 62.34 H new ATOM 0 HG1 THR A 33 9.477 19.553 -6.428 1.00 35.40 H new ATOM 0 HG21 THR A 33 9.765 17.706 -7.916 1.00 63.01 H new ATOM 0 HG22 THR A 33 10.405 16.196 -7.223 1.00 63.01 H new ATOM 0 HG23 THR A 33 8.753 16.728 -6.826 1.00 63.01 H new ATOM 527 N ILE A 34 10.465 14.536 -4.701 1.00 55.32 N ATOM 528 CA ILE A 34 11.124 13.229 -4.799 1.00 23.31 C ATOM 529 C ILE A 34 11.647 12.938 -6.214 1.00 25.23 C ATOM 530 O ILE A 34 10.916 13.058 -7.198 1.00 53.00 O ATOM 531 CB ILE A 34 10.166 12.094 -4.364 1.00 74.15 C ATOM 532 CG1 ILE A 34 9.594 12.392 -2.970 1.00 32.25 C ATOM 533 CG2 ILE A 34 10.890 10.744 -4.370 1.00 52.24 C ATOM 534 CD1 ILE A 34 8.566 11.386 -2.502 1.00 71.44 C ATOM 0 H ILE A 34 9.462 14.484 -4.524 1.00 55.32 H new ATOM 0 HA ILE A 34 11.980 13.266 -4.125 1.00 23.31 H new ATOM 0 HB ILE A 34 9.343 12.041 -5.077 1.00 74.15 H new ATOM 0 HG12 ILE A 34 10.413 12.422 -2.251 1.00 32.25 H new ATOM 0 HG13 ILE A 34 9.141 13.383 -2.978 1.00 32.25 H new ATOM 0 HG21 ILE A 34 10.199 9.959 -4.061 1.00 52.24 H new ATOM 0 HG22 ILE A 34 11.255 10.531 -5.375 1.00 52.24 H new ATOM 0 HG23 ILE A 34 11.732 10.779 -3.678 1.00 52.24 H new ATOM 0 HD11 ILE A 34 8.209 11.665 -1.510 1.00 71.44 H new ATOM 0 HD12 ILE A 34 7.728 11.372 -3.198 1.00 71.44 H new ATOM 0 HD13 ILE A 34 9.019 10.396 -2.460 1.00 71.44 H new ATOM 546 N SER A 35 12.923 12.561 -6.299 1.00 55.42 N ATOM 547 CA SER A 35 13.542 12.158 -7.569 1.00 4.51 C ATOM 548 C SER A 35 12.899 10.877 -8.114 1.00 24.34 C ATOM 549 O SER A 35 12.258 10.884 -9.171 1.00 12.40 O ATOM 550 CB SER A 35 15.051 11.939 -7.385 1.00 41.43 C ATOM 551 OG SER A 35 15.307 10.956 -6.390 1.00 70.32 O ATOM 0 H SER A 35 13.555 12.525 -5.499 1.00 55.42 H new ATOM 0 HA SER A 35 13.380 12.962 -8.287 1.00 4.51 H new ATOM 0 HB2 SER A 35 15.495 11.628 -8.331 1.00 41.43 H new ATOM 0 HB3 SER A 35 15.527 12.879 -7.104 1.00 41.43 H new ATOM 0 HG SER A 35 16.274 10.833 -6.293 1.00 70.32 H new ATOM 557 N ASP A 36 13.085 9.774 -7.393 1.00 13.20 N ATOM 558 CA ASP A 36 12.456 8.498 -7.741 1.00 61.40 C ATOM 559 C ASP A 36 11.313 8.160 -6.767 1.00 51.42 C ATOM 560 O ASP A 36 11.550 7.708 -5.644 1.00 74.14 O ATOM 561 CB ASP A 36 13.498 7.373 -7.750 1.00 24.34 C ATOM 562 CG ASP A 36 12.878 6.005 -7.988 1.00 3.22 C ATOM 563 OD1 ASP A 36 11.909 5.913 -8.767 1.00 65.13 O ATOM 564 OD2 ASP A 36 13.360 5.015 -7.399 1.00 42.21 O ATOM 0 H ASP A 36 13.670 9.737 -6.558 1.00 13.20 H new ATOM 0 HA ASP A 36 12.032 8.593 -8.741 1.00 61.40 H new ATOM 0 HB2 ASP A 36 14.237 7.573 -8.526 1.00 24.34 H new ATOM 0 HB3 ASP A 36 14.029 7.367 -6.798 1.00 24.34 H new ATOM 569 N PRO A 37 10.052 8.396 -7.178 1.00 53.35 N ATOM 570 CA PRO A 37 8.881 8.050 -6.361 1.00 10.22 C ATOM 571 C PRO A 37 8.620 6.532 -6.304 1.00 42.25 C ATOM 572 O PRO A 37 7.986 6.041 -5.368 1.00 64.02 O ATOM 573 CB PRO A 37 7.731 8.783 -7.065 1.00 24.43 C ATOM 574 CG PRO A 37 8.170 8.908 -8.485 1.00 13.00 C ATOM 575 CD PRO A 37 9.670 9.036 -8.455 1.00 61.14 C ATOM 0 HA PRO A 37 9.011 8.340 -5.318 1.00 10.22 H new ATOM 0 HB2 PRO A 37 6.799 8.223 -6.987 1.00 24.43 H new ATOM 0 HB3 PRO A 37 7.554 9.761 -6.618 1.00 24.43 H new ATOM 0 HG2 PRO A 37 7.866 8.036 -9.064 1.00 13.00 H new ATOM 0 HG3 PRO A 37 7.715 9.779 -8.957 1.00 13.00 H new ATOM 0 HD2 PRO A 37 10.131 8.536 -9.307 1.00 61.14 H new ATOM 0 HD3 PRO A 37 9.983 10.079 -8.489 1.00 61.14 H new ATOM 583 N GLU A 38 9.128 5.794 -7.295 1.00 0.35 N ATOM 584 CA GLU A 38 8.936 4.337 -7.359 1.00 75.42 C ATOM 585 C GLU A 38 9.664 3.628 -6.204 1.00 52.32 C ATOM 586 O GLU A 38 9.045 2.911 -5.411 1.00 21.03 O ATOM 587 CB GLU A 38 9.421 3.801 -8.716 1.00 60.23 C ATOM 588 CG GLU A 38 8.623 4.344 -9.902 1.00 72.45 C ATOM 589 CD GLU A 38 9.182 3.928 -11.255 1.00 4.44 C ATOM 590 OE1 GLU A 38 9.145 2.719 -11.578 1.00 12.45 O ATOM 591 OE2 GLU A 38 9.638 4.810 -12.013 1.00 44.31 O ATOM 0 H GLU A 38 9.675 6.178 -8.065 1.00 0.35 H new ATOM 0 HA GLU A 38 7.871 4.127 -7.257 1.00 75.42 H new ATOM 0 HB2 GLU A 38 10.472 4.059 -8.846 1.00 60.23 H new ATOM 0 HB3 GLU A 38 9.358 2.713 -8.712 1.00 60.23 H new ATOM 0 HG2 GLU A 38 7.592 4.000 -9.823 1.00 72.45 H new ATOM 0 HG3 GLU A 38 8.601 5.432 -9.847 1.00 72.45 H new ATOM 598 N GLY A 39 10.975 3.844 -6.105 1.00 74.14 N ATOM 599 CA GLY A 39 11.745 3.295 -4.991 1.00 60.25 C ATOM 600 C GLY A 39 11.283 3.833 -3.638 1.00 61.12 C ATOM 601 O GLY A 39 11.318 3.126 -2.626 1.00 35.43 O ATOM 0 H GLY A 39 11.520 4.388 -6.774 1.00 74.14 H new ATOM 0 HA2 GLY A 39 11.659 2.208 -4.995 1.00 60.25 H new ATOM 0 HA3 GLY A 39 12.800 3.532 -5.131 1.00 60.25 H new ATOM 605 N PHE A 40 10.848 5.096 -3.626 1.00 51.54 N ATOM 606 CA PHE A 40 10.302 5.727 -2.419 1.00 70.23 C ATOM 607 C PHE A 40 9.081 4.959 -1.884 1.00 3.53 C ATOM 608 O PHE A 40 9.004 4.650 -0.689 1.00 21.14 O ATOM 609 CB PHE A 40 9.918 7.183 -2.719 1.00 32.24 C ATOM 610 CG PHE A 40 9.174 7.867 -1.595 1.00 3.40 C ATOM 611 CD1 PHE A 40 9.860 8.395 -0.511 1.00 24.40 C ATOM 612 CD2 PHE A 40 7.789 7.983 -1.628 1.00 2.51 C ATOM 613 CE1 PHE A 40 9.182 9.022 0.517 1.00 31.34 C ATOM 614 CE2 PHE A 40 7.109 8.610 -0.603 1.00 61.23 C ATOM 615 CZ PHE A 40 7.806 9.131 0.470 1.00 62.43 C ATOM 0 H PHE A 40 10.863 5.706 -4.444 1.00 51.54 H new ATOM 0 HA PHE A 40 11.073 5.705 -1.649 1.00 70.23 H new ATOM 0 HB2 PHE A 40 10.823 7.749 -2.939 1.00 32.24 H new ATOM 0 HB3 PHE A 40 9.301 7.207 -3.617 1.00 32.24 H new ATOM 0 HD1 PHE A 40 10.936 8.315 -0.470 1.00 24.40 H new ATOM 0 HD2 PHE A 40 7.239 7.578 -2.465 1.00 2.51 H new ATOM 0 HE1 PHE A 40 9.728 9.427 1.357 1.00 31.34 H new ATOM 0 HE2 PHE A 40 6.033 8.693 -0.640 1.00 61.23 H new ATOM 0 HZ PHE A 40 7.275 9.623 1.272 1.00 62.43 H new ATOM 625 N LEU A 41 8.126 4.665 -2.767 1.00 4.14 N ATOM 626 CA LEU A 41 6.917 3.920 -2.388 1.00 11.04 C ATOM 627 C LEU A 41 7.264 2.561 -1.765 1.00 12.21 C ATOM 628 O LEU A 41 6.749 2.211 -0.705 1.00 14.12 O ATOM 629 CB LEU A 41 6.000 3.722 -3.603 1.00 13.21 C ATOM 630 CG LEU A 41 5.331 4.999 -4.135 1.00 4.54 C ATOM 631 CD1 LEU A 41 4.521 4.702 -5.395 1.00 74.43 C ATOM 632 CD2 LEU A 41 4.448 5.631 -3.060 1.00 54.31 C ATOM 0 H LEU A 41 8.163 4.930 -3.751 1.00 4.14 H new ATOM 0 HA LEU A 41 6.391 4.511 -1.638 1.00 11.04 H new ATOM 0 HB2 LEU A 41 6.583 3.274 -4.408 1.00 13.21 H new ATOM 0 HB3 LEU A 41 5.221 3.007 -3.337 1.00 13.21 H new ATOM 0 HG LEU A 41 6.114 5.711 -4.396 1.00 4.54 H new ATOM 0 HD11 LEU A 41 4.056 5.620 -5.754 1.00 74.43 H new ATOM 0 HD12 LEU A 41 5.181 4.304 -6.166 1.00 74.43 H new ATOM 0 HD13 LEU A 41 3.747 3.970 -5.166 1.00 74.43 H new ATOM 0 HD21 LEU A 41 3.983 6.534 -3.456 1.00 54.31 H new ATOM 0 HD22 LEU A 41 3.673 4.924 -2.764 1.00 54.31 H new ATOM 0 HD23 LEU A 41 5.057 5.887 -2.193 1.00 54.31 H new ATOM 644 N GLN A 42 8.147 1.809 -2.420 1.00 23.24 N ATOM 645 CA GLN A 42 8.571 0.495 -1.913 1.00 24.24 C ATOM 646 C GLN A 42 9.099 0.595 -0.470 1.00 75.14 C ATOM 647 O GLN A 42 8.705 -0.180 0.403 1.00 72.43 O ATOM 648 CB GLN A 42 9.636 -0.115 -2.846 1.00 31.40 C ATOM 649 CG GLN A 42 10.096 -1.528 -2.460 1.00 22.15 C ATOM 650 CD GLN A 42 11.172 -1.545 -1.381 1.00 25.43 C ATOM 651 OE1 GLN A 42 11.997 -0.643 -1.293 1.00 23.22 O ATOM 652 NE2 GLN A 42 11.170 -2.569 -0.555 1.00 11.33 N ATOM 0 H GLN A 42 8.584 2.081 -3.300 1.00 23.24 H new ATOM 0 HA GLN A 42 7.701 -0.162 -1.898 1.00 24.24 H new ATOM 0 HB2 GLN A 42 9.238 -0.142 -3.860 1.00 31.40 H new ATOM 0 HB3 GLN A 42 10.505 0.543 -2.862 1.00 31.40 H new ATOM 0 HG2 GLN A 42 9.235 -2.099 -2.112 1.00 22.15 H new ATOM 0 HG3 GLN A 42 10.476 -2.033 -3.348 1.00 22.15 H new ATOM 0 HE21 GLN A 42 10.469 -3.304 -0.655 1.00 11.33 H new ATOM 0 HE22 GLN A 42 11.869 -2.628 0.185 1.00 11.33 H new ATOM 661 N ALA A 43 9.974 1.568 -0.223 1.00 51.03 N ATOM 662 CA ALA A 43 10.565 1.763 1.110 1.00 25.21 C ATOM 663 C ALA A 43 9.527 2.233 2.148 1.00 10.12 C ATOM 664 O ALA A 43 9.693 2.013 3.350 1.00 13.14 O ATOM 665 CB ALA A 43 11.717 2.759 1.031 1.00 42.11 C ATOM 0 H ALA A 43 10.293 2.236 -0.925 1.00 51.03 H new ATOM 0 HA ALA A 43 10.940 0.795 1.443 1.00 25.21 H new ATOM 0 HB1 ALA A 43 12.148 2.897 2.023 1.00 42.11 H new ATOM 0 HB2 ALA A 43 12.481 2.379 0.353 1.00 42.11 H new ATOM 0 HB3 ALA A 43 11.347 3.715 0.661 1.00 42.11 H new ATOM 671 N SER A 44 8.468 2.896 1.686 1.00 1.54 N ATOM 672 CA SER A 44 7.416 3.408 2.585 1.00 64.25 C ATOM 673 C SER A 44 6.342 2.351 2.878 1.00 40.13 C ATOM 674 O SER A 44 5.791 2.301 3.978 1.00 4.34 O ATOM 675 CB SER A 44 6.747 4.650 1.982 1.00 35.20 C ATOM 676 OG SER A 44 5.741 5.170 2.840 1.00 1.41 O ATOM 0 H SER A 44 8.309 3.095 0.698 1.00 1.54 H new ATOM 0 HA SER A 44 7.905 3.669 3.524 1.00 64.25 H new ATOM 0 HB2 SER A 44 7.500 5.416 1.797 1.00 35.20 H new ATOM 0 HB3 SER A 44 6.308 4.395 1.018 1.00 35.20 H new ATOM 0 HG SER A 44 6.041 6.024 3.216 1.00 1.41 H new ATOM 682 N LEU A 45 6.042 1.516 1.888 1.00 71.21 N ATOM 683 CA LEU A 45 4.990 0.499 2.019 1.00 5.20 C ATOM 684 C LEU A 45 5.549 -0.829 2.555 1.00 50.43 C ATOM 685 O LEU A 45 4.796 -1.764 2.826 1.00 35.21 O ATOM 686 CB LEU A 45 4.315 0.273 0.658 1.00 24.00 C ATOM 687 CG LEU A 45 3.750 1.535 -0.015 1.00 50.52 C ATOM 688 CD1 LEU A 45 3.157 1.203 -1.381 1.00 75.22 C ATOM 689 CD2 LEU A 45 2.709 2.206 0.879 1.00 51.51 C ATOM 0 H LEU A 45 6.511 1.519 0.982 1.00 71.21 H new ATOM 0 HA LEU A 45 4.256 0.864 2.737 1.00 5.20 H new ATOM 0 HB2 LEU A 45 5.039 -0.185 -0.016 1.00 24.00 H new ATOM 0 HB3 LEU A 45 3.504 -0.443 0.788 1.00 24.00 H new ATOM 0 HG LEU A 45 4.572 2.235 -0.164 1.00 50.52 H new ATOM 0 HD11 LEU A 45 2.764 2.111 -1.837 1.00 75.22 H new ATOM 0 HD12 LEU A 45 3.932 0.781 -2.021 1.00 75.22 H new ATOM 0 HD13 LEU A 45 2.351 0.479 -1.262 1.00 75.22 H new ATOM 0 HD21 LEU A 45 2.323 3.096 0.383 1.00 51.51 H new ATOM 0 HD22 LEU A 45 1.890 1.512 1.068 1.00 51.51 H new ATOM 0 HD23 LEU A 45 3.170 2.489 1.825 1.00 51.51 H new ATOM 701 N LYS A 46 6.872 -0.884 2.714 1.00 73.01 N ATOM 702 CA LYS A 46 7.588 -2.081 3.190 1.00 44.34 C ATOM 703 C LYS A 46 6.894 -2.763 4.388 1.00 41.23 C ATOM 704 O LYS A 46 6.568 -3.949 4.340 1.00 41.32 O ATOM 705 CB LYS A 46 9.013 -1.677 3.594 1.00 14.52 C ATOM 706 CG LYS A 46 9.845 -2.812 4.185 1.00 14.32 C ATOM 707 CD LYS A 46 11.118 -2.284 4.840 1.00 13.32 C ATOM 708 CE LYS A 46 11.888 -3.384 5.557 1.00 55.04 C ATOM 709 NZ LYS A 46 13.006 -2.832 6.363 1.00 50.30 N ATOM 0 H LYS A 46 7.487 -0.095 2.516 1.00 73.01 H new ATOM 0 HA LYS A 46 7.596 -2.803 2.373 1.00 44.34 H new ATOM 0 HB2 LYS A 46 9.528 -1.283 2.718 1.00 14.52 H new ATOM 0 HB3 LYS A 46 8.956 -0.867 4.322 1.00 14.52 H new ATOM 0 HG2 LYS A 46 9.253 -3.354 4.922 1.00 14.32 H new ATOM 0 HG3 LYS A 46 10.105 -3.522 3.400 1.00 14.32 H new ATOM 0 HD2 LYS A 46 11.755 -1.831 4.081 1.00 13.32 H new ATOM 0 HD3 LYS A 46 10.861 -1.499 5.551 1.00 13.32 H new ATOM 0 HE2 LYS A 46 11.211 -3.940 6.206 1.00 55.04 H new ATOM 0 HE3 LYS A 46 12.280 -4.091 4.826 1.00 55.04 H new ATOM 0 HZ1 LYS A 46 13.509 -3.609 6.837 1.00 50.30 H new ATOM 0 HZ2 LYS A 46 13.665 -2.323 5.740 1.00 50.30 H new ATOM 0 HZ3 LYS A 46 12.629 -2.177 7.077 1.00 50.30 H new ATOM 723 N ASP A 47 6.686 -2.003 5.462 1.00 3.13 N ATOM 724 CA ASP A 47 6.110 -2.543 6.702 1.00 14.22 C ATOM 725 C ASP A 47 4.584 -2.752 6.616 1.00 21.33 C ATOM 726 O ASP A 47 3.960 -3.189 7.582 1.00 42.03 O ATOM 727 CB ASP A 47 6.452 -1.615 7.871 1.00 34.52 C ATOM 728 CG ASP A 47 7.951 -1.504 8.091 1.00 52.43 C ATOM 729 OD1 ASP A 47 8.607 -0.710 7.381 1.00 32.53 O ATOM 730 OD2 ASP A 47 8.483 -2.211 8.971 1.00 74.34 O ATOM 0 H ASP A 47 6.907 -1.008 5.503 1.00 3.13 H new ATOM 0 HA ASP A 47 6.550 -3.528 6.862 1.00 14.22 H new ATOM 0 HB2 ASP A 47 6.039 -0.624 7.680 1.00 34.52 H new ATOM 0 HB3 ASP A 47 5.979 -1.987 8.780 1.00 34.52 H new ATOM 735 N GLY A 48 3.987 -2.421 5.471 1.00 33.12 N ATOM 736 CA GLY A 48 2.556 -2.654 5.264 1.00 10.32 C ATOM 737 C GLY A 48 1.633 -1.637 5.951 1.00 74.22 C ATOM 738 O GLY A 48 0.552 -1.338 5.440 1.00 71.55 O ATOM 0 H GLY A 48 4.466 -1.994 4.678 1.00 33.12 H new ATOM 0 HA2 GLY A 48 2.352 -2.644 4.193 1.00 10.32 H new ATOM 0 HA3 GLY A 48 2.308 -3.652 5.627 1.00 10.32 H new ATOM 742 N VAL A 49 2.062 -1.103 7.100 1.00 51.21 N ATOM 743 CA VAL A 49 1.243 -0.177 7.911 1.00 55.42 C ATOM 744 C VAL A 49 0.556 0.918 7.068 1.00 34.13 C ATOM 745 O VAL A 49 -0.637 1.189 7.239 1.00 51.53 O ATOM 746 CB VAL A 49 2.097 0.500 9.015 1.00 63.21 C ATOM 747 CG1 VAL A 49 1.232 1.392 9.910 1.00 63.22 C ATOM 748 CG2 VAL A 49 2.837 -0.550 9.846 1.00 2.42 C ATOM 0 H VAL A 49 2.981 -1.295 7.498 1.00 51.21 H new ATOM 0 HA VAL A 49 0.464 -0.791 8.364 1.00 55.42 H new ATOM 0 HB VAL A 49 2.838 1.134 8.527 1.00 63.21 H new ATOM 0 HG11 VAL A 49 1.856 1.854 10.675 1.00 63.22 H new ATOM 0 HG12 VAL A 49 0.764 2.169 9.306 1.00 63.22 H new ATOM 0 HG13 VAL A 49 0.460 0.789 10.387 1.00 63.22 H new ATOM 0 HG21 VAL A 49 3.430 -0.054 10.614 1.00 2.42 H new ATOM 0 HG22 VAL A 49 2.114 -1.216 10.318 1.00 2.42 H new ATOM 0 HG23 VAL A 49 3.495 -1.130 9.198 1.00 2.42 H new ATOM 758 N VAL A 50 1.304 1.544 6.158 1.00 50.31 N ATOM 759 CA VAL A 50 0.745 2.589 5.284 1.00 62.23 C ATOM 760 C VAL A 50 -0.419 2.046 4.430 1.00 41.41 C ATOM 761 O VAL A 50 -1.450 2.706 4.271 1.00 33.21 O ATOM 762 CB VAL A 50 1.826 3.195 4.354 1.00 32.30 C ATOM 763 CG1 VAL A 50 1.240 4.312 3.485 1.00 74.22 C ATOM 764 CG2 VAL A 50 3.014 3.709 5.167 1.00 40.22 C ATOM 0 H VAL A 50 2.294 1.351 6.004 1.00 50.31 H new ATOM 0 HA VAL A 50 0.367 3.374 5.940 1.00 62.23 H new ATOM 0 HB VAL A 50 2.181 2.405 3.692 1.00 32.30 H new ATOM 0 HG11 VAL A 50 2.020 4.720 2.842 1.00 74.22 H new ATOM 0 HG12 VAL A 50 0.435 3.910 2.869 1.00 74.22 H new ATOM 0 HG13 VAL A 50 0.847 5.102 4.125 1.00 74.22 H new ATOM 0 HG21 VAL A 50 3.761 4.130 4.494 1.00 40.22 H new ATOM 0 HG22 VAL A 50 2.675 4.479 5.860 1.00 40.22 H new ATOM 0 HG23 VAL A 50 3.455 2.885 5.728 1.00 40.22 H new ATOM 774 N LEU A 51 -0.254 0.832 3.900 1.00 73.13 N ATOM 775 CA LEU A 51 -1.305 0.181 3.105 1.00 53.13 C ATOM 776 C LEU A 51 -2.560 -0.075 3.953 1.00 25.40 C ATOM 777 O LEU A 51 -3.686 0.110 3.489 1.00 50.01 O ATOM 778 CB LEU A 51 -0.796 -1.146 2.523 1.00 21.32 C ATOM 779 CG LEU A 51 0.349 -1.031 1.505 1.00 5.44 C ATOM 780 CD1 LEU A 51 0.826 -2.415 1.074 1.00 33.44 C ATOM 781 CD2 LEU A 51 -0.086 -0.208 0.294 1.00 72.43 C ATOM 0 H LEU A 51 0.596 0.278 4.005 1.00 73.13 H new ATOM 0 HA LEU A 51 -1.568 0.853 2.288 1.00 53.13 H new ATOM 0 HB2 LEU A 51 -0.464 -1.779 3.346 1.00 21.32 H new ATOM 0 HB3 LEU A 51 -1.632 -1.657 2.046 1.00 21.32 H new ATOM 0 HG LEU A 51 1.182 -0.517 1.984 1.00 5.44 H new ATOM 0 HD11 LEU A 51 1.637 -2.312 0.353 1.00 33.44 H new ATOM 0 HD12 LEU A 51 1.182 -2.965 1.945 1.00 33.44 H new ATOM 0 HD13 LEU A 51 -0.000 -2.958 0.615 1.00 33.44 H new ATOM 0 HD21 LEU A 51 0.739 -0.139 -0.414 1.00 72.43 H new ATOM 0 HD22 LEU A 51 -0.937 -0.690 -0.187 1.00 72.43 H new ATOM 0 HD23 LEU A 51 -0.371 0.793 0.618 1.00 72.43 H new ATOM 793 N CYS A 52 -2.355 -0.504 5.197 1.00 44.04 N ATOM 794 CA CYS A 52 -3.464 -0.734 6.131 1.00 2.43 C ATOM 795 C CYS A 52 -4.278 0.550 6.355 1.00 74.31 C ATOM 796 O CYS A 52 -5.509 0.524 6.364 1.00 42.11 O ATOM 797 CB CYS A 52 -2.932 -1.263 7.468 1.00 53.24 C ATOM 798 SG CYS A 52 -1.930 -2.764 7.318 1.00 25.22 S ATOM 0 H CYS A 52 -1.432 -0.700 5.585 1.00 44.04 H new ATOM 0 HA CYS A 52 -4.125 -1.481 5.691 1.00 2.43 H new ATOM 0 HB2 CYS A 52 -2.334 -0.485 7.943 1.00 53.24 H new ATOM 0 HB3 CYS A 52 -3.775 -1.465 8.129 1.00 53.24 H new ATOM 0 HG CYS A 52 -0.867 -2.508 6.615 1.00 25.22 H new ATOM 804 N ARG A 53 -3.582 1.677 6.523 1.00 12.25 N ATOM 805 CA ARG A 53 -4.248 2.982 6.637 1.00 31.55 C ATOM 806 C ARG A 53 -5.046 3.286 5.359 1.00 14.54 C ATOM 807 O ARG A 53 -6.197 3.732 5.408 1.00 51.24 O ATOM 808 CB ARG A 53 -3.217 4.099 6.873 1.00 35.44 C ATOM 809 CG ARG A 53 -2.324 3.889 8.092 1.00 54.24 C ATOM 810 CD ARG A 53 -1.380 5.071 8.309 1.00 44.33 C ATOM 811 NE ARG A 53 -0.440 4.832 9.401 1.00 21.55 N ATOM 812 CZ ARG A 53 -0.699 5.056 10.662 1.00 23.30 C ATOM 813 NH1 ARG A 53 -1.845 5.525 11.035 1.00 40.15 N ATOM 814 NH2 ARG A 53 0.200 4.817 11.556 1.00 71.31 N ATOM 0 H ARG A 53 -2.564 1.715 6.583 1.00 12.25 H new ATOM 0 HA ARG A 53 -4.928 2.942 7.488 1.00 31.55 H new ATOM 0 HB2 ARG A 53 -2.587 4.187 5.988 1.00 35.44 H new ATOM 0 HB3 ARG A 53 -3.745 5.046 6.984 1.00 35.44 H new ATOM 0 HG2 ARG A 53 -2.944 3.750 8.978 1.00 54.24 H new ATOM 0 HG3 ARG A 53 -1.742 2.976 7.964 1.00 54.24 H new ATOM 0 HD2 ARG A 53 -0.826 5.265 7.391 1.00 44.33 H new ATOM 0 HD3 ARG A 53 -1.964 5.966 8.524 1.00 44.33 H new ATOM 0 HE ARG A 53 0.482 4.465 9.163 1.00 21.55 H new ATOM 0 HH11 ARG A 53 -2.564 5.726 10.340 1.00 40.15 H new ATOM 0 HH12 ARG A 53 -2.030 5.694 12.024 1.00 40.15 H new ATOM 0 HH21 ARG A 53 1.112 4.454 11.278 1.00 71.31 H new ATOM 0 HH22 ARG A 53 -0.001 4.991 12.541 1.00 71.31 H new ATOM 828 N LEU A 54 -4.413 3.033 4.215 1.00 14.40 N ATOM 829 CA LEU A 54 -5.034 3.231 2.903 1.00 70.52 C ATOM 830 C LEU A 54 -6.357 2.454 2.779 1.00 23.14 C ATOM 831 O LEU A 54 -7.373 2.998 2.334 1.00 55.30 O ATOM 832 CB LEU A 54 -4.050 2.796 1.806 1.00 62.23 C ATOM 833 CG LEU A 54 -4.531 2.975 0.358 1.00 34.13 C ATOM 834 CD1 LEU A 54 -4.848 4.439 0.065 1.00 51.22 C ATOM 835 CD2 LEU A 54 -3.484 2.441 -0.618 1.00 44.53 C ATOM 0 H LEU A 54 -3.455 2.685 4.169 1.00 14.40 H new ATOM 0 HA LEU A 54 -5.269 4.289 2.787 1.00 70.52 H new ATOM 0 HB2 LEU A 54 -3.125 3.358 1.932 1.00 62.23 H new ATOM 0 HB3 LEU A 54 -3.808 1.744 1.960 1.00 62.23 H new ATOM 0 HG LEU A 54 -5.449 2.402 0.228 1.00 34.13 H new ATOM 0 HD11 LEU A 54 -5.186 4.539 -0.966 1.00 51.22 H new ATOM 0 HD12 LEU A 54 -5.632 4.783 0.739 1.00 51.22 H new ATOM 0 HD13 LEU A 54 -3.952 5.042 0.213 1.00 51.22 H new ATOM 0 HD21 LEU A 54 -3.838 2.574 -1.640 1.00 44.53 H new ATOM 0 HD22 LEU A 54 -2.550 2.986 -0.484 1.00 44.53 H new ATOM 0 HD23 LEU A 54 -3.316 1.381 -0.427 1.00 44.53 H new ATOM 847 N LEU A 55 -6.342 1.188 3.192 1.00 52.21 N ATOM 848 CA LEU A 55 -7.536 0.342 3.127 1.00 11.25 C ATOM 849 C LEU A 55 -8.631 0.835 4.093 1.00 53.01 C ATOM 850 O LEU A 55 -9.814 0.721 3.798 1.00 72.25 O ATOM 851 CB LEU A 55 -7.175 -1.123 3.418 1.00 1.34 C ATOM 852 CG LEU A 55 -8.308 -2.139 3.183 1.00 11.41 C ATOM 853 CD1 LEU A 55 -8.823 -2.055 1.746 1.00 33.41 C ATOM 854 CD2 LEU A 55 -7.836 -3.557 3.499 1.00 63.12 C ATOM 0 H LEU A 55 -5.518 0.724 3.575 1.00 52.21 H new ATOM 0 HA LEU A 55 -7.935 0.408 2.115 1.00 11.25 H new ATOM 0 HB2 LEU A 55 -6.325 -1.401 2.795 1.00 1.34 H new ATOM 0 HB3 LEU A 55 -6.849 -1.201 4.455 1.00 1.34 H new ATOM 0 HG LEU A 55 -9.129 -1.891 3.856 1.00 11.41 H new ATOM 0 HD11 LEU A 55 -9.623 -2.782 1.603 1.00 33.41 H new ATOM 0 HD12 LEU A 55 -9.205 -1.052 1.554 1.00 33.41 H new ATOM 0 HD13 LEU A 55 -8.009 -2.271 1.054 1.00 33.41 H new ATOM 0 HD21 LEU A 55 -8.652 -4.259 3.326 1.00 63.12 H new ATOM 0 HD22 LEU A 55 -6.995 -3.813 2.855 1.00 63.12 H new ATOM 0 HD23 LEU A 55 -7.524 -3.613 4.542 1.00 63.12 H new ATOM 866 N GLU A 56 -8.232 1.397 5.236 1.00 24.22 N ATOM 867 CA GLU A 56 -9.192 1.976 6.194 1.00 71.45 C ATOM 868 C GLU A 56 -9.803 3.291 5.676 1.00 22.22 C ATOM 869 O GLU A 56 -10.867 3.712 6.132 1.00 23.01 O ATOM 870 CB GLU A 56 -8.525 2.213 7.558 1.00 0.13 C ATOM 871 CG GLU A 56 -8.310 0.940 8.369 1.00 4.12 C ATOM 872 CD GLU A 56 -9.618 0.259 8.748 1.00 32.40 C ATOM 873 OE1 GLU A 56 -10.277 0.720 9.707 1.00 32.15 O ATOM 874 OE2 GLU A 56 -10.003 -0.732 8.093 1.00 40.14 O ATOM 0 H GLU A 56 -7.256 1.466 5.525 1.00 24.22 H new ATOM 0 HA GLU A 56 -10.000 1.253 6.310 1.00 71.45 H new ATOM 0 HB2 GLU A 56 -7.562 2.699 7.401 1.00 0.13 H new ATOM 0 HB3 GLU A 56 -9.140 2.902 8.137 1.00 0.13 H new ATOM 0 HG2 GLU A 56 -7.697 0.246 7.794 1.00 4.12 H new ATOM 0 HG3 GLU A 56 -7.754 1.181 9.275 1.00 4.12 H new ATOM 881 N ARG A 57 -9.117 3.949 4.745 1.00 23.11 N ATOM 882 CA ARG A 57 -9.652 5.161 4.106 1.00 21.31 C ATOM 883 C ARG A 57 -10.728 4.830 3.061 1.00 32.24 C ATOM 884 O ARG A 57 -11.746 5.517 2.960 1.00 0.14 O ATOM 885 CB ARG A 57 -8.523 5.969 3.447 1.00 74.21 C ATOM 886 CG ARG A 57 -7.672 6.764 4.431 1.00 14.50 C ATOM 887 CD ARG A 57 -8.504 7.797 5.185 1.00 20.21 C ATOM 888 NE ARG A 57 -9.330 8.600 4.282 1.00 3.45 N ATOM 889 CZ ARG A 57 -9.501 9.888 4.383 1.00 33.34 C ATOM 890 NH1 ARG A 57 -8.897 10.568 5.306 1.00 53.32 N ATOM 891 NH2 ARG A 57 -10.282 10.489 3.547 1.00 74.21 N ATOM 0 H ARG A 57 -8.194 3.670 4.414 1.00 23.11 H new ATOM 0 HA ARG A 57 -10.115 5.759 4.891 1.00 21.31 H new ATOM 0 HB2 ARG A 57 -7.878 5.287 2.893 1.00 74.21 H new ATOM 0 HB3 ARG A 57 -8.958 6.656 2.721 1.00 74.21 H new ATOM 0 HG2 ARG A 57 -7.205 6.083 5.142 1.00 14.50 H new ATOM 0 HG3 ARG A 57 -6.867 7.266 3.894 1.00 14.50 H new ATOM 0 HD2 ARG A 57 -9.144 7.290 5.907 1.00 20.21 H new ATOM 0 HD3 ARG A 57 -7.842 8.453 5.751 1.00 20.21 H new ATOM 0 HE ARG A 57 -9.805 8.117 3.520 1.00 3.45 H new ATOM 0 HH11 ARG A 57 -8.278 10.096 5.965 1.00 53.32 H new ATOM 0 HH12 ARG A 57 -9.040 11.576 5.373 1.00 53.32 H new ATOM 0 HH21 ARG A 57 -10.756 9.956 2.818 1.00 74.21 H new ATOM 0 HH22 ARG A 57 -10.424 11.497 3.616 1.00 74.21 H new ATOM 905 N LEU A 58 -10.486 3.784 2.276 1.00 43.13 N ATOM 906 CA LEU A 58 -11.413 3.374 1.214 1.00 65.22 C ATOM 907 C LEU A 58 -12.488 2.399 1.739 1.00 20.02 C ATOM 908 O LEU A 58 -13.667 2.515 1.406 1.00 0.03 O ATOM 909 CB LEU A 58 -10.621 2.732 0.067 1.00 21.44 C ATOM 910 CG LEU A 58 -9.491 3.608 -0.508 1.00 55.44 C ATOM 911 CD1 LEU A 58 -8.687 2.841 -1.554 1.00 53.12 C ATOM 912 CD2 LEU A 58 -10.054 4.901 -1.098 1.00 13.14 C ATOM 0 H LEU A 58 -9.653 3.200 2.352 1.00 43.13 H new ATOM 0 HA LEU A 58 -11.932 4.261 0.850 1.00 65.22 H new ATOM 0 HB2 LEU A 58 -10.191 1.795 0.421 1.00 21.44 H new ATOM 0 HB3 LEU A 58 -11.312 2.481 -0.737 1.00 21.44 H new ATOM 0 HG LEU A 58 -8.819 3.871 0.309 1.00 55.44 H new ATOM 0 HD11 LEU A 58 -7.895 3.480 -1.945 1.00 53.12 H new ATOM 0 HD12 LEU A 58 -8.246 1.956 -1.096 1.00 53.12 H new ATOM 0 HD13 LEU A 58 -9.345 2.539 -2.369 1.00 53.12 H new ATOM 0 HD21 LEU A 58 -9.239 5.504 -1.498 1.00 13.14 H new ATOM 0 HD22 LEU A 58 -10.754 4.661 -1.898 1.00 13.14 H new ATOM 0 HD23 LEU A 58 -10.571 5.461 -0.319 1.00 13.14 H new ATOM 924 N LEU A 59 -12.065 1.439 2.560 1.00 42.42 N ATOM 925 CA LEU A 59 -12.975 0.454 3.175 1.00 12.04 C ATOM 926 C LEU A 59 -12.795 0.406 4.710 1.00 1.23 C ATOM 927 O LEU A 59 -12.160 -0.508 5.242 1.00 75.11 O ATOM 928 CB LEU A 59 -12.730 -0.942 2.571 1.00 41.43 C ATOM 929 CG LEU A 59 -13.029 -1.078 1.069 1.00 62.11 C ATOM 930 CD1 LEU A 59 -12.617 -2.457 0.560 1.00 3.44 C ATOM 931 CD2 LEU A 59 -14.509 -0.826 0.790 1.00 10.31 C ATOM 0 H LEU A 59 -11.087 1.316 2.822 1.00 42.42 H new ATOM 0 HA LEU A 59 -13.999 0.763 2.964 1.00 12.04 H new ATOM 0 HB2 LEU A 59 -11.689 -1.214 2.742 1.00 41.43 H new ATOM 0 HB3 LEU A 59 -13.341 -1.664 3.112 1.00 41.43 H new ATOM 0 HG LEU A 59 -12.446 -0.327 0.536 1.00 62.11 H new ATOM 0 HD11 LEU A 59 -12.837 -2.532 -0.505 1.00 3.44 H new ATOM 0 HD12 LEU A 59 -11.548 -2.600 0.721 1.00 3.44 H new ATOM 0 HD13 LEU A 59 -13.171 -3.225 1.100 1.00 3.44 H new ATOM 0 HD21 LEU A 59 -14.700 -0.927 -0.278 1.00 10.31 H new ATOM 0 HD22 LEU A 59 -15.111 -1.552 1.337 1.00 10.31 H new ATOM 0 HD23 LEU A 59 -14.774 0.181 1.112 1.00 10.31 H new ATOM 943 N PRO A 60 -13.349 1.400 5.440 1.00 1.12 N ATOM 944 CA PRO A 60 -13.186 1.508 6.907 1.00 20.35 C ATOM 945 C PRO A 60 -13.728 0.293 7.680 1.00 13.44 C ATOM 946 O PRO A 60 -14.920 -0.027 7.607 1.00 74.21 O ATOM 947 CB PRO A 60 -13.988 2.773 7.268 1.00 33.52 C ATOM 948 CG PRO A 60 -14.106 3.535 5.988 1.00 62.11 C ATOM 949 CD PRO A 60 -14.172 2.498 4.901 1.00 12.10 C ATOM 0 HA PRO A 60 -12.132 1.553 7.180 1.00 20.35 H new ATOM 0 HB2 PRO A 60 -14.970 2.517 7.667 1.00 33.52 H new ATOM 0 HB3 PRO A 60 -13.477 3.360 8.031 1.00 33.52 H new ATOM 0 HG2 PRO A 60 -14.998 4.161 5.986 1.00 62.11 H new ATOM 0 HG3 PRO A 60 -13.252 4.197 5.846 1.00 62.11 H new ATOM 0 HD2 PRO A 60 -15.196 2.178 4.710 1.00 12.10 H new ATOM 0 HD3 PRO A 60 -13.775 2.875 3.959 1.00 12.10 H new ATOM 957 N GLY A 61 -12.852 -0.371 8.433 1.00 44.22 N ATOM 958 CA GLY A 61 -13.258 -1.518 9.240 1.00 13.22 C ATOM 959 C GLY A 61 -12.797 -2.853 8.668 1.00 74.21 C ATOM 960 O GLY A 61 -12.934 -3.898 9.316 1.00 51.32 O ATOM 0 H GLY A 61 -11.862 -0.135 8.500 1.00 44.22 H new ATOM 0 HA2 GLY A 61 -12.857 -1.405 10.247 1.00 13.22 H new ATOM 0 HA3 GLY A 61 -14.344 -1.525 9.328 1.00 13.22 H new ATOM 964 N THR A 62 -12.236 -2.825 7.461 1.00 44.45 N ATOM 965 CA THR A 62 -11.784 -4.049 6.785 1.00 61.31 C ATOM 966 C THR A 62 -10.498 -4.599 7.416 1.00 33.14 C ATOM 967 O THR A 62 -10.283 -5.815 7.459 1.00 55.43 O ATOM 968 CB THR A 62 -11.554 -3.800 5.275 1.00 41.41 C ATOM 969 OG1 THR A 62 -12.739 -3.242 4.690 1.00 4.13 O ATOM 970 CG2 THR A 62 -11.190 -5.088 4.543 1.00 14.05 C ATOM 0 H THR A 62 -12.081 -1.970 6.927 1.00 44.45 H new ATOM 0 HA THR A 62 -12.575 -4.789 6.907 1.00 61.31 H new ATOM 0 HB THR A 62 -10.722 -3.103 5.175 1.00 41.41 H new ATOM 0 HG1 THR A 62 -12.795 -2.289 4.911 1.00 4.13 H new ATOM 0 HG21 THR A 62 -11.036 -4.874 3.485 1.00 14.05 H new ATOM 0 HG22 THR A 62 -10.275 -5.501 4.967 1.00 14.05 H new ATOM 0 HG23 THR A 62 -11.999 -5.810 4.653 1.00 14.05 H new ATOM 978 N ILE A 63 -9.645 -3.699 7.908 1.00 45.12 N ATOM 979 CA ILE A 63 -8.429 -4.099 8.623 1.00 1.13 C ATOM 980 C ILE A 63 -8.785 -4.758 9.965 1.00 71.20 C ATOM 981 O ILE A 63 -9.231 -4.087 10.904 1.00 61.32 O ATOM 982 CB ILE A 63 -7.485 -2.890 8.872 1.00 72.42 C ATOM 983 CG1 ILE A 63 -7.027 -2.277 7.537 1.00 35.52 C ATOM 984 CG2 ILE A 63 -6.277 -3.302 9.719 1.00 1.23 C ATOM 985 CD1 ILE A 63 -6.235 -3.225 6.661 1.00 73.23 C ATOM 0 H ILE A 63 -9.772 -2.690 7.825 1.00 45.12 H new ATOM 0 HA ILE A 63 -7.905 -4.817 7.993 1.00 1.13 H new ATOM 0 HB ILE A 63 -8.043 -2.134 9.425 1.00 72.42 H new ATOM 0 HG12 ILE A 63 -7.904 -1.937 6.986 1.00 35.52 H new ATOM 0 HG13 ILE A 63 -6.419 -1.396 7.744 1.00 35.52 H new ATOM 0 HG21 ILE A 63 -5.633 -2.437 9.878 1.00 1.23 H new ATOM 0 HG22 ILE A 63 -6.620 -3.681 10.682 1.00 1.23 H new ATOM 0 HG23 ILE A 63 -5.718 -4.081 9.201 1.00 1.23 H new ATOM 0 HD11 ILE A 63 -5.950 -2.717 5.740 1.00 73.23 H new ATOM 0 HD12 ILE A 63 -5.338 -3.546 7.191 1.00 73.23 H new ATOM 0 HD13 ILE A 63 -6.846 -4.095 6.421 1.00 73.23 H new ATOM 997 N GLU A 64 -8.596 -6.074 10.046 1.00 63.12 N ATOM 998 CA GLU A 64 -8.927 -6.838 11.254 1.00 65.15 C ATOM 999 C GLU A 64 -7.924 -6.535 12.380 1.00 2.43 C ATOM 1000 O GLU A 64 -8.315 -6.250 13.517 1.00 41.53 O ATOM 1001 CB GLU A 64 -8.962 -8.340 10.931 1.00 35.10 C ATOM 1002 CG GLU A 64 -9.465 -9.220 12.075 1.00 40.12 C ATOM 1003 CD GLU A 64 -9.709 -10.658 11.640 1.00 52.31 C ATOM 1004 OE1 GLU A 64 -8.751 -11.458 11.633 1.00 51.55 O ATOM 1005 OE2 GLU A 64 -10.863 -10.991 11.285 1.00 63.50 O ATOM 0 H GLU A 64 -8.214 -6.638 9.287 1.00 63.12 H new ATOM 0 HA GLU A 64 -9.915 -6.538 11.602 1.00 65.15 H new ATOM 0 HB2 GLU A 64 -9.599 -8.497 10.061 1.00 35.10 H new ATOM 0 HB3 GLU A 64 -7.959 -8.663 10.654 1.00 35.10 H new ATOM 0 HG2 GLU A 64 -8.737 -9.208 12.886 1.00 40.12 H new ATOM 0 HG3 GLU A 64 -10.390 -8.802 12.471 1.00 40.12 H new ATOM 1012 N LYS A 65 -6.632 -6.587 12.051 1.00 5.43 N ATOM 1013 CA LYS A 65 -5.574 -6.147 12.969 1.00 63.01 C ATOM 1014 C LYS A 65 -4.304 -5.756 12.204 1.00 33.45 C ATOM 1015 O LYS A 65 -3.814 -6.507 11.364 1.00 23.05 O ATOM 1016 CB LYS A 65 -5.227 -7.229 14.009 1.00 15.20 C ATOM 1017 CG LYS A 65 -4.008 -6.862 14.861 1.00 44.45 C ATOM 1018 CD LYS A 65 -3.725 -7.878 15.964 1.00 53.44 C ATOM 1019 CE LYS A 65 -2.403 -7.578 16.675 1.00 23.53 C ATOM 1020 NZ LYS A 65 -2.367 -6.208 17.263 1.00 2.30 N ATOM 0 H LYS A 65 -6.290 -6.930 11.153 1.00 5.43 H new ATOM 0 HA LYS A 65 -5.963 -5.274 13.494 1.00 63.01 H new ATOM 0 HB2 LYS A 65 -6.086 -7.389 14.661 1.00 15.20 H new ATOM 0 HB3 LYS A 65 -5.036 -8.172 13.496 1.00 15.20 H new ATOM 0 HG2 LYS A 65 -3.133 -6.780 14.217 1.00 44.45 H new ATOM 0 HG3 LYS A 65 -4.167 -5.881 15.310 1.00 44.45 H new ATOM 0 HD2 LYS A 65 -4.540 -7.867 16.688 1.00 53.44 H new ATOM 0 HD3 LYS A 65 -3.691 -8.880 15.537 1.00 53.44 H new ATOM 0 HE2 LYS A 65 -2.244 -8.313 17.464 1.00 23.53 H new ATOM 0 HE3 LYS A 65 -1.581 -7.688 15.968 1.00 23.53 H new ATOM 0 HZ1 LYS A 65 -1.495 -6.091 17.818 1.00 2.30 H new ATOM 0 HZ2 LYS A 65 -2.389 -5.502 16.500 1.00 2.30 H new ATOM 0 HZ3 LYS A 65 -3.192 -6.074 17.882 1.00 2.30 H new ATOM 1034 N VAL A 66 -3.777 -4.574 12.503 1.00 51.01 N ATOM 1035 CA VAL A 66 -2.507 -4.119 11.931 1.00 32.12 C ATOM 1036 C VAL A 66 -1.449 -3.948 13.029 1.00 14.21 C ATOM 1037 O VAL A 66 -1.766 -3.571 14.159 1.00 65.34 O ATOM 1038 CB VAL A 66 -2.678 -2.778 11.166 1.00 2.15 C ATOM 1039 CG1 VAL A 66 -3.229 -1.692 12.087 1.00 75.30 C ATOM 1040 CG2 VAL A 66 -1.356 -2.338 10.533 1.00 53.04 C ATOM 0 H VAL A 66 -4.210 -3.907 13.142 1.00 51.01 H new ATOM 0 HA VAL A 66 -2.177 -4.882 11.226 1.00 32.12 H new ATOM 0 HB VAL A 66 -3.399 -2.937 10.364 1.00 2.15 H new ATOM 0 HG11 VAL A 66 -3.340 -0.763 11.528 1.00 75.30 H new ATOM 0 HG12 VAL A 66 -4.200 -2.001 12.473 1.00 75.30 H new ATOM 0 HG13 VAL A 66 -2.541 -1.536 12.918 1.00 75.30 H new ATOM 0 HG21 VAL A 66 -1.502 -1.397 10.003 1.00 53.04 H new ATOM 0 HG22 VAL A 66 -0.606 -2.203 11.313 1.00 53.04 H new ATOM 0 HG23 VAL A 66 -1.017 -3.100 9.832 1.00 53.04 H new ATOM 1050 N TYR A 67 -0.200 -4.255 12.702 1.00 32.34 N ATOM 1051 CA TYR A 67 0.920 -4.043 13.619 1.00 23.21 C ATOM 1052 C TYR A 67 1.560 -2.663 13.371 1.00 55.31 C ATOM 1053 O TYR A 67 2.357 -2.504 12.444 1.00 32.13 O ATOM 1054 CB TYR A 67 1.974 -5.149 13.438 1.00 23.41 C ATOM 1055 CG TYR A 67 1.433 -6.561 13.613 1.00 64.02 C ATOM 1056 CD1 TYR A 67 0.767 -7.204 12.573 1.00 3.41 C ATOM 1057 CD2 TYR A 67 1.592 -7.255 14.809 1.00 14.05 C ATOM 1058 CE1 TYR A 67 0.281 -8.488 12.718 1.00 12.13 C ATOM 1059 CE2 TYR A 67 1.108 -8.540 14.961 1.00 3.22 C ATOM 1060 CZ TYR A 67 0.452 -9.152 13.913 1.00 24.23 C ATOM 1061 OH TYR A 67 -0.026 -10.436 14.057 1.00 1.21 O ATOM 0 H TYR A 67 0.067 -4.655 11.802 1.00 32.34 H new ATOM 0 HA TYR A 67 0.542 -4.079 14.641 1.00 23.21 H new ATOM 0 HB2 TYR A 67 2.411 -5.060 12.443 1.00 23.41 H new ATOM 0 HB3 TYR A 67 2.779 -4.989 14.155 1.00 23.41 H new ATOM 0 HD1 TYR A 67 0.628 -6.688 11.634 1.00 3.41 H new ATOM 0 HD2 TYR A 67 2.103 -6.780 15.633 1.00 14.05 H new ATOM 0 HE1 TYR A 67 -0.231 -8.970 11.898 1.00 12.13 H new ATOM 0 HE2 TYR A 67 1.243 -9.063 15.896 1.00 3.22 H new ATOM 0 HH TYR A 67 0.177 -10.761 14.959 1.00 1.21 H new ATOM 1071 N PRO A 68 1.216 -1.641 14.187 1.00 1.41 N ATOM 1072 CA PRO A 68 1.736 -0.273 14.009 1.00 1.12 C ATOM 1073 C PRO A 68 3.199 -0.141 14.457 1.00 2.42 C ATOM 1074 O PRO A 68 3.840 0.888 14.248 1.00 11.32 O ATOM 1075 CB PRO A 68 0.814 0.565 14.905 1.00 10.41 C ATOM 1076 CG PRO A 68 0.408 -0.372 15.994 1.00 13.44 C ATOM 1077 CD PRO A 68 0.306 -1.735 15.352 1.00 60.20 C ATOM 0 HA PRO A 68 1.737 0.037 12.964 1.00 1.12 H new ATOM 0 HB2 PRO A 68 1.332 1.438 15.303 1.00 10.41 H new ATOM 0 HB3 PRO A 68 -0.051 0.932 14.353 1.00 10.41 H new ATOM 0 HG2 PRO A 68 1.141 -0.374 16.801 1.00 13.44 H new ATOM 0 HG3 PRO A 68 -0.545 -0.074 16.431 1.00 13.44 H new ATOM 0 HD2 PRO A 68 0.613 -2.525 16.038 1.00 60.20 H new ATOM 0 HD3 PRO A 68 -0.716 -1.958 15.045 1.00 60.20 H new ATOM 1085 N GLU A 69 3.714 -1.205 15.061 1.00 51.34 N ATOM 1086 CA GLU A 69 5.084 -1.238 15.573 1.00 44.13 C ATOM 1087 C GLU A 69 5.796 -2.547 15.175 1.00 32.25 C ATOM 1088 O GLU A 69 6.211 -3.329 16.038 1.00 3.42 O ATOM 1089 CB GLU A 69 5.053 -1.089 17.101 1.00 75.14 C ATOM 1090 CG GLU A 69 4.096 -2.066 17.782 1.00 23.22 C ATOM 1091 CD GLU A 69 4.130 -1.977 19.294 1.00 51.22 C ATOM 1092 OE1 GLU A 69 5.013 -2.610 19.910 1.00 62.31 O ATOM 1093 OE2 GLU A 69 3.268 -1.286 19.880 1.00 12.04 O ATOM 0 H GLU A 69 3.196 -2.071 15.211 1.00 51.34 H new ATOM 0 HA GLU A 69 5.645 -0.412 15.135 1.00 44.13 H new ATOM 0 HB2 GLU A 69 6.058 -1.241 17.495 1.00 75.14 H new ATOM 0 HB3 GLU A 69 4.762 -0.070 17.354 1.00 75.14 H new ATOM 0 HG2 GLU A 69 3.081 -1.872 17.436 1.00 23.22 H new ATOM 0 HG3 GLU A 69 4.347 -3.082 17.478 1.00 23.22 H new ATOM 1100 N PRO A 70 5.962 -2.802 13.858 1.00 40.02 N ATOM 1101 CA PRO A 70 6.567 -4.052 13.369 1.00 32.51 C ATOM 1102 C PRO A 70 8.004 -4.241 13.878 1.00 14.34 C ATOM 1103 O PRO A 70 8.943 -3.600 13.397 1.00 61.34 O ATOM 1104 CB PRO A 70 6.534 -3.904 11.837 1.00 51.20 C ATOM 1105 CG PRO A 70 6.394 -2.436 11.594 1.00 31.12 C ATOM 1106 CD PRO A 70 5.595 -1.900 12.751 1.00 21.44 C ATOM 0 HA PRO A 70 6.029 -4.931 13.724 1.00 32.51 H new ATOM 0 HB2 PRO A 70 7.445 -4.294 11.383 1.00 51.20 H new ATOM 0 HB3 PRO A 70 5.700 -4.457 11.405 1.00 51.20 H new ATOM 0 HG2 PRO A 70 7.370 -1.955 11.538 1.00 31.12 H new ATOM 0 HG3 PRO A 70 5.888 -2.243 10.648 1.00 31.12 H new ATOM 0 HD2 PRO A 70 5.852 -0.864 12.973 1.00 21.44 H new ATOM 0 HD3 PRO A 70 4.524 -1.926 12.548 1.00 21.44 H new ATOM 1114 N ARG A 71 8.159 -5.103 14.877 1.00 25.32 N ATOM 1115 CA ARG A 71 9.462 -5.357 15.497 1.00 74.51 C ATOM 1116 C ARG A 71 10.311 -6.314 14.643 1.00 13.33 C ATOM 1117 O ARG A 71 11.542 -6.315 14.730 1.00 44.53 O ATOM 1118 CB ARG A 71 9.262 -5.946 16.903 1.00 71.03 C ATOM 1119 CG ARG A 71 10.544 -6.090 17.717 1.00 24.02 C ATOM 1120 CD ARG A 71 11.215 -4.742 17.958 1.00 1.51 C ATOM 1121 NE ARG A 71 12.341 -4.849 18.882 1.00 50.41 N ATOM 1122 CZ ARG A 71 12.780 -3.868 19.618 1.00 73.23 C ATOM 1123 NH1 ARG A 71 12.266 -2.686 19.519 1.00 31.43 N ATOM 1124 NH2 ARG A 71 13.749 -4.072 20.447 1.00 2.25 N ATOM 0 H ARG A 71 7.394 -5.644 15.280 1.00 25.32 H new ATOM 0 HA ARG A 71 9.995 -4.409 15.570 1.00 74.51 H new ATOM 0 HB2 ARG A 71 8.567 -5.312 17.453 1.00 71.03 H new ATOM 0 HB3 ARG A 71 8.794 -6.926 16.809 1.00 71.03 H new ATOM 0 HG2 ARG A 71 10.316 -6.559 18.674 1.00 24.02 H new ATOM 0 HG3 ARG A 71 11.235 -6.752 17.194 1.00 24.02 H new ATOM 0 HD2 ARG A 71 11.563 -4.335 17.008 1.00 1.51 H new ATOM 0 HD3 ARG A 71 10.484 -4.039 18.357 1.00 1.51 H new ATOM 0 HE ARG A 71 12.814 -5.750 18.956 1.00 50.41 H new ATOM 0 HH11 ARG A 71 11.508 -2.513 18.859 1.00 31.43 H new ATOM 0 HH12 ARG A 71 12.619 -1.926 20.101 1.00 31.43 H new ATOM 0 HH21 ARG A 71 14.168 -4.999 20.524 1.00 2.25 H new ATOM 0 HH22 ARG A 71 14.095 -3.306 21.025 1.00 2.25 H new ATOM 1138 N SER A 72 9.651 -7.136 13.828 1.00 52.04 N ATOM 1139 CA SER A 72 10.359 -8.094 12.963 1.00 0.12 C ATOM 1140 C SER A 72 9.619 -8.349 11.641 1.00 51.51 C ATOM 1141 O SER A 72 8.497 -7.882 11.435 1.00 45.02 O ATOM 1142 CB SER A 72 10.589 -9.422 13.704 1.00 1.44 C ATOM 1143 OG SER A 72 11.430 -9.238 14.836 1.00 42.05 O ATOM 0 H SER A 72 8.635 -7.162 13.745 1.00 52.04 H new ATOM 0 HA SER A 72 11.321 -7.646 12.716 1.00 0.12 H new ATOM 0 HB2 SER A 72 9.632 -9.835 14.022 1.00 1.44 H new ATOM 0 HB3 SER A 72 11.040 -10.147 13.026 1.00 1.44 H new ATOM 0 HG SER A 72 11.559 -10.097 15.290 1.00 42.05 H new ATOM 1149 N GLU A 73 10.272 -9.110 10.761 1.00 25.33 N ATOM 1150 CA GLU A 73 9.786 -9.379 9.397 1.00 4.34 C ATOM 1151 C GLU A 73 8.337 -9.901 9.361 1.00 25.12 C ATOM 1152 O GLU A 73 7.510 -9.406 8.589 1.00 71.43 O ATOM 1153 CB GLU A 73 10.713 -10.403 8.727 1.00 62.05 C ATOM 1154 CG GLU A 73 10.300 -10.799 7.314 1.00 32.21 C ATOM 1155 CD GLU A 73 11.151 -11.929 6.761 1.00 43.25 C ATOM 1156 OE1 GLU A 73 12.301 -11.675 6.358 1.00 3.52 O ATOM 1157 OE2 GLU A 73 10.676 -13.084 6.737 1.00 4.22 O ATOM 0 H GLU A 73 11.161 -9.563 10.972 1.00 25.33 H new ATOM 0 HA GLU A 73 9.794 -8.431 8.860 1.00 4.34 H new ATOM 0 HB2 GLU A 73 11.723 -9.994 8.696 1.00 62.05 H new ATOM 0 HB3 GLU A 73 10.751 -11.300 9.346 1.00 62.05 H new ATOM 0 HG2 GLU A 73 9.253 -11.102 7.315 1.00 32.21 H new ATOM 0 HG3 GLU A 73 10.380 -9.932 6.658 1.00 32.21 H new ATOM 1164 N SER A 74 8.038 -10.901 10.195 1.00 74.52 N ATOM 1165 CA SER A 74 6.720 -11.564 10.180 1.00 32.43 C ATOM 1166 C SER A 74 5.567 -10.556 10.303 1.00 13.45 C ATOM 1167 O SER A 74 4.589 -10.630 9.558 1.00 40.04 O ATOM 1168 CB SER A 74 6.622 -12.604 11.304 1.00 42.33 C ATOM 1169 OG SER A 74 5.381 -13.293 11.268 1.00 3.20 O ATOM 0 H SER A 74 8.686 -11.273 10.890 1.00 74.52 H new ATOM 0 HA SER A 74 6.627 -12.065 9.216 1.00 32.43 H new ATOM 0 HB2 SER A 74 7.439 -13.319 11.212 1.00 42.33 H new ATOM 0 HB3 SER A 74 6.738 -12.111 12.269 1.00 42.33 H new ATOM 0 HG SER A 74 5.350 -13.949 11.995 1.00 3.20 H new ATOM 1175 N GLU A 75 5.687 -9.614 11.239 1.00 53.33 N ATOM 1176 CA GLU A 75 4.672 -8.561 11.417 1.00 54.01 C ATOM 1177 C GLU A 75 4.503 -7.720 10.141 1.00 10.41 C ATOM 1178 O GLU A 75 3.381 -7.459 9.705 1.00 13.53 O ATOM 1179 CB GLU A 75 5.047 -7.653 12.598 1.00 53.31 C ATOM 1180 CG GLU A 75 5.036 -8.364 13.945 1.00 23.45 C ATOM 1181 CD GLU A 75 5.636 -7.525 15.060 1.00 30.52 C ATOM 1182 OE1 GLU A 75 6.879 -7.500 15.177 1.00 2.01 O ATOM 1183 OE2 GLU A 75 4.873 -6.888 15.818 1.00 44.44 O ATOM 0 H GLU A 75 6.473 -9.554 11.887 1.00 53.33 H new ATOM 0 HA GLU A 75 3.721 -9.050 11.627 1.00 54.01 H new ATOM 0 HB2 GLU A 75 6.040 -7.238 12.425 1.00 53.31 H new ATOM 0 HB3 GLU A 75 4.352 -6.814 12.634 1.00 53.31 H new ATOM 0 HG2 GLU A 75 4.010 -8.624 14.205 1.00 23.45 H new ATOM 0 HG3 GLU A 75 5.591 -9.299 13.862 1.00 23.45 H new ATOM 1190 N CYS A 76 5.622 -7.309 9.544 1.00 33.21 N ATOM 1191 CA CYS A 76 5.600 -6.527 8.297 1.00 11.23 C ATOM 1192 C CYS A 76 4.825 -7.264 7.193 1.00 42.14 C ATOM 1193 O CYS A 76 3.903 -6.713 6.586 1.00 63.21 O ATOM 1194 CB CYS A 76 7.030 -6.244 7.822 1.00 1.24 C ATOM 1195 SG CYS A 76 8.070 -5.422 9.051 1.00 65.13 S ATOM 0 H CYS A 76 6.558 -7.502 9.900 1.00 33.21 H new ATOM 0 HA CYS A 76 5.094 -5.584 8.504 1.00 11.23 H new ATOM 0 HB2 CYS A 76 7.499 -7.186 7.537 1.00 1.24 H new ATOM 0 HB3 CYS A 76 6.987 -5.625 6.926 1.00 1.24 H new ATOM 0 HG CYS A 76 8.071 -4.141 8.832 1.00 65.13 H new ATOM 1201 N LEU A 77 5.199 -8.522 6.952 1.00 64.31 N ATOM 1202 CA LEU A 77 4.527 -9.359 5.948 1.00 43.01 C ATOM 1203 C LEU A 77 3.038 -9.551 6.281 1.00 15.21 C ATOM 1204 O LEU A 77 2.188 -9.595 5.385 1.00 13.12 O ATOM 1205 CB LEU A 77 5.219 -10.729 5.849 1.00 52.12 C ATOM 1206 CG LEU A 77 6.683 -10.701 5.375 1.00 34.03 C ATOM 1207 CD1 LEU A 77 7.285 -12.104 5.386 1.00 31.45 C ATOM 1208 CD2 LEU A 77 6.785 -10.080 3.982 1.00 42.50 C ATOM 0 H LEU A 77 5.965 -8.987 7.438 1.00 64.31 H new ATOM 0 HA LEU A 77 4.597 -8.847 4.989 1.00 43.01 H new ATOM 0 HB2 LEU A 77 5.182 -11.207 6.828 1.00 52.12 H new ATOM 0 HB3 LEU A 77 4.647 -11.357 5.166 1.00 52.12 H new ATOM 0 HG LEU A 77 7.253 -10.083 6.069 1.00 34.03 H new ATOM 0 HD11 LEU A 77 8.320 -12.058 5.047 1.00 31.45 H new ATOM 0 HD12 LEU A 77 7.252 -12.506 6.399 1.00 31.45 H new ATOM 0 HD13 LEU A 77 6.713 -12.750 4.720 1.00 31.45 H new ATOM 0 HD21 LEU A 77 7.828 -10.069 3.664 1.00 42.50 H new ATOM 0 HD22 LEU A 77 6.197 -10.668 3.277 1.00 42.50 H new ATOM 0 HD23 LEU A 77 6.403 -9.059 4.010 1.00 42.50 H new ATOM 1220 N SER A 78 2.731 -9.667 7.572 1.00 74.10 N ATOM 1221 CA SER A 78 1.344 -9.832 8.032 1.00 62.11 C ATOM 1222 C SER A 78 0.494 -8.599 7.699 1.00 43.51 C ATOM 1223 O SER A 78 -0.639 -8.729 7.234 1.00 22.42 O ATOM 1224 CB SER A 78 1.303 -10.109 9.543 1.00 53.32 C ATOM 1225 OG SER A 78 2.031 -11.288 9.868 1.00 22.53 O ATOM 0 H SER A 78 3.422 -9.650 8.322 1.00 74.10 H new ATOM 0 HA SER A 78 0.922 -10.688 7.505 1.00 62.11 H new ATOM 0 HB2 SER A 78 1.721 -9.259 10.083 1.00 53.32 H new ATOM 0 HB3 SER A 78 0.268 -10.216 9.868 1.00 53.32 H new ATOM 0 HG SER A 78 2.971 -11.060 10.023 1.00 22.53 H new ATOM 1231 N ASN A 79 1.053 -7.406 7.926 1.00 62.15 N ATOM 1232 CA ASN A 79 0.372 -6.149 7.577 1.00 22.54 C ATOM 1233 C ASN A 79 0.026 -6.106 6.082 1.00 44.53 C ATOM 1234 O ASN A 79 -1.083 -5.728 5.695 1.00 73.34 O ATOM 1235 CB ASN A 79 1.251 -4.941 7.941 1.00 43.44 C ATOM 1236 CG ASN A 79 1.484 -4.819 9.435 1.00 4.24 C ATOM 1237 OD1 ASN A 79 0.658 -5.229 10.235 1.00 35.21 O ATOM 1238 ND2 ASN A 79 2.600 -4.238 9.823 1.00 62.12 N ATOM 0 H ASN A 79 1.973 -7.281 8.349 1.00 62.15 H new ATOM 0 HA ASN A 79 -0.554 -6.103 8.150 1.00 22.54 H new ATOM 0 HB2 ASN A 79 2.211 -5.029 7.433 1.00 43.44 H new ATOM 0 HB3 ASN A 79 0.779 -4.029 7.575 1.00 43.44 H new ATOM 0 HD21 ASN A 79 2.794 -4.120 10.817 1.00 62.12 H new ATOM 0 HD22 ASN A 79 3.270 -3.906 9.129 1.00 62.12 H new ATOM 1245 N ILE A 80 0.984 -6.502 5.245 1.00 55.31 N ATOM 1246 CA ILE A 80 0.762 -6.566 3.799 1.00 13.02 C ATOM 1247 C ILE A 80 -0.338 -7.587 3.454 1.00 32.23 C ATOM 1248 O ILE A 80 -1.225 -7.307 2.652 1.00 21.34 O ATOM 1249 CB ILE A 80 2.065 -6.926 3.037 1.00 55.33 C ATOM 1250 CG1 ILE A 80 3.195 -5.954 3.420 1.00 10.01 C ATOM 1251 CG2 ILE A 80 1.825 -6.905 1.524 1.00 2.42 C ATOM 1252 CD1 ILE A 80 4.527 -6.272 2.768 1.00 5.23 C ATOM 0 H ILE A 80 1.919 -6.783 5.541 1.00 55.31 H new ATOM 0 HA ILE A 80 0.439 -5.574 3.482 1.00 13.02 H new ATOM 0 HB ILE A 80 2.366 -7.934 3.322 1.00 55.33 H new ATOM 0 HG12 ILE A 80 2.899 -4.942 3.144 1.00 10.01 H new ATOM 0 HG13 ILE A 80 3.320 -5.966 4.503 1.00 10.01 H new ATOM 0 HG21 ILE A 80 2.749 -7.160 1.005 1.00 2.42 H new ATOM 0 HG22 ILE A 80 1.053 -7.631 1.268 1.00 2.42 H new ATOM 0 HG23 ILE A 80 1.501 -5.909 1.221 1.00 2.42 H new ATOM 0 HD11 ILE A 80 5.272 -5.543 3.087 1.00 5.23 H new ATOM 0 HD12 ILE A 80 4.847 -7.271 3.064 1.00 5.23 H new ATOM 0 HD13 ILE A 80 4.420 -6.231 1.684 1.00 5.23 H new ATOM 1264 N ARG A 81 -0.280 -8.769 4.076 1.00 42.53 N ATOM 1265 CA ARG A 81 -1.301 -9.813 3.866 1.00 22.31 C ATOM 1266 C ARG A 81 -2.700 -9.345 4.309 1.00 2.54 C ATOM 1267 O ARG A 81 -3.702 -9.684 3.682 1.00 41.22 O ATOM 1268 CB ARG A 81 -0.914 -11.102 4.607 1.00 2.12 C ATOM 1269 CG ARG A 81 0.263 -11.841 3.978 1.00 5.53 C ATOM 1270 CD ARG A 81 0.593 -13.133 4.725 1.00 43.33 C ATOM 1271 NE ARG A 81 1.066 -12.880 6.089 1.00 14.20 N ATOM 1272 CZ ARG A 81 2.164 -13.385 6.591 1.00 4.45 C ATOM 1273 NH1 ARG A 81 2.859 -14.243 5.916 1.00 55.10 N ATOM 1274 NH2 ARG A 81 2.543 -13.063 7.786 1.00 73.11 N ATOM 0 H ARG A 81 0.459 -9.031 4.728 1.00 42.53 H new ATOM 0 HA ARG A 81 -1.343 -10.015 2.796 1.00 22.31 H new ATOM 0 HB2 ARG A 81 -0.667 -10.857 5.640 1.00 2.12 H new ATOM 0 HB3 ARG A 81 -1.777 -11.768 4.635 1.00 2.12 H new ATOM 0 HG2 ARG A 81 0.032 -12.072 2.938 1.00 5.53 H new ATOM 0 HG3 ARG A 81 1.138 -11.191 3.973 1.00 5.53 H new ATOM 0 HD2 ARG A 81 -0.294 -13.766 4.762 1.00 43.33 H new ATOM 0 HD3 ARG A 81 1.355 -13.684 4.174 1.00 43.33 H new ATOM 0 HE ARG A 81 0.504 -12.272 6.685 1.00 14.20 H new ATOM 0 HH11 ARG A 81 2.552 -14.530 4.987 1.00 55.10 H new ATOM 0 HH12 ARG A 81 3.714 -14.633 6.313 1.00 55.10 H new ATOM 0 HH21 ARG A 81 1.985 -12.413 8.340 1.00 73.11 H new ATOM 0 HH22 ARG A 81 3.399 -13.459 8.173 1.00 73.11 H new ATOM 1288 N GLU A 82 -2.755 -8.581 5.397 1.00 64.23 N ATOM 1289 CA GLU A 82 -4.003 -7.964 5.869 1.00 40.32 C ATOM 1290 C GLU A 82 -4.625 -7.087 4.764 1.00 64.13 C ATOM 1291 O GLU A 82 -5.793 -7.256 4.393 1.00 24.04 O ATOM 1292 CB GLU A 82 -3.697 -7.136 7.132 1.00 45.33 C ATOM 1293 CG GLU A 82 -4.841 -6.267 7.645 1.00 60.34 C ATOM 1294 CD GLU A 82 -6.059 -7.052 8.100 1.00 43.10 C ATOM 1295 OE1 GLU A 82 -5.932 -7.905 8.999 1.00 42.12 O ATOM 1296 OE2 GLU A 82 -7.161 -6.805 7.576 1.00 15.22 O ATOM 0 H GLU A 82 -1.943 -8.370 5.977 1.00 64.23 H new ATOM 0 HA GLU A 82 -4.730 -8.738 6.115 1.00 40.32 H new ATOM 0 HB2 GLU A 82 -3.398 -7.818 7.928 1.00 45.33 H new ATOM 0 HB3 GLU A 82 -2.841 -6.493 6.925 1.00 45.33 H new ATOM 0 HG2 GLU A 82 -4.479 -5.663 8.477 1.00 60.34 H new ATOM 0 HG3 GLU A 82 -5.141 -5.577 6.857 1.00 60.34 H new ATOM 1303 N PHE A 83 -3.820 -6.174 4.225 1.00 5.05 N ATOM 1304 CA PHE A 83 -4.234 -5.324 3.101 1.00 4.31 C ATOM 1305 C PHE A 83 -4.661 -6.168 1.883 1.00 62.15 C ATOM 1306 O PHE A 83 -5.717 -5.938 1.287 1.00 51.03 O ATOM 1307 CB PHE A 83 -3.078 -4.388 2.720 1.00 54.12 C ATOM 1308 CG PHE A 83 -3.330 -3.545 1.491 1.00 2.12 C ATOM 1309 CD1 PHE A 83 -4.158 -2.433 1.555 1.00 25.24 C ATOM 1310 CD2 PHE A 83 -2.736 -3.863 0.274 1.00 54.42 C ATOM 1311 CE1 PHE A 83 -4.388 -1.657 0.434 1.00 1.13 C ATOM 1312 CE2 PHE A 83 -2.963 -3.088 -0.850 1.00 22.33 C ATOM 1313 CZ PHE A 83 -3.789 -1.985 -0.769 1.00 53.32 C ATOM 0 H PHE A 83 -2.869 -6.000 4.549 1.00 5.05 H new ATOM 0 HA PHE A 83 -5.097 -4.736 3.412 1.00 4.31 H new ATOM 0 HB2 PHE A 83 -2.871 -3.727 3.562 1.00 54.12 H new ATOM 0 HB3 PHE A 83 -2.182 -4.987 2.556 1.00 54.12 H new ATOM 0 HD1 PHE A 83 -4.628 -2.171 2.491 1.00 25.24 H new ATOM 0 HD2 PHE A 83 -2.090 -4.725 0.205 1.00 54.42 H new ATOM 0 HE1 PHE A 83 -5.035 -0.795 0.498 1.00 1.13 H new ATOM 0 HE2 PHE A 83 -2.495 -3.346 -1.789 1.00 22.33 H new ATOM 0 HZ PHE A 83 -3.968 -1.378 -1.644 1.00 53.32 H new ATOM 1323 N LEU A 84 -3.828 -7.147 1.526 1.00 3.11 N ATOM 1324 CA LEU A 84 -4.105 -8.038 0.391 1.00 70.45 C ATOM 1325 C LEU A 84 -5.417 -8.812 0.583 1.00 73.22 C ATOM 1326 O LEU A 84 -6.162 -9.033 -0.374 1.00 61.24 O ATOM 1327 CB LEU A 84 -2.945 -9.024 0.194 1.00 63.54 C ATOM 1328 CG LEU A 84 -1.603 -8.391 -0.207 1.00 12.54 C ATOM 1329 CD1 LEU A 84 -0.493 -9.442 -0.224 1.00 51.44 C ATOM 1330 CD2 LEU A 84 -1.719 -7.702 -1.566 1.00 75.14 C ATOM 0 H LEU A 84 -2.951 -7.346 2.007 1.00 3.11 H new ATOM 0 HA LEU A 84 -4.208 -7.415 -0.497 1.00 70.45 H new ATOM 0 HB2 LEU A 84 -2.802 -9.581 1.120 1.00 63.54 H new ATOM 0 HB3 LEU A 84 -3.230 -9.746 -0.571 1.00 63.54 H new ATOM 0 HG LEU A 84 -1.344 -7.637 0.536 1.00 12.54 H new ATOM 0 HD11 LEU A 84 0.448 -8.973 -0.510 1.00 51.44 H new ATOM 0 HD12 LEU A 84 -0.392 -9.881 0.769 1.00 51.44 H new ATOM 0 HD13 LEU A 84 -0.742 -10.223 -0.942 1.00 51.44 H new ATOM 0 HD21 LEU A 84 -0.759 -7.260 -1.833 1.00 75.14 H new ATOM 0 HD22 LEU A 84 -2.004 -8.434 -2.322 1.00 75.14 H new ATOM 0 HD23 LEU A 84 -2.477 -6.920 -1.514 1.00 75.14 H new ATOM 1342 N ARG A 85 -5.695 -9.216 1.823 1.00 41.24 N ATOM 1343 CA ARG A 85 -6.927 -9.943 2.139 1.00 61.44 C ATOM 1344 C ARG A 85 -8.156 -9.083 1.816 1.00 60.33 C ATOM 1345 O ARG A 85 -9.064 -9.516 1.108 1.00 32.11 O ATOM 1346 CB ARG A 85 -6.968 -10.339 3.623 1.00 74.04 C ATOM 1347 CG ARG A 85 -7.976 -11.452 3.929 1.00 71.53 C ATOM 1348 CD ARG A 85 -8.336 -11.508 5.409 1.00 42.42 C ATOM 1349 NE ARG A 85 -9.029 -10.292 5.829 1.00 13.25 N ATOM 1350 CZ ARG A 85 -8.541 -9.419 6.667 1.00 24.41 C ATOM 1351 NH1 ARG A 85 -7.421 -9.640 7.274 1.00 74.33 N ATOM 1352 NH2 ARG A 85 -9.193 -8.333 6.917 1.00 21.43 N ATOM 0 H ARG A 85 -5.085 -9.053 2.624 1.00 41.24 H new ATOM 0 HA ARG A 85 -6.942 -10.846 1.529 1.00 61.44 H new ATOM 0 HB2 ARG A 85 -5.975 -10.664 3.932 1.00 74.04 H new ATOM 0 HB3 ARG A 85 -7.216 -9.461 4.219 1.00 74.04 H new ATOM 0 HG2 ARG A 85 -8.881 -11.293 3.342 1.00 71.53 H new ATOM 0 HG3 ARG A 85 -7.561 -12.411 3.621 1.00 71.53 H new ATOM 0 HD2 ARG A 85 -8.969 -12.375 5.600 1.00 42.42 H new ATOM 0 HD3 ARG A 85 -7.431 -11.637 6.002 1.00 42.42 H new ATOM 0 HE ARG A 85 -9.956 -10.114 5.441 1.00 13.25 H new ATOM 0 HH11 ARG A 85 -6.909 -10.505 7.100 1.00 74.33 H new ATOM 0 HH12 ARG A 85 -7.050 -8.950 7.927 1.00 74.33 H new ATOM 0 HH21 ARG A 85 -10.088 -8.159 6.460 1.00 21.43 H new ATOM 0 HH22 ARG A 85 -8.813 -7.649 7.572 1.00 21.43 H new ATOM 1366 N GLY A 86 -8.170 -7.859 2.349 1.00 21.23 N ATOM 1367 CA GLY A 86 -9.290 -6.948 2.127 1.00 63.50 C ATOM 1368 C GLY A 86 -9.525 -6.617 0.655 1.00 52.45 C ATOM 1369 O GLY A 86 -10.623 -6.828 0.128 1.00 4.05 O ATOM 0 H GLY A 86 -7.424 -7.480 2.932 1.00 21.23 H new ATOM 0 HA2 GLY A 86 -10.196 -7.391 2.540 1.00 63.50 H new ATOM 0 HA3 GLY A 86 -9.109 -6.023 2.675 1.00 63.50 H new ATOM 1373 N CYS A 87 -8.492 -6.102 -0.013 1.00 74.43 N ATOM 1374 CA CYS A 87 -8.589 -5.739 -1.434 1.00 53.22 C ATOM 1375 C CYS A 87 -8.869 -6.964 -2.319 1.00 31.54 C ATOM 1376 O CYS A 87 -9.642 -6.887 -3.277 1.00 72.41 O ATOM 1377 CB CYS A 87 -7.303 -5.044 -1.895 1.00 34.41 C ATOM 1378 SG CYS A 87 -6.967 -3.480 -1.051 1.00 35.54 S ATOM 0 H CYS A 87 -7.578 -5.926 0.404 1.00 74.43 H new ATOM 0 HA CYS A 87 -9.429 -5.053 -1.539 1.00 53.22 H new ATOM 0 HB2 CYS A 87 -6.461 -5.718 -1.737 1.00 34.41 H new ATOM 0 HB3 CYS A 87 -7.366 -4.860 -2.967 1.00 34.41 H new ATOM 0 HG CYS A 87 -5.691 -3.232 -1.089 1.00 35.54 H new ATOM 1384 N GLY A 88 -8.244 -8.092 -1.991 1.00 74.43 N ATOM 1385 CA GLY A 88 -8.463 -9.324 -2.743 1.00 2.02 C ATOM 1386 C GLY A 88 -9.868 -9.895 -2.566 1.00 73.01 C ATOM 1387 O GLY A 88 -10.475 -10.380 -3.521 1.00 74.42 O ATOM 0 H GLY A 88 -7.587 -8.178 -1.216 1.00 74.43 H new ATOM 0 HA2 GLY A 88 -8.286 -9.132 -3.801 1.00 2.02 H new ATOM 0 HA3 GLY A 88 -7.733 -10.069 -2.428 1.00 2.02 H new ATOM 1391 N ALA A 89 -10.390 -9.829 -1.346 1.00 71.51 N ATOM 1392 CA ALA A 89 -11.723 -10.361 -1.045 1.00 64.42 C ATOM 1393 C ALA A 89 -12.841 -9.506 -1.667 1.00 40.13 C ATOM 1394 O ALA A 89 -13.606 -9.986 -2.509 1.00 13.42 O ATOM 1395 CB ALA A 89 -11.919 -10.463 0.464 1.00 32.34 C ATOM 0 H ALA A 89 -9.913 -9.413 -0.546 1.00 71.51 H new ATOM 0 HA ALA A 89 -11.786 -11.355 -1.488 1.00 64.42 H new ATOM 0 HB1 ALA A 89 -12.912 -10.859 0.676 1.00 32.34 H new ATOM 0 HB2 ALA A 89 -11.165 -11.129 0.885 1.00 32.34 H new ATOM 0 HB3 ALA A 89 -11.820 -9.474 0.911 1.00 32.34 H new ATOM 1401 N SER A 90 -12.929 -8.240 -1.252 1.00 70.12 N ATOM 1402 CA SER A 90 -14.014 -7.344 -1.698 1.00 24.04 C ATOM 1403 C SER A 90 -13.816 -6.849 -3.141 1.00 74.41 C ATOM 1404 O SER A 90 -14.695 -7.003 -3.987 1.00 25.33 O ATOM 1405 CB SER A 90 -14.138 -6.132 -0.760 1.00 21.03 C ATOM 1406 OG SER A 90 -15.184 -5.261 -1.175 1.00 73.01 O ATOM 0 H SER A 90 -12.266 -7.807 -0.609 1.00 70.12 H new ATOM 0 HA SER A 90 -14.931 -7.933 -1.668 1.00 24.04 H new ATOM 0 HB2 SER A 90 -14.329 -6.475 0.257 1.00 21.03 H new ATOM 0 HB3 SER A 90 -13.194 -5.587 -0.740 1.00 21.03 H new ATOM 0 HG SER A 90 -15.240 -4.501 -0.559 1.00 73.01 H new ATOM 1412 N LEU A 91 -12.656 -6.256 -3.417 1.00 31.20 N ATOM 1413 CA LEU A 91 -12.401 -5.611 -4.717 1.00 43.31 C ATOM 1414 C LEU A 91 -11.935 -6.598 -5.800 1.00 21.13 C ATOM 1415 O LEU A 91 -12.146 -6.355 -6.991 1.00 21.23 O ATOM 1416 CB LEU A 91 -11.376 -4.485 -4.539 1.00 33.41 C ATOM 1417 CG LEU A 91 -11.917 -3.238 -3.820 1.00 24.15 C ATOM 1418 CD1 LEU A 91 -10.783 -2.311 -3.404 1.00 22.55 C ATOM 1419 CD2 LEU A 91 -12.910 -2.502 -4.718 1.00 20.54 C ATOM 0 H LEU A 91 -11.875 -6.205 -2.763 1.00 31.20 H new ATOM 0 HA LEU A 91 -13.349 -5.201 -5.066 1.00 43.31 H new ATOM 0 HB2 LEU A 91 -10.525 -4.871 -3.979 1.00 33.41 H new ATOM 0 HB3 LEU A 91 -11.005 -4.190 -5.521 1.00 33.41 H new ATOM 0 HG LEU A 91 -12.433 -3.561 -2.916 1.00 24.15 H new ATOM 0 HD11 LEU A 91 -11.194 -1.438 -2.898 1.00 22.55 H new ATOM 0 HD12 LEU A 91 -10.111 -2.839 -2.728 1.00 22.55 H new ATOM 0 HD13 LEU A 91 -10.231 -1.992 -4.288 1.00 22.55 H new ATOM 0 HD21 LEU A 91 -13.286 -1.621 -4.198 1.00 20.54 H new ATOM 0 HD22 LEU A 91 -12.411 -2.196 -5.637 1.00 20.54 H new ATOM 0 HD23 LEU A 91 -13.742 -3.164 -4.960 1.00 20.54 H new ATOM 1431 N ARG A 92 -11.293 -7.694 -5.387 1.00 23.21 N ATOM 1432 CA ARG A 92 -10.812 -8.725 -6.327 1.00 41.43 C ATOM 1433 C ARG A 92 -9.838 -8.137 -7.365 1.00 52.43 C ATOM 1434 O ARG A 92 -9.725 -8.636 -8.489 1.00 45.22 O ATOM 1435 CB ARG A 92 -12.003 -9.389 -7.045 1.00 44.30 C ATOM 1436 CG ARG A 92 -13.009 -10.048 -6.107 1.00 54.11 C ATOM 1437 CD ARG A 92 -14.150 -10.715 -6.875 1.00 34.24 C ATOM 1438 NE ARG A 92 -13.660 -11.733 -7.805 1.00 43.14 N ATOM 1439 CZ ARG A 92 -14.425 -12.450 -8.586 1.00 71.15 C ATOM 1440 NH1 ARG A 92 -15.709 -12.294 -8.576 1.00 3.11 N ATOM 1441 NH2 ARG A 92 -13.893 -13.328 -9.377 1.00 34.31 N ATOM 0 H ARG A 92 -11.091 -7.896 -4.408 1.00 23.21 H new ATOM 0 HA ARG A 92 -10.274 -9.474 -5.747 1.00 41.43 H new ATOM 0 HB2 ARG A 92 -12.518 -8.637 -7.642 1.00 44.30 H new ATOM 0 HB3 ARG A 92 -11.623 -10.140 -7.738 1.00 44.30 H new ATOM 0 HG2 ARG A 92 -12.501 -10.792 -5.493 1.00 54.11 H new ATOM 0 HG3 ARG A 92 -13.417 -9.299 -5.428 1.00 54.11 H new ATOM 0 HD2 ARG A 92 -14.844 -11.172 -6.170 1.00 34.24 H new ATOM 0 HD3 ARG A 92 -14.708 -9.958 -7.426 1.00 34.24 H new ATOM 0 HE ARG A 92 -12.654 -11.894 -7.847 1.00 43.14 H new ATOM 0 HH11 ARG A 92 -16.134 -11.606 -7.955 1.00 3.11 H new ATOM 0 HH12 ARG A 92 -16.296 -12.859 -9.190 1.00 3.11 H new ATOM 0 HH21 ARG A 92 -12.881 -13.457 -9.388 1.00 34.31 H new ATOM 0 HH22 ARG A 92 -14.486 -13.890 -9.988 1.00 34.31 H new ATOM 1455 N LEU A 93 -9.123 -7.088 -6.977 1.00 61.32 N ATOM 1456 CA LEU A 93 -8.229 -6.372 -7.894 1.00 60.44 C ATOM 1457 C LEU A 93 -6.845 -7.038 -8.014 1.00 3.02 C ATOM 1458 O LEU A 93 -6.581 -8.073 -7.400 1.00 72.12 O ATOM 1459 CB LEU A 93 -8.101 -4.902 -7.447 1.00 62.23 C ATOM 1460 CG LEU A 93 -7.747 -4.654 -5.963 1.00 71.23 C ATOM 1461 CD1 LEU A 93 -6.294 -5.017 -5.654 1.00 71.02 C ATOM 1462 CD2 LEU A 93 -8.024 -3.202 -5.589 1.00 75.45 C ATOM 0 H LEU A 93 -9.142 -6.709 -6.030 1.00 61.32 H new ATOM 0 HA LEU A 93 -8.671 -6.411 -8.889 1.00 60.44 H new ATOM 0 HB2 LEU A 93 -7.339 -4.425 -8.063 1.00 62.23 H new ATOM 0 HB3 LEU A 93 -9.044 -4.399 -7.660 1.00 62.23 H new ATOM 0 HG LEU A 93 -8.381 -5.305 -5.361 1.00 71.23 H new ATOM 0 HD11 LEU A 93 -6.088 -4.827 -4.601 1.00 71.02 H new ATOM 0 HD12 LEU A 93 -6.128 -6.072 -5.872 1.00 71.02 H new ATOM 0 HD13 LEU A 93 -5.629 -4.411 -6.269 1.00 71.02 H new ATOM 0 HD21 LEU A 93 -7.770 -3.041 -4.541 1.00 75.45 H new ATOM 0 HD22 LEU A 93 -7.420 -2.544 -6.214 1.00 75.45 H new ATOM 0 HD23 LEU A 93 -9.080 -2.981 -5.744 1.00 75.45 H new ATOM 1474 N GLU A 94 -5.970 -6.430 -8.819 1.00 21.32 N ATOM 1475 CA GLU A 94 -4.592 -6.910 -8.999 1.00 71.45 C ATOM 1476 C GLU A 94 -3.864 -7.059 -7.650 1.00 72.23 C ATOM 1477 O GLU A 94 -3.491 -6.070 -7.022 1.00 75.25 O ATOM 1478 CB GLU A 94 -3.813 -5.934 -9.897 1.00 42.23 C ATOM 1479 CG GLU A 94 -4.282 -5.893 -11.350 1.00 20.54 C ATOM 1480 CD GLU A 94 -3.832 -7.107 -12.156 1.00 1.14 C ATOM 1481 OE1 GLU A 94 -2.671 -7.118 -12.616 1.00 61.53 O ATOM 1482 OE2 GLU A 94 -4.632 -8.050 -12.341 1.00 35.32 O ATOM 0 H GLU A 94 -6.192 -5.596 -9.363 1.00 21.32 H new ATOM 0 HA GLU A 94 -4.640 -7.892 -9.470 1.00 71.45 H new ATOM 0 HB2 GLU A 94 -3.891 -4.932 -9.475 1.00 42.23 H new ATOM 0 HB3 GLU A 94 -2.758 -6.206 -9.877 1.00 42.23 H new ATOM 0 HG2 GLU A 94 -5.370 -5.831 -11.373 1.00 20.54 H new ATOM 0 HG3 GLU A 94 -3.901 -4.988 -11.823 1.00 20.54 H new ATOM 1489 N THR A 95 -3.685 -8.296 -7.198 1.00 53.13 N ATOM 1490 CA THR A 95 -2.953 -8.567 -5.953 1.00 71.00 C ATOM 1491 C THR A 95 -1.495 -8.949 -6.234 1.00 61.41 C ATOM 1492 O THR A 95 -1.138 -9.311 -7.358 1.00 61.32 O ATOM 1493 CB THR A 95 -3.615 -9.700 -5.130 1.00 64.43 C ATOM 1494 OG1 THR A 95 -3.680 -10.906 -5.910 1.00 61.30 O ATOM 1495 CG2 THR A 95 -5.019 -9.305 -4.677 1.00 55.14 C ATOM 0 H THR A 95 -4.034 -9.130 -7.670 1.00 53.13 H new ATOM 0 HA THR A 95 -2.982 -7.644 -5.374 1.00 71.00 H new ATOM 0 HB THR A 95 -3.003 -9.872 -4.245 1.00 64.43 H new ATOM 0 HG1 THR A 95 -4.098 -11.616 -5.380 1.00 61.30 H new ATOM 0 HG21 THR A 95 -5.458 -10.120 -4.102 1.00 55.14 H new ATOM 0 HG22 THR A 95 -4.963 -8.411 -4.056 1.00 55.14 H new ATOM 0 HG23 THR A 95 -5.639 -9.102 -5.550 1.00 55.14 H new ATOM 1503 N PHE A 96 -0.657 -8.871 -5.205 1.00 75.42 N ATOM 1504 CA PHE A 96 0.775 -9.170 -5.341 1.00 64.31 C ATOM 1505 C PHE A 96 1.306 -9.919 -4.112 1.00 62.32 C ATOM 1506 O PHE A 96 0.691 -9.895 -3.045 1.00 51.45 O ATOM 1507 CB PHE A 96 1.571 -7.869 -5.545 1.00 63.24 C ATOM 1508 CG PHE A 96 1.434 -6.884 -4.409 1.00 14.42 C ATOM 1509 CD1 PHE A 96 0.383 -5.978 -4.379 1.00 12.31 C ATOM 1510 CD2 PHE A 96 2.355 -6.864 -3.371 1.00 11.03 C ATOM 1511 CE1 PHE A 96 0.254 -5.075 -3.340 1.00 14.31 C ATOM 1512 CE2 PHE A 96 2.231 -5.962 -2.330 1.00 15.11 C ATOM 1513 CZ PHE A 96 1.180 -5.067 -2.315 1.00 74.24 C ATOM 0 H PHE A 96 -0.941 -8.603 -4.263 1.00 75.42 H new ATOM 0 HA PHE A 96 0.902 -9.812 -6.213 1.00 64.31 H new ATOM 0 HB2 PHE A 96 2.625 -8.116 -5.674 1.00 63.24 H new ATOM 0 HB3 PHE A 96 1.240 -7.393 -6.468 1.00 63.24 H new ATOM 0 HD1 PHE A 96 -0.344 -5.978 -5.178 1.00 12.31 H new ATOM 0 HD2 PHE A 96 3.179 -7.562 -3.376 1.00 11.03 H new ATOM 0 HE1 PHE A 96 -0.570 -4.377 -3.330 1.00 14.31 H new ATOM 0 HE2 PHE A 96 2.956 -5.958 -1.529 1.00 15.11 H new ATOM 0 HZ PHE A 96 1.082 -4.362 -1.503 1.00 74.24 H new ATOM 1523 N ASP A 97 2.445 -10.584 -4.266 1.00 51.03 N ATOM 1524 CA ASP A 97 3.098 -11.265 -3.146 1.00 64.21 C ATOM 1525 C ASP A 97 3.764 -10.247 -2.201 1.00 52.11 C ATOM 1526 O ASP A 97 4.443 -9.316 -2.644 1.00 44.42 O ATOM 1527 CB ASP A 97 4.132 -12.270 -3.681 1.00 43.32 C ATOM 1528 CG ASP A 97 4.808 -13.099 -2.596 1.00 11.00 C ATOM 1529 OD1 ASP A 97 4.374 -13.053 -1.425 1.00 33.02 O ATOM 1530 OD2 ASP A 97 5.781 -13.813 -2.917 1.00 1.40 O ATOM 0 H ASP A 97 2.939 -10.668 -5.155 1.00 51.03 H new ATOM 0 HA ASP A 97 2.344 -11.806 -2.574 1.00 64.21 H new ATOM 0 HB2 ASP A 97 3.640 -12.942 -4.384 1.00 43.32 H new ATOM 0 HB3 ASP A 97 4.896 -11.728 -4.239 1.00 43.32 H new ATOM 1535 N ALA A 98 3.572 -10.440 -0.895 1.00 31.53 N ATOM 1536 CA ALA A 98 4.146 -9.549 0.122 1.00 41.40 C ATOM 1537 C ALA A 98 5.674 -9.467 -0.006 1.00 23.15 C ATOM 1538 O ALA A 98 6.289 -8.446 0.317 1.00 62.25 O ATOM 1539 CB ALA A 98 3.753 -10.031 1.516 1.00 64.01 C ATOM 0 H ALA A 98 3.021 -11.209 -0.513 1.00 31.53 H new ATOM 0 HA ALA A 98 3.746 -8.547 -0.037 1.00 41.40 H new ATOM 0 HB1 ALA A 98 4.182 -9.366 2.265 1.00 64.01 H new ATOM 0 HB2 ALA A 98 2.667 -10.030 1.609 1.00 64.01 H new ATOM 0 HB3 ALA A 98 4.129 -11.042 1.671 1.00 64.01 H new ATOM 1545 N ASN A 99 6.270 -10.546 -0.497 1.00 4.24 N ATOM 1546 CA ASN A 99 7.721 -10.628 -0.683 1.00 73.32 C ATOM 1547 C ASN A 99 8.229 -9.612 -1.726 1.00 51.50 C ATOM 1548 O ASN A 99 9.297 -9.017 -1.552 1.00 74.42 O ATOM 1549 CB ASN A 99 8.097 -12.053 -1.095 1.00 61.53 C ATOM 1550 CG ASN A 99 7.695 -13.075 -0.043 1.00 74.52 C ATOM 1551 OD1 ASN A 99 7.777 -12.817 1.154 1.00 11.20 O ATOM 1552 ND2 ASN A 99 7.228 -14.226 -0.475 1.00 40.10 N ATOM 0 H ASN A 99 5.768 -11.388 -0.778 1.00 4.24 H new ATOM 0 HA ASN A 99 8.201 -10.378 0.263 1.00 73.32 H new ATOM 0 HB2 ASN A 99 7.613 -12.297 -2.041 1.00 61.53 H new ATOM 0 HB3 ASN A 99 9.172 -12.110 -1.263 1.00 61.53 H new ATOM 0 HD21 ASN A 99 6.921 -14.934 0.192 1.00 40.10 H new ATOM 0 HD22 ASN A 99 7.172 -14.410 -1.477 1.00 40.10 H new ATOM 1559 N ASP A 100 7.457 -9.406 -2.800 1.00 63.24 N ATOM 1560 CA ASP A 100 7.819 -8.430 -3.837 1.00 30.20 C ATOM 1561 C ASP A 100 7.970 -7.025 -3.255 1.00 10.51 C ATOM 1562 O ASP A 100 8.952 -6.334 -3.525 1.00 31.13 O ATOM 1563 CB ASP A 100 6.774 -8.413 -4.955 1.00 23.45 C ATOM 1564 CG ASP A 100 6.865 -9.642 -5.831 1.00 31.13 C ATOM 1565 OD1 ASP A 100 7.804 -9.720 -6.645 1.00 64.23 O ATOM 1566 OD2 ASP A 100 5.999 -10.527 -5.722 1.00 20.43 O ATOM 0 H ASP A 100 6.581 -9.899 -2.974 1.00 63.24 H new ATOM 0 HA ASP A 100 8.780 -8.738 -4.249 1.00 30.20 H new ATOM 0 HB2 ASP A 100 5.777 -8.351 -4.519 1.00 23.45 H new ATOM 0 HB3 ASP A 100 6.911 -7.521 -5.566 1.00 23.45 H new ATOM 1571 N LEU A 101 6.998 -6.610 -2.452 1.00 41.34 N ATOM 1572 CA LEU A 101 7.027 -5.283 -1.835 1.00 22.50 C ATOM 1573 C LEU A 101 8.089 -5.198 -0.731 1.00 12.02 C ATOM 1574 O LEU A 101 8.940 -4.306 -0.741 1.00 62.22 O ATOM 1575 CB LEU A 101 5.646 -4.937 -1.262 1.00 40.31 C ATOM 1576 CG LEU A 101 5.555 -3.593 -0.511 1.00 32.34 C ATOM 1577 CD1 LEU A 101 5.996 -2.433 -1.404 1.00 4.32 C ATOM 1578 CD2 LEU A 101 4.137 -3.367 0.009 1.00 24.12 C ATOM 0 H LEU A 101 6.180 -7.169 -2.211 1.00 41.34 H new ATOM 0 HA LEU A 101 7.289 -4.562 -2.609 1.00 22.50 H new ATOM 0 HB2 LEU A 101 4.925 -4.926 -2.080 1.00 40.31 H new ATOM 0 HB3 LEU A 101 5.344 -5.734 -0.582 1.00 40.31 H new ATOM 0 HG LEU A 101 6.233 -3.634 0.341 1.00 32.34 H new ATOM 0 HD11 LEU A 101 5.922 -1.498 -0.849 1.00 4.32 H new ATOM 0 HD12 LEU A 101 7.028 -2.588 -1.718 1.00 4.32 H new ATOM 0 HD13 LEU A 101 5.353 -2.385 -2.283 1.00 4.32 H new ATOM 0 HD21 LEU A 101 4.090 -2.414 0.536 1.00 24.12 H new ATOM 0 HD22 LEU A 101 3.440 -3.352 -0.829 1.00 24.12 H new ATOM 0 HD23 LEU A 101 3.867 -4.173 0.691 1.00 24.12 H new ATOM 1590 N TYR A 102 8.053 -6.147 0.201 1.00 74.20 N ATOM 1591 CA TYR A 102 8.943 -6.125 1.368 1.00 32.31 C ATOM 1592 C TYR A 102 10.435 -6.186 0.974 1.00 53.11 C ATOM 1593 O TYR A 102 11.283 -5.591 1.639 1.00 73.43 O ATOM 1594 CB TYR A 102 8.598 -7.284 2.314 1.00 21.22 C ATOM 1595 CG TYR A 102 9.380 -7.259 3.613 1.00 44.31 C ATOM 1596 CD1 TYR A 102 9.127 -6.288 4.575 1.00 2.34 C ATOM 1597 CD2 TYR A 102 10.373 -8.196 3.875 1.00 15.00 C ATOM 1598 CE1 TYR A 102 9.842 -6.251 5.756 1.00 43.42 C ATOM 1599 CE2 TYR A 102 11.088 -8.166 5.055 1.00 12.34 C ATOM 1600 CZ TYR A 102 10.820 -7.192 5.992 1.00 1.45 C ATOM 1601 OH TYR A 102 11.540 -7.152 7.166 1.00 32.02 O ATOM 0 H TYR A 102 7.417 -6.944 0.174 1.00 74.20 H new ATOM 0 HA TYR A 102 8.784 -5.175 1.878 1.00 32.31 H new ATOM 0 HB2 TYR A 102 7.532 -7.253 2.540 1.00 21.22 H new ATOM 0 HB3 TYR A 102 8.788 -8.228 1.803 1.00 21.22 H new ATOM 0 HD1 TYR A 102 8.359 -5.550 4.396 1.00 2.34 H new ATOM 0 HD2 TYR A 102 10.588 -8.960 3.143 1.00 15.00 H new ATOM 0 HE1 TYR A 102 9.635 -5.488 6.491 1.00 43.42 H new ATOM 0 HE2 TYR A 102 11.855 -8.903 5.243 1.00 12.34 H new ATOM 0 HH TYR A 102 12.189 -7.886 7.177 1.00 32.02 H new ATOM 1611 N GLN A 103 10.753 -6.914 -0.097 1.00 75.40 N ATOM 1612 CA GLN A 103 12.146 -7.047 -0.557 1.00 1.03 C ATOM 1613 C GLN A 103 12.417 -6.274 -1.860 1.00 50.44 C ATOM 1614 O GLN A 103 13.525 -6.322 -2.391 1.00 74.51 O ATOM 1615 CB GLN A 103 12.499 -8.528 -0.745 1.00 32.42 C ATOM 1616 CG GLN A 103 12.483 -9.332 0.551 1.00 62.24 C ATOM 1617 CD GLN A 103 13.552 -8.875 1.536 1.00 21.32 C ATOM 1618 OE1 GLN A 103 14.673 -9.370 1.524 1.00 74.35 O ATOM 1619 NE2 GLN A 103 13.221 -7.926 2.390 1.00 20.55 N ATOM 0 H GLN A 103 10.072 -7.420 -0.663 1.00 75.40 H new ATOM 0 HA GLN A 103 12.780 -6.609 0.214 1.00 1.03 H new ATOM 0 HB2 GLN A 103 11.795 -8.974 -1.447 1.00 32.42 H new ATOM 0 HB3 GLN A 103 13.489 -8.602 -1.196 1.00 32.42 H new ATOM 0 HG2 GLN A 103 11.502 -9.243 1.018 1.00 62.24 H new ATOM 0 HG3 GLN A 103 12.632 -10.387 0.322 1.00 62.24 H new ATOM 0 HE21 GLN A 103 12.280 -7.533 2.376 1.00 20.55 H new ATOM 0 HE22 GLN A 103 13.906 -7.585 3.064 1.00 20.55 H new ATOM 1628 N GLY A 104 11.411 -5.561 -2.366 1.00 35.44 N ATOM 1629 CA GLY A 104 11.581 -4.777 -3.591 1.00 1.01 C ATOM 1630 C GLY A 104 12.003 -5.616 -4.800 1.00 34.41 C ATOM 1631 O GLY A 104 12.968 -5.285 -5.491 1.00 71.42 O ATOM 0 H GLY A 104 10.480 -5.509 -1.953 1.00 35.44 H new ATOM 0 HA2 GLY A 104 10.644 -4.269 -3.821 1.00 1.01 H new ATOM 0 HA3 GLY A 104 12.329 -4.003 -3.417 1.00 1.01 H new ATOM 1635 N GLN A 105 11.278 -6.703 -5.053 1.00 55.43 N ATOM 1636 CA GLN A 105 11.582 -7.598 -6.176 1.00 11.44 C ATOM 1637 C GLN A 105 10.875 -7.133 -7.463 1.00 21.34 C ATOM 1638 O GLN A 105 11.490 -6.505 -8.326 1.00 51.24 O ATOM 1639 CB GLN A 105 11.179 -9.041 -5.831 1.00 73.12 C ATOM 1640 CG GLN A 105 11.822 -9.566 -4.550 1.00 31.43 C ATOM 1641 CD GLN A 105 11.389 -10.983 -4.205 1.00 4.33 C ATOM 1642 OE1 GLN A 105 10.292 -11.410 -4.537 1.00 25.41 O ATOM 1643 NE2 GLN A 105 12.242 -11.719 -3.522 1.00 70.22 N ATOM 0 H GLN A 105 10.473 -6.989 -4.496 1.00 55.43 H new ATOM 0 HA GLN A 105 12.657 -7.567 -6.354 1.00 11.44 H new ATOM 0 HB2 GLN A 105 10.095 -9.092 -5.731 1.00 73.12 H new ATOM 0 HB3 GLN A 105 11.454 -9.694 -6.659 1.00 73.12 H new ATOM 0 HG2 GLN A 105 12.906 -9.539 -4.657 1.00 31.43 H new ATOM 0 HG3 GLN A 105 11.567 -8.903 -3.724 1.00 31.43 H new ATOM 0 HE21 GLN A 105 13.150 -11.336 -3.259 1.00 70.22 H new ATOM 0 HE22 GLN A 105 11.994 -12.672 -3.256 1.00 70.22 H new ATOM 1652 N ASN A 106 9.585 -7.443 -7.595 1.00 41.32 N ATOM 1653 CA ASN A 106 8.794 -6.980 -8.742 1.00 32.12 C ATOM 1654 C ASN A 106 7.803 -5.884 -8.320 1.00 32.34 C ATOM 1655 O ASN A 106 6.639 -6.157 -8.020 1.00 73.32 O ATOM 1656 CB ASN A 106 8.053 -8.157 -9.385 1.00 73.43 C ATOM 1657 CG ASN A 106 9.001 -9.202 -9.949 1.00 4.21 C ATOM 1658 OD1 ASN A 106 10.085 -8.881 -10.429 1.00 71.23 O ATOM 1659 ND2 ASN A 106 8.616 -10.461 -9.880 1.00 61.14 N ATOM 0 H ASN A 106 9.065 -8.010 -6.926 1.00 41.32 H new ATOM 0 HA ASN A 106 9.476 -6.552 -9.477 1.00 32.12 H new ATOM 0 HB2 ASN A 106 7.404 -8.622 -8.643 1.00 73.43 H new ATOM 0 HB3 ASN A 106 7.410 -7.785 -10.183 1.00 73.43 H new ATOM 0 HD21 ASN A 106 9.225 -11.200 -10.231 1.00 61.14 H new ATOM 0 HD22 ASN A 106 7.709 -10.696 -9.476 1.00 61.14 H new ATOM 1666 N PHE A 107 8.280 -4.639 -8.294 1.00 20.11 N ATOM 1667 CA PHE A 107 7.466 -3.503 -7.839 1.00 35.33 C ATOM 1668 C PHE A 107 6.345 -3.167 -8.839 1.00 50.11 C ATOM 1669 O PHE A 107 5.332 -2.572 -8.469 1.00 12.52 O ATOM 1670 CB PHE A 107 8.358 -2.274 -7.604 1.00 4.52 C ATOM 1671 CG PHE A 107 7.615 -1.077 -7.058 1.00 52.41 C ATOM 1672 CD1 PHE A 107 7.187 -1.054 -5.737 1.00 45.42 C ATOM 1673 CD2 PHE A 107 7.348 0.024 -7.863 1.00 62.30 C ATOM 1674 CE1 PHE A 107 6.508 0.039 -5.232 1.00 60.45 C ATOM 1675 CE2 PHE A 107 6.669 1.118 -7.361 1.00 20.52 C ATOM 1676 CZ PHE A 107 6.249 1.125 -6.045 1.00 20.31 C ATOM 0 H PHE A 107 9.226 -4.388 -8.582 1.00 20.11 H new ATOM 0 HA PHE A 107 6.993 -3.789 -6.900 1.00 35.33 H new ATOM 0 HB2 PHE A 107 9.155 -2.542 -6.911 1.00 4.52 H new ATOM 0 HB3 PHE A 107 8.834 -1.997 -8.545 1.00 4.52 H new ATOM 0 HD1 PHE A 107 7.387 -1.900 -5.097 1.00 45.42 H new ATOM 0 HD2 PHE A 107 7.675 0.025 -8.892 1.00 62.30 H new ATOM 0 HE1 PHE A 107 6.180 0.044 -4.203 1.00 60.45 H new ATOM 0 HE2 PHE A 107 6.467 1.967 -7.997 1.00 20.52 H new ATOM 0 HZ PHE A 107 5.718 1.980 -5.652 1.00 20.31 H new ATOM 1686 N ASN A 108 6.529 -3.562 -10.099 1.00 74.44 N ATOM 1687 CA ASN A 108 5.531 -3.319 -11.154 1.00 23.12 C ATOM 1688 C ASN A 108 4.130 -3.821 -10.751 1.00 10.34 C ATOM 1689 O ASN A 108 3.124 -3.167 -11.032 1.00 52.43 O ATOM 1690 CB ASN A 108 5.985 -3.980 -12.463 1.00 51.40 C ATOM 1691 CG ASN A 108 6.376 -5.438 -12.273 1.00 72.15 C ATOM 1692 OD1 ASN A 108 7.514 -5.744 -11.941 1.00 23.21 O ATOM 1693 ND2 ASN A 108 5.448 -6.346 -12.487 1.00 23.24 N ATOM 0 H ASN A 108 7.363 -4.054 -10.420 1.00 74.44 H new ATOM 0 HA ASN A 108 5.455 -2.242 -11.300 1.00 23.12 H new ATOM 0 HB2 ASN A 108 5.182 -3.915 -13.197 1.00 51.40 H new ATOM 0 HB3 ASN A 108 6.833 -3.429 -12.869 1.00 51.40 H new ATOM 0 HD21 ASN A 108 5.668 -7.336 -12.377 1.00 23.24 H new ATOM 0 HD22 ASN A 108 4.509 -6.060 -12.763 1.00 23.24 H new ATOM 1700 N LYS A 109 4.074 -4.974 -10.084 1.00 75.15 N ATOM 1701 CA LYS A 109 2.801 -5.528 -9.604 1.00 13.13 C ATOM 1702 C LYS A 109 2.213 -4.678 -8.466 1.00 64.15 C ATOM 1703 O LYS A 109 1.012 -4.408 -8.433 1.00 44.02 O ATOM 1704 CB LYS A 109 2.994 -6.972 -9.123 1.00 11.44 C ATOM 1705 CG LYS A 109 3.472 -7.924 -10.215 1.00 34.15 C ATOM 1706 CD LYS A 109 3.607 -9.357 -9.706 1.00 34.24 C ATOM 1707 CE LYS A 109 4.633 -9.472 -8.584 1.00 33.43 C ATOM 1708 NZ LYS A 109 4.824 -10.879 -8.149 1.00 34.11 N ATOM 0 H LYS A 109 4.891 -5.543 -9.863 1.00 75.15 H new ATOM 0 HA LYS A 109 2.100 -5.515 -10.439 1.00 13.13 H new ATOM 0 HB2 LYS A 109 3.715 -6.980 -8.305 1.00 11.44 H new ATOM 0 HB3 LYS A 109 2.051 -7.340 -8.720 1.00 11.44 H new ATOM 0 HG2 LYS A 109 2.771 -7.900 -11.049 1.00 34.15 H new ATOM 0 HG3 LYS A 109 4.434 -7.583 -10.598 1.00 34.15 H new ATOM 0 HD2 LYS A 109 2.639 -9.707 -9.349 1.00 34.24 H new ATOM 0 HD3 LYS A 109 3.897 -10.008 -10.530 1.00 34.24 H new ATOM 0 HE2 LYS A 109 5.586 -9.064 -8.921 1.00 33.43 H new ATOM 0 HE3 LYS A 109 4.311 -8.870 -7.734 1.00 33.43 H new ATOM 0 HZ1 LYS A 109 5.067 -10.900 -7.138 1.00 34.11 H new ATOM 0 HZ2 LYS A 109 3.945 -11.413 -8.305 1.00 34.11 H new ATOM 0 HZ3 LYS A 109 5.594 -11.311 -8.699 1.00 34.11 H new ATOM 1722 N VAL A 110 3.075 -4.256 -7.540 1.00 11.42 N ATOM 1723 CA VAL A 110 2.659 -3.416 -6.410 1.00 42.55 C ATOM 1724 C VAL A 110 2.072 -2.085 -6.896 1.00 13.33 C ATOM 1725 O VAL A 110 0.965 -1.703 -6.509 1.00 74.44 O ATOM 1726 CB VAL A 110 3.845 -3.120 -5.455 1.00 24.43 C ATOM 1727 CG1 VAL A 110 3.380 -2.313 -4.240 1.00 75.31 C ATOM 1728 CG2 VAL A 110 4.529 -4.417 -5.027 1.00 51.24 C ATOM 0 H VAL A 110 4.070 -4.482 -7.548 1.00 11.42 H new ATOM 0 HA VAL A 110 1.895 -3.975 -5.869 1.00 42.55 H new ATOM 0 HB VAL A 110 4.575 -2.517 -5.994 1.00 24.43 H new ATOM 0 HG11 VAL A 110 4.230 -2.118 -3.586 1.00 75.31 H new ATOM 0 HG12 VAL A 110 2.954 -1.367 -4.573 1.00 75.31 H new ATOM 0 HG13 VAL A 110 2.624 -2.879 -3.695 1.00 75.31 H new ATOM 0 HG21 VAL A 110 5.358 -4.187 -4.358 1.00 51.24 H new ATOM 0 HG22 VAL A 110 3.811 -5.054 -4.510 1.00 51.24 H new ATOM 0 HG23 VAL A 110 4.907 -4.937 -5.907 1.00 51.24 H new ATOM 1738 N LEU A 111 2.818 -1.387 -7.753 1.00 21.20 N ATOM 1739 CA LEU A 111 2.367 -0.108 -8.311 1.00 42.15 C ATOM 1740 C LEU A 111 1.033 -0.269 -9.059 1.00 12.25 C ATOM 1741 O LEU A 111 0.099 0.510 -8.862 1.00 22.30 O ATOM 1742 CB LEU A 111 3.435 0.466 -9.255 1.00 3.24 C ATOM 1743 CG LEU A 111 3.185 1.907 -9.735 1.00 12.42 C ATOM 1744 CD1 LEU A 111 3.096 2.866 -8.549 1.00 2.40 C ATOM 1745 CD2 LEU A 111 4.278 2.348 -10.709 1.00 33.45 C ATOM 0 H LEU A 111 3.738 -1.685 -8.077 1.00 21.20 H new ATOM 0 HA LEU A 111 2.212 0.585 -7.484 1.00 42.15 H new ATOM 0 HB2 LEU A 111 4.400 0.432 -8.749 1.00 3.24 H new ATOM 0 HB3 LEU A 111 3.510 -0.182 -10.128 1.00 3.24 H new ATOM 0 HG LEU A 111 2.230 1.930 -10.261 1.00 12.42 H new ATOM 0 HD11 LEU A 111 2.919 3.878 -8.912 1.00 2.40 H new ATOM 0 HD12 LEU A 111 2.275 2.565 -7.899 1.00 2.40 H new ATOM 0 HD13 LEU A 111 4.031 2.840 -7.989 1.00 2.40 H new ATOM 0 HD21 LEU A 111 4.083 3.369 -11.037 1.00 33.45 H new ATOM 0 HD22 LEU A 111 5.247 2.305 -10.212 1.00 33.45 H new ATOM 0 HD23 LEU A 111 4.284 1.684 -11.574 1.00 33.45 H new ATOM 1757 N SER A 112 0.949 -1.295 -9.909 1.00 43.24 N ATOM 1758 CA SER A 112 -0.285 -1.591 -10.654 1.00 34.13 C ATOM 1759 C SER A 112 -1.452 -1.900 -9.707 1.00 11.32 C ATOM 1760 O SER A 112 -2.598 -1.546 -9.982 1.00 30.22 O ATOM 1761 CB SER A 112 -0.070 -2.772 -11.613 1.00 21.45 C ATOM 1762 OG SER A 112 0.920 -2.468 -12.588 1.00 41.42 O ATOM 0 H SER A 112 1.718 -1.937 -10.101 1.00 43.24 H new ATOM 0 HA SER A 112 -0.537 -0.702 -11.232 1.00 34.13 H new ATOM 0 HB2 SER A 112 0.232 -3.653 -11.047 1.00 21.45 H new ATOM 0 HB3 SER A 112 -1.009 -3.017 -12.109 1.00 21.45 H new ATOM 0 HG SER A 112 1.809 -2.652 -12.220 1.00 41.42 H new ATOM 1768 N SER A 113 -1.156 -2.565 -8.592 1.00 42.40 N ATOM 1769 CA SER A 113 -2.169 -2.848 -7.564 1.00 24.21 C ATOM 1770 C SER A 113 -2.732 -1.548 -6.977 1.00 50.41 C ATOM 1771 O SER A 113 -3.948 -1.367 -6.890 1.00 73.41 O ATOM 1772 CB SER A 113 -1.568 -3.705 -6.442 1.00 13.20 C ATOM 1773 OG SER A 113 -2.530 -4.004 -5.442 1.00 43.40 O ATOM 0 H SER A 113 -0.225 -2.920 -8.373 1.00 42.40 H new ATOM 0 HA SER A 113 -2.983 -3.397 -8.037 1.00 24.21 H new ATOM 0 HB2 SER A 113 -1.177 -4.632 -6.861 1.00 13.20 H new ATOM 0 HB3 SER A 113 -0.726 -3.179 -5.992 1.00 13.20 H new ATOM 0 HG SER A 113 -3.079 -4.762 -5.732 1.00 43.40 H new ATOM 1779 N LEU A 114 -1.834 -0.638 -6.600 1.00 63.41 N ATOM 1780 CA LEU A 114 -2.221 0.667 -6.047 1.00 30.44 C ATOM 1781 C LEU A 114 -3.052 1.483 -7.054 1.00 10.24 C ATOM 1782 O LEU A 114 -4.083 2.064 -6.702 1.00 63.42 O ATOM 1783 CB LEU A 114 -0.967 1.453 -5.642 1.00 73.42 C ATOM 1784 CG LEU A 114 -0.065 0.754 -4.611 1.00 72.40 C ATOM 1785 CD1 LEU A 114 1.212 1.553 -4.378 1.00 5.15 C ATOM 1786 CD2 LEU A 114 -0.814 0.528 -3.298 1.00 63.54 C ATOM 0 H LEU A 114 -0.826 -0.779 -6.667 1.00 63.41 H new ATOM 0 HA LEU A 114 -2.841 0.490 -5.168 1.00 30.44 H new ATOM 0 HB2 LEU A 114 -0.379 1.656 -6.537 1.00 73.42 H new ATOM 0 HB3 LEU A 114 -1.276 2.417 -5.238 1.00 73.42 H new ATOM 0 HG LEU A 114 0.215 -0.220 -5.012 1.00 72.40 H new ATOM 0 HD11 LEU A 114 1.834 1.039 -3.645 1.00 5.15 H new ATOM 0 HD12 LEU A 114 1.759 1.647 -5.316 1.00 5.15 H new ATOM 0 HD13 LEU A 114 0.957 2.545 -4.006 1.00 5.15 H new ATOM 0 HD21 LEU A 114 -0.156 0.032 -2.584 1.00 63.54 H new ATOM 0 HD22 LEU A 114 -1.133 1.488 -2.891 1.00 63.54 H new ATOM 0 HD23 LEU A 114 -1.688 -0.097 -3.481 1.00 63.54 H new ATOM 1798 N VAL A 115 -2.598 1.520 -8.308 1.00 14.21 N ATOM 1799 CA VAL A 115 -3.330 2.209 -9.378 1.00 63.10 C ATOM 1800 C VAL A 115 -4.718 1.584 -9.594 1.00 11.14 C ATOM 1801 O VAL A 115 -5.717 2.294 -9.715 1.00 21.42 O ATOM 1802 CB VAL A 115 -2.540 2.190 -10.713 1.00 54.42 C ATOM 1803 CG1 VAL A 115 -3.320 2.894 -11.826 1.00 42.31 C ATOM 1804 CG2 VAL A 115 -1.168 2.831 -10.524 1.00 11.02 C ATOM 0 H VAL A 115 -1.728 1.082 -8.610 1.00 14.21 H new ATOM 0 HA VAL A 115 -3.452 3.245 -9.061 1.00 63.10 H new ATOM 0 HB VAL A 115 -2.401 1.151 -11.012 1.00 54.42 H new ATOM 0 HG11 VAL A 115 -2.742 2.865 -12.750 1.00 42.31 H new ATOM 0 HG12 VAL A 115 -4.273 2.388 -11.978 1.00 42.31 H new ATOM 0 HG13 VAL A 115 -3.501 3.931 -11.544 1.00 42.31 H new ATOM 0 HG21 VAL A 115 -0.624 2.811 -11.468 1.00 11.02 H new ATOM 0 HG22 VAL A 115 -1.291 3.864 -10.198 1.00 11.02 H new ATOM 0 HG23 VAL A 115 -0.608 2.277 -9.771 1.00 11.02 H new ATOM 1814 N THR A 116 -4.776 0.252 -9.634 1.00 11.04 N ATOM 1815 CA THR A 116 -6.056 -0.461 -9.752 1.00 31.15 C ATOM 1816 C THR A 116 -6.962 -0.169 -8.550 1.00 5.52 C ATOM 1817 O THR A 116 -8.176 -0.032 -8.698 1.00 75.02 O ATOM 1818 CB THR A 116 -5.863 -1.994 -9.878 1.00 34.22 C ATOM 1819 OG1 THR A 116 -5.097 -2.300 -11.055 1.00 42.32 O ATOM 1820 CG2 THR A 116 -7.208 -2.717 -9.944 1.00 63.21 C ATOM 0 H THR A 116 -3.958 -0.355 -9.587 1.00 11.04 H new ATOM 0 HA THR A 116 -6.527 -0.096 -10.664 1.00 31.15 H new ATOM 0 HB THR A 116 -5.328 -2.338 -8.992 1.00 34.22 H new ATOM 0 HG1 THR A 116 -4.150 -2.114 -10.886 1.00 42.32 H new ATOM 0 HG21 THR A 116 -7.040 -3.790 -10.032 1.00 63.21 H new ATOM 0 HG22 THR A 116 -7.776 -2.512 -9.037 1.00 63.21 H new ATOM 0 HG23 THR A 116 -7.768 -2.365 -10.810 1.00 63.21 H new ATOM 1828 N LEU A 117 -6.360 -0.071 -7.367 1.00 42.32 N ATOM 1829 CA LEU A 117 -7.090 0.272 -6.143 1.00 44.54 C ATOM 1830 C LEU A 117 -7.759 1.650 -6.271 1.00 12.34 C ATOM 1831 O LEU A 117 -8.904 1.837 -5.856 1.00 53.40 O ATOM 1832 CB LEU A 117 -6.137 0.240 -4.938 1.00 40.22 C ATOM 1833 CG LEU A 117 -6.781 0.526 -3.571 1.00 45.43 C ATOM 1834 CD1 LEU A 117 -7.887 -0.479 -3.265 1.00 4.44 C ATOM 1835 CD2 LEU A 117 -5.726 0.510 -2.473 1.00 25.12 C ATOM 0 H LEU A 117 -5.361 -0.225 -7.227 1.00 42.32 H new ATOM 0 HA LEU A 117 -7.876 -0.467 -5.989 1.00 44.54 H new ATOM 0 HB2 LEU A 117 -5.664 -0.741 -4.898 1.00 40.22 H new ATOM 0 HB3 LEU A 117 -5.344 0.969 -5.105 1.00 40.22 H new ATOM 0 HG LEU A 117 -7.230 1.519 -3.609 1.00 45.43 H new ATOM 0 HD11 LEU A 117 -8.325 -0.253 -2.293 1.00 4.44 H new ATOM 0 HD12 LEU A 117 -8.658 -0.417 -4.033 1.00 4.44 H new ATOM 0 HD13 LEU A 117 -7.470 -1.486 -3.250 1.00 4.44 H new ATOM 0 HD21 LEU A 117 -6.198 0.714 -1.512 1.00 25.12 H new ATOM 0 HD22 LEU A 117 -5.248 -0.469 -2.442 1.00 25.12 H new ATOM 0 HD23 LEU A 117 -4.976 1.274 -2.678 1.00 25.12 H new ATOM 1847 N ASN A 118 -7.040 2.608 -6.858 1.00 1.13 N ATOM 1848 CA ASN A 118 -7.610 3.925 -7.173 1.00 20.34 C ATOM 1849 C ASN A 118 -8.717 3.796 -8.239 1.00 74.03 C ATOM 1850 O ASN A 118 -9.801 4.353 -8.091 1.00 3.33 O ATOM 1851 CB ASN A 118 -6.504 4.872 -7.669 1.00 15.14 C ATOM 1852 CG ASN A 118 -7.021 6.263 -8.016 1.00 34.11 C ATOM 1853 OD1 ASN A 118 -7.432 6.525 -9.140 1.00 32.23 O ATOM 1854 ND2 ASN A 118 -6.994 7.167 -7.058 1.00 1.01 N ATOM 0 H ASN A 118 -6.062 2.500 -7.126 1.00 1.13 H new ATOM 0 HA ASN A 118 -8.052 4.338 -6.266 1.00 20.34 H new ATOM 0 HB2 ASN A 118 -5.735 4.957 -6.901 1.00 15.14 H new ATOM 0 HB3 ASN A 118 -6.029 4.437 -8.548 1.00 15.14 H new ATOM 0 HD21 ASN A 118 -7.321 8.115 -7.242 1.00 1.01 H new ATOM 0 HD22 ASN A 118 -6.646 6.918 -6.132 1.00 1.01 H new ATOM 1861 N LYS A 119 -8.429 3.039 -9.298 1.00 54.41 N ATOM 1862 CA LYS A 119 -9.370 2.832 -10.408 1.00 42.00 C ATOM 1863 C LYS A 119 -10.728 2.286 -9.931 1.00 12.12 C ATOM 1864 O LYS A 119 -11.774 2.881 -10.194 1.00 1.31 O ATOM 1865 CB LYS A 119 -8.756 1.866 -11.438 1.00 3.34 C ATOM 1866 CG LYS A 119 -7.626 2.473 -12.267 1.00 24.22 C ATOM 1867 CD LYS A 119 -6.911 1.422 -13.122 1.00 3.33 C ATOM 1868 CE LYS A 119 -7.867 0.661 -14.039 1.00 41.30 C ATOM 1869 NZ LYS A 119 -8.534 1.547 -15.030 1.00 20.11 N ATOM 0 H LYS A 119 -7.540 2.552 -9.414 1.00 54.41 H new ATOM 0 HA LYS A 119 -9.551 3.804 -10.866 1.00 42.00 H new ATOM 0 HB2 LYS A 119 -8.377 0.988 -10.915 1.00 3.34 H new ATOM 0 HB3 LYS A 119 -9.542 1.522 -12.111 1.00 3.34 H new ATOM 0 HG2 LYS A 119 -8.029 3.252 -12.913 1.00 24.22 H new ATOM 0 HG3 LYS A 119 -6.906 2.951 -11.603 1.00 24.22 H new ATOM 0 HD2 LYS A 119 -6.146 1.910 -13.726 1.00 3.33 H new ATOM 0 HD3 LYS A 119 -6.399 0.715 -12.469 1.00 3.33 H new ATOM 0 HE2 LYS A 119 -7.316 -0.118 -14.566 1.00 41.30 H new ATOM 0 HE3 LYS A 119 -8.625 0.162 -13.435 1.00 41.30 H new ATOM 0 HZ1 LYS A 119 -9.158 0.980 -15.638 1.00 20.11 H new ATOM 0 HZ2 LYS A 119 -9.096 2.265 -14.530 1.00 20.11 H new ATOM 0 HZ3 LYS A 119 -7.814 2.017 -15.616 1.00 20.11 H new ATOM 1883 N VAL A 120 -10.702 1.156 -9.227 1.00 41.22 N ATOM 1884 CA VAL A 120 -11.932 0.484 -8.790 1.00 2.44 C ATOM 1885 C VAL A 120 -12.742 1.324 -7.786 1.00 11.22 C ATOM 1886 O VAL A 120 -13.953 1.480 -7.935 1.00 23.02 O ATOM 1887 CB VAL A 120 -11.635 -0.913 -8.182 1.00 14.10 C ATOM 1888 CG1 VAL A 120 -11.045 -1.844 -9.239 1.00 70.41 C ATOM 1889 CG2 VAL A 120 -10.700 -0.805 -6.978 1.00 15.54 C ATOM 0 H VAL A 120 -9.843 0.683 -8.945 1.00 41.22 H new ATOM 0 HA VAL A 120 -12.537 0.360 -9.688 1.00 2.44 H new ATOM 0 HB VAL A 120 -12.578 -1.335 -7.836 1.00 14.10 H new ATOM 0 HG11 VAL A 120 -10.843 -2.818 -8.794 1.00 70.41 H new ATOM 0 HG12 VAL A 120 -11.754 -1.959 -10.059 1.00 70.41 H new ATOM 0 HG13 VAL A 120 -10.116 -1.420 -9.620 1.00 70.41 H new ATOM 0 HG21 VAL A 120 -10.511 -1.800 -6.574 1.00 15.54 H new ATOM 0 HG22 VAL A 120 -9.758 -0.354 -7.289 1.00 15.54 H new ATOM 0 HG23 VAL A 120 -11.164 -0.184 -6.211 1.00 15.54 H new ATOM 1899 N THR A 121 -12.077 1.883 -6.774 1.00 65.02 N ATOM 1900 CA THR A 121 -12.771 2.665 -5.740 1.00 5.12 C ATOM 1901 C THR A 121 -13.285 4.000 -6.297 1.00 31.34 C ATOM 1902 O THR A 121 -14.365 4.462 -5.922 1.00 41.21 O ATOM 1903 CB THR A 121 -11.876 2.926 -4.504 1.00 15.01 C ATOM 1904 OG1 THR A 121 -10.691 3.636 -4.892 1.00 42.33 O ATOM 1905 CG2 THR A 121 -11.493 1.613 -3.819 1.00 15.03 C ATOM 0 H THR A 121 -11.068 1.812 -6.645 1.00 65.02 H new ATOM 0 HA THR A 121 -13.622 2.063 -5.422 1.00 5.12 H new ATOM 0 HB THR A 121 -12.443 3.532 -3.797 1.00 15.01 H new ATOM 0 HG1 THR A 121 -10.062 3.016 -5.316 1.00 42.33 H new ATOM 0 HG21 THR A 121 -10.864 1.824 -2.954 1.00 15.03 H new ATOM 0 HG22 THR A 121 -12.396 1.095 -3.494 1.00 15.03 H new ATOM 0 HG23 THR A 121 -10.946 0.983 -4.520 1.00 15.03 H new ATOM 1913 N ALA A 122 -12.522 4.611 -7.203 1.00 42.15 N ATOM 1914 CA ALA A 122 -12.975 5.822 -7.898 1.00 44.33 C ATOM 1915 C ALA A 122 -14.233 5.532 -8.728 1.00 41.42 C ATOM 1916 O ALA A 122 -15.136 6.364 -8.826 1.00 63.44 O ATOM 1917 CB ALA A 122 -11.866 6.380 -8.782 1.00 34.12 C ATOM 0 H ALA A 122 -11.592 4.292 -7.474 1.00 42.15 H new ATOM 0 HA ALA A 122 -13.226 6.572 -7.148 1.00 44.33 H new ATOM 0 HB1 ALA A 122 -12.221 7.277 -9.289 1.00 34.12 H new ATOM 0 HB2 ALA A 122 -11.001 6.629 -8.167 1.00 34.12 H new ATOM 0 HB3 ALA A 122 -11.581 5.633 -9.523 1.00 34.12 H new ATOM 1923 N ASP A 123 -14.286 4.334 -9.309 1.00 4.13 N ATOM 1924 CA ASP A 123 -15.456 3.879 -10.067 1.00 34.43 C ATOM 1925 C ASP A 123 -16.666 3.674 -9.126 1.00 23.32 C ATOM 1926 O ASP A 123 -17.821 3.819 -9.532 1.00 50.24 O ATOM 1927 CB ASP A 123 -15.107 2.573 -10.799 1.00 2.52 C ATOM 1928 CG ASP A 123 -16.145 2.172 -11.833 1.00 33.41 C ATOM 1929 OD1 ASP A 123 -17.147 1.525 -11.464 1.00 70.23 O ATOM 1930 OD2 ASP A 123 -15.960 2.497 -13.026 1.00 41.14 O ATOM 0 H ASP A 123 -13.526 3.654 -9.270 1.00 4.13 H new ATOM 0 HA ASP A 123 -15.730 4.638 -10.800 1.00 34.43 H new ATOM 0 HB2 ASP A 123 -14.140 2.686 -11.289 1.00 2.52 H new ATOM 0 HB3 ASP A 123 -15.003 1.771 -10.068 1.00 2.52 H new