USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 68 THR OG1 : rot 180:sc= -0.0707 USER MOD Set 1.2: A 69 ASN : amide:sc= -3.58 K(o=-3.7,f=-6.4!) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -131:sc= -0.551 (180deg=-3.52!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 49:sc= 0.0568 USER MOD Single : A 24 THR OG1 : rot 82:sc= -0.157 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00681 USER MOD Single : A 27 ASN : amide:sc= -0.902 X(o=-0.9,f=-1) USER MOD Single : A 30 SER OG : rot -117:sc= 1.04 USER MOD Single : A 36 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.12) USER MOD Single : A 39 SER OG : rot 167:sc= -0.602 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 138:sc= 0.384 (180deg=-0.436) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0153 (180deg=-0.183) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.289 K(o=-0.29,f=-0.95) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00296 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 83 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 76:sc= 0.526 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 11.229 10.575 -9.963 1.00 4.44 N ATOM 169 CA HIS A 12 10.883 11.960 -9.663 1.00 13.10 C ATOM 170 C HIS A 12 11.295 12.328 -8.241 1.00 34.34 C ATOM 171 O HIS A 12 11.282 11.486 -7.342 1.00 72.14 O ATOM 172 CB HIS A 12 9.381 12.183 -9.845 1.00 61.03 C ATOM 173 CG HIS A 12 9.043 13.497 -10.479 1.00 2.54 C ATOM 174 ND1 HIS A 12 9.044 14.689 -9.785 1.00 52.31 N ATOM 175 CD2 HIS A 12 8.694 13.804 -11.750 1.00 62.10 C ATOM 176 CE1 HIS A 12 8.708 15.672 -10.602 1.00 60.31 C ATOM 177 NE2 HIS A 12 8.491 15.161 -11.801 1.00 1.03 N ATOM 0 HA HIS A 12 11.425 12.602 -10.357 1.00 13.10 H new ATOM 0 HB2 HIS A 12 8.974 11.378 -10.457 1.00 61.03 H new ATOM 0 HB3 HIS A 12 8.892 12.122 -8.873 1.00 61.03 H new ATOM 0 HD2 HIS A 12 8.594 13.110 -12.572 1.00 62.10 H new ATOM 0 HE1 HIS A 12 8.625 16.715 -10.335 1.00 60.31 H new ATOM 0 HE2 HIS A 12 8.217 15.689 -12.630 1.00 1.03 H new ATOM 185 N VAL A 13 11.660 13.590 -8.043 1.00 45.32 N ATOM 186 CA VAL A 13 12.076 14.070 -6.730 1.00 71.53 C ATOM 187 C VAL A 13 10.876 14.524 -5.906 1.00 65.22 C ATOM 188 O VAL A 13 10.033 15.282 -6.386 1.00 35.44 O ATOM 189 CB VAL A 13 13.075 15.236 -6.849 1.00 32.01 C ATOM 190 CG1 VAL A 13 13.479 15.736 -5.470 1.00 75.31 C ATOM 191 CG2 VAL A 13 14.296 14.811 -7.650 1.00 4.40 C ATOM 0 H VAL A 13 11.676 14.300 -8.776 1.00 45.32 H new ATOM 0 HA VAL A 13 12.563 13.235 -6.227 1.00 71.53 H new ATOM 0 HB VAL A 13 12.589 16.056 -7.378 1.00 32.01 H new ATOM 0 HG11 VAL A 13 14.185 16.560 -5.574 1.00 75.31 H new ATOM 0 HG12 VAL A 13 12.595 16.082 -4.935 1.00 75.31 H new ATOM 0 HG13 VAL A 13 13.947 14.925 -4.912 1.00 75.31 H new ATOM 0 HG21 VAL A 13 14.991 15.647 -7.724 1.00 4.40 H new ATOM 0 HG22 VAL A 13 14.786 13.975 -7.151 1.00 4.40 H new ATOM 0 HG23 VAL A 13 13.987 14.506 -8.650 1.00 4.40 H new ATOM 201 N ILE A 14 10.808 14.056 -4.664 1.00 53.34 N ATOM 202 CA ILE A 14 9.712 14.416 -3.773 1.00 21.11 C ATOM 203 C ILE A 14 9.833 15.864 -3.310 1.00 32.10 C ATOM 204 O ILE A 14 10.790 16.559 -3.651 1.00 22.10 O ATOM 205 CB ILE A 14 9.666 13.496 -2.538 1.00 52.33 C ATOM 206 CG1 ILE A 14 10.658 13.979 -1.478 1.00 54.21 C ATOM 207 CG2 ILE A 14 9.966 12.059 -2.937 1.00 1.10 C ATOM 208 CD1 ILE A 14 12.075 14.108 -1.990 1.00 60.45 C ATOM 0 H ILE A 14 11.498 13.428 -4.252 1.00 53.34 H new ATOM 0 HA ILE A 14 8.790 14.295 -4.341 1.00 21.11 H new ATOM 0 HB ILE A 14 8.663 13.532 -2.113 1.00 52.33 H new ATOM 0 HG12 ILE A 14 10.328 14.946 -1.098 1.00 54.21 H new ATOM 0 HG13 ILE A 14 10.646 13.285 -0.638 1.00 54.21 H new ATOM 0 HG21 ILE A 14 9.930 11.421 -2.054 1.00 1.10 H new ATOM 0 HG22 ILE A 14 9.224 11.720 -3.660 1.00 1.10 H new ATOM 0 HG23 ILE A 14 10.959 12.005 -3.383 1.00 1.10 H new ATOM 0 HD11 ILE A 14 12.723 14.455 -1.185 1.00 60.45 H new ATOM 0 HD12 ILE A 14 12.424 13.138 -2.344 1.00 60.45 H new ATOM 0 HD13 ILE A 14 12.101 14.825 -2.811 1.00 60.45 H new ATOM 220 N LYS A 15 8.856 16.313 -2.529 1.00 70.12 N ATOM 221 CA LYS A 15 8.853 17.677 -2.015 1.00 54.53 C ATOM 222 C LYS A 15 7.880 17.817 -0.849 1.00 13.21 C ATOM 223 O LYS A 15 7.233 18.852 -0.688 1.00 42.31 O ATOM 224 CB LYS A 15 8.479 18.662 -3.126 1.00 34.40 C ATOM 225 CG LYS A 15 9.299 19.940 -3.108 1.00 21.31 C ATOM 226 CD LYS A 15 8.499 21.108 -2.557 1.00 1.21 C ATOM 227 CE LYS A 15 8.972 22.431 -3.140 1.00 11.35 C ATOM 228 NZ LYS A 15 8.295 22.743 -4.429 1.00 12.13 N ATOM 0 H LYS A 15 8.056 15.751 -2.238 1.00 70.12 H new ATOM 0 HA LYS A 15 9.857 17.906 -1.657 1.00 54.53 H new ATOM 0 HB2 LYS A 15 8.606 18.173 -4.092 1.00 34.40 H new ATOM 0 HB3 LYS A 15 7.423 18.917 -3.034 1.00 34.40 H new ATOM 0 HG2 LYS A 15 10.192 19.792 -2.502 1.00 21.31 H new ATOM 0 HG3 LYS A 15 9.635 20.172 -4.119 1.00 21.31 H new ATOM 0 HD2 LYS A 15 7.442 20.966 -2.784 1.00 1.21 H new ATOM 0 HD3 LYS A 15 8.591 21.134 -1.471 1.00 1.21 H new ATOM 0 HE2 LYS A 15 8.780 23.232 -2.426 1.00 11.35 H new ATOM 0 HE3 LYS A 15 10.050 22.394 -3.296 1.00 11.35 H new ATOM 0 HZ1 LYS A 15 8.645 23.652 -4.794 1.00 12.13 H new ATOM 0 HZ2 LYS A 15 8.499 21.992 -5.119 1.00 12.13 H new ATOM 0 HZ3 LYS A 15 7.268 22.803 -4.276 1.00 12.13 H new ATOM 242 N SER A 16 7.782 16.769 -0.037 1.00 10.41 N ATOM 243 CA SER A 16 6.886 16.775 1.114 1.00 61.03 C ATOM 244 C SER A 16 7.238 15.649 2.081 1.00 34.12 C ATOM 245 O SER A 16 7.923 14.692 1.717 1.00 52.43 O ATOM 246 CB SER A 16 5.433 16.634 0.656 1.00 0.50 C ATOM 247 OG SER A 16 4.733 17.858 0.800 1.00 75.12 O ATOM 0 H SER A 16 8.312 15.905 -0.155 1.00 10.41 H new ATOM 0 HA SER A 16 7.005 17.726 1.632 1.00 61.03 H new ATOM 0 HB2 SER A 16 5.406 16.316 -0.386 1.00 0.50 H new ATOM 0 HB3 SER A 16 4.938 15.857 1.239 1.00 0.50 H new ATOM 0 HG SER A 16 5.263 18.585 0.411 1.00 75.12 H new ATOM 253 N LEU A 17 6.764 15.770 3.316 1.00 33.44 N ATOM 254 CA LEU A 17 7.027 14.763 4.339 1.00 71.44 C ATOM 255 C LEU A 17 6.335 13.447 3.998 1.00 73.24 C ATOM 256 O LEU A 17 6.974 12.398 3.931 1.00 21.45 O ATOM 257 CB LEU A 17 6.556 15.260 5.706 1.00 11.41 C ATOM 258 CG LEU A 17 7.412 14.845 6.903 1.00 31.20 C ATOM 259 CD1 LEU A 17 8.739 15.587 6.893 1.00 2.04 C ATOM 260 CD2 LEU A 17 6.667 15.098 8.205 1.00 34.14 C ATOM 0 H LEU A 17 6.196 16.555 3.634 1.00 33.44 H new ATOM 0 HA LEU A 17 8.102 14.589 4.374 1.00 71.44 H new ATOM 0 HB2 LEU A 17 6.510 16.349 5.678 1.00 11.41 H new ATOM 0 HB3 LEU A 17 5.540 14.902 5.870 1.00 11.41 H new ATOM 0 HG LEU A 17 7.616 13.777 6.826 1.00 31.20 H new ATOM 0 HD11 LEU A 17 9.335 15.279 7.752 1.00 2.04 H new ATOM 0 HD12 LEU A 17 9.279 15.355 5.975 1.00 2.04 H new ATOM 0 HD13 LEU A 17 8.556 16.660 6.945 1.00 2.04 H new ATOM 0 HD21 LEU A 17 7.292 14.797 9.046 1.00 34.14 H new ATOM 0 HD22 LEU A 17 6.432 16.159 8.289 1.00 34.14 H new ATOM 0 HD23 LEU A 17 5.743 14.520 8.214 1.00 34.14 H new ATOM 272 N GLU A 18 5.025 13.512 3.780 1.00 32.03 N ATOM 273 CA GLU A 18 4.247 12.325 3.445 1.00 51.24 C ATOM 274 C GLU A 18 4.883 11.568 2.282 1.00 1.42 C ATOM 275 O GLU A 18 5.053 10.351 2.340 1.00 13.11 O ATOM 276 CB GLU A 18 2.810 12.714 3.089 1.00 22.31 C ATOM 277 CG GLU A 18 2.718 13.815 2.046 1.00 73.40 C ATOM 278 CD GLU A 18 1.305 14.337 1.873 1.00 52.01 C ATOM 279 OE1 GLU A 18 0.755 14.892 2.847 1.00 34.12 O ATOM 280 OE2 GLU A 18 0.749 14.191 0.764 1.00 3.02 O ATOM 0 H GLU A 18 4.481 14.373 3.829 1.00 32.03 H new ATOM 0 HA GLU A 18 4.234 11.672 4.318 1.00 51.24 H new ATOM 0 HB2 GLU A 18 2.284 11.833 2.722 1.00 22.31 H new ATOM 0 HB3 GLU A 18 2.296 13.038 3.994 1.00 22.31 H new ATOM 0 HG2 GLU A 18 3.373 14.638 2.333 1.00 73.40 H new ATOM 0 HG3 GLU A 18 3.081 13.437 1.090 1.00 73.40 H new ATOM 287 N GLU A 19 5.232 12.299 1.228 1.00 2.41 N ATOM 288 CA GLU A 19 5.848 11.697 0.052 1.00 62.13 C ATOM 289 C GLU A 19 7.081 10.885 0.439 1.00 41.23 C ATOM 290 O GLU A 19 7.345 9.825 -0.131 1.00 52.40 O ATOM 291 CB GLU A 19 6.233 12.778 -0.960 1.00 52.13 C ATOM 292 CG GLU A 19 6.106 12.331 -2.407 1.00 23.42 C ATOM 293 CD GLU A 19 4.691 12.458 -2.935 1.00 74.40 C ATOM 294 OE1 GLU A 19 4.432 13.397 -3.717 1.00 31.50 O ATOM 295 OE2 GLU A 19 3.842 11.619 -2.567 1.00 12.12 O ATOM 0 H GLU A 19 5.099 13.308 1.165 1.00 2.41 H new ATOM 0 HA GLU A 19 5.120 11.026 -0.404 1.00 62.13 H new ATOM 0 HB2 GLU A 19 5.602 13.653 -0.802 1.00 52.13 H new ATOM 0 HB3 GLU A 19 7.261 13.089 -0.774 1.00 52.13 H new ATOM 0 HG2 GLU A 19 6.776 12.926 -3.027 1.00 23.42 H new ATOM 0 HG3 GLU A 19 6.430 11.294 -2.493 1.00 23.42 H new ATOM 302 N LEU A 20 7.833 11.390 1.410 1.00 3.12 N ATOM 303 CA LEU A 20 9.040 10.713 1.874 1.00 15.42 C ATOM 304 C LEU A 20 8.689 9.452 2.657 1.00 2.01 C ATOM 305 O LEU A 20 9.005 8.340 2.235 1.00 61.42 O ATOM 306 CB LEU A 20 9.872 11.654 2.747 1.00 43.12 C ATOM 307 CG LEU A 20 11.390 11.515 2.625 1.00 21.43 C ATOM 308 CD1 LEU A 20 11.875 12.093 1.305 1.00 4.12 C ATOM 309 CD2 LEU A 20 12.084 12.196 3.796 1.00 52.44 C ATOM 0 H LEU A 20 7.629 12.266 1.892 1.00 3.12 H new ATOM 0 HA LEU A 20 9.625 10.425 1.000 1.00 15.42 H new ATOM 0 HB2 LEU A 20 9.600 12.681 2.501 1.00 43.12 H new ATOM 0 HB3 LEU A 20 9.595 11.491 3.789 1.00 43.12 H new ATOM 0 HG LEU A 20 11.641 10.455 2.647 1.00 21.43 H new ATOM 0 HD11 LEU A 20 12.957 11.985 1.236 1.00 4.12 H new ATOM 0 HD12 LEU A 20 11.404 11.560 0.479 1.00 4.12 H new ATOM 0 HD13 LEU A 20 11.612 13.149 1.252 1.00 4.12 H new ATOM 0 HD21 LEU A 20 13.164 12.087 3.693 1.00 52.44 H new ATOM 0 HD22 LEU A 20 11.826 13.255 3.806 1.00 52.44 H new ATOM 0 HD23 LEU A 20 11.761 11.735 4.729 1.00 52.44 H new ATOM 321 N ARG A 21 8.033 9.633 3.798 1.00 11.45 N ATOM 322 CA ARG A 21 7.639 8.510 4.640 1.00 74.02 C ATOM 323 C ARG A 21 6.893 7.456 3.826 1.00 44.33 C ATOM 324 O ARG A 21 6.952 6.266 4.132 1.00 2.01 O ATOM 325 CB ARG A 21 6.759 8.994 5.794 1.00 22.13 C ATOM 326 CG ARG A 21 7.340 8.699 7.168 1.00 44.55 C ATOM 327 CD ARG A 21 6.267 8.725 8.244 1.00 74.30 C ATOM 328 NE ARG A 21 6.138 10.044 8.858 1.00 70.41 N ATOM 329 CZ ARG A 21 5.395 10.285 9.932 1.00 31.23 C ATOM 330 NH1 ARG A 21 4.718 9.301 10.509 1.00 51.23 N ATOM 331 NH2 ARG A 21 5.328 11.512 10.433 1.00 64.04 N ATOM 0 H ARG A 21 7.763 10.547 4.161 1.00 11.45 H new ATOM 0 HA ARG A 21 8.544 8.058 5.046 1.00 74.02 H new ATOM 0 HB2 ARG A 21 6.606 10.069 5.697 1.00 22.13 H new ATOM 0 HB3 ARG A 21 5.779 8.524 5.715 1.00 22.13 H new ATOM 0 HG2 ARG A 21 7.823 7.722 7.158 1.00 44.55 H new ATOM 0 HG3 ARG A 21 8.111 9.433 7.403 1.00 44.55 H new ATOM 0 HD2 ARG A 21 5.311 8.433 7.810 1.00 74.30 H new ATOM 0 HD3 ARG A 21 6.506 7.990 9.012 1.00 74.30 H new ATOM 0 HE ARG A 21 6.646 10.823 8.439 1.00 70.41 H new ATOM 0 HH11 ARG A 21 4.767 8.356 10.128 1.00 51.23 H new ATOM 0 HH12 ARG A 21 4.148 9.489 11.334 1.00 51.23 H new ATOM 0 HH21 ARG A 21 5.848 12.272 9.993 1.00 64.04 H new ATOM 0 HH22 ARG A 21 4.757 11.696 11.258 1.00 64.04 H new ATOM 345 N GLU A 22 6.193 7.904 2.788 1.00 31.31 N ATOM 346 CA GLU A 22 5.435 6.999 1.932 1.00 64.15 C ATOM 347 C GLU A 22 6.370 6.164 1.061 1.00 40.24 C ATOM 348 O GLU A 22 6.267 4.939 1.019 1.00 63.41 O ATOM 349 CB GLU A 22 4.467 7.788 1.048 1.00 11.33 C ATOM 350 CG GLU A 22 3.668 6.918 0.093 1.00 52.44 C ATOM 351 CD GLU A 22 2.757 7.728 -0.810 1.00 63.23 C ATOM 352 OE1 GLU A 22 2.089 8.652 -0.302 1.00 53.44 O ATOM 353 OE2 GLU A 22 2.713 7.437 -2.024 1.00 20.12 O ATOM 0 H GLU A 22 6.135 8.886 2.520 1.00 31.31 H new ATOM 0 HA GLU A 22 4.865 6.326 2.573 1.00 64.15 H new ATOM 0 HB2 GLU A 22 3.777 8.343 1.684 1.00 11.33 H new ATOM 0 HB3 GLU A 22 5.030 8.522 0.472 1.00 11.33 H new ATOM 0 HG2 GLU A 22 4.354 6.333 -0.520 1.00 52.44 H new ATOM 0 HG3 GLU A 22 3.069 6.210 0.666 1.00 52.44 H new ATOM 360 N ALA A 23 7.281 6.838 0.366 1.00 70.10 N ATOM 361 CA ALA A 23 8.235 6.160 -0.503 1.00 33.41 C ATOM 362 C ALA A 23 9.056 5.137 0.276 1.00 52.24 C ATOM 363 O ALA A 23 9.573 4.176 -0.295 1.00 33.24 O ATOM 364 CB ALA A 23 9.150 7.173 -1.175 1.00 75.40 C ATOM 0 H ALA A 23 7.378 7.853 0.388 1.00 70.10 H new ATOM 0 HA ALA A 23 7.674 5.628 -1.272 1.00 33.41 H new ATOM 0 HB1 ALA A 23 9.857 6.652 -1.821 1.00 75.40 H new ATOM 0 HB2 ALA A 23 8.553 7.863 -1.772 1.00 75.40 H new ATOM 0 HB3 ALA A 23 9.696 7.731 -0.414 1.00 75.40 H new ATOM 370 N THR A 24 9.173 5.351 1.583 1.00 62.34 N ATOM 371 CA THR A 24 9.933 4.449 2.439 1.00 1.11 C ATOM 372 C THR A 24 9.127 3.200 2.775 1.00 33.11 C ATOM 373 O THR A 24 9.687 2.169 3.145 1.00 22.22 O ATOM 374 CB THR A 24 10.356 5.141 3.749 1.00 53.23 C ATOM 375 OG1 THR A 24 9.545 6.300 3.974 1.00 32.43 O ATOM 376 CG2 THR A 24 11.822 5.544 3.699 1.00 32.02 C ATOM 0 H THR A 24 8.751 6.141 2.071 1.00 62.34 H new ATOM 0 HA THR A 24 10.826 4.163 1.883 1.00 1.11 H new ATOM 0 HB THR A 24 10.217 4.436 4.568 1.00 53.23 H new ATOM 0 HG1 THR A 24 8.695 6.031 4.381 1.00 32.43 H new ATOM 0 HG21 THR A 24 12.098 6.031 4.635 1.00 32.02 H new ATOM 0 HG22 THR A 24 12.439 4.657 3.556 1.00 32.02 H new ATOM 0 HG23 THR A 24 11.982 6.234 2.870 1.00 32.02 H new ATOM 384 N ALA A 25 7.808 3.299 2.643 1.00 40.20 N ATOM 385 CA ALA A 25 6.925 2.176 2.930 1.00 33.12 C ATOM 386 C ALA A 25 6.400 1.547 1.644 1.00 43.03 C ATOM 387 O ALA A 25 5.469 0.742 1.670 1.00 44.14 O ATOM 388 CB ALA A 25 5.768 2.626 3.810 1.00 73.31 C ATOM 0 H ALA A 25 7.328 4.146 2.339 1.00 40.20 H new ATOM 0 HA ALA A 25 7.501 1.420 3.464 1.00 33.12 H new ATOM 0 HB1 ALA A 25 5.116 1.777 4.016 1.00 73.31 H new ATOM 0 HB2 ALA A 25 6.157 3.022 4.748 1.00 73.31 H new ATOM 0 HB3 ALA A 25 5.201 3.402 3.296 1.00 73.31 H new ATOM 394 N SER A 26 7.003 1.920 0.519 1.00 3.25 N ATOM 395 CA SER A 26 6.594 1.396 -0.778 1.00 74.20 C ATOM 396 C SER A 26 6.981 -0.073 -0.917 1.00 71.41 C ATOM 397 O SER A 26 7.749 -0.603 -0.115 1.00 11.41 O ATOM 398 CB SER A 26 7.230 2.211 -1.905 1.00 54.53 C ATOM 399 OG SER A 26 6.584 3.464 -2.055 1.00 5.31 O ATOM 0 H SER A 26 7.777 2.583 0.481 1.00 3.25 H new ATOM 0 HA SER A 26 5.509 1.477 -0.849 1.00 74.20 H new ATOM 0 HB2 SER A 26 8.288 2.367 -1.693 1.00 54.53 H new ATOM 0 HB3 SER A 26 7.171 1.653 -2.840 1.00 54.53 H new ATOM 0 HG SER A 26 7.010 3.967 -2.780 1.00 5.31 H new ATOM 405 N ASN A 27 6.443 -0.726 -1.942 1.00 75.20 N ATOM 406 CA ASN A 27 6.730 -2.135 -2.187 1.00 45.32 C ATOM 407 C ASN A 27 7.868 -2.291 -3.192 1.00 0.41 C ATOM 408 O ASN A 27 7.857 -3.200 -4.021 1.00 72.24 O ATOM 409 CB ASN A 27 5.480 -2.851 -2.701 1.00 14.50 C ATOM 410 CG ASN A 27 5.162 -2.497 -4.141 1.00 73.00 C ATOM 411 OD1 ASN A 27 5.474 -3.253 -5.061 1.00 45.10 O ATOM 412 ND2 ASN A 27 4.537 -1.343 -4.343 1.00 12.34 N ATOM 0 H ASN A 27 5.806 -0.302 -2.616 1.00 75.20 H new ATOM 0 HA ASN A 27 7.036 -2.587 -1.243 1.00 45.32 H new ATOM 0 HB2 ASN A 27 5.622 -3.929 -2.617 1.00 14.50 H new ATOM 0 HB3 ASN A 27 4.630 -2.591 -2.070 1.00 14.50 H new ATOM 0 HD21 ASN A 27 4.297 -1.052 -5.291 1.00 12.34 H new ATOM 0 HD22 ASN A 27 4.297 -0.747 -3.551 1.00 12.34 H new ATOM 419 N ARG A 28 8.849 -1.397 -3.110 1.00 73.34 N ATOM 420 CA ARG A 28 9.993 -1.435 -4.012 1.00 44.04 C ATOM 421 C ARG A 28 11.277 -1.059 -3.278 1.00 30.11 C ATOM 422 O ARG A 28 11.295 -0.960 -2.051 1.00 10.13 O ATOM 423 CB ARG A 28 9.772 -0.486 -5.192 1.00 33.30 C ATOM 424 CG ARG A 28 10.142 -1.090 -6.537 1.00 13.01 C ATOM 425 CD ARG A 28 9.128 -2.135 -6.977 1.00 13.54 C ATOM 426 NE ARG A 28 9.301 -2.510 -8.377 1.00 52.24 N ATOM 427 CZ ARG A 28 10.283 -3.291 -8.813 1.00 2.40 C ATOM 428 NH1 ARG A 28 11.176 -3.777 -7.961 1.00 55.42 N ATOM 429 NH2 ARG A 28 10.374 -3.587 -10.103 1.00 61.31 N ATOM 0 H ARG A 28 8.874 -0.639 -2.428 1.00 73.34 H new ATOM 0 HA ARG A 28 10.093 -2.453 -4.387 1.00 44.04 H new ATOM 0 HB2 ARG A 28 8.725 -0.185 -5.214 1.00 33.30 H new ATOM 0 HB3 ARG A 28 10.360 0.418 -5.035 1.00 33.30 H new ATOM 0 HG2 ARG A 28 10.202 -0.301 -7.287 1.00 13.01 H new ATOM 0 HG3 ARG A 28 11.130 -1.545 -6.473 1.00 13.01 H new ATOM 0 HD2 ARG A 28 9.225 -3.021 -6.350 1.00 13.54 H new ATOM 0 HD3 ARG A 28 8.120 -1.748 -6.827 1.00 13.54 H new ATOM 0 HE ARG A 28 8.631 -2.153 -9.058 1.00 52.24 H new ATOM 0 HH11 ARG A 28 11.110 -3.551 -6.969 1.00 55.42 H new ATOM 0 HH12 ARG A 28 11.929 -4.377 -8.298 1.00 55.42 H new ATOM 0 HH21 ARG A 28 9.689 -3.215 -10.761 1.00 61.31 H new ATOM 0 HH22 ARG A 28 11.129 -4.187 -10.437 1.00 61.31 H new ATOM 443 N ILE A 29 12.348 -0.852 -4.037 1.00 32.11 N ATOM 444 CA ILE A 29 13.635 -0.487 -3.458 1.00 73.00 C ATOM 445 C ILE A 29 14.158 0.814 -4.058 1.00 30.24 C ATOM 446 O ILE A 29 14.551 0.858 -5.223 1.00 50.03 O ATOM 447 CB ILE A 29 14.683 -1.595 -3.671 1.00 74.40 C ATOM 448 CG1 ILE A 29 14.104 -2.957 -3.281 1.00 15.35 C ATOM 449 CG2 ILE A 29 15.939 -1.298 -2.867 1.00 2.23 C ATOM 450 CD1 ILE A 29 13.468 -3.697 -4.436 1.00 54.13 C ATOM 0 H ILE A 29 12.350 -0.931 -5.054 1.00 32.11 H new ATOM 0 HA ILE A 29 13.473 -0.352 -2.389 1.00 73.00 H new ATOM 0 HB ILE A 29 14.950 -1.624 -4.727 1.00 74.40 H new ATOM 0 HG12 ILE A 29 14.898 -3.573 -2.859 1.00 15.35 H new ATOM 0 HG13 ILE A 29 13.360 -2.815 -2.497 1.00 15.35 H new ATOM 0 HG21 ILE A 29 16.670 -2.090 -3.028 1.00 2.23 H new ATOM 0 HG22 ILE A 29 16.360 -0.345 -3.188 1.00 2.23 H new ATOM 0 HG23 ILE A 29 15.689 -1.245 -1.807 1.00 2.23 H new ATOM 0 HD11 ILE A 29 13.079 -4.653 -4.086 1.00 54.13 H new ATOM 0 HD12 ILE A 29 12.652 -3.101 -4.844 1.00 54.13 H new ATOM 0 HD13 ILE A 29 14.214 -3.871 -5.212 1.00 54.13 H new ATOM 462 N SER A 30 14.162 1.871 -3.252 1.00 54.00 N ATOM 463 CA SER A 30 14.635 3.174 -3.703 1.00 50.34 C ATOM 464 C SER A 30 15.866 3.608 -2.914 1.00 45.11 C ATOM 465 O SER A 30 16.077 3.173 -1.782 1.00 4.42 O ATOM 466 CB SER A 30 13.528 4.221 -3.559 1.00 61.50 C ATOM 467 OG SER A 30 12.318 3.767 -4.141 1.00 22.54 O ATOM 0 H SER A 30 13.843 1.850 -2.283 1.00 54.00 H new ATOM 0 HA SER A 30 14.910 3.089 -4.754 1.00 50.34 H new ATOM 0 HB2 SER A 30 13.367 4.442 -2.504 1.00 61.50 H new ATOM 0 HB3 SER A 30 13.838 5.151 -4.036 1.00 61.50 H new ATOM 0 HG SER A 30 12.073 4.354 -4.886 1.00 22.54 H new ATOM 473 N VAL A 31 16.678 4.469 -3.521 1.00 34.20 N ATOM 474 CA VAL A 31 17.888 4.963 -2.876 1.00 41.41 C ATOM 475 C VAL A 31 17.721 6.412 -2.432 1.00 45.42 C ATOM 476 O VAL A 31 17.846 7.337 -3.236 1.00 73.43 O ATOM 477 CB VAL A 31 19.105 4.862 -3.814 1.00 43.24 C ATOM 478 CG1 VAL A 31 18.747 5.352 -5.209 1.00 52.01 C ATOM 479 CG2 VAL A 31 20.279 5.648 -3.250 1.00 24.21 C ATOM 0 H VAL A 31 16.519 4.838 -4.458 1.00 34.20 H new ATOM 0 HA VAL A 31 18.060 4.335 -2.002 1.00 41.41 H new ATOM 0 HB VAL A 31 19.399 3.815 -3.887 1.00 43.24 H new ATOM 0 HG11 VAL A 31 19.620 5.273 -5.857 1.00 52.01 H new ATOM 0 HG12 VAL A 31 17.939 4.742 -5.612 1.00 52.01 H new ATOM 0 HG13 VAL A 31 18.426 6.392 -5.158 1.00 52.01 H new ATOM 0 HG21 VAL A 31 21.130 5.566 -3.926 1.00 24.21 H new ATOM 0 HG22 VAL A 31 19.999 6.696 -3.146 1.00 24.21 H new ATOM 0 HG23 VAL A 31 20.550 5.246 -2.274 1.00 24.21 H new ATOM 489 N ILE A 32 17.440 6.603 -1.148 1.00 1.13 N ATOM 490 CA ILE A 32 17.258 7.940 -0.596 1.00 41.25 C ATOM 491 C ILE A 32 18.596 8.653 -0.431 1.00 13.30 C ATOM 492 O ILE A 32 19.474 8.188 0.295 1.00 63.42 O ATOM 493 CB ILE A 32 16.541 7.895 0.766 1.00 63.41 C ATOM 494 CG1 ILE A 32 15.195 7.179 0.635 1.00 24.20 C ATOM 495 CG2 ILE A 32 16.348 9.302 1.310 1.00 1.20 C ATOM 496 CD1 ILE A 32 15.047 5.996 1.567 1.00 53.52 C ATOM 0 H ILE A 32 17.333 5.849 -0.470 1.00 1.13 H new ATOM 0 HA ILE A 32 16.640 8.492 -1.304 1.00 41.25 H new ATOM 0 HB ILE A 32 17.161 7.337 1.468 1.00 63.41 H new ATOM 0 HG12 ILE A 32 14.393 7.890 0.834 1.00 24.20 H new ATOM 0 HG13 ILE A 32 15.072 6.839 -0.393 1.00 24.20 H new ATOM 0 HG21 ILE A 32 15.840 9.253 2.273 1.00 1.20 H new ATOM 0 HG22 ILE A 32 17.320 9.780 1.436 1.00 1.20 H new ATOM 0 HG23 ILE A 32 15.746 9.883 0.611 1.00 1.20 H new ATOM 0 HD11 ILE A 32 14.069 5.537 1.420 1.00 53.52 H new ATOM 0 HD12 ILE A 32 15.827 5.265 1.354 1.00 53.52 H new ATOM 0 HD13 ILE A 32 15.138 6.333 2.600 1.00 53.52 H new ATOM 508 N VAL A 33 18.743 9.788 -1.108 1.00 21.20 N ATOM 509 CA VAL A 33 19.973 10.568 -1.034 1.00 74.11 C ATOM 510 C VAL A 33 19.733 11.908 -0.347 1.00 72.24 C ATOM 511 O VAL A 33 18.844 12.666 -0.735 1.00 34.10 O ATOM 512 CB VAL A 33 20.563 10.820 -2.434 1.00 73.44 C ATOM 513 CG1 VAL A 33 21.951 11.433 -2.327 1.00 33.42 C ATOM 514 CG2 VAL A 33 20.602 9.527 -3.235 1.00 64.05 C ATOM 0 H VAL A 33 18.026 10.187 -1.713 1.00 21.20 H new ATOM 0 HA VAL A 33 20.683 9.984 -0.448 1.00 74.11 H new ATOM 0 HB VAL A 33 19.920 11.527 -2.959 1.00 73.44 H new ATOM 0 HG11 VAL A 33 22.351 11.604 -3.326 1.00 33.42 H new ATOM 0 HG12 VAL A 33 21.890 12.382 -1.794 1.00 33.42 H new ATOM 0 HG13 VAL A 33 22.608 10.753 -1.784 1.00 33.42 H new ATOM 0 HG21 VAL A 33 21.022 9.723 -4.222 1.00 64.05 H new ATOM 0 HG22 VAL A 33 21.222 8.796 -2.716 1.00 64.05 H new ATOM 0 HG23 VAL A 33 19.591 9.135 -3.342 1.00 64.05 H new ATOM 524 N PHE A 34 20.532 12.194 0.675 1.00 63.12 N ATOM 525 CA PHE A 34 20.407 13.443 1.417 1.00 61.00 C ATOM 526 C PHE A 34 21.453 14.455 0.958 1.00 11.25 C ATOM 527 O PHE A 34 22.653 14.182 0.987 1.00 44.10 O ATOM 528 CB PHE A 34 20.554 13.186 2.918 1.00 33.22 C ATOM 529 CG PHE A 34 20.729 14.439 3.727 1.00 54.42 C ATOM 530 CD1 PHE A 34 20.061 15.603 3.380 1.00 75.55 C ATOM 531 CD2 PHE A 34 21.562 14.455 4.834 1.00 75.20 C ATOM 532 CE1 PHE A 34 20.219 16.758 4.122 1.00 71.22 C ATOM 533 CE2 PHE A 34 21.723 15.607 5.580 1.00 25.22 C ATOM 534 CZ PHE A 34 21.052 16.760 5.223 1.00 64.01 C ATOM 0 H PHE A 34 21.273 11.578 1.009 1.00 63.12 H new ATOM 0 HA PHE A 34 19.417 13.855 1.221 1.00 61.00 H new ATOM 0 HB2 PHE A 34 19.673 12.653 3.275 1.00 33.22 H new ATOM 0 HB3 PHE A 34 21.411 12.533 3.084 1.00 33.22 H new ATOM 0 HD1 PHE A 34 19.409 15.607 2.519 1.00 75.55 H new ATOM 0 HD2 PHE A 34 22.091 13.557 5.117 1.00 75.20 H new ATOM 0 HE1 PHE A 34 19.692 17.658 3.841 1.00 71.22 H new ATOM 0 HE2 PHE A 34 22.374 15.606 6.442 1.00 25.22 H new ATOM 0 HZ PHE A 34 21.179 17.662 5.804 1.00 64.01 H new ATOM 544 N THR A 35 20.988 15.627 0.535 1.00 62.43 N ATOM 545 CA THR A 35 21.881 16.680 0.068 1.00 23.52 C ATOM 546 C THR A 35 21.169 18.026 0.026 1.00 14.41 C ATOM 547 O THR A 35 19.960 18.094 -0.200 1.00 60.24 O ATOM 548 CB THR A 35 22.440 16.363 -1.332 1.00 52.01 C ATOM 549 OG1 THR A 35 23.500 17.270 -1.653 1.00 51.53 O ATOM 550 CG2 THR A 35 21.346 16.460 -2.385 1.00 63.53 C ATOM 0 H THR A 35 19.998 15.870 0.506 1.00 62.43 H new ATOM 0 HA THR A 35 22.707 16.731 0.777 1.00 23.52 H new ATOM 0 HB THR A 35 22.825 15.343 -1.324 1.00 52.01 H new ATOM 0 HG1 THR A 35 23.851 17.061 -2.544 1.00 51.53 H new ATOM 0 HG21 THR A 35 21.764 16.232 -3.366 1.00 63.53 H new ATOM 0 HG22 THR A 35 20.554 15.748 -2.154 1.00 63.53 H new ATOM 0 HG23 THR A 35 20.935 17.470 -2.391 1.00 63.53 H new ATOM 558 N HIS A 36 21.924 19.098 0.245 1.00 64.21 N ATOM 559 CA HIS A 36 21.364 20.444 0.230 1.00 1.45 C ATOM 560 C HIS A 36 21.136 20.923 -1.200 1.00 63.23 C ATOM 561 O HIS A 36 21.978 20.745 -2.081 1.00 53.24 O ATOM 562 CB HIS A 36 22.292 21.414 0.963 1.00 65.31 C ATOM 563 CG HIS A 36 22.642 20.975 2.352 1.00 72.55 C ATOM 564 ND1 HIS A 36 23.849 21.266 2.952 1.00 74.22 N ATOM 565 CD2 HIS A 36 21.934 20.263 3.259 1.00 32.25 C ATOM 566 CE1 HIS A 36 23.868 20.751 4.168 1.00 25.31 C ATOM 567 NE2 HIS A 36 22.718 20.137 4.380 1.00 41.23 N ATOM 0 H HIS A 36 22.925 19.060 0.435 1.00 64.21 H new ATOM 0 HA HIS A 36 20.402 20.415 0.742 1.00 1.45 H new ATOM 0 HB2 HIS A 36 23.209 21.532 0.386 1.00 65.31 H new ATOM 0 HB3 HIS A 36 21.816 22.394 1.010 1.00 65.31 H new ATOM 0 HD2 HIS A 36 20.938 19.867 3.126 1.00 32.25 H new ATOM 0 HE1 HIS A 36 24.686 20.820 4.870 1.00 25.31 H new ATOM 0 HE2 HIS A 36 22.455 19.649 5.236 1.00 41.23 H new ATOM 575 N PRO A 37 19.972 21.544 -1.439 1.00 35.50 N ATOM 576 CA PRO A 37 19.606 22.060 -2.761 1.00 60.34 C ATOM 577 C PRO A 37 20.445 23.268 -3.164 1.00 72.22 C ATOM 578 O PRO A 37 20.737 23.467 -4.344 1.00 13.35 O ATOM 579 CB PRO A 37 18.138 22.460 -2.593 1.00 3.13 C ATOM 580 CG PRO A 37 17.986 22.735 -1.137 1.00 13.44 C ATOM 581 CD PRO A 37 18.922 21.790 -0.436 1.00 72.20 C ATOM 0 HA PRO A 37 19.773 21.323 -3.546 1.00 60.34 H new ATOM 0 HB2 PRO A 37 17.896 23.340 -3.190 1.00 3.13 H new ATOM 0 HB3 PRO A 37 17.470 21.662 -2.917 1.00 3.13 H new ATOM 0 HG2 PRO A 37 18.234 23.771 -0.908 1.00 13.44 H new ATOM 0 HG3 PRO A 37 16.957 22.575 -0.815 1.00 13.44 H new ATOM 0 HD2 PRO A 37 19.330 22.230 0.474 1.00 72.20 H new ATOM 0 HD3 PRO A 37 18.419 20.867 -0.146 1.00 72.20 H new ATOM 589 N ASP A 38 20.830 24.070 -2.178 1.00 54.20 N ATOM 590 CA ASP A 38 21.637 25.258 -2.430 1.00 13.51 C ATOM 591 C ASP A 38 23.042 25.092 -1.860 1.00 33.14 C ATOM 592 O ASP A 38 23.357 25.622 -0.794 1.00 73.30 O ATOM 593 CB ASP A 38 20.969 26.493 -1.822 1.00 30.12 C ATOM 594 CG ASP A 38 21.857 27.720 -1.881 1.00 63.11 C ATOM 595 OD1 ASP A 38 22.538 27.911 -2.911 1.00 31.01 O ATOM 596 OD2 ASP A 38 21.871 28.490 -0.898 1.00 64.32 O ATOM 0 H ASP A 38 20.596 23.919 -1.197 1.00 54.20 H new ATOM 0 HA ASP A 38 21.716 25.391 -3.509 1.00 13.51 H new ATOM 0 HB2 ASP A 38 20.038 26.696 -2.351 1.00 30.12 H new ATOM 0 HB3 ASP A 38 20.707 26.287 -0.784 1.00 30.12 H new ATOM 601 N SER A 39 23.882 24.352 -2.576 1.00 33.42 N ATOM 602 CA SER A 39 25.252 24.111 -2.139 1.00 31.13 C ATOM 603 C SER A 39 26.156 23.806 -3.329 1.00 22.20 C ATOM 604 O SER A 39 26.257 22.661 -3.771 1.00 35.14 O ATOM 605 CB SER A 39 25.295 22.952 -1.141 1.00 1.24 C ATOM 606 OG SER A 39 26.561 22.870 -0.509 1.00 10.32 O ATOM 0 H SER A 39 23.638 23.909 -3.462 1.00 33.42 H new ATOM 0 HA SER A 39 25.616 25.015 -1.651 1.00 31.13 H new ATOM 0 HB2 SER A 39 24.518 23.087 -0.389 1.00 1.24 H new ATOM 0 HB3 SER A 39 25.081 22.016 -1.657 1.00 1.24 H new ATOM 0 HG SER A 39 26.503 22.269 0.263 1.00 10.32 H new ATOM 612 N LYS A 40 26.813 24.839 -3.845 1.00 5.04 N ATOM 613 CA LYS A 40 27.711 24.684 -4.983 1.00 43.30 C ATOM 614 C LYS A 40 28.932 23.852 -4.604 1.00 71.21 C ATOM 615 O LYS A 40 29.305 22.920 -5.317 1.00 32.21 O ATOM 616 CB LYS A 40 28.156 26.055 -5.498 1.00 54.14 C ATOM 617 CG LYS A 40 28.954 25.990 -6.789 1.00 4.14 C ATOM 618 CD LYS A 40 29.591 27.330 -7.119 1.00 33.14 C ATOM 619 CE LYS A 40 30.973 27.459 -6.497 1.00 70.42 C ATOM 620 NZ LYS A 40 30.953 28.302 -5.270 1.00 41.00 N ATOM 0 H LYS A 40 26.740 25.793 -3.493 1.00 5.04 H new ATOM 0 HA LYS A 40 27.169 24.163 -5.773 1.00 43.30 H new ATOM 0 HB2 LYS A 40 27.276 26.678 -5.656 1.00 54.14 H new ATOM 0 HB3 LYS A 40 28.759 26.543 -4.732 1.00 54.14 H new ATOM 0 HG2 LYS A 40 29.730 25.229 -6.700 1.00 4.14 H new ATOM 0 HG3 LYS A 40 28.301 25.685 -7.607 1.00 4.14 H new ATOM 0 HD2 LYS A 40 29.666 27.442 -8.201 1.00 33.14 H new ATOM 0 HD3 LYS A 40 28.952 28.136 -6.759 1.00 33.14 H new ATOM 0 HE2 LYS A 40 31.354 26.468 -6.250 1.00 70.42 H new ATOM 0 HE3 LYS A 40 31.659 27.893 -7.224 1.00 70.42 H new ATOM 0 HZ1 LYS A 40 31.925 28.576 -5.021 1.00 41.00 H new ATOM 0 HZ2 LYS A 40 30.386 29.156 -5.445 1.00 41.00 H new ATOM 0 HZ3 LYS A 40 30.534 27.763 -4.485 1.00 41.00 H new ATOM 634 N ARG A 41 29.549 24.193 -3.478 1.00 10.33 N ATOM 635 CA ARG A 41 30.727 23.477 -3.004 1.00 63.15 C ATOM 636 C ARG A 41 30.433 21.987 -2.852 1.00 41.41 C ATOM 637 O ARG A 41 31.337 21.155 -2.925 1.00 2.32 O ATOM 638 CB ARG A 41 31.199 24.054 -1.668 1.00 72.24 C ATOM 639 CG ARG A 41 32.458 24.898 -1.780 1.00 13.11 C ATOM 640 CD ARG A 41 33.307 24.800 -0.523 1.00 4.14 C ATOM 641 NE ARG A 41 34.070 26.022 -0.281 1.00 22.32 N ATOM 642 CZ ARG A 41 35.016 26.126 0.646 1.00 10.31 C ATOM 643 NH1 ARG A 41 35.314 25.087 1.414 1.00 12.52 N ATOM 644 NH2 ARG A 41 35.666 27.272 0.806 1.00 63.12 N ATOM 0 H ARG A 41 29.252 24.961 -2.876 1.00 10.33 H new ATOM 0 HA ARG A 41 31.518 23.600 -3.744 1.00 63.15 H new ATOM 0 HB2 ARG A 41 30.401 24.662 -1.242 1.00 72.24 H new ATOM 0 HB3 ARG A 41 31.381 23.235 -0.972 1.00 72.24 H new ATOM 0 HG2 ARG A 41 33.041 24.571 -2.641 1.00 13.11 H new ATOM 0 HG3 ARG A 41 32.185 25.939 -1.956 1.00 13.11 H new ATOM 0 HD2 ARG A 41 32.664 24.598 0.334 1.00 4.14 H new ATOM 0 HD3 ARG A 41 33.992 23.957 -0.613 1.00 4.14 H new ATOM 0 HE ARG A 41 33.865 26.840 -0.855 1.00 22.32 H new ATOM 0 HH11 ARG A 41 34.816 24.205 1.294 1.00 12.52 H new ATOM 0 HH12 ARG A 41 36.041 25.170 2.125 1.00 12.52 H new ATOM 0 HH21 ARG A 41 35.439 28.073 0.217 1.00 63.12 H new ATOM 0 HH22 ARG A 41 36.392 27.351 1.518 1.00 63.12 H new ATOM 658 N SER A 42 29.163 21.659 -2.640 1.00 13.01 N ATOM 659 CA SER A 42 28.750 20.271 -2.473 1.00 33.52 C ATOM 660 C SER A 42 27.658 19.904 -3.474 1.00 10.33 C ATOM 661 O SER A 42 26.488 19.769 -3.113 1.00 44.34 O ATOM 662 CB SER A 42 28.250 20.033 -1.046 1.00 42.04 C ATOM 663 OG SER A 42 29.287 19.534 -0.219 1.00 41.24 O ATOM 0 H SER A 42 28.402 22.336 -2.580 1.00 13.01 H new ATOM 0 HA SER A 42 29.616 19.636 -2.658 1.00 33.52 H new ATOM 0 HB2 SER A 42 27.867 20.965 -0.631 1.00 42.04 H new ATOM 0 HB3 SER A 42 27.421 19.326 -1.061 1.00 42.04 H new ATOM 0 HG SER A 42 28.943 19.392 0.687 1.00 41.24 H new ATOM 669 N LYS A 43 28.049 19.745 -4.734 1.00 33.34 N ATOM 670 CA LYS A 43 27.106 19.393 -5.789 1.00 31.12 C ATOM 671 C LYS A 43 27.784 18.553 -6.867 1.00 1.24 C ATOM 672 O LYS A 43 27.276 18.430 -7.981 1.00 3.15 O ATOM 673 CB LYS A 43 26.511 20.658 -6.412 1.00 32.41 C ATOM 674 CG LYS A 43 27.501 21.446 -7.251 1.00 3.54 C ATOM 675 CD LYS A 43 27.110 21.451 -8.719 1.00 31.32 C ATOM 676 CE LYS A 43 28.333 21.483 -9.622 1.00 4.32 C ATOM 677 NZ LYS A 43 29.128 20.228 -9.525 1.00 30.42 N ATOM 0 H LYS A 43 29.013 19.854 -5.049 1.00 33.34 H new ATOM 0 HA LYS A 43 26.305 18.803 -5.344 1.00 31.12 H new ATOM 0 HB2 LYS A 43 25.660 20.381 -7.034 1.00 32.41 H new ATOM 0 HB3 LYS A 43 26.129 21.299 -5.617 1.00 32.41 H new ATOM 0 HG2 LYS A 43 27.554 22.471 -6.885 1.00 3.54 H new ATOM 0 HG3 LYS A 43 28.496 21.016 -7.140 1.00 3.54 H new ATOM 0 HD2 LYS A 43 26.516 20.565 -8.941 1.00 31.32 H new ATOM 0 HD3 LYS A 43 26.481 22.317 -8.926 1.00 31.32 H new ATOM 0 HE2 LYS A 43 28.018 21.634 -10.654 1.00 4.32 H new ATOM 0 HE3 LYS A 43 28.961 22.332 -9.353 1.00 4.32 H new ATOM 0 HZ1 LYS A 43 29.436 19.938 -10.475 1.00 30.42 H new ATOM 0 HZ2 LYS A 43 29.962 20.391 -8.926 1.00 30.42 H new ATOM 0 HZ3 LYS A 43 28.542 19.478 -9.106 1.00 30.42 H new ATOM 691 N GLU A 44 28.933 17.977 -6.526 1.00 52.12 N ATOM 692 CA GLU A 44 29.679 17.149 -7.466 1.00 30.51 C ATOM 693 C GLU A 44 29.136 15.722 -7.484 1.00 2.52 C ATOM 694 O GLU A 44 29.006 15.110 -8.544 1.00 50.12 O ATOM 695 CB GLU A 44 31.165 17.136 -7.101 1.00 32.24 C ATOM 696 CG GLU A 44 31.805 18.514 -7.105 1.00 55.02 C ATOM 697 CD GLU A 44 32.691 18.742 -8.314 1.00 75.05 C ATOM 698 OE1 GLU A 44 33.801 18.172 -8.351 1.00 61.33 O ATOM 699 OE2 GLU A 44 32.274 19.490 -9.223 1.00 41.13 O ATOM 0 H GLU A 44 29.367 18.069 -5.607 1.00 52.12 H new ATOM 0 HA GLU A 44 29.560 17.577 -8.461 1.00 30.51 H new ATOM 0 HB2 GLU A 44 31.284 16.692 -6.112 1.00 32.24 H new ATOM 0 HB3 GLU A 44 31.698 16.495 -7.804 1.00 32.24 H new ATOM 0 HG2 GLU A 44 31.023 19.274 -7.084 1.00 55.02 H new ATOM 0 HG3 GLU A 44 32.396 18.639 -6.198 1.00 55.02 H new ATOM 706 N ILE A 45 28.822 15.200 -6.303 1.00 2.40 N ATOM 707 CA ILE A 45 28.293 13.847 -6.183 1.00 3.53 C ATOM 708 C ILE A 45 26.936 13.725 -6.866 1.00 15.20 C ATOM 709 O ILE A 45 26.447 12.621 -7.109 1.00 44.54 O ATOM 710 CB ILE A 45 28.153 13.427 -4.708 1.00 30.12 C ATOM 711 CG1 ILE A 45 27.274 14.426 -3.951 1.00 65.55 C ATOM 712 CG2 ILE A 45 29.523 13.318 -4.055 1.00 41.24 C ATOM 713 CD1 ILE A 45 25.796 14.118 -4.040 1.00 61.12 C ATOM 0 H ILE A 45 28.925 15.693 -5.416 1.00 2.40 H new ATOM 0 HA ILE A 45 29.005 13.184 -6.675 1.00 3.53 H new ATOM 0 HB ILE A 45 27.675 12.448 -4.669 1.00 30.12 H new ATOM 0 HG12 ILE A 45 27.572 14.438 -2.903 1.00 65.55 H new ATOM 0 HG13 ILE A 45 27.453 15.426 -4.345 1.00 65.55 H new ATOM 0 HG21 ILE A 45 29.407 13.020 -3.013 1.00 41.24 H new ATOM 0 HG22 ILE A 45 30.119 12.572 -4.581 1.00 41.24 H new ATOM 0 HG23 ILE A 45 30.027 14.284 -4.102 1.00 41.24 H new ATOM 0 HD11 ILE A 45 25.234 14.866 -3.481 1.00 61.12 H new ATOM 0 HD12 ILE A 45 25.483 14.134 -5.084 1.00 61.12 H new ATOM 0 HD13 ILE A 45 25.604 13.131 -3.619 1.00 61.12 H new ATOM 725 N LYS A 46 26.330 14.867 -7.175 1.00 61.11 N ATOM 726 CA LYS A 46 25.029 14.890 -7.834 1.00 24.23 C ATOM 727 C LYS A 46 25.130 14.347 -9.256 1.00 0.42 C ATOM 728 O LYS A 46 24.418 13.414 -9.625 1.00 23.01 O ATOM 729 CB LYS A 46 24.472 16.315 -7.858 1.00 63.13 C ATOM 730 CG LYS A 46 24.333 16.937 -6.480 1.00 1.41 C ATOM 731 CD LYS A 46 22.908 17.392 -6.215 1.00 34.35 C ATOM 732 CE LYS A 46 22.875 18.709 -5.456 1.00 14.53 C ATOM 733 NZ LYS A 46 21.787 18.737 -4.439 1.00 54.34 N ATOM 0 H LYS A 46 26.719 15.789 -6.979 1.00 61.11 H new ATOM 0 HA LYS A 46 24.351 14.251 -7.268 1.00 24.23 H new ATOM 0 HB2 LYS A 46 25.125 16.941 -8.466 1.00 63.13 H new ATOM 0 HB3 LYS A 46 23.496 16.307 -8.344 1.00 63.13 H new ATOM 0 HG2 LYS A 46 24.632 16.214 -5.721 1.00 1.41 H new ATOM 0 HG3 LYS A 46 25.009 17.787 -6.394 1.00 1.41 H new ATOM 0 HD2 LYS A 46 22.379 17.503 -7.161 1.00 34.35 H new ATOM 0 HD3 LYS A 46 22.382 16.628 -5.643 1.00 34.35 H new ATOM 0 HE2 LYS A 46 23.835 18.869 -4.965 1.00 14.53 H new ATOM 0 HE3 LYS A 46 22.736 19.530 -6.159 1.00 14.53 H new ATOM 0 HZ1 LYS A 46 21.243 19.618 -4.537 1.00 54.34 H new ATOM 0 HZ2 LYS A 46 21.156 17.923 -4.583 1.00 54.34 H new ATOM 0 HZ3 LYS A 46 22.201 18.690 -3.486 1.00 54.34 H new ATOM 747 N GLU A 47 26.019 14.938 -10.048 1.00 63.12 N ATOM 748 CA GLU A 47 26.212 14.512 -11.429 1.00 42.14 C ATOM 749 C GLU A 47 26.653 13.053 -11.492 1.00 65.32 C ATOM 750 O GLU A 47 26.104 12.258 -12.256 1.00 1.05 O ATOM 751 CB GLU A 47 27.249 15.400 -12.120 1.00 5.10 C ATOM 752 CG GLU A 47 27.592 14.952 -13.531 1.00 30.33 C ATOM 753 CD GLU A 47 28.243 16.049 -14.350 1.00 1.21 C ATOM 754 OE1 GLU A 47 28.915 16.915 -13.752 1.00 5.31 O ATOM 755 OE2 GLU A 47 28.080 16.042 -15.588 1.00 2.42 O ATOM 0 H GLU A 47 26.616 15.712 -9.757 1.00 63.12 H new ATOM 0 HA GLU A 47 25.258 14.608 -11.948 1.00 42.14 H new ATOM 0 HB2 GLU A 47 26.874 16.423 -12.154 1.00 5.10 H new ATOM 0 HB3 GLU A 47 28.160 15.414 -11.521 1.00 5.10 H new ATOM 0 HG2 GLU A 47 28.262 14.094 -13.483 1.00 30.33 H new ATOM 0 HG3 GLU A 47 26.684 14.619 -14.033 1.00 30.33 H new ATOM 762 N LYS A 48 27.650 12.707 -10.684 1.00 61.24 N ATOM 763 CA LYS A 48 28.167 11.344 -10.646 1.00 35.22 C ATOM 764 C LYS A 48 27.038 10.340 -10.434 1.00 54.04 C ATOM 765 O LYS A 48 27.025 9.268 -11.040 1.00 60.35 O ATOM 766 CB LYS A 48 29.205 11.201 -9.531 1.00 43.40 C ATOM 767 CG LYS A 48 30.387 12.145 -9.676 1.00 73.24 C ATOM 768 CD LYS A 48 31.615 11.615 -8.955 1.00 40.44 C ATOM 769 CE LYS A 48 32.639 11.060 -9.933 1.00 61.12 C ATOM 770 NZ LYS A 48 33.116 9.708 -9.528 1.00 42.55 N ATOM 0 H LYS A 48 28.116 13.352 -10.046 1.00 61.24 H new ATOM 0 HA LYS A 48 28.641 11.135 -11.605 1.00 35.22 H new ATOM 0 HB2 LYS A 48 28.722 11.382 -8.571 1.00 43.40 H new ATOM 0 HB3 LYS A 48 29.570 10.174 -9.516 1.00 43.40 H new ATOM 0 HG2 LYS A 48 30.616 12.284 -10.733 1.00 73.24 H new ATOM 0 HG3 LYS A 48 30.123 13.124 -9.276 1.00 73.24 H new ATOM 0 HD2 LYS A 48 32.067 12.415 -8.368 1.00 40.44 H new ATOM 0 HD3 LYS A 48 31.318 10.834 -8.255 1.00 40.44 H new ATOM 0 HE2 LYS A 48 32.199 11.007 -10.929 1.00 61.12 H new ATOM 0 HE3 LYS A 48 33.488 11.741 -9.996 1.00 61.12 H new ATOM 0 HZ1 LYS A 48 33.812 9.364 -10.220 1.00 42.55 H new ATOM 0 HZ2 LYS A 48 33.559 9.763 -8.589 1.00 42.55 H new ATOM 0 HZ3 LYS A 48 32.310 9.052 -9.493 1.00 42.55 H new ATOM 784 N LEU A 49 26.091 10.694 -9.573 1.00 13.51 N ATOM 785 CA LEU A 49 24.956 9.825 -9.283 1.00 32.12 C ATOM 786 C LEU A 49 23.899 9.925 -10.378 1.00 63.25 C ATOM 787 O LEU A 49 23.203 8.954 -10.675 1.00 71.31 O ATOM 788 CB LEU A 49 24.341 10.190 -7.931 1.00 12.13 C ATOM 789 CG LEU A 49 23.312 9.206 -7.374 1.00 33.14 C ATOM 790 CD1 LEU A 49 23.990 7.920 -6.927 1.00 60.15 C ATOM 791 CD2 LEU A 49 22.543 9.834 -6.220 1.00 23.31 C ATOM 0 H LEU A 49 26.086 11.577 -9.063 1.00 13.51 H new ATOM 0 HA LEU A 49 25.318 8.798 -9.246 1.00 32.12 H new ATOM 0 HB2 LEU A 49 25.147 10.293 -7.204 1.00 12.13 H new ATOM 0 HB3 LEU A 49 23.867 11.167 -8.022 1.00 12.13 H new ATOM 0 HG LEU A 49 22.604 8.963 -8.167 1.00 33.14 H new ATOM 0 HD11 LEU A 49 23.242 7.232 -6.534 1.00 60.15 H new ATOM 0 HD12 LEU A 49 24.494 7.460 -7.777 1.00 60.15 H new ATOM 0 HD13 LEU A 49 24.720 8.145 -6.150 1.00 60.15 H new ATOM 0 HD21 LEU A 49 21.815 9.119 -5.836 1.00 23.31 H new ATOM 0 HD22 LEU A 49 23.238 10.107 -5.426 1.00 23.31 H new ATOM 0 HD23 LEU A 49 22.025 10.726 -6.571 1.00 23.31 H new ATOM 803 N LYS A 50 23.786 11.105 -10.979 1.00 24.14 N ATOM 804 CA LYS A 50 22.818 11.332 -12.044 1.00 52.24 C ATOM 805 C LYS A 50 23.113 10.441 -13.247 1.00 35.03 C ATOM 806 O LYS A 50 22.199 9.907 -13.876 1.00 52.52 O ATOM 807 CB LYS A 50 22.833 12.802 -12.470 1.00 54.10 C ATOM 808 CG LYS A 50 21.518 13.521 -12.221 1.00 30.22 C ATOM 809 CD LYS A 50 21.505 14.204 -10.864 1.00 14.23 C ATOM 810 CE LYS A 50 20.277 15.086 -10.696 1.00 34.23 C ATOM 811 NZ LYS A 50 19.017 14.342 -10.974 1.00 62.42 N ATOM 0 H LYS A 50 24.354 11.919 -10.746 1.00 24.14 H new ATOM 0 HA LYS A 50 21.829 11.080 -11.661 1.00 52.24 H new ATOM 0 HB2 LYS A 50 23.628 13.319 -11.932 1.00 54.10 H new ATOM 0 HB3 LYS A 50 23.075 12.862 -13.531 1.00 54.10 H new ATOM 0 HG2 LYS A 50 21.353 14.261 -13.004 1.00 30.22 H new ATOM 0 HG3 LYS A 50 20.696 12.808 -12.278 1.00 30.22 H new ATOM 0 HD2 LYS A 50 21.524 13.451 -10.076 1.00 14.23 H new ATOM 0 HD3 LYS A 50 22.406 14.807 -10.750 1.00 14.23 H new ATOM 0 HE2 LYS A 50 20.249 15.480 -9.680 1.00 34.23 H new ATOM 0 HE3 LYS A 50 20.350 15.941 -11.368 1.00 34.23 H new ATOM 0 HZ1 LYS A 50 18.204 14.899 -10.641 1.00 62.42 H new ATOM 0 HZ2 LYS A 50 18.929 14.179 -11.997 1.00 62.42 H new ATOM 0 HZ3 LYS A 50 19.037 13.428 -10.478 1.00 62.42 H new ATOM 825 N LYS A 51 24.394 10.282 -13.560 1.00 0.42 N ATOM 826 CA LYS A 51 24.810 9.453 -14.685 1.00 4.43 C ATOM 827 C LYS A 51 24.602 7.974 -14.377 1.00 4.02 C ATOM 828 O LYS A 51 24.259 7.188 -15.261 1.00 30.35 O ATOM 829 CB LYS A 51 26.281 9.714 -15.020 1.00 33.30 C ATOM 830 CG LYS A 51 26.746 9.023 -16.290 1.00 44.22 C ATOM 831 CD LYS A 51 28.102 8.363 -16.101 1.00 41.53 C ATOM 832 CE LYS A 51 28.511 7.568 -17.332 1.00 2.24 C ATOM 833 NZ LYS A 51 29.004 6.209 -16.975 1.00 31.11 N ATOM 0 H LYS A 51 25.163 10.717 -13.050 1.00 0.42 H new ATOM 0 HA LYS A 51 24.195 9.716 -15.546 1.00 4.43 H new ATOM 0 HB2 LYS A 51 26.437 10.788 -15.122 1.00 33.30 H new ATOM 0 HB3 LYS A 51 26.900 9.380 -14.187 1.00 33.30 H new ATOM 0 HG2 LYS A 51 26.013 8.273 -16.586 1.00 44.22 H new ATOM 0 HG3 LYS A 51 26.804 9.750 -17.100 1.00 44.22 H new ATOM 0 HD2 LYS A 51 28.853 9.125 -15.893 1.00 41.53 H new ATOM 0 HD3 LYS A 51 28.069 7.703 -15.234 1.00 41.53 H new ATOM 0 HE2 LYS A 51 27.660 7.480 -18.007 1.00 2.24 H new ATOM 0 HE3 LYS A 51 29.290 8.107 -17.870 1.00 2.24 H new ATOM 0 HZ1 LYS A 51 29.273 5.699 -17.840 1.00 31.11 H new ATOM 0 HZ2 LYS A 51 29.832 6.293 -16.351 1.00 31.11 H new ATOM 0 HZ3 LYS A 51 28.252 5.685 -16.484 1.00 31.11 H new ATOM 847 N LEU A 52 24.811 7.601 -13.119 1.00 0.41 N ATOM 848 CA LEU A 52 24.645 6.216 -12.694 1.00 32.22 C ATOM 849 C LEU A 52 23.258 5.696 -13.061 1.00 4.21 C ATOM 850 O LEU A 52 23.061 4.494 -13.233 1.00 31.22 O ATOM 851 CB LEU A 52 24.864 6.095 -11.185 1.00 22.22 C ATOM 852 CG LEU A 52 24.610 4.714 -10.578 1.00 45.32 C ATOM 853 CD1 LEU A 52 25.641 4.406 -9.504 1.00 24.24 C ATOM 854 CD2 LEU A 52 23.202 4.633 -10.008 1.00 1.13 C ATOM 0 H LEU A 52 25.096 8.239 -12.376 1.00 0.41 H new ATOM 0 HA LEU A 52 25.389 5.611 -13.213 1.00 32.22 H new ATOM 0 HB2 LEU A 52 25.891 6.384 -10.963 1.00 22.22 H new ATOM 0 HB3 LEU A 52 24.215 6.814 -10.685 1.00 22.22 H new ATOM 0 HG LEU A 52 24.704 3.968 -11.367 1.00 45.32 H new ATOM 0 HD11 LEU A 52 25.445 3.420 -9.083 1.00 24.24 H new ATOM 0 HD12 LEU A 52 26.639 4.421 -9.942 1.00 24.24 H new ATOM 0 HD13 LEU A 52 25.580 5.156 -8.715 1.00 24.24 H new ATOM 0 HD21 LEU A 52 23.039 3.644 -9.580 1.00 1.13 H new ATOM 0 HD22 LEU A 52 23.080 5.388 -9.232 1.00 1.13 H new ATOM 0 HD23 LEU A 52 22.477 4.809 -10.803 1.00 1.13 H new ATOM 866 N ALA A 53 22.302 6.611 -13.181 1.00 41.14 N ATOM 867 CA ALA A 53 20.935 6.246 -13.532 1.00 63.14 C ATOM 868 C ALA A 53 20.897 5.447 -14.831 1.00 31.45 C ATOM 869 O ALA A 53 19.974 4.667 -15.062 1.00 74.12 O ATOM 870 CB ALA A 53 20.070 7.492 -13.652 1.00 21.24 C ATOM 0 H ALA A 53 22.449 7.611 -13.040 1.00 41.14 H new ATOM 0 HA ALA A 53 20.538 5.616 -12.736 1.00 63.14 H new ATOM 0 HB1 ALA A 53 19.052 7.204 -13.915 1.00 21.24 H new ATOM 0 HB2 ALA A 53 20.063 8.023 -12.700 1.00 21.24 H new ATOM 0 HB3 ALA A 53 20.475 8.142 -14.427 1.00 21.24 H new ATOM 876 N GLU A 54 21.905 5.647 -15.674 1.00 21.25 N ATOM 877 CA GLU A 54 21.984 4.945 -16.949 1.00 61.12 C ATOM 878 C GLU A 54 22.636 3.576 -16.777 1.00 75.33 C ATOM 879 O GLU A 54 22.411 2.666 -17.575 1.00 43.34 O ATOM 880 CB GLU A 54 22.774 5.774 -17.965 1.00 33.44 C ATOM 881 CG GLU A 54 22.400 7.246 -17.971 1.00 14.33 C ATOM 882 CD GLU A 54 22.273 7.810 -19.373 1.00 3.34 C ATOM 883 OE1 GLU A 54 21.179 8.305 -19.716 1.00 60.20 O ATOM 884 OE2 GLU A 54 23.268 7.757 -20.126 1.00 54.10 O ATOM 0 H GLU A 54 22.678 6.289 -15.497 1.00 21.25 H new ATOM 0 HA GLU A 54 20.969 4.801 -17.319 1.00 61.12 H new ATOM 0 HB2 GLU A 54 23.838 5.679 -17.750 1.00 33.44 H new ATOM 0 HB3 GLU A 54 22.612 5.363 -18.961 1.00 33.44 H new ATOM 0 HG2 GLU A 54 21.456 7.379 -17.443 1.00 14.33 H new ATOM 0 HG3 GLU A 54 23.154 7.811 -17.423 1.00 14.33 H new ATOM 891 N GLU A 55 23.443 3.438 -15.730 1.00 42.24 N ATOM 892 CA GLU A 55 24.128 2.181 -15.455 1.00 22.22 C ATOM 893 C GLU A 55 23.143 1.117 -14.979 1.00 12.44 C ATOM 894 O GLU A 55 23.153 -0.015 -15.461 1.00 61.23 O ATOM 895 CB GLU A 55 25.219 2.389 -14.402 1.00 61.32 C ATOM 896 CG GLU A 55 25.502 1.152 -13.566 1.00 15.12 C ATOM 897 CD GLU A 55 25.847 -0.058 -14.412 1.00 5.13 C ATOM 898 OE1 GLU A 55 26.432 0.127 -15.500 1.00 5.34 O ATOM 899 OE2 GLU A 55 25.533 -1.189 -13.987 1.00 24.23 O ATOM 0 H GLU A 55 23.638 4.181 -15.059 1.00 42.24 H new ATOM 0 HA GLU A 55 24.588 1.837 -16.382 1.00 22.22 H new ATOM 0 HB2 GLU A 55 26.138 2.699 -14.900 1.00 61.32 H new ATOM 0 HB3 GLU A 55 24.924 3.204 -13.741 1.00 61.32 H new ATOM 0 HG2 GLU A 55 26.326 1.360 -12.883 1.00 15.12 H new ATOM 0 HG3 GLU A 55 24.630 0.925 -12.953 1.00 15.12 H new ATOM 906 N PHE A 56 22.293 1.490 -14.028 1.00 14.42 N ATOM 907 CA PHE A 56 21.301 0.569 -13.484 1.00 43.33 C ATOM 908 C PHE A 56 20.003 1.300 -13.155 1.00 73.12 C ATOM 909 O PHE A 56 19.674 1.541 -11.994 1.00 12.34 O ATOM 910 CB PHE A 56 21.846 -0.117 -12.230 1.00 34.03 C ATOM 911 CG PHE A 56 21.028 -1.298 -11.790 1.00 10.32 C ATOM 912 CD1 PHE A 56 20.453 -1.328 -10.529 1.00 65.33 C ATOM 913 CD2 PHE A 56 20.834 -2.377 -12.637 1.00 24.24 C ATOM 914 CE1 PHE A 56 19.700 -2.413 -10.121 1.00 61.15 C ATOM 915 CE2 PHE A 56 20.082 -3.464 -12.234 1.00 72.44 C ATOM 916 CZ PHE A 56 19.515 -3.483 -10.975 1.00 1.11 C ATOM 0 H PHE A 56 22.271 2.424 -13.618 1.00 14.42 H new ATOM 0 HA PHE A 56 21.089 -0.187 -14.240 1.00 43.33 H new ATOM 0 HB2 PHE A 56 22.869 -0.444 -12.419 1.00 34.03 H new ATOM 0 HB3 PHE A 56 21.888 0.609 -11.418 1.00 34.03 H new ATOM 0 HD1 PHE A 56 20.595 -0.494 -9.858 1.00 65.33 H new ATOM 0 HD2 PHE A 56 21.275 -2.369 -13.623 1.00 24.24 H new ATOM 0 HE1 PHE A 56 19.257 -2.424 -9.136 1.00 61.15 H new ATOM 0 HE2 PHE A 56 19.938 -4.299 -12.904 1.00 72.44 H new ATOM 0 HZ PHE A 56 18.928 -4.333 -10.659 1.00 1.11 H new ATOM 926 N PRO A 57 19.246 1.661 -14.202 1.00 43.52 N ATOM 927 CA PRO A 57 17.972 2.370 -14.051 1.00 32.31 C ATOM 928 C PRO A 57 16.886 1.486 -13.446 1.00 51.34 C ATOM 929 O PRO A 57 15.797 1.960 -13.121 1.00 21.23 O ATOM 930 CB PRO A 57 17.608 2.757 -15.487 1.00 25.24 C ATOM 931 CG PRO A 57 18.304 1.751 -16.338 1.00 4.53 C ATOM 932 CD PRO A 57 19.577 1.406 -15.614 1.00 53.23 C ATOM 0 HA PRO A 57 18.057 3.221 -13.375 1.00 32.31 H new ATOM 0 HB2 PRO A 57 16.530 2.730 -15.643 1.00 25.24 H new ATOM 0 HB3 PRO A 57 17.938 3.769 -15.720 1.00 25.24 H new ATOM 0 HG2 PRO A 57 17.684 0.866 -16.482 1.00 4.53 H new ATOM 0 HG3 PRO A 57 18.515 2.156 -17.328 1.00 4.53 H new ATOM 0 HD2 PRO A 57 19.864 0.367 -15.778 1.00 53.23 H new ATOM 0 HD3 PRO A 57 20.410 2.024 -15.949 1.00 53.23 H new ATOM 940 N ASP A 58 17.189 0.201 -13.299 1.00 2.42 N ATOM 941 CA ASP A 58 16.239 -0.748 -12.732 1.00 30.34 C ATOM 942 C ASP A 58 15.767 -0.289 -11.355 1.00 44.14 C ATOM 943 O ASP A 58 14.684 -0.659 -10.903 1.00 72.04 O ATOM 944 CB ASP A 58 16.872 -2.137 -12.630 1.00 40.12 C ATOM 945 CG ASP A 58 16.363 -2.919 -11.436 1.00 20.43 C ATOM 946 OD1 ASP A 58 15.505 -3.806 -11.629 1.00 32.23 O ATOM 947 OD2 ASP A 58 16.823 -2.646 -10.308 1.00 5.22 O ATOM 0 H ASP A 58 18.085 -0.207 -13.565 1.00 2.42 H new ATOM 0 HA ASP A 58 15.375 -0.798 -13.395 1.00 30.34 H new ATOM 0 HB2 ASP A 58 16.663 -2.696 -13.542 1.00 40.12 H new ATOM 0 HB3 ASP A 58 17.955 -2.035 -12.559 1.00 40.12 H new ATOM 952 N VAL A 59 16.589 0.519 -10.693 1.00 43.10 N ATOM 953 CA VAL A 59 16.257 1.029 -9.368 1.00 53.13 C ATOM 954 C VAL A 59 15.797 2.481 -9.438 1.00 5.22 C ATOM 955 O VAL A 59 16.090 3.190 -10.401 1.00 0.10 O ATOM 956 CB VAL A 59 17.458 0.927 -8.410 1.00 0.42 C ATOM 957 CG1 VAL A 59 18.500 1.984 -8.745 1.00 72.21 C ATOM 958 CG2 VAL A 59 16.999 1.059 -6.965 1.00 63.14 C ATOM 0 H VAL A 59 17.490 0.835 -11.053 1.00 43.10 H new ATOM 0 HA VAL A 59 15.444 0.412 -8.985 1.00 53.13 H new ATOM 0 HB VAL A 59 17.917 -0.054 -8.534 1.00 0.42 H new ATOM 0 HG11 VAL A 59 19.341 1.896 -8.057 1.00 72.21 H new ATOM 0 HG12 VAL A 59 18.850 1.839 -9.767 1.00 72.21 H new ATOM 0 HG13 VAL A 59 18.056 2.975 -8.651 1.00 72.21 H new ATOM 0 HG21 VAL A 59 17.860 0.985 -6.301 1.00 63.14 H new ATOM 0 HG22 VAL A 59 16.515 2.025 -6.824 1.00 63.14 H new ATOM 0 HG23 VAL A 59 16.293 0.262 -6.733 1.00 63.14 H new ATOM 968 N ASP A 60 15.077 2.918 -8.411 1.00 22.24 N ATOM 969 CA ASP A 60 14.578 4.287 -8.354 1.00 22.13 C ATOM 970 C ASP A 60 15.555 5.191 -7.607 1.00 73.44 C ATOM 971 O ASP A 60 15.830 4.981 -6.426 1.00 14.45 O ATOM 972 CB ASP A 60 13.208 4.325 -7.675 1.00 40.20 C ATOM 973 CG ASP A 60 12.871 5.698 -7.128 1.00 50.42 C ATOM 974 OD1 ASP A 60 13.196 6.701 -7.799 1.00 21.32 O ATOM 975 OD2 ASP A 60 12.281 5.771 -6.030 1.00 23.20 O ATOM 0 H ASP A 60 14.826 2.344 -7.606 1.00 22.24 H new ATOM 0 HA ASP A 60 14.479 4.654 -9.375 1.00 22.13 H new ATOM 0 HB2 ASP A 60 12.443 4.024 -8.390 1.00 40.20 H new ATOM 0 HB3 ASP A 60 13.188 3.599 -6.863 1.00 40.20 H new ATOM 980 N ILE A 61 16.076 6.194 -8.305 1.00 73.04 N ATOM 981 CA ILE A 61 17.021 7.129 -7.709 1.00 24.04 C ATOM 982 C ILE A 61 16.457 8.546 -7.692 1.00 23.44 C ATOM 983 O ILE A 61 16.343 9.192 -8.733 1.00 45.22 O ATOM 984 CB ILE A 61 18.363 7.132 -8.464 1.00 63.23 C ATOM 985 CG1 ILE A 61 18.983 5.733 -8.453 1.00 73.24 C ATOM 986 CG2 ILE A 61 19.317 8.144 -7.847 1.00 33.00 C ATOM 987 CD1 ILE A 61 18.995 5.067 -9.811 1.00 74.44 C ATOM 0 H ILE A 61 15.859 6.380 -9.284 1.00 73.04 H new ATOM 0 HA ILE A 61 17.190 6.796 -6.685 1.00 24.04 H new ATOM 0 HB ILE A 61 18.179 7.420 -9.499 1.00 63.23 H new ATOM 0 HG12 ILE A 61 20.005 5.800 -8.081 1.00 73.24 H new ATOM 0 HG13 ILE A 61 18.430 5.105 -7.754 1.00 73.24 H new ATOM 0 HG21 ILE A 61 20.261 8.134 -8.392 1.00 33.00 H new ATOM 0 HG22 ILE A 61 18.877 9.140 -7.902 1.00 33.00 H new ATOM 0 HG23 ILE A 61 19.498 7.885 -6.804 1.00 33.00 H new ATOM 0 HD11 ILE A 61 19.448 4.079 -9.728 1.00 74.44 H new ATOM 0 HD12 ILE A 61 17.973 4.968 -10.176 1.00 74.44 H new ATOM 0 HD13 ILE A 61 19.572 5.674 -10.509 1.00 74.44 H new ATOM 999 N TYR A 62 16.107 9.023 -6.502 1.00 63.33 N ATOM 1000 CA TYR A 62 15.554 10.363 -6.349 1.00 44.11 C ATOM 1001 C TYR A 62 16.258 11.118 -5.225 1.00 63.43 C ATOM 1002 O TYR A 62 16.616 10.536 -4.200 1.00 43.21 O ATOM 1003 CB TYR A 62 14.053 10.289 -6.066 1.00 40.04 C ATOM 1004 CG TYR A 62 13.723 9.834 -4.663 1.00 31.02 C ATOM 1005 CD1 TYR A 62 13.904 8.511 -4.280 1.00 70.50 C ATOM 1006 CD2 TYR A 62 13.229 10.727 -3.720 1.00 21.22 C ATOM 1007 CE1 TYR A 62 13.603 8.090 -2.999 1.00 21.10 C ATOM 1008 CE2 TYR A 62 12.927 10.315 -2.436 1.00 50.41 C ATOM 1009 CZ TYR A 62 13.115 8.996 -2.081 1.00 5.14 C ATOM 1010 OH TYR A 62 12.814 8.582 -0.803 1.00 43.03 O ATOM 0 H TYR A 62 16.197 8.501 -5.630 1.00 63.33 H new ATOM 0 HA TYR A 62 15.715 10.903 -7.282 1.00 44.11 H new ATOM 0 HB2 TYR A 62 13.611 11.271 -6.234 1.00 40.04 H new ATOM 0 HB3 TYR A 62 13.591 9.606 -6.779 1.00 40.04 H new ATOM 0 HD1 TYR A 62 14.287 7.799 -4.996 1.00 70.50 H new ATOM 0 HD2 TYR A 62 13.079 11.760 -3.995 1.00 21.22 H new ATOM 0 HE1 TYR A 62 13.749 7.057 -2.718 1.00 21.10 H new ATOM 0 HE2 TYR A 62 12.546 11.022 -1.714 1.00 50.41 H new ATOM 0 HH TYR A 62 12.483 9.343 -0.282 1.00 43.03 H new ATOM 1020 N LEU A 63 16.453 12.416 -5.425 1.00 40.42 N ATOM 1021 CA LEU A 63 17.113 13.253 -4.429 1.00 44.23 C ATOM 1022 C LEU A 63 16.117 13.744 -3.383 1.00 65.34 C ATOM 1023 O LEU A 63 14.931 13.908 -3.669 1.00 44.33 O ATOM 1024 CB LEU A 63 17.790 14.447 -5.105 1.00 51.13 C ATOM 1025 CG LEU A 63 18.865 14.112 -6.140 1.00 53.11 C ATOM 1026 CD1 LEU A 63 18.673 14.945 -7.398 1.00 0.43 C ATOM 1027 CD2 LEU A 63 20.253 14.334 -5.558 1.00 21.42 C ATOM 0 H LEU A 63 16.164 12.912 -6.268 1.00 40.42 H new ATOM 0 HA LEU A 63 17.870 12.650 -3.928 1.00 44.23 H new ATOM 0 HB2 LEU A 63 17.021 15.048 -5.591 1.00 51.13 H new ATOM 0 HB3 LEU A 63 18.240 15.070 -4.332 1.00 51.13 H new ATOM 0 HG LEU A 63 18.769 13.060 -6.408 1.00 53.11 H new ATOM 0 HD11 LEU A 63 19.447 14.693 -8.123 1.00 0.43 H new ATOM 0 HD12 LEU A 63 17.693 14.736 -7.826 1.00 0.43 H new ATOM 0 HD13 LEU A 63 18.742 16.004 -7.147 1.00 0.43 H new ATOM 0 HD21 LEU A 63 21.005 14.091 -6.308 1.00 21.42 H new ATOM 0 HD22 LEU A 63 20.361 15.377 -5.261 1.00 21.42 H new ATOM 0 HD23 LEU A 63 20.389 13.693 -4.687 1.00 21.42 H new ATOM 1039 N VAL A 64 16.608 13.978 -2.170 1.00 61.33 N ATOM 1040 CA VAL A 64 15.762 14.453 -1.082 1.00 62.11 C ATOM 1041 C VAL A 64 16.371 15.677 -0.407 1.00 71.11 C ATOM 1042 O VAL A 64 17.578 15.732 -0.170 1.00 33.33 O ATOM 1043 CB VAL A 64 15.538 13.355 -0.025 1.00 3.42 C ATOM 1044 CG1 VAL A 64 14.552 13.826 1.033 1.00 75.12 C ATOM 1045 CG2 VAL A 64 15.055 12.072 -0.684 1.00 11.33 C ATOM 0 H VAL A 64 17.587 13.846 -1.916 1.00 61.33 H new ATOM 0 HA VAL A 64 14.802 14.724 -1.522 1.00 62.11 H new ATOM 0 HB VAL A 64 16.489 13.148 0.466 1.00 3.42 H new ATOM 0 HG11 VAL A 64 14.406 13.037 1.771 1.00 75.12 H new ATOM 0 HG12 VAL A 64 14.944 14.716 1.525 1.00 75.12 H new ATOM 0 HG13 VAL A 64 13.598 14.063 0.562 1.00 75.12 H new ATOM 0 HG21 VAL A 64 14.902 11.307 0.077 1.00 11.33 H new ATOM 0 HG22 VAL A 64 14.115 12.261 -1.203 1.00 11.33 H new ATOM 0 HG23 VAL A 64 15.801 11.727 -1.400 1.00 11.33 H new ATOM 1055 N ASP A 65 15.528 16.657 -0.100 1.00 30.51 N ATOM 1056 CA ASP A 65 15.982 17.880 0.550 1.00 43.51 C ATOM 1057 C ASP A 65 15.420 17.986 1.964 1.00 22.22 C ATOM 1058 O ASP A 65 14.207 17.930 2.168 1.00 20.51 O ATOM 1059 CB ASP A 65 15.567 19.103 -0.270 1.00 35.02 C ATOM 1060 CG ASP A 65 14.298 18.863 -1.065 1.00 22.11 C ATOM 1061 OD1 ASP A 65 13.227 19.338 -0.632 1.00 43.32 O ATOM 1062 OD2 ASP A 65 14.377 18.200 -2.120 1.00 54.22 O ATOM 0 H ASP A 65 14.526 16.628 -0.291 1.00 30.51 H new ATOM 0 HA ASP A 65 17.070 17.846 0.613 1.00 43.51 H new ATOM 0 HB2 ASP A 65 15.419 19.952 0.398 1.00 35.02 H new ATOM 0 HB3 ASP A 65 16.374 19.371 -0.952 1.00 35.02 H new ATOM 1067 N THR A 66 16.311 18.138 2.940 1.00 74.13 N ATOM 1068 CA THR A 66 15.904 18.249 4.335 1.00 63.41 C ATOM 1069 C THR A 66 14.861 19.344 4.518 1.00 15.43 C ATOM 1070 O THR A 66 14.089 19.326 5.477 1.00 22.14 O ATOM 1071 CB THR A 66 17.108 18.544 5.249 1.00 44.10 C ATOM 1072 OG1 THR A 66 18.140 19.199 4.503 1.00 5.12 O ATOM 1073 CG2 THR A 66 17.653 17.261 5.859 1.00 54.13 C ATOM 0 H THR A 66 17.319 18.187 2.789 1.00 74.13 H new ATOM 0 HA THR A 66 15.471 17.289 4.615 1.00 63.41 H new ATOM 0 HB THR A 66 16.772 19.196 6.055 1.00 44.10 H new ATOM 0 HG1 THR A 66 18.901 19.385 5.091 1.00 5.12 H new ATOM 0 HG21 THR A 66 18.503 17.495 6.500 1.00 54.13 H new ATOM 0 HG22 THR A 66 16.874 16.780 6.450 1.00 54.13 H new ATOM 0 HG23 THR A 66 17.973 16.588 5.064 1.00 54.13 H new ATOM 1081 N SER A 67 14.841 20.298 3.592 1.00 23.14 N ATOM 1082 CA SER A 67 13.893 21.404 3.654 1.00 4.31 C ATOM 1083 C SER A 67 12.473 20.891 3.870 1.00 51.24 C ATOM 1084 O SER A 67 11.638 21.571 4.468 1.00 21.41 O ATOM 1085 CB SER A 67 13.959 22.232 2.369 1.00 3.33 C ATOM 1086 OG SER A 67 14.053 23.616 2.659 1.00 43.32 O ATOM 0 H SER A 67 15.471 20.327 2.790 1.00 23.14 H new ATOM 0 HA SER A 67 14.164 22.036 4.500 1.00 4.31 H new ATOM 0 HB2 SER A 67 14.820 21.922 1.777 1.00 3.33 H new ATOM 0 HB3 SER A 67 13.072 22.043 1.765 1.00 3.33 H new ATOM 0 HG SER A 67 14.096 24.124 1.822 1.00 43.32 H new ATOM 1092 N THR A 68 12.205 19.686 3.377 1.00 34.21 N ATOM 1093 CA THR A 68 10.886 19.080 3.514 1.00 51.54 C ATOM 1094 C THR A 68 10.849 18.101 4.681 1.00 71.32 C ATOM 1095 O THR A 68 9.803 17.890 5.294 1.00 43.41 O ATOM 1096 CB THR A 68 10.470 18.344 2.226 1.00 32.14 C ATOM 1097 OG1 THR A 68 11.555 17.541 1.749 1.00 31.41 O ATOM 1098 CG2 THR A 68 10.052 19.332 1.148 1.00 15.34 C ATOM 0 H THR A 68 12.884 19.110 2.879 1.00 34.21 H new ATOM 0 HA THR A 68 10.183 19.891 3.703 1.00 51.54 H new ATOM 0 HB THR A 68 9.619 17.704 2.459 1.00 32.14 H new ATOM 0 HG1 THR A 68 11.282 17.075 0.931 1.00 31.41 H new ATOM 0 HG21 THR A 68 9.763 18.788 0.249 1.00 15.34 H new ATOM 0 HG22 THR A 68 9.207 19.922 1.503 1.00 15.34 H new ATOM 0 HG23 THR A 68 10.886 19.995 0.919 1.00 15.34 H new ATOM 1106 N ASN A 69 11.997 17.504 4.983 1.00 4.13 N ATOM 1107 CA ASN A 69 12.096 16.546 6.078 1.00 32.23 C ATOM 1108 C ASN A 69 13.180 16.961 7.069 1.00 74.23 C ATOM 1109 O ASN A 69 14.204 16.295 7.222 1.00 74.53 O ATOM 1110 CB ASN A 69 12.395 15.147 5.534 1.00 14.34 C ATOM 1111 CG ASN A 69 13.732 15.077 4.824 1.00 44.03 C ATOM 1112 OD1 ASN A 69 14.689 14.495 5.335 1.00 44.14 O ATOM 1113 ND2 ASN A 69 13.805 15.672 3.639 1.00 74.24 N ATOM 0 H ASN A 69 12.872 17.667 4.485 1.00 4.13 H new ATOM 0 HA ASN A 69 11.139 16.529 6.600 1.00 32.23 H new ATOM 0 HB2 ASN A 69 12.385 14.431 6.356 1.00 14.34 H new ATOM 0 HB3 ASN A 69 11.604 14.852 4.844 1.00 14.34 H new ATOM 0 HD21 ASN A 69 14.680 15.658 3.114 1.00 74.24 H new ATOM 0 HD22 ASN A 69 12.986 16.143 3.253 1.00 74.24 H new ATOM 1120 N PRO A 70 12.950 18.088 7.759 1.00 45.04 N ATOM 1121 CA PRO A 70 13.895 18.617 8.747 1.00 30.11 C ATOM 1122 C PRO A 70 13.970 17.750 9.999 1.00 31.31 C ATOM 1123 O PRO A 70 15.002 17.696 10.666 1.00 24.32 O ATOM 1124 CB PRO A 70 13.320 19.995 9.085 1.00 64.13 C ATOM 1125 CG PRO A 70 11.865 19.882 8.788 1.00 31.52 C ATOM 1126 CD PRO A 70 11.752 18.933 7.627 1.00 35.32 C ATOM 0 HA PRO A 70 14.914 18.648 8.361 1.00 30.11 H new ATOM 0 HB2 PRO A 70 13.492 20.250 10.131 1.00 64.13 H new ATOM 0 HB3 PRO A 70 13.787 20.777 8.486 1.00 64.13 H new ATOM 0 HG2 PRO A 70 11.318 19.507 9.653 1.00 31.52 H new ATOM 0 HG3 PRO A 70 11.441 20.855 8.540 1.00 31.52 H new ATOM 0 HD2 PRO A 70 10.837 18.343 7.678 1.00 35.32 H new ATOM 0 HD3 PRO A 70 11.737 19.463 6.675 1.00 35.32 H new ATOM 1134 N GLU A 71 12.869 17.073 10.311 1.00 23.43 N ATOM 1135 CA GLU A 71 12.812 16.208 11.484 1.00 10.12 C ATOM 1136 C GLU A 71 13.428 14.844 11.186 1.00 41.44 C ATOM 1137 O GLU A 71 13.937 14.172 12.082 1.00 64.03 O ATOM 1138 CB GLU A 71 11.364 16.035 11.948 1.00 50.33 C ATOM 1139 CG GLU A 71 10.921 17.076 12.963 1.00 65.23 C ATOM 1140 CD GLU A 71 9.418 17.271 12.980 1.00 11.22 C ATOM 1141 OE1 GLU A 71 8.690 16.262 13.089 1.00 24.25 O ATOM 1142 OE2 GLU A 71 8.969 18.432 12.885 1.00 53.34 O ATOM 0 H GLU A 71 12.006 17.107 9.769 1.00 23.43 H new ATOM 0 HA GLU A 71 13.387 16.681 12.280 1.00 10.12 H new ATOM 0 HB2 GLU A 71 10.705 16.082 11.081 1.00 50.33 H new ATOM 0 HB3 GLU A 71 11.247 15.043 12.383 1.00 50.33 H new ATOM 0 HG2 GLU A 71 11.256 16.776 13.956 1.00 65.23 H new ATOM 0 HG3 GLU A 71 11.404 18.027 12.738 1.00 65.23 H new ATOM 1149 N ALA A 72 13.377 14.443 9.920 1.00 71.12 N ATOM 1150 CA ALA A 72 13.931 13.161 9.502 1.00 74.11 C ATOM 1151 C ALA A 72 15.395 13.036 9.910 1.00 14.11 C ATOM 1152 O ALA A 72 15.805 12.027 10.483 1.00 61.53 O ATOM 1153 CB ALA A 72 13.784 12.988 7.997 1.00 35.35 C ATOM 0 H ALA A 72 12.958 14.987 9.166 1.00 71.12 H new ATOM 0 HA ALA A 72 13.372 12.371 10.004 1.00 74.11 H new ATOM 0 HB1 ALA A 72 14.202 12.026 7.699 1.00 35.35 H new ATOM 0 HB2 ALA A 72 12.728 13.024 7.728 1.00 35.35 H new ATOM 0 HB3 ALA A 72 14.316 13.789 7.485 1.00 35.35 H new ATOM 1159 N ARG A 73 16.177 14.068 9.611 1.00 24.42 N ATOM 1160 CA ARG A 73 17.596 14.072 9.946 1.00 65.13 C ATOM 1161 C ARG A 73 17.809 13.741 11.420 1.00 34.20 C ATOM 1162 O ARG A 73 18.464 12.755 11.756 1.00 32.00 O ATOM 1163 CB ARG A 73 18.214 15.434 9.624 1.00 50.01 C ATOM 1164 CG ARG A 73 19.261 15.383 8.523 1.00 1.33 C ATOM 1165 CD ARG A 73 20.639 15.755 9.048 1.00 22.41 C ATOM 1166 NE ARG A 73 20.644 17.065 9.694 1.00 64.43 N ATOM 1167 CZ ARG A 73 21.750 17.683 10.092 1.00 24.04 C ATOM 1168 NH1 ARG A 73 22.934 17.113 9.912 1.00 1.51 N ATOM 1169 NH2 ARG A 73 21.674 18.874 10.672 1.00 33.03 N ATOM 0 H ARG A 73 15.852 14.911 9.138 1.00 24.42 H new ATOM 0 HA ARG A 73 18.087 13.306 9.345 1.00 65.13 H new ATOM 0 HB2 ARG A 73 17.422 16.122 9.329 1.00 50.01 H new ATOM 0 HB3 ARG A 73 18.669 15.840 10.528 1.00 50.01 H new ATOM 0 HG2 ARG A 73 19.292 14.381 8.095 1.00 1.33 H new ATOM 0 HG3 ARG A 73 18.980 16.065 7.720 1.00 1.33 H new ATOM 0 HD2 ARG A 73 20.972 14.999 9.759 1.00 22.41 H new ATOM 0 HD3 ARG A 73 21.353 15.754 8.224 1.00 22.41 H new ATOM 0 HE ARG A 73 19.749 17.530 9.848 1.00 64.43 H new ATOM 0 HH11 ARG A 73 22.997 16.197 9.467 1.00 1.51 H new ATOM 0 HH12 ARG A 73 23.782 17.590 10.219 1.00 1.51 H new ATOM 0 HH21 ARG A 73 20.765 19.316 10.813 1.00 33.03 H new ATOM 0 HH22 ARG A 73 22.524 19.348 10.977 1.00 33.03 H new ATOM 1183 N GLU A 74 17.250 14.572 12.294 1.00 0.03 N ATOM 1184 CA GLU A 74 17.380 14.367 13.732 1.00 12.42 C ATOM 1185 C GLU A 74 16.759 13.037 14.151 1.00 45.53 C ATOM 1186 O GLU A 74 17.177 12.429 15.136 1.00 14.02 O ATOM 1187 CB GLU A 74 16.715 15.515 14.495 1.00 1.21 C ATOM 1188 CG GLU A 74 17.689 16.348 15.311 1.00 2.13 C ATOM 1189 CD GLU A 74 17.079 17.648 15.799 1.00 22.10 C ATOM 1190 OE1 GLU A 74 16.566 17.671 16.937 1.00 12.14 O ATOM 1191 OE2 GLU A 74 17.115 18.641 15.043 1.00 13.12 O ATOM 0 H GLU A 74 16.703 15.392 12.032 1.00 0.03 H new ATOM 0 HA GLU A 74 18.442 14.345 13.975 1.00 12.42 H new ATOM 0 HB2 GLU A 74 16.202 16.163 13.785 1.00 1.21 H new ATOM 0 HB3 GLU A 74 15.954 15.106 15.160 1.00 1.21 H new ATOM 0 HG2 GLU A 74 18.029 15.767 16.168 1.00 2.13 H new ATOM 0 HG3 GLU A 74 18.568 16.568 14.706 1.00 2.13 H new ATOM 1198 N TRP A 75 15.761 12.594 13.395 1.00 24.34 N ATOM 1199 CA TRP A 75 15.083 11.336 13.688 1.00 54.22 C ATOM 1200 C TRP A 75 16.087 10.203 13.861 1.00 64.43 C ATOM 1201 O TRP A 75 15.868 9.280 14.646 1.00 13.21 O ATOM 1202 CB TRP A 75 14.096 10.994 12.570 1.00 31.24 C ATOM 1203 CG TRP A 75 13.003 10.066 13.007 1.00 13.00 C ATOM 1204 CD1 TRP A 75 12.092 10.283 14.001 1.00 21.04 C ATOM 1205 CD2 TRP A 75 12.707 8.774 12.465 1.00 43.44 C ATOM 1206 NE1 TRP A 75 11.248 9.204 14.110 1.00 64.21 N ATOM 1207 CE2 TRP A 75 11.604 8.265 13.178 1.00 43.43 C ATOM 1208 CE3 TRP A 75 13.266 7.999 11.445 1.00 53.22 C ATOM 1209 CZ2 TRP A 75 11.052 7.017 12.903 1.00 44.13 C ATOM 1210 CZ3 TRP A 75 12.717 6.760 11.173 1.00 10.33 C ATOM 1211 CH2 TRP A 75 11.619 6.279 11.899 1.00 1.42 C ATOM 0 H TRP A 75 15.404 13.086 12.576 1.00 24.34 H new ATOM 0 HA TRP A 75 14.536 11.456 14.623 1.00 54.22 H new ATOM 0 HB2 TRP A 75 13.652 11.915 12.193 1.00 31.24 H new ATOM 0 HB3 TRP A 75 14.639 10.540 11.742 1.00 31.24 H new ATOM 0 HD1 TRP A 75 12.042 11.172 14.612 1.00 21.04 H new ATOM 0 HE1 TRP A 75 10.481 9.116 14.777 1.00 64.21 H new ATOM 0 HE3 TRP A 75 14.112 8.362 10.880 1.00 53.22 H new ATOM 0 HZ2 TRP A 75 10.206 6.644 13.462 1.00 44.13 H new ATOM 0 HZ3 TRP A 75 13.141 6.152 10.388 1.00 10.33 H new ATOM 0 HH2 TRP A 75 11.212 5.307 11.662 1.00 1.42 H new ATOM 1222 N TYR A 76 17.190 10.277 13.123 1.00 14.32 N ATOM 1223 CA TYR A 76 18.227 9.256 13.194 1.00 63.50 C ATOM 1224 C TYR A 76 19.595 9.884 13.446 1.00 75.02 C ATOM 1225 O TYR A 76 20.616 9.199 13.436 1.00 62.14 O ATOM 1226 CB TYR A 76 18.259 8.440 11.900 1.00 11.40 C ATOM 1227 CG TYR A 76 19.133 7.209 11.981 1.00 1.40 C ATOM 1228 CD1 TYR A 76 20.017 6.893 10.957 1.00 62.12 C ATOM 1229 CD2 TYR A 76 19.075 6.362 13.081 1.00 54.52 C ATOM 1230 CE1 TYR A 76 20.818 5.769 11.026 1.00 75.11 C ATOM 1231 CE2 TYR A 76 19.872 5.237 13.159 1.00 1.31 C ATOM 1232 CZ TYR A 76 20.742 4.945 12.129 1.00 33.42 C ATOM 1233 OH TYR A 76 21.537 3.824 12.203 1.00 72.12 O ATOM 0 H TYR A 76 17.388 11.034 12.469 1.00 14.32 H new ATOM 0 HA TYR A 76 17.992 8.594 14.028 1.00 63.50 H new ATOM 0 HB2 TYR A 76 17.243 8.138 11.646 1.00 11.40 H new ATOM 0 HB3 TYR A 76 18.615 9.075 11.089 1.00 11.40 H new ATOM 0 HD1 TYR A 76 20.079 7.537 10.092 1.00 62.12 H new ATOM 0 HD2 TYR A 76 18.395 6.587 13.889 1.00 54.52 H new ATOM 0 HE1 TYR A 76 21.499 5.537 10.221 1.00 75.11 H new ATOM 0 HE2 TYR A 76 19.815 4.589 14.021 1.00 1.31 H new ATOM 0 HH TYR A 76 21.362 3.354 13.045 1.00 72.12 H new ATOM 1243 N ASN A 77 19.604 11.194 13.672 1.00 33.44 N ATOM 1244 CA ASN A 77 20.845 11.916 13.927 1.00 15.44 C ATOM 1245 C ASN A 77 21.888 11.599 12.860 1.00 11.33 C ATOM 1246 O ASN A 77 22.688 10.677 13.016 1.00 63.54 O ATOM 1247 CB ASN A 77 21.391 11.562 15.312 1.00 74.41 C ATOM 1248 CG ASN A 77 20.297 11.142 16.275 1.00 54.22 C ATOM 1249 OD1 ASN A 77 19.379 11.911 16.562 1.00 30.01 O ATOM 1250 ND2 ASN A 77 20.390 9.917 16.779 1.00 52.14 N ATOM 0 H ASN A 77 18.767 11.776 13.684 1.00 33.44 H new ATOM 0 HA ASN A 77 20.628 12.984 13.892 1.00 15.44 H new ATOM 0 HB2 ASN A 77 22.118 10.755 15.218 1.00 74.41 H new ATOM 0 HB3 ASN A 77 21.921 12.422 15.721 1.00 74.41 H new ATOM 0 HD21 ASN A 77 19.683 9.579 17.432 1.00 52.14 H new ATOM 0 HD22 ASN A 77 21.168 9.314 16.513 1.00 52.14 H new ATOM 1257 N ILE A 78 21.873 12.370 11.778 1.00 12.44 N ATOM 1258 CA ILE A 78 22.818 12.173 10.687 1.00 64.21 C ATOM 1259 C ILE A 78 23.942 13.203 10.740 1.00 72.34 C ATOM 1260 O ILE A 78 23.695 14.401 10.884 1.00 24.41 O ATOM 1261 CB ILE A 78 22.122 12.259 9.316 1.00 11.20 C ATOM 1262 CG1 ILE A 78 21.206 11.052 9.108 1.00 35.32 C ATOM 1263 CG2 ILE A 78 23.154 12.346 8.202 1.00 63.51 C ATOM 1264 CD1 ILE A 78 19.772 11.426 8.802 1.00 3.42 C ATOM 0 H ILE A 78 21.216 13.137 11.634 1.00 12.44 H new ATOM 0 HA ILE A 78 23.237 11.174 10.810 1.00 64.21 H new ATOM 0 HB ILE A 78 21.513 13.162 9.291 1.00 11.20 H new ATOM 0 HG12 ILE A 78 21.597 10.446 8.291 1.00 35.32 H new ATOM 0 HG13 ILE A 78 21.228 10.431 10.004 1.00 35.32 H new ATOM 0 HG21 ILE A 78 22.646 12.406 7.239 1.00 63.51 H new ATOM 0 HG22 ILE A 78 23.769 13.235 8.344 1.00 63.51 H new ATOM 0 HG23 ILE A 78 23.788 11.459 8.223 1.00 63.51 H new ATOM 0 HD11 ILE A 78 19.181 10.520 8.667 1.00 3.42 H new ATOM 0 HD12 ILE A 78 19.363 12.006 9.629 1.00 3.42 H new ATOM 0 HD13 ILE A 78 19.738 12.021 7.890 1.00 3.42 H new ATOM 1276 N THR A 79 25.178 12.729 10.620 1.00 61.44 N ATOM 1277 CA THR A 79 26.340 13.607 10.653 1.00 42.43 C ATOM 1278 C THR A 79 26.945 13.773 9.263 1.00 75.40 C ATOM 1279 O THR A 79 27.515 14.816 8.944 1.00 73.35 O ATOM 1280 CB THR A 79 27.422 13.073 11.610 1.00 31.32 C ATOM 1281 OG1 THR A 79 27.541 11.652 11.471 1.00 54.51 O ATOM 1282 CG2 THR A 79 27.087 13.420 13.053 1.00 71.41 C ATOM 0 H THR A 79 25.400 11.741 10.499 1.00 61.44 H new ATOM 0 HA THR A 79 25.993 14.575 11.013 1.00 42.43 H new ATOM 0 HB THR A 79 28.370 13.544 11.350 1.00 31.32 H new ATOM 0 HG1 THR A 79 28.232 11.320 12.082 1.00 54.51 H new ATOM 0 HG21 THR A 79 27.865 13.033 13.710 1.00 71.41 H new ATOM 0 HG22 THR A 79 27.026 14.503 13.162 1.00 71.41 H new ATOM 0 HG23 THR A 79 26.130 12.973 13.322 1.00 71.41 H new ATOM 1290 N SER A 80 26.815 12.737 8.440 1.00 64.03 N ATOM 1291 CA SER A 80 27.352 12.767 7.084 1.00 31.42 C ATOM 1292 C SER A 80 26.261 13.113 6.076 1.00 51.15 C ATOM 1293 O SER A 80 25.551 12.235 5.585 1.00 22.10 O ATOM 1294 CB SER A 80 27.978 11.416 6.731 1.00 3.23 C ATOM 1295 OG SER A 80 27.415 10.374 7.509 1.00 2.00 O ATOM 0 H SER A 80 26.343 11.867 8.688 1.00 64.03 H new ATOM 0 HA SER A 80 28.121 13.538 7.041 1.00 31.42 H new ATOM 0 HB2 SER A 80 27.826 11.207 5.672 1.00 3.23 H new ATOM 0 HB3 SER A 80 29.055 11.456 6.896 1.00 3.23 H new ATOM 0 HG SER A 80 27.831 9.521 7.263 1.00 2.00 H new ATOM 1301 N VAL A 81 26.133 14.401 5.770 1.00 21.44 N ATOM 1302 CA VAL A 81 25.130 14.865 4.820 1.00 71.03 C ATOM 1303 C VAL A 81 24.947 13.867 3.682 1.00 63.20 C ATOM 1304 O VAL A 81 23.853 13.357 3.440 1.00 22.42 O ATOM 1305 CB VAL A 81 25.509 16.236 4.229 1.00 13.11 C ATOM 1306 CG1 VAL A 81 24.357 17.218 4.377 1.00 14.24 C ATOM 1307 CG2 VAL A 81 26.767 16.773 4.894 1.00 11.24 C ATOM 0 H VAL A 81 26.712 15.141 6.167 1.00 21.44 H new ATOM 0 HA VAL A 81 24.194 14.960 5.370 1.00 71.03 H new ATOM 0 HB VAL A 81 25.713 16.110 3.166 1.00 13.11 H new ATOM 0 HG11 VAL A 81 24.643 18.181 3.954 1.00 14.24 H new ATOM 0 HG12 VAL A 81 23.483 16.835 3.850 1.00 14.24 H new ATOM 0 HG13 VAL A 81 24.118 17.342 5.433 1.00 14.24 H new ATOM 0 HG21 VAL A 81 27.020 17.742 4.464 1.00 11.24 H new ATOM 0 HG22 VAL A 81 26.593 16.885 5.964 1.00 11.24 H new ATOM 0 HG23 VAL A 81 27.590 16.077 4.731 1.00 11.24 H new ATOM 1317 N PRO A 82 26.044 13.579 2.965 1.00 0.42 N ATOM 1318 CA PRO A 82 26.031 12.639 1.841 1.00 70.20 C ATOM 1319 C PRO A 82 25.830 11.197 2.294 1.00 71.30 C ATOM 1320 O PRO A 82 26.774 10.407 2.325 1.00 61.34 O ATOM 1321 CB PRO A 82 27.417 12.814 1.215 1.00 10.44 C ATOM 1322 CG PRO A 82 28.275 13.309 2.328 1.00 11.33 C ATOM 1323 CD PRO A 82 27.381 14.150 3.197 1.00 4.35 C ATOM 0 HA PRO A 82 25.209 12.838 1.153 1.00 70.20 H new ATOM 0 HB2 PRO A 82 27.792 11.872 0.814 1.00 10.44 H new ATOM 0 HB3 PRO A 82 27.391 13.524 0.389 1.00 10.44 H new ATOM 0 HG2 PRO A 82 28.699 12.479 2.893 1.00 11.33 H new ATOM 0 HG3 PRO A 82 29.111 13.895 1.946 1.00 11.33 H new ATOM 0 HD2 PRO A 82 27.668 14.088 4.247 1.00 4.35 H new ATOM 0 HD3 PRO A 82 27.423 15.202 2.917 1.00 4.35 H new ATOM 1331 N THR A 83 24.593 10.858 2.645 1.00 1.53 N ATOM 1332 CA THR A 83 24.268 9.512 3.097 1.00 23.43 C ATOM 1333 C THR A 83 23.419 8.776 2.067 1.00 33.15 C ATOM 1334 O THR A 83 22.769 9.397 1.226 1.00 63.12 O ATOM 1335 CB THR A 83 23.518 9.536 4.442 1.00 14.12 C ATOM 1336 OG1 THR A 83 23.240 10.888 4.824 1.00 42.12 O ATOM 1337 CG2 THR A 83 24.334 8.854 5.530 1.00 54.01 C ATOM 0 H THR A 83 23.800 11.499 2.625 1.00 1.53 H new ATOM 0 HA THR A 83 25.214 8.986 3.227 1.00 23.43 H new ATOM 0 HB THR A 83 22.581 8.993 4.319 1.00 14.12 H new ATOM 0 HG1 THR A 83 24.073 11.332 5.087 1.00 42.12 H new ATOM 0 HG21 THR A 83 23.783 8.884 6.470 1.00 54.01 H new ATOM 0 HG22 THR A 83 24.519 7.817 5.250 1.00 54.01 H new ATOM 0 HG23 THR A 83 25.285 9.372 5.650 1.00 54.01 H new ATOM 1345 N PHE A 84 23.427 7.449 2.140 1.00 73.12 N ATOM 1346 CA PHE A 84 22.656 6.628 1.213 1.00 44.12 C ATOM 1347 C PHE A 84 21.935 5.505 1.952 1.00 60.44 C ATOM 1348 O PHE A 84 22.551 4.521 2.363 1.00 51.21 O ATOM 1349 CB PHE A 84 23.572 6.041 0.137 1.00 72.33 C ATOM 1350 CG PHE A 84 23.703 6.912 -1.080 1.00 34.21 C ATOM 1351 CD1 PHE A 84 23.207 6.494 -2.304 1.00 70.53 C ATOM 1352 CD2 PHE A 84 24.322 8.149 -0.999 1.00 74.21 C ATOM 1353 CE1 PHE A 84 23.325 7.293 -3.426 1.00 23.13 C ATOM 1354 CE2 PHE A 84 24.442 8.953 -2.117 1.00 25.51 C ATOM 1355 CZ PHE A 84 23.945 8.524 -3.332 1.00 31.41 C ATOM 0 H PHE A 84 23.958 6.919 2.831 1.00 73.12 H new ATOM 0 HA PHE A 84 21.909 7.264 0.737 1.00 44.12 H new ATOM 0 HB2 PHE A 84 24.561 5.876 0.564 1.00 72.33 H new ATOM 0 HB3 PHE A 84 23.188 5.066 -0.163 1.00 72.33 H new ATOM 0 HD1 PHE A 84 22.722 5.532 -2.383 1.00 70.53 H new ATOM 0 HD2 PHE A 84 24.715 8.489 -0.052 1.00 74.21 H new ATOM 0 HE1 PHE A 84 22.933 6.956 -4.374 1.00 23.13 H new ATOM 0 HE2 PHE A 84 24.924 9.916 -2.040 1.00 25.51 H new ATOM 0 HZ PHE A 84 24.041 9.150 -4.207 1.00 31.41 H new ATOM 1365 N VAL A 85 20.625 5.659 2.117 1.00 61.42 N ATOM 1366 CA VAL A 85 19.818 4.658 2.805 1.00 25.12 C ATOM 1367 C VAL A 85 18.981 3.853 1.818 1.00 62.22 C ATOM 1368 O VAL A 85 18.328 4.416 0.939 1.00 63.24 O ATOM 1369 CB VAL A 85 18.884 5.307 3.843 1.00 4.44 C ATOM 1370 CG1 VAL A 85 18.354 4.262 4.813 1.00 62.12 C ATOM 1371 CG2 VAL A 85 19.608 6.419 4.589 1.00 54.15 C ATOM 0 H VAL A 85 20.100 6.467 1.784 1.00 61.42 H new ATOM 0 HA VAL A 85 20.511 3.991 3.317 1.00 25.12 H new ATOM 0 HB VAL A 85 18.035 5.744 3.318 1.00 4.44 H new ATOM 0 HG11 VAL A 85 17.696 4.740 5.539 1.00 62.12 H new ATOM 0 HG12 VAL A 85 17.797 3.504 4.262 1.00 62.12 H new ATOM 0 HG13 VAL A 85 19.189 3.793 5.334 1.00 62.12 H new ATOM 0 HG21 VAL A 85 18.933 6.867 5.319 1.00 54.15 H new ATOM 0 HG22 VAL A 85 20.476 6.007 5.103 1.00 54.15 H new ATOM 0 HG23 VAL A 85 19.933 7.181 3.880 1.00 54.15 H new ATOM 1381 N ILE A 86 19.005 2.533 1.969 1.00 34.02 N ATOM 1382 CA ILE A 86 18.246 1.650 1.092 1.00 41.34 C ATOM 1383 C ILE A 86 17.175 0.892 1.868 1.00 74.25 C ATOM 1384 O ILE A 86 17.482 0.120 2.776 1.00 52.34 O ATOM 1385 CB ILE A 86 19.164 0.637 0.382 1.00 10.40 C ATOM 1386 CG1 ILE A 86 20.532 1.264 0.104 1.00 60.41 C ATOM 1387 CG2 ILE A 86 18.523 0.157 -0.911 1.00 74.21 C ATOM 1388 CD1 ILE A 86 21.505 0.318 -0.565 1.00 74.22 C ATOM 0 H ILE A 86 19.542 2.052 2.690 1.00 34.02 H new ATOM 0 HA ILE A 86 17.769 2.283 0.343 1.00 41.34 H new ATOM 0 HB ILE A 86 19.305 -0.224 1.036 1.00 10.40 H new ATOM 0 HG12 ILE A 86 20.399 2.142 -0.528 1.00 60.41 H new ATOM 0 HG13 ILE A 86 20.962 1.610 1.044 1.00 60.41 H new ATOM 0 HG21 ILE A 86 19.184 -0.558 -1.401 1.00 74.21 H new ATOM 0 HG22 ILE A 86 17.570 -0.323 -0.688 1.00 74.21 H new ATOM 0 HG23 ILE A 86 18.355 1.008 -1.572 1.00 74.21 H new ATOM 0 HD11 ILE A 86 22.453 0.829 -0.732 1.00 74.22 H new ATOM 0 HD12 ILE A 86 21.668 -0.549 0.075 1.00 74.22 H new ATOM 0 HD13 ILE A 86 21.096 -0.009 -1.521 1.00 74.22 H new ATOM 1400 N GLU A 87 15.916 1.116 1.502 1.00 64.25 N ATOM 1401 CA GLU A 87 14.799 0.452 2.163 1.00 4.03 C ATOM 1402 C GLU A 87 14.138 -0.560 1.231 1.00 2.55 C ATOM 1403 O GLU A 87 14.501 -0.672 0.060 1.00 14.32 O ATOM 1404 CB GLU A 87 13.769 1.482 2.629 1.00 14.43 C ATOM 1405 CG GLU A 87 12.791 1.899 1.543 1.00 11.24 C ATOM 1406 CD GLU A 87 13.480 2.525 0.346 1.00 23.53 C ATOM 1407 OE1 GLU A 87 14.476 3.250 0.549 1.00 44.44 O ATOM 1408 OE2 GLU A 87 13.024 2.289 -0.792 1.00 23.32 O ATOM 0 H GLU A 87 15.645 1.752 0.752 1.00 64.25 H new ATOM 0 HA GLU A 87 15.188 -0.081 3.031 1.00 4.03 H new ATOM 0 HB2 GLU A 87 13.211 1.071 3.470 1.00 14.43 H new ATOM 0 HB3 GLU A 87 14.291 2.366 2.995 1.00 14.43 H new ATOM 0 HG2 GLU A 87 12.224 1.028 1.216 1.00 11.24 H new ATOM 0 HG3 GLU A 87 12.075 2.609 1.957 1.00 11.24 H new ATOM 1415 N LYS A 88 13.166 -1.295 1.760 1.00 23.05 N ATOM 1416 CA LYS A 88 12.453 -2.297 0.978 1.00 34.53 C ATOM 1417 C LYS A 88 11.215 -2.788 1.722 1.00 15.13 C ATOM 1418 O LYS A 88 11.314 -3.582 2.656 1.00 31.24 O ATOM 1419 CB LYS A 88 13.373 -3.479 0.664 1.00 51.03 C ATOM 1420 CG LYS A 88 12.713 -4.557 -0.178 1.00 53.14 C ATOM 1421 CD LYS A 88 12.896 -5.935 0.436 1.00 51.42 C ATOM 1422 CE LYS A 88 11.697 -6.330 1.284 1.00 24.54 C ATOM 1423 NZ LYS A 88 11.443 -7.797 1.235 1.00 10.12 N ATOM 0 H LYS A 88 12.854 -1.215 2.728 1.00 23.05 H new ATOM 0 HA LYS A 88 12.135 -1.833 0.044 1.00 34.53 H new ATOM 0 HB2 LYS A 88 14.257 -3.112 0.142 1.00 51.03 H new ATOM 0 HB3 LYS A 88 13.716 -3.920 1.600 1.00 51.03 H new ATOM 0 HG2 LYS A 88 11.649 -4.341 -0.279 1.00 53.14 H new ATOM 0 HG3 LYS A 88 13.137 -4.546 -1.182 1.00 53.14 H new ATOM 0 HD2 LYS A 88 13.042 -6.671 -0.355 1.00 51.42 H new ATOM 0 HD3 LYS A 88 13.796 -5.944 1.050 1.00 51.42 H new ATOM 0 HE2 LYS A 88 11.866 -6.025 2.317 1.00 24.54 H new ATOM 0 HE3 LYS A 88 10.813 -5.796 0.935 1.00 24.54 H new ATOM 0 HZ1 LYS A 88 10.770 -8.058 1.984 1.00 10.12 H new ATOM 0 HZ2 LYS A 88 11.045 -8.050 0.308 1.00 10.12 H new ATOM 0 HZ3 LYS A 88 12.337 -8.309 1.379 1.00 10.12 H new ATOM 1437 N GLY A 89 10.048 -2.310 1.300 1.00 13.23 N ATOM 1438 CA GLY A 89 8.807 -2.712 1.937 1.00 23.11 C ATOM 1439 C GLY A 89 8.417 -1.794 3.078 1.00 1.13 C ATOM 1440 O GLY A 89 7.245 -1.454 3.238 1.00 25.54 O ATOM 0 H GLY A 89 9.940 -1.652 0.528 1.00 13.23 H new ATOM 0 HA2 GLY A 89 8.009 -2.724 1.195 1.00 23.11 H new ATOM 0 HA3 GLY A 89 8.908 -3.730 2.312 1.00 23.11 H new ATOM 1444 N GLY A 90 9.402 -1.392 3.876 1.00 41.42 N ATOM 1445 CA GLY A 90 9.135 -0.513 4.999 1.00 1.51 C ATOM 1446 C GLY A 90 10.070 -0.763 6.166 1.00 54.40 C ATOM 1447 O GLY A 90 9.623 -0.967 7.294 1.00 74.41 O ATOM 0 H GLY A 90 10.380 -1.660 3.764 1.00 41.42 H new ATOM 0 HA2 GLY A 90 9.231 0.524 4.676 1.00 1.51 H new ATOM 0 HA3 GLY A 90 8.105 -0.650 5.327 1.00 1.51 H new ATOM 1451 N GLU A 91 11.371 -0.747 5.894 1.00 72.50 N ATOM 1452 CA GLU A 91 12.370 -0.977 6.931 1.00 60.11 C ATOM 1453 C GLU A 91 13.780 -0.909 6.352 1.00 3.41 C ATOM 1454 O GLU A 91 14.006 -1.161 5.168 1.00 13.43 O ATOM 1455 CB GLU A 91 12.145 -2.337 7.595 1.00 71.22 C ATOM 1456 CG GLU A 91 11.899 -3.464 6.606 1.00 61.12 C ATOM 1457 CD GLU A 91 12.548 -4.767 7.032 1.00 12.43 C ATOM 1458 OE1 GLU A 91 13.298 -5.349 6.221 1.00 54.13 O ATOM 1459 OE2 GLU A 91 12.306 -5.204 8.177 1.00 51.24 O ATOM 0 H GLU A 91 11.758 -0.577 4.965 1.00 72.50 H new ATOM 0 HA GLU A 91 12.265 -0.193 7.681 1.00 60.11 H new ATOM 0 HB2 GLU A 91 13.015 -2.583 8.204 1.00 71.22 H new ATOM 0 HB3 GLU A 91 11.293 -2.265 8.271 1.00 71.22 H new ATOM 0 HG2 GLU A 91 10.825 -3.617 6.495 1.00 61.12 H new ATOM 0 HG3 GLU A 91 12.283 -3.174 5.628 1.00 61.12 H new ATOM 1466 N PRO A 92 14.754 -0.559 7.206 1.00 15.42 N ATOM 1467 CA PRO A 92 16.159 -0.448 6.803 1.00 34.42 C ATOM 1468 C PRO A 92 16.782 -1.806 6.496 1.00 52.30 C ATOM 1469 O PRO A 92 16.683 -2.740 7.292 1.00 34.41 O ATOM 1470 CB PRO A 92 16.830 0.184 8.025 1.00 34.11 C ATOM 1471 CG PRO A 92 15.959 -0.194 9.173 1.00 30.33 C ATOM 1472 CD PRO A 92 14.557 -0.244 8.631 1.00 23.23 C ATOM 0 HA PRO A 92 16.276 0.132 5.888 1.00 34.42 H new ATOM 0 HB2 PRO A 92 17.845 -0.191 8.158 1.00 34.11 H new ATOM 0 HB3 PRO A 92 16.901 1.267 7.922 1.00 34.11 H new ATOM 0 HG2 PRO A 92 16.253 -1.160 9.584 1.00 30.33 H new ATOM 0 HG3 PRO A 92 16.040 0.534 9.980 1.00 30.33 H new ATOM 0 HD2 PRO A 92 13.959 -1.005 9.132 1.00 23.23 H new ATOM 0 HD3 PRO A 92 14.040 0.706 8.765 1.00 23.23 H new ATOM 1480 N LEU A 93 17.424 -1.908 5.338 1.00 44.12 N ATOM 1481 CA LEU A 93 18.065 -3.152 4.925 1.00 0.04 C ATOM 1482 C LEU A 93 19.583 -3.002 4.903 1.00 12.34 C ATOM 1483 O LEU A 93 20.313 -3.924 5.264 1.00 43.35 O ATOM 1484 CB LEU A 93 17.563 -3.574 3.543 1.00 13.54 C ATOM 1485 CG LEU A 93 17.588 -5.074 3.249 1.00 45.33 C ATOM 1486 CD1 LEU A 93 16.595 -5.419 2.150 1.00 23.00 C ATOM 1487 CD2 LEU A 93 18.992 -5.517 2.861 1.00 75.04 C ATOM 0 H LEU A 93 17.515 -1.144 4.668 1.00 44.12 H new ATOM 0 HA LEU A 93 17.805 -3.923 5.650 1.00 0.04 H new ATOM 0 HB2 LEU A 93 16.539 -3.218 3.426 1.00 13.54 H new ATOM 0 HB3 LEU A 93 18.165 -3.066 2.789 1.00 13.54 H new ATOM 0 HG LEU A 93 17.297 -5.608 4.154 1.00 45.33 H new ATOM 0 HD11 LEU A 93 16.627 -6.491 1.954 1.00 23.00 H new ATOM 0 HD12 LEU A 93 15.590 -5.137 2.466 1.00 23.00 H new ATOM 0 HD13 LEU A 93 16.855 -4.876 1.241 1.00 23.00 H new ATOM 0 HD21 LEU A 93 18.992 -6.587 2.655 1.00 75.04 H new ATOM 0 HD22 LEU A 93 19.311 -4.976 1.970 1.00 75.04 H new ATOM 0 HD23 LEU A 93 19.680 -5.305 3.680 1.00 75.04 H new ATOM 1499 N GLY A 94 20.051 -1.831 4.480 1.00 74.31 N ATOM 1500 CA GLY A 94 21.479 -1.581 4.421 1.00 52.31 C ATOM 1501 C GLY A 94 21.820 -0.119 4.635 1.00 63.52 C ATOM 1502 O GLY A 94 20.973 0.666 5.058 1.00 5.34 O ATOM 0 H GLY A 94 19.467 -1.052 4.177 1.00 74.31 H new ATOM 0 HA2 GLY A 94 21.982 -2.183 5.178 1.00 52.31 H new ATOM 0 HA3 GLY A 94 21.861 -1.902 3.452 1.00 52.31 H new ATOM 1506 N GLU A 95 23.065 0.245 4.342 1.00 30.25 N ATOM 1507 CA GLU A 95 23.516 1.621 4.508 1.00 2.41 C ATOM 1508 C GLU A 95 24.865 1.838 3.827 1.00 34.32 C ATOM 1509 O GLU A 95 25.712 0.945 3.805 1.00 71.10 O ATOM 1510 CB GLU A 95 23.621 1.972 5.994 1.00 53.01 C ATOM 1511 CG GLU A 95 24.814 1.336 6.687 1.00 42.22 C ATOM 1512 CD GLU A 95 24.704 1.382 8.198 1.00 34.24 C ATOM 1513 OE1 GLU A 95 25.535 0.739 8.873 1.00 31.31 O ATOM 1514 OE2 GLU A 95 23.786 2.060 8.707 1.00 64.24 O ATOM 0 H GLU A 95 23.778 -0.393 3.989 1.00 30.25 H new ATOM 0 HA GLU A 95 22.781 2.275 4.038 1.00 2.41 H new ATOM 0 HB2 GLU A 95 23.685 3.055 6.099 1.00 53.01 H new ATOM 0 HB3 GLU A 95 22.708 1.657 6.499 1.00 53.01 H new ATOM 0 HG2 GLU A 95 24.906 0.299 6.365 1.00 42.22 H new ATOM 0 HG3 GLU A 95 25.725 1.848 6.377 1.00 42.22 H new ATOM 1521 N VAL A 96 25.056 3.030 3.272 1.00 51.23 N ATOM 1522 CA VAL A 96 26.301 3.365 2.590 1.00 15.33 C ATOM 1523 C VAL A 96 26.712 4.805 2.875 1.00 44.31 C ATOM 1524 O VAL A 96 25.868 5.694 2.985 1.00 11.34 O ATOM 1525 CB VAL A 96 26.177 3.170 1.067 1.00 31.35 C ATOM 1526 CG1 VAL A 96 27.457 3.600 0.368 1.00 24.41 C ATOM 1527 CG2 VAL A 96 25.842 1.722 0.742 1.00 23.22 C ATOM 0 H VAL A 96 24.365 3.780 3.281 1.00 51.23 H new ATOM 0 HA VAL A 96 27.065 2.689 2.974 1.00 15.33 H new ATOM 0 HB VAL A 96 25.364 3.798 0.702 1.00 31.35 H new ATOM 0 HG11 VAL A 96 27.351 3.455 -0.707 1.00 24.41 H new ATOM 0 HG12 VAL A 96 27.649 4.653 0.575 1.00 24.41 H new ATOM 0 HG13 VAL A 96 28.291 3.001 0.734 1.00 24.41 H new ATOM 0 HG21 VAL A 96 25.758 1.602 -0.338 1.00 23.22 H new ATOM 0 HG22 VAL A 96 26.632 1.072 1.119 1.00 23.22 H new ATOM 0 HG23 VAL A 96 24.896 1.453 1.212 1.00 23.22 H new ATOM 1537 N LYS A 97 28.017 5.029 2.992 1.00 12.43 N ATOM 1538 CA LYS A 97 28.543 6.362 3.262 1.00 3.04 C ATOM 1539 C LYS A 97 29.962 6.507 2.720 1.00 74.10 C ATOM 1540 O LYS A 97 30.718 5.538 2.668 1.00 45.54 O ATOM 1541 CB LYS A 97 28.530 6.643 4.767 1.00 61.13 C ATOM 1542 CG LYS A 97 29.615 5.905 5.533 1.00 53.43 C ATOM 1543 CD LYS A 97 30.627 6.868 6.131 1.00 20.43 C ATOM 1544 CE LYS A 97 31.320 6.265 7.343 1.00 21.45 C ATOM 1545 NZ LYS A 97 32.790 6.505 7.319 1.00 75.11 N ATOM 0 H LYS A 97 28.730 4.304 2.904 1.00 12.43 H new ATOM 0 HA LYS A 97 27.904 7.087 2.757 1.00 3.04 H new ATOM 0 HB2 LYS A 97 28.647 7.714 4.929 1.00 61.13 H new ATOM 0 HB3 LYS A 97 27.557 6.364 5.172 1.00 61.13 H new ATOM 0 HG2 LYS A 97 29.162 5.312 6.327 1.00 53.43 H new ATOM 0 HG3 LYS A 97 30.124 5.209 4.866 1.00 53.43 H new ATOM 0 HD2 LYS A 97 31.370 7.130 5.378 1.00 20.43 H new ATOM 0 HD3 LYS A 97 30.126 7.792 6.419 1.00 20.43 H new ATOM 0 HE2 LYS A 97 30.897 6.692 8.253 1.00 21.45 H new ATOM 0 HE3 LYS A 97 31.128 5.193 7.375 1.00 21.45 H new ATOM 0 HZ1 LYS A 97 33.225 6.079 8.162 1.00 75.11 H new ATOM 0 HZ2 LYS A 97 33.198 6.076 6.464 1.00 75.11 H new ATOM 0 HZ3 LYS A 97 32.975 7.528 7.314 1.00 75.11 H new ATOM 1559 N GLY A 98 30.316 7.724 2.318 1.00 15.13 N ATOM 1560 CA GLY A 98 31.643 7.973 1.787 1.00 53.13 C ATOM 1561 C GLY A 98 31.643 8.134 0.279 1.00 33.34 C ATOM 1562 O GLY A 98 30.670 7.808 -0.401 1.00 54.30 O ATOM 0 H GLY A 98 29.707 8.542 2.351 1.00 15.13 H new ATOM 0 HA2 GLY A 98 32.051 8.874 2.246 1.00 53.13 H new ATOM 0 HA3 GLY A 98 32.301 7.149 2.061 1.00 53.13 H new ATOM 1566 N PRO A 99 32.755 8.649 -0.265 1.00 23.43 N ATOM 1567 CA PRO A 99 32.904 8.865 -1.707 1.00 23.21 C ATOM 1568 C PRO A 99 33.014 7.556 -2.481 1.00 71.40 C ATOM 1569 O PRO A 99 34.097 7.175 -2.925 1.00 23.55 O ATOM 1570 CB PRO A 99 34.208 9.660 -1.814 1.00 20.24 C ATOM 1571 CG PRO A 99 34.976 9.293 -0.591 1.00 45.12 C ATOM 1572 CD PRO A 99 33.954 9.059 0.486 1.00 32.11 C ATOM 0 HA PRO A 99 32.041 9.376 -2.134 1.00 23.21 H new ATOM 0 HB2 PRO A 99 34.757 9.400 -2.719 1.00 20.24 H new ATOM 0 HB3 PRO A 99 34.016 10.732 -1.854 1.00 20.24 H new ATOM 0 HG2 PRO A 99 35.576 8.399 -0.761 1.00 45.12 H new ATOM 0 HG3 PRO A 99 35.664 10.090 -0.309 1.00 45.12 H new ATOM 0 HD2 PRO A 99 34.275 8.286 1.184 1.00 32.11 H new ATOM 0 HD3 PRO A 99 33.773 9.961 1.071 1.00 32.11 H new ATOM 1580 N ASP A 100 31.886 6.872 -2.640 1.00 63.31 N ATOM 1581 CA ASP A 100 31.856 5.605 -3.363 1.00 15.34 C ATOM 1582 C ASP A 100 30.731 5.595 -4.393 1.00 60.14 C ATOM 1583 O ASP A 100 30.035 4.592 -4.557 1.00 10.33 O ATOM 1584 CB ASP A 100 31.680 4.441 -2.386 1.00 62.04 C ATOM 1585 CG ASP A 100 30.287 4.389 -1.791 1.00 53.24 C ATOM 1586 OD1 ASP A 100 29.756 5.460 -1.429 1.00 54.14 O ATOM 1587 OD2 ASP A 100 29.727 3.278 -1.688 1.00 60.24 O ATOM 0 H ASP A 100 30.981 7.173 -2.278 1.00 63.31 H new ATOM 0 HA ASP A 100 32.805 5.490 -3.886 1.00 15.34 H new ATOM 0 HB2 ASP A 100 31.887 3.503 -2.902 1.00 62.04 H new ATOM 0 HB3 ASP A 100 32.412 4.531 -1.583 1.00 62.04 H new ATOM 1592 N ILE A 101 30.559 6.716 -5.085 1.00 12.32 N ATOM 1593 CA ILE A 101 29.519 6.836 -6.099 1.00 70.43 C ATOM 1594 C ILE A 101 29.710 5.805 -7.207 1.00 24.24 C ATOM 1595 O ILE A 101 28.745 5.354 -7.823 1.00 35.34 O ATOM 1596 CB ILE A 101 29.499 8.244 -6.722 1.00 62.03 C ATOM 1597 CG1 ILE A 101 28.898 9.251 -5.740 1.00 41.51 C ATOM 1598 CG2 ILE A 101 28.716 8.235 -8.026 1.00 53.24 C ATOM 1599 CD1 ILE A 101 27.450 8.975 -5.402 1.00 11.05 C ATOM 0 H ILE A 101 31.127 7.554 -4.962 1.00 12.32 H new ATOM 0 HA ILE A 101 28.568 6.656 -5.598 1.00 70.43 H new ATOM 0 HB ILE A 101 30.524 8.544 -6.939 1.00 62.03 H new ATOM 0 HG12 ILE A 101 29.485 9.245 -4.821 1.00 41.51 H new ATOM 0 HG13 ILE A 101 28.979 10.252 -6.163 1.00 41.51 H new ATOM 0 HG21 ILE A 101 28.711 9.237 -8.454 1.00 53.24 H new ATOM 0 HG22 ILE A 101 29.184 7.543 -8.727 1.00 53.24 H new ATOM 0 HG23 ILE A 101 27.691 7.918 -7.833 1.00 53.24 H new ATOM 0 HD11 ILE A 101 27.090 9.728 -4.701 1.00 11.05 H new ATOM 0 HD12 ILE A 101 26.851 9.010 -6.312 1.00 11.05 H new ATOM 0 HD13 ILE A 101 27.364 7.987 -4.949 1.00 11.05 H new ATOM 1611 N ASP A 102 30.962 5.435 -7.453 1.00 22.01 N ATOM 1612 CA ASP A 102 31.281 4.454 -8.484 1.00 40.42 C ATOM 1613 C ASP A 102 31.016 3.037 -7.987 1.00 31.12 C ATOM 1614 O ASP A 102 30.634 2.157 -8.759 1.00 45.22 O ATOM 1615 CB ASP A 102 32.742 4.592 -8.915 1.00 1.22 C ATOM 1616 CG ASP A 102 32.927 5.619 -10.015 1.00 22.02 C ATOM 1617 OD1 ASP A 102 33.998 5.614 -10.658 1.00 31.31 O ATOM 1618 OD2 ASP A 102 32.001 6.427 -10.233 1.00 51.32 O ATOM 0 H ASP A 102 31.773 5.800 -6.953 1.00 22.01 H new ATOM 0 HA ASP A 102 30.637 4.644 -9.343 1.00 40.42 H new ATOM 0 HB2 ASP A 102 33.347 4.874 -8.053 1.00 1.22 H new ATOM 0 HB3 ASP A 102 33.109 3.625 -9.259 1.00 1.22 H new ATOM 1623 N LYS A 103 31.221 2.822 -6.692 1.00 25.32 N ATOM 1624 CA LYS A 103 31.005 1.512 -6.090 1.00 30.53 C ATOM 1625 C LYS A 103 29.537 1.317 -5.724 1.00 70.41 C ATOM 1626 O LYS A 103 29.082 0.191 -5.517 1.00 62.45 O ATOM 1627 CB LYS A 103 31.878 1.350 -4.843 1.00 72.11 C ATOM 1628 CG LYS A 103 32.103 -0.098 -4.442 1.00 10.42 C ATOM 1629 CD LYS A 103 32.842 -0.201 -3.118 1.00 12.20 C ATOM 1630 CE LYS A 103 32.964 -1.646 -2.659 1.00 51.20 C ATOM 1631 NZ LYS A 103 32.314 -1.865 -1.337 1.00 44.30 N ATOM 0 H LYS A 103 31.537 3.539 -6.039 1.00 25.32 H new ATOM 0 HA LYS A 103 31.283 0.754 -6.822 1.00 30.53 H new ATOM 0 HB2 LYS A 103 32.844 1.823 -5.022 1.00 72.11 H new ATOM 0 HB3 LYS A 103 31.412 1.880 -4.012 1.00 72.11 H new ATOM 0 HG2 LYS A 103 31.143 -0.609 -4.365 1.00 10.42 H new ATOM 0 HG3 LYS A 103 32.673 -0.607 -5.219 1.00 10.42 H new ATOM 0 HD2 LYS A 103 33.836 0.235 -3.220 1.00 12.20 H new ATOM 0 HD3 LYS A 103 32.316 0.379 -2.360 1.00 12.20 H new ATOM 0 HE2 LYS A 103 32.509 -2.302 -3.401 1.00 51.20 H new ATOM 0 HE3 LYS A 103 34.017 -1.919 -2.595 1.00 51.20 H new ATOM 0 HZ1 LYS A 103 32.419 -2.862 -1.059 1.00 44.30 H new ATOM 0 HZ2 LYS A 103 32.765 -1.258 -0.623 1.00 44.30 H new ATOM 0 HZ3 LYS A 103 31.303 -1.629 -1.404 1.00 44.30 H new ATOM 1645 N LEU A 104 28.800 2.419 -5.647 1.00 51.12 N ATOM 1646 CA LEU A 104 27.382 2.369 -5.308 1.00 51.30 C ATOM 1647 C LEU A 104 26.643 1.378 -6.201 1.00 51.03 C ATOM 1648 O LEU A 104 25.761 0.652 -5.742 1.00 70.25 O ATOM 1649 CB LEU A 104 26.756 3.759 -5.442 1.00 22.31 C ATOM 1650 CG LEU A 104 25.384 3.942 -4.793 1.00 11.32 C ATOM 1651 CD1 LEU A 104 25.525 4.573 -3.416 1.00 73.31 C ATOM 1652 CD2 LEU A 104 24.483 4.790 -5.680 1.00 24.51 C ATOM 0 H LEU A 104 29.161 3.358 -5.815 1.00 51.12 H new ATOM 0 HA LEU A 104 27.293 2.035 -4.274 1.00 51.30 H new ATOM 0 HB2 LEU A 104 27.441 4.487 -5.008 1.00 22.31 H new ATOM 0 HB3 LEU A 104 26.669 3.996 -6.502 1.00 22.31 H new ATOM 0 HG LEU A 104 24.925 2.960 -4.676 1.00 11.32 H new ATOM 0 HD11 LEU A 104 24.538 4.696 -2.969 1.00 73.31 H new ATOM 0 HD12 LEU A 104 26.133 3.929 -2.781 1.00 73.31 H new ATOM 0 HD13 LEU A 104 26.005 5.547 -3.510 1.00 73.31 H new ATOM 0 HD21 LEU A 104 23.511 4.910 -5.202 1.00 24.51 H new ATOM 0 HD22 LEU A 104 24.937 5.770 -5.829 1.00 24.51 H new ATOM 0 HD23 LEU A 104 24.355 4.299 -6.645 1.00 24.51 H new ATOM 1664 N ARG A 105 27.010 1.352 -7.478 1.00 42.33 N ATOM 1665 CA ARG A 105 26.383 0.449 -8.436 1.00 12.44 C ATOM 1666 C ARG A 105 26.447 -0.994 -7.945 1.00 5.03 C ATOM 1667 O ARG A 105 25.511 -1.768 -8.140 1.00 62.10 O ATOM 1668 CB ARG A 105 27.063 0.566 -9.801 1.00 25.03 C ATOM 1669 CG ARG A 105 28.517 0.122 -9.796 1.00 60.33 C ATOM 1670 CD ARG A 105 29.245 0.585 -11.048 1.00 50.34 C ATOM 1671 NE ARG A 105 30.308 -0.338 -11.437 1.00 0.31 N ATOM 1672 CZ ARG A 105 30.998 -0.231 -12.567 1.00 54.51 C ATOM 1673 NH1 ARG A 105 30.737 0.754 -13.416 1.00 4.54 N ATOM 1674 NH2 ARG A 105 31.950 -1.110 -12.850 1.00 43.34 N ATOM 0 H ARG A 105 27.739 1.946 -7.873 1.00 42.33 H new ATOM 0 HA ARG A 105 25.336 0.735 -8.535 1.00 12.44 H new ATOM 0 HB2 ARG A 105 26.511 -0.033 -10.525 1.00 25.03 H new ATOM 0 HB3 ARG A 105 27.009 1.601 -10.137 1.00 25.03 H new ATOM 0 HG2 ARG A 105 29.018 0.522 -8.914 1.00 60.33 H new ATOM 0 HG3 ARG A 105 28.567 -0.965 -9.726 1.00 60.33 H new ATOM 0 HD2 ARG A 105 28.532 0.682 -11.867 1.00 50.34 H new ATOM 0 HD3 ARG A 105 29.669 1.574 -10.876 1.00 50.34 H new ATOM 0 HE ARG A 105 30.533 -1.107 -10.806 1.00 0.31 H new ATOM 0 HH11 ARG A 105 30.005 1.431 -13.202 1.00 4.54 H new ATOM 0 HH12 ARG A 105 31.268 0.834 -14.283 1.00 4.54 H new ATOM 0 HH21 ARG A 105 32.153 -1.869 -12.200 1.00 43.34 H new ATOM 0 HH22 ARG A 105 32.479 -1.027 -13.718 1.00 43.34 H new ATOM 1688 N GLU A 106 27.559 -1.348 -7.307 1.00 43.44 N ATOM 1689 CA GLU A 106 27.746 -2.698 -6.790 1.00 72.23 C ATOM 1690 C GLU A 106 27.193 -2.819 -5.373 1.00 22.30 C ATOM 1691 O GLU A 106 26.599 -3.835 -5.010 1.00 21.11 O ATOM 1692 CB GLU A 106 29.229 -3.074 -6.805 1.00 1.52 C ATOM 1693 CG GLU A 106 29.963 -2.606 -8.050 1.00 50.04 C ATOM 1694 CD GLU A 106 29.437 -3.255 -9.316 1.00 14.12 C ATOM 1695 OE1 GLU A 106 28.534 -4.112 -9.211 1.00 51.30 O ATOM 1696 OE2 GLU A 106 29.927 -2.907 -10.410 1.00 50.30 O ATOM 0 H GLU A 106 28.343 -0.718 -7.136 1.00 43.44 H new ATOM 0 HA GLU A 106 27.199 -3.385 -7.435 1.00 72.23 H new ATOM 0 HB2 GLU A 106 29.712 -2.647 -5.926 1.00 1.52 H new ATOM 0 HB3 GLU A 106 29.321 -4.157 -6.725 1.00 1.52 H new ATOM 0 HG2 GLU A 106 29.871 -1.523 -8.136 1.00 50.04 H new ATOM 0 HG3 GLU A 106 31.025 -2.828 -7.946 1.00 50.04 H new ATOM 1703 N THR A 107 27.394 -1.775 -4.575 1.00 33.23 N ATOM 1704 CA THR A 107 26.918 -1.764 -3.197 1.00 50.11 C ATOM 1705 C THR A 107 25.399 -1.877 -3.139 1.00 70.40 C ATOM 1706 O THR A 107 24.844 -2.452 -2.201 1.00 64.02 O ATOM 1707 CB THR A 107 27.354 -0.482 -2.463 1.00 21.13 C ATOM 1708 OG1 THR A 107 28.678 -0.113 -2.865 1.00 72.13 O ATOM 1709 CG2 THR A 107 27.314 -0.682 -0.955 1.00 42.02 C ATOM 0 H THR A 107 27.883 -0.926 -4.859 1.00 33.23 H new ATOM 0 HA THR A 107 27.363 -2.627 -2.702 1.00 50.11 H new ATOM 0 HB THR A 107 26.659 0.315 -2.727 1.00 21.13 H new ATOM 0 HG1 THR A 107 28.649 0.288 -3.759 1.00 72.13 H new ATOM 0 HG21 THR A 107 27.626 0.236 -0.458 1.00 42.02 H new ATOM 0 HG22 THR A 107 26.299 -0.934 -0.648 1.00 42.02 H new ATOM 0 HG23 THR A 107 27.989 -1.492 -0.677 1.00 42.02 H new ATOM 1717 N LEU A 108 24.730 -1.327 -4.147 1.00 24.34 N ATOM 1718 CA LEU A 108 23.274 -1.368 -4.211 1.00 14.44 C ATOM 1719 C LEU A 108 22.792 -2.668 -4.847 1.00 2.32 C ATOM 1720 O LEU A 108 21.666 -3.106 -4.611 1.00 61.03 O ATOM 1721 CB LEU A 108 22.745 -0.172 -5.005 1.00 1.34 C ATOM 1722 CG LEU A 108 22.434 -0.430 -6.479 1.00 44.34 C ATOM 1723 CD1 LEU A 108 21.002 -0.911 -6.647 1.00 34.42 C ATOM 1724 CD2 LEU A 108 22.676 0.827 -7.303 1.00 62.21 C ATOM 0 H LEU A 108 25.173 -0.848 -4.931 1.00 24.34 H new ATOM 0 HA LEU A 108 22.889 -1.320 -3.192 1.00 14.44 H new ATOM 0 HB2 LEU A 108 21.837 0.188 -4.520 1.00 1.34 H new ATOM 0 HB3 LEU A 108 23.479 0.632 -4.944 1.00 1.34 H new ATOM 0 HG LEU A 108 23.102 -1.212 -6.839 1.00 44.34 H new ATOM 0 HD11 LEU A 108 20.800 -1.089 -7.703 1.00 34.42 H new ATOM 0 HD12 LEU A 108 20.861 -1.837 -6.089 1.00 34.42 H new ATOM 0 HD13 LEU A 108 20.317 -0.152 -6.269 1.00 34.42 H new ATOM 0 HD21 LEU A 108 22.450 0.625 -8.350 1.00 62.21 H new ATOM 0 HD22 LEU A 108 22.033 1.629 -6.941 1.00 62.21 H new ATOM 0 HD23 LEU A 108 23.719 1.128 -7.209 1.00 62.21 H new ATOM 1736 N ASP A 109 23.653 -3.280 -5.652 1.00 22.41 N ATOM 1737 CA ASP A 109 23.317 -4.533 -6.320 1.00 4.44 C ATOM 1738 C ASP A 109 23.466 -5.714 -5.366 1.00 2.10 C ATOM 1739 O ASP A 109 22.581 -6.563 -5.272 1.00 54.13 O ATOM 1740 CB ASP A 109 24.208 -4.736 -7.546 1.00 60.03 C ATOM 1741 CG ASP A 109 24.352 -6.198 -7.921 1.00 40.12 C ATOM 1742 OD1 ASP A 109 25.489 -6.713 -7.876 1.00 31.34 O ATOM 1743 OD2 ASP A 109 23.328 -6.827 -8.259 1.00 52.23 O ATOM 0 H ASP A 109 24.588 -2.930 -5.858 1.00 22.41 H new ATOM 0 HA ASP A 109 22.277 -4.478 -6.641 1.00 4.44 H new ATOM 0 HB2 ASP A 109 23.791 -4.187 -8.390 1.00 60.03 H new ATOM 0 HB3 ASP A 109 25.194 -4.316 -7.349 1.00 60.03 H new ATOM 1748 N GLU A 110 24.593 -5.761 -4.662 1.00 33.15 N ATOM 1749 CA GLU A 110 24.857 -6.840 -3.717 1.00 4.22 C ATOM 1750 C GLU A 110 23.719 -6.972 -2.709 1.00 60.32 C ATOM 1751 O GLU A 110 23.511 -8.037 -2.126 1.00 63.33 O ATOM 1752 CB GLU A 110 26.177 -6.592 -2.983 1.00 32.34 C ATOM 1753 CG GLU A 110 27.365 -6.406 -3.912 1.00 33.25 C ATOM 1754 CD GLU A 110 28.171 -7.678 -4.090 1.00 32.12 C ATOM 1755 OE1 GLU A 110 29.330 -7.715 -3.626 1.00 32.13 O ATOM 1756 OE2 GLU A 110 27.644 -8.636 -4.693 1.00 55.31 O ATOM 0 H GLU A 110 25.336 -5.066 -4.728 1.00 33.15 H new ATOM 0 HA GLU A 110 24.930 -7.771 -4.279 1.00 4.22 H new ATOM 0 HB2 GLU A 110 26.074 -5.706 -2.357 1.00 32.34 H new ATOM 0 HB3 GLU A 110 26.376 -7.431 -2.317 1.00 32.34 H new ATOM 0 HG2 GLU A 110 27.011 -6.066 -4.885 1.00 33.25 H new ATOM 0 HG3 GLU A 110 28.012 -5.623 -3.516 1.00 33.25 H new ATOM 1763 N LEU A 111 22.985 -5.883 -2.509 1.00 31.52 N ATOM 1764 CA LEU A 111 21.867 -5.876 -1.571 1.00 62.33 C ATOM 1765 C LEU A 111 20.544 -6.083 -2.300 1.00 75.25 C ATOM 1766 O LEU A 111 19.736 -6.930 -1.915 1.00 40.05 O ATOM 1767 CB LEU A 111 21.835 -4.558 -0.796 1.00 33.11 C ATOM 1768 CG LEU A 111 20.506 -4.205 -0.128 1.00 34.05 C ATOM 1769 CD1 LEU A 111 20.745 -3.446 1.168 1.00 12.23 C ATOM 1770 CD2 LEU A 111 19.633 -3.391 -1.072 1.00 5.41 C ATOM 0 H LEU A 111 23.143 -4.994 -2.983 1.00 31.52 H new ATOM 0 HA LEU A 111 22.007 -6.699 -0.870 1.00 62.33 H new ATOM 0 HB2 LEU A 111 22.607 -4.593 -0.027 1.00 33.11 H new ATOM 0 HB3 LEU A 111 22.101 -3.751 -1.479 1.00 33.11 H new ATOM 0 HG LEU A 111 19.983 -5.132 0.109 1.00 34.05 H new ATOM 0 HD11 LEU A 111 19.788 -3.203 1.629 1.00 12.23 H new ATOM 0 HD12 LEU A 111 21.330 -4.064 1.849 1.00 12.23 H new ATOM 0 HD13 LEU A 111 21.289 -2.526 0.956 1.00 12.23 H new ATOM 0 HD21 LEU A 111 18.691 -3.149 -0.579 1.00 5.41 H new ATOM 0 HD22 LEU A 111 20.149 -2.469 -1.341 1.00 5.41 H new ATOM 0 HD23 LEU A 111 19.432 -3.971 -1.973 1.00 5.41 H new ATOM 1782 N LEU A 112 20.328 -5.306 -3.356 1.00 61.43 N ATOM 1783 CA LEU A 112 19.103 -5.406 -4.142 1.00 11.31 C ATOM 1784 C LEU A 112 18.946 -6.803 -4.733 1.00 25.35 C ATOM 1785 O LEU A 112 17.846 -7.213 -5.099 1.00 73.32 O ATOM 1786 CB LEU A 112 19.106 -4.364 -5.262 1.00 0.21 C ATOM 1787 CG LEU A 112 17.771 -4.139 -5.973 1.00 63.14 C ATOM 1788 CD1 LEU A 112 16.678 -3.814 -4.967 1.00 43.33 C ATOM 1789 CD2 LEU A 112 17.897 -3.028 -7.005 1.00 3.50 C ATOM 0 H LEU A 112 20.985 -4.600 -3.688 1.00 61.43 H new ATOM 0 HA LEU A 112 18.259 -5.216 -3.479 1.00 11.31 H new ATOM 0 HB2 LEU A 112 19.438 -3.413 -4.845 1.00 0.21 H new ATOM 0 HB3 LEU A 112 19.845 -4.661 -6.006 1.00 0.21 H new ATOM 0 HG LEU A 112 17.497 -5.059 -6.490 1.00 63.14 H new ATOM 0 HD11 LEU A 112 15.736 -3.657 -5.492 1.00 43.33 H new ATOM 0 HD12 LEU A 112 16.570 -4.642 -4.267 1.00 43.33 H new ATOM 0 HD13 LEU A 112 16.944 -2.909 -4.420 1.00 43.33 H new ATOM 0 HD21 LEU A 112 16.938 -2.882 -7.501 1.00 3.50 H new ATOM 0 HD22 LEU A 112 18.194 -2.104 -6.510 1.00 3.50 H new ATOM 0 HD23 LEU A 112 18.650 -3.302 -7.744 1.00 3.50 H new ATOM 1801 N ALA A 113 20.055 -7.531 -4.819 1.00 43.24 N ATOM 1802 CA ALA A 113 20.041 -8.884 -5.361 1.00 54.11 C ATOM 1803 C ALA A 113 19.052 -9.767 -4.607 1.00 10.42 C ATOM 1804 O ALA A 113 18.546 -10.750 -5.147 1.00 54.03 O ATOM 1805 CB ALA A 113 21.436 -9.488 -5.310 1.00 21.11 C ATOM 0 H ALA A 113 20.974 -7.206 -4.520 1.00 43.24 H new ATOM 0 HA ALA A 113 19.719 -8.829 -6.401 1.00 54.11 H new ATOM 0 HB1 ALA A 113 21.410 -10.498 -5.718 1.00 21.11 H new ATOM 0 HB2 ALA A 113 22.119 -8.876 -5.899 1.00 21.11 H new ATOM 0 HB3 ALA A 113 21.780 -9.523 -4.276 1.00 21.11 H new ATOM 1811 N ARG A 114 18.782 -9.409 -3.355 1.00 62.34 N ATOM 1812 CA ARG A 114 17.855 -10.171 -2.526 1.00 45.54 C ATOM 1813 C ARG A 114 16.492 -10.287 -3.202 1.00 20.14 C ATOM 1814 O ARG A 114 16.014 -11.389 -3.474 1.00 63.30 O ATOM 1815 CB ARG A 114 17.703 -9.509 -1.156 1.00 33.05 C ATOM 1816 CG ARG A 114 16.841 -10.304 -0.188 1.00 53.14 C ATOM 1817 CD ARG A 114 17.664 -10.862 0.962 1.00 12.43 C ATOM 1818 NE ARG A 114 17.025 -12.020 1.581 1.00 13.35 N ATOM 1819 CZ ARG A 114 17.644 -12.836 2.427 1.00 13.23 C ATOM 1820 NH1 ARG A 114 18.911 -12.621 2.753 1.00 32.42 N ATOM 1821 NH2 ARG A 114 16.995 -13.869 2.949 1.00 13.34 N ATOM 0 H ARG A 114 19.192 -8.597 -2.893 1.00 62.34 H new ATOM 0 HA ARG A 114 18.262 -11.174 -2.394 1.00 45.54 H new ATOM 0 HB2 ARG A 114 18.691 -9.368 -0.718 1.00 33.05 H new ATOM 0 HB3 ARG A 114 17.268 -8.518 -1.287 1.00 33.05 H new ATOM 0 HG2 ARG A 114 16.050 -9.665 0.206 1.00 53.14 H new ATOM 0 HG3 ARG A 114 16.355 -11.122 -0.720 1.00 53.14 H new ATOM 0 HD2 ARG A 114 18.651 -11.145 0.597 1.00 12.43 H new ATOM 0 HD3 ARG A 114 17.812 -10.085 1.712 1.00 12.43 H new ATOM 0 HE ARG A 114 16.050 -12.213 1.351 1.00 13.35 H new ATOM 0 HH11 ARG A 114 19.413 -11.828 2.354 1.00 32.42 H new ATOM 0 HH12 ARG A 114 19.384 -13.249 3.403 1.00 32.42 H new ATOM 0 HH21 ARG A 114 16.020 -14.037 2.701 1.00 13.34 H new ATOM 0 HH22 ARG A 114 17.471 -14.495 3.598 1.00 13.34 H new ATOM 1835 N LEU A 115 15.870 -9.144 -3.468 1.00 43.15 N ATOM 1836 CA LEU A 115 14.561 -9.117 -4.111 1.00 61.05 C ATOM 1837 C LEU A 115 14.701 -9.094 -5.630 1.00 73.32 C ATOM 1838 O LEU A 115 14.185 -9.970 -6.323 1.00 72.52 O ATOM 1839 CB LEU A 115 13.766 -7.897 -3.643 1.00 32.32 C ATOM 1840 CG LEU A 115 12.243 -8.018 -3.720 1.00 64.44 C ATOM 1841 CD1 LEU A 115 11.716 -8.869 -2.575 1.00 65.12 C ATOM 1842 CD2 LEU A 115 11.597 -6.641 -3.705 1.00 4.41 C ATOM 0 H LEU A 115 16.251 -8.224 -3.248 1.00 43.15 H new ATOM 0 HA LEU A 115 14.026 -10.023 -3.827 1.00 61.05 H new ATOM 0 HB2 LEU A 115 14.042 -7.683 -2.610 1.00 32.32 H new ATOM 0 HB3 LEU A 115 14.073 -7.038 -4.239 1.00 32.32 H new ATOM 0 HG LEU A 115 11.984 -8.508 -4.658 1.00 64.44 H new ATOM 0 HD11 LEU A 115 10.631 -8.944 -2.647 1.00 65.12 H new ATOM 0 HD12 LEU A 115 12.153 -9.866 -2.632 1.00 65.12 H new ATOM 0 HD13 LEU A 115 11.986 -8.408 -1.625 1.00 65.12 H new ATOM 0 HD21 LEU A 115 10.514 -6.747 -3.760 1.00 4.41 H new ATOM 0 HD22 LEU A 115 11.864 -6.124 -2.784 1.00 4.41 H new ATOM 0 HD23 LEU A 115 11.949 -6.064 -4.560 1.00 4.41 H new ATOM 1854 N GLU A 116 15.403 -8.087 -6.140 1.00 25.41 N ATOM 1855 CA GLU A 116 15.612 -7.952 -7.577 1.00 32.43 C ATOM 1856 C GLU A 116 16.876 -8.687 -8.015 1.00 11.44 C ATOM 1857 O GLU A 116 16.905 -9.316 -9.071 1.00 60.05 O ATOM 1858 CB GLU A 116 15.707 -6.475 -7.964 1.00 73.22 C ATOM 1859 CG GLU A 116 14.626 -6.030 -8.935 1.00 12.11 C ATOM 1860 CD GLU A 116 14.718 -6.735 -10.274 1.00 44.34 C ATOM 1861 OE1 GLU A 116 13.710 -7.337 -10.698 1.00 33.31 O ATOM 1862 OE2 GLU A 116 15.799 -6.684 -10.899 1.00 34.13 O ATOM 0 H GLU A 116 15.836 -7.353 -5.580 1.00 25.41 H new ATOM 0 HA GLU A 116 14.758 -8.399 -8.086 1.00 32.43 H new ATOM 0 HB2 GLU A 116 15.646 -5.867 -7.061 1.00 73.22 H new ATOM 0 HB3 GLU A 116 16.684 -6.287 -8.410 1.00 73.22 H new ATOM 0 HG2 GLU A 116 13.647 -6.220 -8.495 1.00 12.11 H new ATOM 0 HG3 GLU A 116 14.702 -4.954 -9.089 1.00 12.11 H new