USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.56 K(o=-0.56,f=-3.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 98:sc= 1.18 USER MOD Single : A 35 THR OG1 : rot 73:sc= 0.619 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.555 K(o=-0.55,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.82! X(o=-1.8!,f=-2.3) USER MOD Single : A 50 SER OG : rot 173:sc= -1.28 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -34:sc= 0.0528 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 13 36.165 6.949 -25.563 1.00 40.12 N ATOM 71 CA ILE A 13 36.108 7.293 -24.148 1.00 72.11 C ATOM 72 C ILE A 13 37.499 7.279 -23.522 1.00 32.13 C ATOM 73 O ILE A 13 37.799 8.072 -22.631 1.00 54.30 O ATOM 74 CB ILE A 13 35.198 6.325 -23.369 1.00 12.10 C ATOM 75 CG1 ILE A 13 35.295 6.596 -21.866 1.00 5.35 C ATOM 76 CG2 ILE A 13 35.571 4.882 -23.678 1.00 55.41 C ATOM 77 CD1 ILE A 13 34.328 5.778 -21.041 1.00 45.43 C ATOM 0 HA ILE A 13 35.693 8.299 -24.085 1.00 72.11 H new ATOM 0 HB ILE A 13 34.167 6.488 -23.682 1.00 12.10 H new ATOM 0 HG12 ILE A 13 36.311 6.387 -21.532 1.00 5.35 H new ATOM 0 HG13 ILE A 13 35.111 7.655 -21.683 1.00 5.35 H new ATOM 0 HG21 ILE A 13 34.919 4.210 -23.120 1.00 55.41 H new ATOM 0 HG22 ILE A 13 35.455 4.697 -24.746 1.00 55.41 H new ATOM 0 HG23 ILE A 13 36.607 4.704 -23.390 1.00 55.41 H new ATOM 0 HD11 ILE A 13 34.453 6.022 -19.986 1.00 45.43 H new ATOM 0 HD12 ILE A 13 33.307 6.004 -21.347 1.00 45.43 H new ATOM 0 HD13 ILE A 13 34.526 4.717 -21.194 1.00 45.43 H new ATOM 89 N VAL A 14 38.346 6.372 -23.998 1.00 31.14 N ATOM 90 CA VAL A 14 39.708 6.256 -23.489 1.00 62.04 C ATOM 91 C VAL A 14 40.561 7.441 -23.925 1.00 11.52 C ATOM 92 O VAL A 14 41.495 7.836 -23.229 1.00 75.34 O ATOM 93 CB VAL A 14 40.376 4.952 -23.966 1.00 11.42 C ATOM 94 CG1 VAL A 14 40.547 4.963 -25.478 1.00 14.44 C ATOM 95 CG2 VAL A 14 41.715 4.757 -23.272 1.00 35.45 C ATOM 0 H VAL A 14 38.113 5.707 -24.735 1.00 31.14 H new ATOM 0 HA VAL A 14 39.639 6.243 -22.401 1.00 62.04 H new ATOM 0 HB VAL A 14 39.730 4.114 -23.703 1.00 11.42 H new ATOM 0 HG11 VAL A 14 41.020 4.035 -25.797 1.00 14.44 H new ATOM 0 HG12 VAL A 14 39.571 5.055 -25.954 1.00 14.44 H new ATOM 0 HG13 VAL A 14 41.173 5.807 -25.767 1.00 14.44 H new ATOM 0 HG21 VAL A 14 42.174 3.832 -23.620 1.00 35.45 H new ATOM 0 HG22 VAL A 14 42.371 5.596 -23.504 1.00 35.45 H new ATOM 0 HG23 VAL A 14 41.562 4.703 -22.194 1.00 35.45 H new ATOM 105 N ASN A 15 40.233 8.006 -25.082 1.00 44.12 N ATOM 106 CA ASN A 15 40.969 9.148 -25.612 1.00 51.14 C ATOM 107 C ASN A 15 40.339 10.461 -25.154 1.00 31.14 C ATOM 108 O ASN A 15 41.005 11.495 -25.103 1.00 3.21 O ATOM 109 CB ASN A 15 41.006 9.093 -27.141 1.00 74.00 C ATOM 110 CG ASN A 15 42.198 9.833 -27.717 1.00 64.22 C ATOM 111 OD1 ASN A 15 42.291 11.056 -27.616 1.00 75.21 O ATOM 112 ND2 ASN A 15 43.117 9.091 -28.326 1.00 44.43 N ATOM 0 H ASN A 15 39.462 7.692 -25.671 1.00 44.12 H new ATOM 0 HA ASN A 15 41.988 9.101 -25.229 1.00 51.14 H new ATOM 0 HB2 ASN A 15 41.037 8.052 -27.464 1.00 74.00 H new ATOM 0 HB3 ASN A 15 40.087 9.523 -27.540 1.00 74.00 H new ATOM 0 HD21 ASN A 15 43.941 9.533 -28.733 1.00 44.43 H new ATOM 0 HD22 ASN A 15 42.998 8.080 -28.386 1.00 44.43 H new ATOM 119 N SER A 16 39.054 10.410 -24.824 1.00 74.15 N ATOM 120 CA SER A 16 38.333 11.596 -24.373 1.00 32.33 C ATOM 121 C SER A 16 38.488 11.786 -22.867 1.00 61.33 C ATOM 122 O SER A 16 38.816 12.875 -22.398 1.00 15.50 O ATOM 123 CB SER A 16 36.851 11.486 -24.736 1.00 74.24 C ATOM 124 OG SER A 16 36.109 12.557 -24.178 1.00 1.13 O ATOM 0 H SER A 16 38.489 9.561 -24.860 1.00 74.15 H new ATOM 0 HA SER A 16 38.759 12.464 -24.876 1.00 32.33 H new ATOM 0 HB2 SER A 16 36.738 11.487 -25.820 1.00 74.24 H new ATOM 0 HB3 SER A 16 36.454 10.537 -24.375 1.00 74.24 H new ATOM 0 HG SER A 16 35.165 12.465 -24.425 1.00 1.13 H new ATOM 130 N VAL A 17 38.248 10.716 -22.114 1.00 11.24 N ATOM 131 CA VAL A 17 38.361 10.763 -20.661 1.00 3.12 C ATOM 132 C VAL A 17 39.805 10.995 -20.229 1.00 45.20 C ATOM 133 O VAL A 17 40.072 11.766 -19.307 1.00 10.14 O ATOM 134 CB VAL A 17 37.845 9.463 -20.016 1.00 15.11 C ATOM 135 CG1 VAL A 17 38.228 9.409 -18.545 1.00 44.45 C ATOM 136 CG2 VAL A 17 36.340 9.343 -20.189 1.00 41.32 C ATOM 0 H VAL A 17 37.974 9.807 -22.487 1.00 11.24 H new ATOM 0 HA VAL A 17 37.746 11.597 -20.322 1.00 3.12 H new ATOM 0 HB VAL A 17 38.313 8.617 -20.520 1.00 15.11 H new ATOM 0 HG11 VAL A 17 37.855 8.484 -18.106 1.00 44.45 H new ATOM 0 HG12 VAL A 17 39.313 9.444 -18.450 1.00 44.45 H new ATOM 0 HG13 VAL A 17 37.790 10.260 -18.024 1.00 44.45 H new ATOM 0 HG21 VAL A 17 35.993 8.419 -19.727 1.00 41.32 H new ATOM 0 HG22 VAL A 17 35.850 10.192 -19.713 1.00 41.32 H new ATOM 0 HG23 VAL A 17 36.096 9.332 -21.251 1.00 41.32 H new ATOM 146 N LEU A 18 40.732 10.323 -20.902 1.00 41.00 N ATOM 147 CA LEU A 18 42.151 10.456 -20.588 1.00 1.22 C ATOM 148 C LEU A 18 42.650 11.861 -20.909 1.00 71.51 C ATOM 149 O LEU A 18 43.436 12.439 -20.157 1.00 14.20 O ATOM 150 CB LEU A 18 42.965 9.423 -21.370 1.00 71.21 C ATOM 151 CG LEU A 18 44.463 9.383 -21.071 1.00 15.34 C ATOM 152 CD1 LEU A 18 44.738 8.561 -19.821 1.00 24.23 C ATOM 153 CD2 LEU A 18 45.230 8.822 -22.260 1.00 11.51 C ATOM 0 H LEU A 18 40.528 9.681 -21.668 1.00 41.00 H new ATOM 0 HA LEU A 18 42.280 10.279 -19.520 1.00 1.22 H new ATOM 0 HB2 LEU A 18 42.549 8.436 -21.171 1.00 71.21 H new ATOM 0 HB3 LEU A 18 42.832 9.616 -22.435 1.00 71.21 H new ATOM 0 HG LEU A 18 44.804 10.403 -20.892 1.00 15.34 H new ATOM 0 HD11 LEU A 18 45.810 8.545 -19.625 1.00 24.23 H new ATOM 0 HD12 LEU A 18 44.221 9.007 -18.971 1.00 24.23 H new ATOM 0 HD13 LEU A 18 44.381 7.542 -19.970 1.00 24.23 H new ATOM 0 HD21 LEU A 18 46.295 8.801 -22.029 1.00 11.51 H new ATOM 0 HD22 LEU A 18 44.885 7.810 -22.471 1.00 11.51 H new ATOM 0 HD23 LEU A 18 45.060 9.453 -23.133 1.00 11.51 H new ATOM 165 N LEU A 19 42.188 12.406 -22.029 1.00 75.01 N ATOM 166 CA LEU A 19 42.586 13.746 -22.448 1.00 30.14 C ATOM 167 C LEU A 19 41.914 14.808 -21.586 1.00 55.50 C ATOM 168 O LEU A 19 42.554 15.769 -21.155 1.00 23.12 O ATOM 169 CB LEU A 19 42.230 13.967 -23.920 1.00 41.31 C ATOM 170 CG LEU A 19 43.200 13.374 -24.942 1.00 54.43 C ATOM 171 CD1 LEU A 19 42.711 13.636 -26.357 1.00 3.13 C ATOM 172 CD2 LEU A 19 44.598 13.944 -24.745 1.00 61.24 C ATOM 0 H LEU A 19 41.538 11.941 -22.663 1.00 75.01 H new ATOM 0 HA LEU A 19 43.665 13.834 -22.324 1.00 30.14 H new ATOM 0 HB2 LEU A 19 41.241 13.546 -24.101 1.00 41.31 H new ATOM 0 HB3 LEU A 19 42.157 15.040 -24.098 1.00 41.31 H new ATOM 0 HG LEU A 19 43.244 12.296 -24.788 1.00 54.43 H new ATOM 0 HD11 LEU A 19 43.414 13.207 -27.070 1.00 3.13 H new ATOM 0 HD12 LEU A 19 41.731 13.179 -26.494 1.00 3.13 H new ATOM 0 HD13 LEU A 19 42.637 14.711 -26.523 1.00 3.13 H new ATOM 0 HD21 LEU A 19 45.275 13.510 -25.481 1.00 61.24 H new ATOM 0 HD22 LEU A 19 44.571 15.026 -24.870 1.00 61.24 H new ATOM 0 HD23 LEU A 19 44.951 13.704 -23.742 1.00 61.24 H new ATOM 184 N PHE A 20 40.622 14.629 -21.333 1.00 44.40 N ATOM 185 CA PHE A 20 39.863 15.572 -20.520 1.00 12.25 C ATOM 186 C PHE A 20 40.580 15.851 -19.202 1.00 44.15 C ATOM 187 O PHE A 20 40.526 16.964 -18.677 1.00 41.34 O ATOM 188 CB PHE A 20 38.459 15.029 -20.247 1.00 75.21 C ATOM 189 CG PHE A 20 37.519 16.054 -19.680 1.00 33.52 C ATOM 190 CD1 PHE A 20 37.668 16.505 -18.379 1.00 55.11 C ATOM 191 CD2 PHE A 20 36.487 16.566 -20.449 1.00 11.11 C ATOM 192 CE1 PHE A 20 36.805 17.448 -17.854 1.00 10.54 C ATOM 193 CE2 PHE A 20 35.621 17.510 -19.931 1.00 52.25 C ATOM 194 CZ PHE A 20 35.780 17.951 -18.631 1.00 43.13 C ATOM 0 H PHE A 20 40.078 13.839 -21.680 1.00 44.40 H new ATOM 0 HA PHE A 20 39.780 16.507 -21.073 1.00 12.25 H new ATOM 0 HB2 PHE A 20 38.042 14.640 -21.176 1.00 75.21 H new ATOM 0 HB3 PHE A 20 38.531 14.191 -19.554 1.00 75.21 H new ATOM 0 HD1 PHE A 20 38.468 16.115 -17.767 1.00 55.11 H new ATOM 0 HD2 PHE A 20 36.358 16.223 -21.465 1.00 11.11 H new ATOM 0 HE1 PHE A 20 36.932 17.791 -16.838 1.00 10.54 H new ATOM 0 HE2 PHE A 20 34.821 17.903 -20.541 1.00 52.25 H new ATOM 0 HZ PHE A 20 35.104 18.688 -18.223 1.00 43.13 H new ATOM 204 N LEU A 21 41.248 14.834 -18.672 1.00 31.31 N ATOM 205 CA LEU A 21 41.975 14.968 -17.414 1.00 44.12 C ATOM 206 C LEU A 21 43.173 15.897 -17.574 1.00 53.11 C ATOM 207 O LEU A 21 43.309 16.882 -16.849 1.00 24.02 O ATOM 208 CB LEU A 21 42.440 13.596 -16.923 1.00 52.14 C ATOM 209 CG LEU A 21 41.581 12.945 -15.837 1.00 22.21 C ATOM 210 CD1 LEU A 21 40.553 12.011 -16.458 1.00 34.44 C ATOM 211 CD2 LEU A 21 42.456 12.194 -14.845 1.00 63.14 C ATOM 0 H LEU A 21 41.302 13.907 -19.093 1.00 31.31 H new ATOM 0 HA LEU A 21 41.300 15.401 -16.676 1.00 44.12 H new ATOM 0 HB2 LEU A 21 42.482 12.921 -17.778 1.00 52.14 H new ATOM 0 HB3 LEU A 21 43.457 13.694 -16.544 1.00 52.14 H new ATOM 0 HG LEU A 21 41.050 13.731 -15.300 1.00 22.21 H new ATOM 0 HD11 LEU A 21 39.951 11.557 -15.671 1.00 34.44 H new ATOM 0 HD12 LEU A 21 39.906 12.576 -17.129 1.00 34.44 H new ATOM 0 HD13 LEU A 21 41.064 11.229 -17.020 1.00 34.44 H new ATOM 0 HD21 LEU A 21 41.829 11.737 -14.080 1.00 63.14 H new ATOM 0 HD22 LEU A 21 43.014 11.417 -15.368 1.00 63.14 H new ATOM 0 HD23 LEU A 21 43.153 12.889 -14.376 1.00 63.14 H new ATOM 223 N ALA A 22 44.040 15.576 -18.529 1.00 55.11 N ATOM 224 CA ALA A 22 45.225 16.385 -18.787 1.00 35.01 C ATOM 225 C ALA A 22 44.845 17.763 -19.318 1.00 51.14 C ATOM 226 O ALA A 22 45.640 18.702 -19.261 1.00 1.32 O ATOM 227 CB ALA A 22 46.145 15.674 -19.769 1.00 11.13 C ATOM 0 H ALA A 22 43.944 14.762 -19.136 1.00 55.11 H new ATOM 0 HA ALA A 22 45.754 16.522 -17.844 1.00 35.01 H new ATOM 0 HB1 ALA A 22 47.026 16.289 -19.953 1.00 11.13 H new ATOM 0 HB2 ALA A 22 46.452 14.715 -19.351 1.00 11.13 H new ATOM 0 HB3 ALA A 22 45.616 15.508 -20.708 1.00 11.13 H new ATOM 233 N PHE A 23 43.626 17.878 -19.833 1.00 71.43 N ATOM 234 CA PHE A 23 43.141 19.142 -20.375 1.00 65.33 C ATOM 235 C PHE A 23 42.747 20.099 -19.255 1.00 64.44 C ATOM 236 O PHE A 23 43.145 21.264 -19.249 1.00 61.53 O ATOM 237 CB PHE A 23 41.945 18.899 -21.299 1.00 22.12 C ATOM 238 CG PHE A 23 41.850 19.886 -22.427 1.00 1.33 C ATOM 239 CD1 PHE A 23 42.545 19.677 -23.607 1.00 11.44 C ATOM 240 CD2 PHE A 23 41.065 21.021 -22.308 1.00 50.32 C ATOM 241 CE1 PHE A 23 42.459 20.583 -24.648 1.00 11.35 C ATOM 242 CE2 PHE A 23 40.975 21.930 -23.345 1.00 11.01 C ATOM 243 CZ PHE A 23 41.674 21.712 -24.517 1.00 51.23 C ATOM 0 H PHE A 23 42.955 17.111 -19.887 1.00 71.43 H new ATOM 0 HA PHE A 23 43.949 19.596 -20.949 1.00 65.33 H new ATOM 0 HB2 PHE A 23 42.013 17.893 -21.712 1.00 22.12 H new ATOM 0 HB3 PHE A 23 41.028 18.941 -20.712 1.00 22.12 H new ATOM 0 HD1 PHE A 23 43.161 18.796 -23.715 1.00 11.44 H new ATOM 0 HD2 PHE A 23 40.517 21.198 -21.394 1.00 50.32 H new ATOM 0 HE1 PHE A 23 43.005 20.408 -25.563 1.00 11.35 H new ATOM 0 HE2 PHE A 23 40.359 22.811 -23.240 1.00 11.01 H new ATOM 0 HZ PHE A 23 41.607 22.422 -25.328 1.00 51.23 H new ATOM 253 N VAL A 24 41.960 19.599 -18.306 1.00 2.13 N ATOM 254 CA VAL A 24 41.511 20.408 -17.180 1.00 72.32 C ATOM 255 C VAL A 24 42.684 21.111 -16.506 1.00 13.02 C ATOM 256 O VAL A 24 42.710 22.337 -16.401 1.00 34.00 O ATOM 257 CB VAL A 24 40.770 19.553 -16.134 1.00 32.24 C ATOM 258 CG1 VAL A 24 40.380 20.399 -14.932 1.00 11.01 C ATOM 259 CG2 VAL A 24 39.547 18.897 -16.754 1.00 24.42 C ATOM 0 H VAL A 24 41.621 18.637 -18.296 1.00 2.13 H new ATOM 0 HA VAL A 24 40.825 21.154 -17.581 1.00 72.32 H new ATOM 0 HB VAL A 24 41.442 18.766 -15.791 1.00 32.24 H new ATOM 0 HG11 VAL A 24 39.858 19.778 -14.204 1.00 11.01 H new ATOM 0 HG12 VAL A 24 41.277 20.817 -14.475 1.00 11.01 H new ATOM 0 HG13 VAL A 24 39.725 21.209 -15.254 1.00 11.01 H new ATOM 0 HG21 VAL A 24 39.035 18.297 -16.002 1.00 24.42 H new ATOM 0 HG22 VAL A 24 38.871 19.667 -17.126 1.00 24.42 H new ATOM 0 HG23 VAL A 24 39.857 18.256 -17.580 1.00 24.42 H new ATOM 269 N VAL A 25 43.656 20.325 -16.051 1.00 1.31 N ATOM 270 CA VAL A 25 44.834 20.872 -15.389 1.00 22.42 C ATOM 271 C VAL A 25 45.457 21.994 -16.213 1.00 64.41 C ATOM 272 O VAL A 25 45.860 23.024 -15.674 1.00 40.44 O ATOM 273 CB VAL A 25 45.894 19.783 -15.140 1.00 62.53 C ATOM 274 CG1 VAL A 25 45.432 18.826 -14.051 1.00 10.20 C ATOM 275 CG2 VAL A 25 46.197 19.030 -16.427 1.00 12.52 C ATOM 0 H VAL A 25 43.650 19.308 -16.129 1.00 1.31 H new ATOM 0 HA VAL A 25 44.502 21.271 -14.431 1.00 22.42 H new ATOM 0 HB VAL A 25 46.811 20.265 -14.802 1.00 62.53 H new ATOM 0 HG11 VAL A 25 46.194 18.064 -13.889 1.00 10.20 H new ATOM 0 HG12 VAL A 25 45.270 19.379 -13.126 1.00 10.20 H new ATOM 0 HG13 VAL A 25 44.501 18.349 -14.357 1.00 10.20 H new ATOM 0 HG21 VAL A 25 46.948 18.264 -16.232 1.00 12.52 H new ATOM 0 HG22 VAL A 25 45.286 18.559 -16.796 1.00 12.52 H new ATOM 0 HG23 VAL A 25 46.574 19.726 -17.176 1.00 12.52 H new ATOM 285 N PHE A 26 45.534 21.785 -17.523 1.00 1.52 N ATOM 286 CA PHE A 26 46.108 22.778 -18.423 1.00 15.32 C ATOM 287 C PHE A 26 45.252 24.040 -18.458 1.00 43.11 C ATOM 288 O PHE A 26 45.769 25.158 -18.425 1.00 71.24 O ATOM 289 CB PHE A 26 46.245 22.201 -19.834 1.00 54.34 C ATOM 290 CG PHE A 26 47.652 21.807 -20.186 1.00 51.23 C ATOM 291 CD1 PHE A 26 48.176 20.600 -19.753 1.00 5.13 C ATOM 292 CD2 PHE A 26 48.449 22.644 -20.949 1.00 44.01 C ATOM 293 CE1 PHE A 26 49.469 20.236 -20.075 1.00 24.41 C ATOM 294 CE2 PHE A 26 49.743 22.284 -21.276 1.00 41.54 C ATOM 295 CZ PHE A 26 50.253 21.079 -20.839 1.00 72.43 C ATOM 0 H PHE A 26 45.206 20.937 -17.985 1.00 1.52 H new ATOM 0 HA PHE A 26 47.097 23.042 -18.049 1.00 15.32 H new ATOM 0 HB2 PHE A 26 45.598 21.329 -19.926 1.00 54.34 H new ATOM 0 HB3 PHE A 26 45.891 22.938 -20.555 1.00 54.34 H new ATOM 0 HD1 PHE A 26 47.567 19.936 -19.157 1.00 5.13 H new ATOM 0 HD2 PHE A 26 48.055 23.589 -21.293 1.00 44.01 H new ATOM 0 HE1 PHE A 26 49.867 19.293 -19.730 1.00 24.41 H new ATOM 0 HE2 PHE A 26 50.354 22.945 -21.873 1.00 41.54 H new ATOM 0 HZ PHE A 26 51.263 20.795 -21.094 1.00 72.43 H new ATOM 305 N LEU A 27 43.938 23.855 -18.528 1.00 74.42 N ATOM 306 CA LEU A 27 43.007 24.977 -18.568 1.00 72.21 C ATOM 307 C LEU A 27 43.017 25.740 -17.248 1.00 11.10 C ATOM 308 O LEU A 27 42.848 26.960 -17.223 1.00 15.44 O ATOM 309 CB LEU A 27 41.593 24.482 -18.875 1.00 74.14 C ATOM 310 CG LEU A 27 41.388 23.841 -20.248 1.00 15.34 C ATOM 311 CD1 LEU A 27 39.917 23.535 -20.480 1.00 31.10 C ATOM 312 CD2 LEU A 27 41.926 24.749 -21.345 1.00 64.24 C ATOM 0 H LEU A 27 43.493 22.938 -18.558 1.00 74.42 H new ATOM 0 HA LEU A 27 43.327 25.654 -19.360 1.00 72.21 H new ATOM 0 HB2 LEU A 27 41.310 23.757 -18.112 1.00 74.14 H new ATOM 0 HB3 LEU A 27 40.907 25.324 -18.784 1.00 74.14 H new ATOM 0 HG LEU A 27 41.941 22.902 -20.276 1.00 15.34 H new ATOM 0 HD11 LEU A 27 39.791 23.079 -21.462 1.00 31.10 H new ATOM 0 HD12 LEU A 27 39.563 22.847 -19.712 1.00 31.10 H new ATOM 0 HD13 LEU A 27 39.341 24.459 -20.432 1.00 31.10 H new ATOM 0 HD21 LEU A 27 41.772 24.278 -22.316 1.00 64.24 H new ATOM 0 HD22 LEU A 27 41.400 25.703 -21.318 1.00 64.24 H new ATOM 0 HD23 LEU A 27 42.991 24.917 -21.188 1.00 64.24 H new ATOM 324 N LEU A 28 43.216 25.016 -16.153 1.00 73.41 N ATOM 325 CA LEU A 28 43.249 25.625 -14.827 1.00 33.55 C ATOM 326 C LEU A 28 44.203 26.815 -14.800 1.00 74.35 C ATOM 327 O LEU A 28 43.821 27.921 -14.418 1.00 42.20 O ATOM 328 CB LEU A 28 43.673 24.592 -13.781 1.00 11.23 C ATOM 329 CG LEU A 28 42.609 23.571 -13.377 1.00 54.15 C ATOM 330 CD1 LEU A 28 43.158 22.616 -12.328 1.00 22.13 C ATOM 331 CD2 LEU A 28 41.364 24.276 -12.859 1.00 1.20 C ATOM 0 H LEU A 28 43.357 24.006 -16.156 1.00 73.41 H new ATOM 0 HA LEU A 28 42.246 25.981 -14.591 1.00 33.55 H new ATOM 0 HB2 LEU A 28 44.540 24.052 -14.163 1.00 11.23 H new ATOM 0 HB3 LEU A 28 43.997 25.123 -12.886 1.00 11.23 H new ATOM 0 HG LEU A 28 42.334 22.992 -14.259 1.00 54.15 H new ATOM 0 HD11 LEU A 28 42.387 21.896 -12.052 1.00 22.13 H new ATOM 0 HD12 LEU A 28 44.020 22.087 -12.734 1.00 22.13 H new ATOM 0 HD13 LEU A 28 43.460 23.180 -11.445 1.00 22.13 H new ATOM 0 HD21 LEU A 28 40.617 23.534 -12.576 1.00 1.20 H new ATOM 0 HD22 LEU A 28 41.623 24.880 -11.989 1.00 1.20 H new ATOM 0 HD23 LEU A 28 40.959 24.919 -13.640 1.00 1.20 H new ATOM 343 N VAL A 29 45.447 26.581 -15.208 1.00 63.14 N ATOM 344 CA VAL A 29 46.454 27.634 -15.233 1.00 70.40 C ATOM 345 C VAL A 29 46.351 28.463 -16.508 1.00 51.14 C ATOM 346 O VAL A 29 46.355 29.694 -16.464 1.00 45.30 O ATOM 347 CB VAL A 29 47.876 27.052 -15.127 1.00 12.41 C ATOM 348 CG1 VAL A 29 48.135 26.063 -16.253 1.00 52.21 C ATOM 349 CG2 VAL A 29 48.910 28.168 -15.138 1.00 40.02 C ATOM 0 H VAL A 29 45.781 25.671 -15.526 1.00 63.14 H new ATOM 0 HA VAL A 29 46.265 28.273 -14.371 1.00 70.40 H new ATOM 0 HB VAL A 29 47.961 26.518 -14.181 1.00 12.41 H new ATOM 0 HG11 VAL A 29 49.145 25.663 -16.161 1.00 52.21 H new ATOM 0 HG12 VAL A 29 47.415 25.247 -16.194 1.00 52.21 H new ATOM 0 HG13 VAL A 29 48.032 26.569 -17.213 1.00 52.21 H new ATOM 0 HG21 VAL A 29 49.909 27.739 -15.062 1.00 40.02 H new ATOM 0 HG22 VAL A 29 48.827 28.732 -16.067 1.00 40.02 H new ATOM 0 HG23 VAL A 29 48.736 28.834 -14.293 1.00 40.02 H new ATOM 359 N THR A 30 46.257 27.781 -17.646 1.00 32.21 N ATOM 360 CA THR A 30 46.152 28.455 -18.934 1.00 33.03 C ATOM 361 C THR A 30 45.088 29.544 -18.900 1.00 44.14 C ATOM 362 O THR A 30 45.201 30.559 -19.589 1.00 42.24 O ATOM 363 CB THR A 30 45.819 27.461 -20.062 1.00 31.40 C ATOM 364 OG1 THR A 30 46.922 26.573 -20.275 1.00 21.01 O ATOM 365 CG2 THR A 30 45.496 28.196 -21.353 1.00 21.32 C ATOM 0 H THR A 30 46.251 26.763 -17.701 1.00 32.21 H new ATOM 0 HA THR A 30 47.123 28.908 -19.134 1.00 33.03 H new ATOM 0 HB THR A 30 44.943 26.885 -19.762 1.00 31.40 H new ATOM 0 HG1 THR A 30 46.762 25.732 -19.798 1.00 21.01 H new ATOM 0 HG21 THR A 30 45.264 27.473 -22.135 1.00 21.32 H new ATOM 0 HG22 THR A 30 44.637 28.848 -21.195 1.00 21.32 H new ATOM 0 HG23 THR A 30 46.355 28.795 -21.656 1.00 21.32 H new ATOM 373 N LEU A 31 44.053 29.329 -18.095 1.00 14.42 N ATOM 374 CA LEU A 31 42.966 30.294 -17.971 1.00 52.11 C ATOM 375 C LEU A 31 43.475 31.617 -17.407 1.00 64.24 C ATOM 376 O LEU A 31 43.505 32.630 -18.105 1.00 44.51 O ATOM 377 CB LEU A 31 41.861 29.735 -17.072 1.00 4.43 C ATOM 378 CG LEU A 31 40.697 29.050 -17.789 1.00 21.32 C ATOM 379 CD1 LEU A 31 39.627 28.634 -16.791 1.00 61.42 C ATOM 380 CD2 LEU A 31 40.110 29.968 -18.851 1.00 65.21 C ATOM 0 H LEU A 31 43.944 28.495 -17.518 1.00 14.42 H new ATOM 0 HA LEU A 31 42.559 30.476 -18.966 1.00 52.11 H new ATOM 0 HB2 LEU A 31 42.308 29.020 -16.382 1.00 4.43 H new ATOM 0 HB3 LEU A 31 41.461 30.551 -16.470 1.00 4.43 H new ATOM 0 HG LEU A 31 41.075 28.154 -18.281 1.00 21.32 H new ATOM 0 HD11 LEU A 31 38.806 28.148 -17.319 1.00 61.42 H new ATOM 0 HD12 LEU A 31 40.054 27.940 -16.067 1.00 61.42 H new ATOM 0 HD13 LEU A 31 39.252 29.515 -16.271 1.00 61.42 H new ATOM 0 HD21 LEU A 31 39.283 29.464 -19.351 1.00 65.21 H new ATOM 0 HD22 LEU A 31 39.747 30.882 -18.381 1.00 65.21 H new ATOM 0 HD23 LEU A 31 40.879 30.216 -19.583 1.00 65.21 H new ATOM 392 N ALA A 32 43.876 31.599 -16.139 1.00 4.24 N ATOM 393 CA ALA A 32 44.387 32.796 -15.483 1.00 63.11 C ATOM 394 C ALA A 32 45.258 33.612 -16.431 1.00 15.34 C ATOM 395 O ALA A 32 45.169 34.840 -16.471 1.00 75.44 O ATOM 396 CB ALA A 32 45.171 32.419 -14.235 1.00 65.22 C ATOM 0 H ALA A 32 43.857 30.769 -15.547 1.00 4.24 H new ATOM 0 HA ALA A 32 43.536 33.413 -15.192 1.00 63.11 H new ATOM 0 HB1 ALA A 32 45.547 33.322 -13.755 1.00 65.22 H new ATOM 0 HB2 ALA A 32 44.519 31.885 -13.544 1.00 65.22 H new ATOM 0 HB3 ALA A 32 46.009 31.779 -14.511 1.00 65.22 H new ATOM 402 N ILE A 33 46.101 32.923 -17.194 1.00 2.21 N ATOM 403 CA ILE A 33 46.989 33.585 -18.142 1.00 63.15 C ATOM 404 C ILE A 33 46.241 34.640 -18.950 1.00 51.12 C ATOM 405 O ILE A 33 46.660 35.797 -19.019 1.00 43.04 O ATOM 406 CB ILE A 33 47.633 32.575 -19.109 1.00 21.11 C ATOM 407 CG1 ILE A 33 48.334 31.462 -18.327 1.00 11.53 C ATOM 408 CG2 ILE A 33 48.614 33.279 -20.034 1.00 0.53 C ATOM 409 CD1 ILE A 33 49.278 30.633 -19.170 1.00 0.45 C ATOM 0 H ILE A 33 46.187 31.907 -17.174 1.00 2.21 H new ATOM 0 HA ILE A 33 47.773 34.066 -17.558 1.00 63.15 H new ATOM 0 HB ILE A 33 46.848 32.126 -19.718 1.00 21.11 H new ATOM 0 HG12 ILE A 33 48.891 31.905 -17.501 1.00 11.53 H new ATOM 0 HG13 ILE A 33 47.581 30.807 -17.889 1.00 11.53 H new ATOM 0 HG21 ILE A 33 49.061 32.552 -20.712 1.00 0.53 H new ATOM 0 HG22 ILE A 33 48.088 34.038 -20.612 1.00 0.53 H new ATOM 0 HG23 ILE A 33 49.397 33.752 -19.442 1.00 0.53 H new ATOM 0 HD11 ILE A 33 49.739 29.864 -18.550 1.00 0.45 H new ATOM 0 HD12 ILE A 33 48.723 30.161 -19.981 1.00 0.45 H new ATOM 0 HD13 ILE A 33 50.053 31.276 -19.587 1.00 0.45 H new ATOM 421 N LEU A 34 45.133 34.235 -19.559 1.00 23.45 N ATOM 422 CA LEU A 34 44.324 35.146 -20.362 1.00 13.54 C ATOM 423 C LEU A 34 44.057 36.445 -19.608 1.00 64.11 C ATOM 424 O LEU A 34 43.863 37.500 -20.214 1.00 61.41 O ATOM 425 CB LEU A 34 43.000 34.482 -20.745 1.00 51.35 C ATOM 426 CG LEU A 34 42.387 34.923 -22.074 1.00 23.43 C ATOM 427 CD1 LEU A 34 41.319 33.938 -22.522 1.00 12.21 C ATOM 428 CD2 LEU A 34 41.807 36.325 -21.956 1.00 14.05 C ATOM 0 H LEU A 34 44.773 33.282 -19.513 1.00 23.45 H new ATOM 0 HA LEU A 34 44.879 35.382 -21.270 1.00 13.54 H new ATOM 0 HB2 LEU A 34 43.154 33.404 -20.779 1.00 51.35 H new ATOM 0 HB3 LEU A 34 42.277 34.676 -19.953 1.00 51.35 H new ATOM 0 HG LEU A 34 43.175 34.940 -22.827 1.00 23.43 H new ATOM 0 HD11 LEU A 34 40.894 34.268 -23.470 1.00 12.21 H new ATOM 0 HD12 LEU A 34 41.764 32.951 -22.648 1.00 12.21 H new ATOM 0 HD13 LEU A 34 40.532 33.887 -21.769 1.00 12.21 H new ATOM 0 HD21 LEU A 34 41.375 36.622 -22.912 1.00 14.05 H new ATOM 0 HD22 LEU A 34 41.032 36.335 -21.189 1.00 14.05 H new ATOM 0 HD23 LEU A 34 42.597 37.024 -21.682 1.00 14.05 H new ATOM 440 N THR A 35 44.048 36.362 -18.282 1.00 75.04 N ATOM 441 CA THR A 35 43.806 37.530 -17.445 1.00 53.33 C ATOM 442 C THR A 35 44.864 38.602 -17.676 1.00 53.32 C ATOM 443 O THR A 35 44.551 39.789 -17.762 1.00 40.44 O ATOM 444 CB THR A 35 43.789 37.156 -15.951 1.00 53.55 C ATOM 445 OG1 THR A 35 42.972 35.998 -15.744 1.00 11.12 O ATOM 446 CG2 THR A 35 43.263 38.310 -15.110 1.00 71.31 C ATOM 0 H THR A 35 44.206 35.497 -17.764 1.00 75.04 H new ATOM 0 HA THR A 35 42.829 37.922 -17.726 1.00 53.33 H new ATOM 0 HB THR A 35 44.812 36.938 -15.643 1.00 53.55 H new ATOM 0 HG1 THR A 35 43.434 35.206 -16.089 1.00 11.12 H new ATOM 0 HG21 THR A 35 43.260 38.022 -14.059 1.00 71.31 H new ATOM 0 HG22 THR A 35 43.904 39.181 -15.246 1.00 71.31 H new ATOM 0 HG23 THR A 35 42.248 38.554 -15.422 1.00 71.31 H new ATOM 454 N ALA A 36 46.119 38.176 -17.778 1.00 70.40 N ATOM 455 CA ALA A 36 47.224 39.100 -18.003 1.00 54.13 C ATOM 456 C ALA A 36 46.893 40.092 -19.113 1.00 71.33 C ATOM 457 O ALA A 36 47.327 41.243 -19.081 1.00 55.51 O ATOM 458 CB ALA A 36 48.494 38.333 -18.339 1.00 62.42 C ATOM 0 H ALA A 36 46.396 37.197 -17.708 1.00 70.40 H new ATOM 0 HA ALA A 36 47.386 39.664 -17.084 1.00 54.13 H new ATOM 0 HB1 ALA A 36 49.311 39.036 -18.504 1.00 62.42 H new ATOM 0 HB2 ALA A 36 48.748 37.670 -17.512 1.00 62.42 H new ATOM 0 HB3 ALA A 36 48.335 37.743 -19.242 1.00 62.42 H new ATOM 464 N LEU A 37 46.123 39.637 -20.095 1.00 42.11 N ATOM 465 CA LEU A 37 45.733 40.484 -21.217 1.00 72.02 C ATOM 466 C LEU A 37 44.703 41.523 -20.783 1.00 24.44 C ATOM 467 O LEU A 37 44.811 42.700 -21.128 1.00 53.23 O ATOM 468 CB LEU A 37 45.168 39.631 -22.354 1.00 52.43 C ATOM 469 CG LEU A 37 46.195 38.925 -23.239 1.00 71.24 C ATOM 470 CD1 LEU A 37 47.147 39.934 -23.862 1.00 41.53 C ATOM 471 CD2 LEU A 37 46.967 37.887 -22.435 1.00 11.52 C ATOM 0 H LEU A 37 45.756 38.686 -20.137 1.00 42.11 H new ATOM 0 HA LEU A 37 46.621 41.007 -21.572 1.00 72.02 H new ATOM 0 HB2 LEU A 37 44.510 38.876 -21.923 1.00 52.43 H new ATOM 0 HB3 LEU A 37 44.550 40.268 -22.987 1.00 52.43 H new ATOM 0 HG LEU A 37 45.664 38.414 -24.042 1.00 71.24 H new ATOM 0 HD11 LEU A 37 47.871 39.413 -24.488 1.00 41.53 H new ATOM 0 HD12 LEU A 37 46.582 40.640 -24.471 1.00 41.53 H new ATOM 0 HD13 LEU A 37 47.672 40.474 -23.074 1.00 41.53 H new ATOM 0 HD21 LEU A 37 47.694 37.394 -23.080 1.00 11.52 H new ATOM 0 HD22 LEU A 37 47.486 38.377 -21.612 1.00 11.52 H new ATOM 0 HD23 LEU A 37 46.274 37.146 -22.037 1.00 11.52 H new ATOM 483 N ARG A 38 43.706 41.079 -20.025 1.00 23.31 N ATOM 484 CA ARG A 38 42.657 41.969 -19.544 1.00 43.52 C ATOM 485 C ARG A 38 43.256 43.205 -18.880 1.00 55.05 C ATOM 486 O ARG A 38 42.963 44.337 -19.270 1.00 33.43 O ATOM 487 CB ARG A 38 41.749 41.235 -18.555 1.00 11.43 C ATOM 488 CG ARG A 38 40.280 41.600 -18.692 1.00 63.24 C ATOM 489 CD ARG A 38 39.629 40.866 -19.853 1.00 61.11 C ATOM 490 NE ARG A 38 39.093 39.569 -19.450 1.00 53.24 N ATOM 491 CZ ARG A 38 38.385 38.784 -20.254 1.00 43.10 C ATOM 492 NH1 ARG A 38 38.130 39.162 -21.499 1.00 64.23 N ATOM 493 NH2 ARG A 38 37.930 37.617 -19.814 1.00 41.22 N ATOM 0 H ARG A 38 43.603 40.108 -19.731 1.00 23.31 H new ATOM 0 HA ARG A 38 42.065 42.289 -20.401 1.00 43.52 H new ATOM 0 HB2 ARG A 38 41.863 40.161 -18.699 1.00 11.43 H new ATOM 0 HB3 ARG A 38 42.077 41.457 -17.540 1.00 11.43 H new ATOM 0 HG2 ARG A 38 39.756 41.358 -17.767 1.00 63.24 H new ATOM 0 HG3 ARG A 38 40.184 42.676 -18.840 1.00 63.24 H new ATOM 0 HD2 ARG A 38 38.826 41.478 -20.264 1.00 61.11 H new ATOM 0 HD3 ARG A 38 40.361 40.724 -20.648 1.00 61.11 H new ATOM 0 HE ARG A 38 39.272 39.248 -18.499 1.00 53.24 H new ATOM 0 HH11 ARG A 38 38.478 40.058 -21.841 1.00 64.23 H new ATOM 0 HH12 ARG A 38 37.586 38.557 -22.114 1.00 64.23 H new ATOM 0 HH21 ARG A 38 38.124 37.322 -18.857 1.00 41.22 H new ATOM 0 HH22 ARG A 38 37.386 37.015 -20.433 1.00 41.22 H new ATOM 507 N LEU A 39 44.095 42.982 -17.875 1.00 14.22 N ATOM 508 CA LEU A 39 44.736 44.078 -17.155 1.00 72.24 C ATOM 509 C LEU A 39 45.378 45.065 -18.125 1.00 64.45 C ATOM 510 O LEU A 39 45.407 46.268 -17.872 1.00 53.42 O ATOM 511 CB LEU A 39 45.791 43.533 -16.191 1.00 44.10 C ATOM 512 CG LEU A 39 45.428 42.241 -15.459 1.00 41.55 C ATOM 513 CD1 LEU A 39 46.439 41.946 -14.362 1.00 14.30 C ATOM 514 CD2 LEU A 39 44.023 42.332 -14.880 1.00 5.42 C ATOM 0 H LEU A 39 44.348 42.052 -17.540 1.00 14.22 H new ATOM 0 HA LEU A 39 43.969 44.603 -16.585 1.00 72.24 H new ATOM 0 HB2 LEU A 39 46.712 43.364 -16.749 1.00 44.10 H new ATOM 0 HB3 LEU A 39 46.006 44.300 -15.447 1.00 44.10 H new ATOM 0 HG LEU A 39 45.452 41.421 -16.177 1.00 41.55 H new ATOM 0 HD11 LEU A 39 46.164 41.023 -13.852 1.00 14.30 H new ATOM 0 HD12 LEU A 39 47.431 41.836 -14.801 1.00 14.30 H new ATOM 0 HD13 LEU A 39 46.448 42.767 -13.645 1.00 14.30 H new ATOM 0 HD21 LEU A 39 43.782 41.403 -14.363 1.00 5.42 H new ATOM 0 HD22 LEU A 39 43.973 43.163 -14.176 1.00 5.42 H new ATOM 0 HD23 LEU A 39 43.307 42.495 -15.686 1.00 5.42 H new ATOM 526 N ALA A 40 45.889 44.546 -19.237 1.00 75.32 N ATOM 527 CA ALA A 40 46.526 45.382 -20.246 1.00 22.20 C ATOM 528 C ALA A 40 45.569 46.453 -20.756 1.00 3.03 C ATOM 529 O ALA A 40 45.988 47.554 -21.114 1.00 65.33 O ATOM 530 CB ALA A 40 47.027 44.526 -21.401 1.00 40.33 C ATOM 0 H ALA A 40 45.874 43.551 -19.461 1.00 75.32 H new ATOM 0 HA ALA A 40 47.376 45.883 -19.783 1.00 22.20 H new ATOM 0 HB1 ALA A 40 47.501 45.163 -22.148 1.00 40.33 H new ATOM 0 HB2 ALA A 40 47.752 43.802 -21.029 1.00 40.33 H new ATOM 0 HB3 ALA A 40 46.187 43.999 -21.854 1.00 40.33 H new ATOM 536 N ALA A 41 44.282 46.124 -20.789 1.00 72.33 N ATOM 537 CA ALA A 41 43.265 47.058 -21.253 1.00 3.25 C ATOM 538 C ALA A 41 43.204 48.293 -20.361 1.00 52.13 C ATOM 539 O ALA A 41 43.095 49.419 -20.847 1.00 31.43 O ATOM 540 CB ALA A 41 41.905 46.376 -21.308 1.00 35.31 C ATOM 0 H ALA A 41 43.919 45.216 -20.499 1.00 72.33 H new ATOM 0 HA ALA A 41 43.537 47.381 -22.258 1.00 3.25 H new ATOM 0 HB1 ALA A 41 41.155 47.087 -21.656 1.00 35.31 H new ATOM 0 HB2 ALA A 41 41.950 45.530 -21.994 1.00 35.31 H new ATOM 0 HB3 ALA A 41 41.635 46.022 -20.313 1.00 35.31 H new ATOM 546 N TYR A 42 43.275 48.074 -19.052 1.00 44.55 N ATOM 547 CA TYR A 42 43.224 49.169 -18.090 1.00 20.22 C ATOM 548 C TYR A 42 44.464 50.050 -18.202 1.00 33.33 C ATOM 549 O TYR A 42 44.472 51.192 -17.744 1.00 3.23 O ATOM 550 CB TYR A 42 43.100 48.622 -16.668 1.00 60.53 C ATOM 551 CG TYR A 42 41.691 48.219 -16.293 1.00 2.44 C ATOM 552 CD1 TYR A 42 40.982 47.303 -17.060 1.00 2.52 C ATOM 553 CD2 TYR A 42 41.070 48.756 -15.173 1.00 73.43 C ATOM 554 CE1 TYR A 42 39.694 46.934 -16.724 1.00 55.43 C ATOM 555 CE2 TYR A 42 39.783 48.391 -14.826 1.00 11.23 C ATOM 556 CZ TYR A 42 39.100 47.481 -15.605 1.00 45.51 C ATOM 557 OH TYR A 42 37.818 47.114 -15.265 1.00 43.44 O ATOM 0 H TYR A 42 43.368 47.149 -18.633 1.00 44.55 H new ATOM 0 HA TYR A 42 42.347 49.776 -18.315 1.00 20.22 H new ATOM 0 HB2 TYR A 42 43.756 47.758 -16.562 1.00 60.53 H new ATOM 0 HB3 TYR A 42 43.452 49.378 -15.965 1.00 60.53 H new ATOM 0 HD1 TYR A 42 41.446 46.872 -17.935 1.00 2.52 H new ATOM 0 HD2 TYR A 42 41.602 49.471 -14.563 1.00 73.43 H new ATOM 0 HE1 TYR A 42 39.156 46.223 -17.333 1.00 55.43 H new ATOM 0 HE2 TYR A 42 39.315 48.816 -13.950 1.00 11.23 H new ATOM 0 HH TYR A 42 37.547 47.588 -14.451 1.00 43.44 H new ATOM 567 N ALA A 43 45.512 49.509 -18.816 1.00 52.31 N ATOM 568 CA ALA A 43 46.758 50.245 -18.991 1.00 72.14 C ATOM 569 C ALA A 43 46.526 51.545 -19.754 1.00 44.13 C ATOM 570 O ALA A 43 47.365 52.444 -19.737 1.00 34.22 O ATOM 571 CB ALA A 43 47.784 49.383 -19.712 1.00 21.10 C ATOM 0 H ALA A 43 45.522 48.564 -19.200 1.00 52.31 H new ATOM 0 HA ALA A 43 47.143 50.498 -18.003 1.00 72.14 H new ATOM 0 HB1 ALA A 43 48.709 49.946 -19.836 1.00 21.10 H new ATOM 0 HB2 ALA A 43 47.981 48.485 -19.126 1.00 21.10 H new ATOM 0 HB3 ALA A 43 47.398 49.100 -20.691 1.00 21.10 H new ATOM 577 N ALA A 44 45.381 51.635 -20.423 1.00 44.52 N ATOM 578 CA ALA A 44 45.038 52.826 -21.191 1.00 62.40 C ATOM 579 C ALA A 44 44.516 53.934 -20.283 1.00 32.13 C ATOM 580 O ALA A 44 44.341 55.072 -20.715 1.00 41.32 O ATOM 581 CB ALA A 44 44.007 52.487 -22.258 1.00 33.42 C ATOM 0 H ALA A 44 44.676 50.898 -20.449 1.00 44.52 H new ATOM 0 HA ALA A 44 45.944 53.187 -21.677 1.00 62.40 H new ATOM 0 HB1 ALA A 44 43.760 53.385 -22.824 1.00 33.42 H new ATOM 0 HB2 ALA A 44 44.415 51.734 -22.932 1.00 33.42 H new ATOM 0 HB3 ALA A 44 43.106 52.098 -21.783 1.00 33.42 H new ATOM 587 N ASN A 45 44.269 53.593 -19.022 1.00 62.20 N ATOM 588 CA ASN A 45 43.765 54.559 -18.053 1.00 42.10 C ATOM 589 C ASN A 45 44.871 54.996 -17.097 1.00 41.43 C ATOM 590 O ASN A 45 45.314 56.145 -17.129 1.00 14.04 O ATOM 591 CB ASN A 45 42.599 53.961 -17.264 1.00 60.22 C ATOM 592 CG ASN A 45 41.431 53.585 -18.154 1.00 24.12 C ATOM 593 OD1 ASN A 45 40.587 54.422 -18.477 1.00 12.13 O ATOM 594 ND2 ASN A 45 41.375 52.320 -18.554 1.00 20.42 N ATOM 0 H ASN A 45 44.410 52.655 -18.648 1.00 62.20 H new ATOM 0 HA ASN A 45 43.413 55.435 -18.598 1.00 42.10 H new ATOM 0 HB2 ASN A 45 42.943 53.077 -16.727 1.00 60.22 H new ATOM 0 HB3 ASN A 45 42.265 54.679 -16.515 1.00 60.22 H new ATOM 0 HD21 ASN A 45 40.611 52.008 -19.153 1.00 20.42 H new ATOM 0 HD22 ASN A 45 42.096 51.660 -18.262 1.00 20.42 H new ATOM 601 N ILE A 46 45.310 54.075 -16.248 1.00 24.50 N ATOM 602 CA ILE A 46 46.364 54.364 -15.284 1.00 63.41 C ATOM 603 C ILE A 46 47.546 53.417 -15.461 1.00 1.52 C ATOM 604 O ILE A 46 48.626 53.829 -15.885 1.00 11.10 O ATOM 605 CB ILE A 46 45.848 54.258 -13.837 1.00 75.13 C ATOM 606 CG1 ILE A 46 44.582 53.400 -13.785 1.00 22.32 C ATOM 607 CG2 ILE A 46 45.579 55.643 -13.267 1.00 63.32 C ATOM 608 CD1 ILE A 46 44.265 52.872 -12.403 1.00 31.35 C ATOM 0 H ILE A 46 44.952 53.121 -16.208 1.00 24.50 H new ATOM 0 HA ILE A 46 46.690 55.387 -15.471 1.00 63.41 H new ATOM 0 HB ILE A 46 46.615 53.779 -13.228 1.00 75.13 H new ATOM 0 HG12 ILE A 46 43.738 53.990 -14.142 1.00 22.32 H new ATOM 0 HG13 ILE A 46 44.695 52.559 -14.469 1.00 22.32 H new ATOM 0 HG21 ILE A 46 45.215 55.551 -12.244 1.00 63.32 H new ATOM 0 HG22 ILE A 46 46.501 56.224 -13.273 1.00 63.32 H new ATOM 0 HG23 ILE A 46 44.828 56.147 -13.875 1.00 63.32 H new ATOM 0 HD11 ILE A 46 43.355 52.273 -12.442 1.00 31.35 H new ATOM 0 HD12 ILE A 46 45.091 52.254 -12.051 1.00 31.35 H new ATOM 0 HD13 ILE A 46 44.120 53.708 -11.719 1.00 31.35 H new ATOM 620 N VAL A 47 47.334 52.147 -15.136 1.00 71.20 N ATOM 621 CA VAL A 47 48.380 51.140 -15.262 1.00 35.44 C ATOM 622 C VAL A 47 47.819 49.826 -15.794 1.00 33.02 C ATOM 623 O VAL A 47 46.611 49.682 -15.970 1.00 1.42 O ATOM 624 CB VAL A 47 49.074 50.879 -13.911 1.00 13.04 C ATOM 625 CG1 VAL A 47 48.342 49.795 -13.135 1.00 1.30 C ATOM 626 CG2 VAL A 47 50.532 50.501 -14.126 1.00 70.21 C ATOM 0 H VAL A 47 46.446 51.790 -14.783 1.00 71.20 H new ATOM 0 HA VAL A 47 49.111 51.532 -15.969 1.00 35.44 H new ATOM 0 HB VAL A 47 49.043 51.796 -13.323 1.00 13.04 H new ATOM 0 HG11 VAL A 47 48.847 49.625 -12.184 1.00 1.30 H new ATOM 0 HG12 VAL A 47 47.315 50.111 -12.950 1.00 1.30 H new ATOM 0 HG13 VAL A 47 48.339 48.872 -13.715 1.00 1.30 H new ATOM 0 HG21 VAL A 47 51.007 50.320 -13.162 1.00 70.21 H new ATOM 0 HG22 VAL A 47 50.588 49.597 -14.733 1.00 70.21 H new ATOM 0 HG23 VAL A 47 51.047 51.314 -14.637 1.00 70.21 H new ATOM 636 N ASN A 48 48.706 48.869 -16.047 1.00 10.44 N ATOM 637 CA ASN A 48 48.299 47.566 -16.559 1.00 13.13 C ATOM 638 C ASN A 48 47.754 46.686 -15.439 1.00 55.45 C ATOM 639 O ASN A 48 48.145 45.528 -15.297 1.00 11.14 O ATOM 640 CB ASN A 48 49.480 46.871 -17.240 1.00 31.40 C ATOM 641 CG ASN A 48 50.433 47.854 -17.891 1.00 72.02 C ATOM 642 OD1 ASN A 48 50.335 48.133 -19.086 1.00 20.20 O ATOM 643 ND2 ASN A 48 51.363 48.384 -17.104 1.00 25.04 N ATOM 0 H ASN A 48 49.711 48.972 -15.906 1.00 10.44 H new ATOM 0 HA ASN A 48 47.507 47.723 -17.291 1.00 13.13 H new ATOM 0 HB2 ASN A 48 50.022 46.277 -16.504 1.00 31.40 H new ATOM 0 HB3 ASN A 48 49.105 46.179 -17.994 1.00 31.40 H new ATOM 0 HD21 ASN A 48 52.033 49.052 -17.485 1.00 25.04 H new ATOM 0 HD22 ASN A 48 51.406 48.123 -16.119 1.00 25.04 H new ATOM 650 N VAL A 49 46.848 47.246 -14.643 1.00 42.03 N ATOM 651 CA VAL A 49 46.246 46.513 -13.535 1.00 61.53 C ATOM 652 C VAL A 49 44.724 46.575 -13.597 1.00 73.03 C ATOM 653 O VAL A 49 44.146 47.623 -13.885 1.00 34.22 O ATOM 654 CB VAL A 49 46.717 47.064 -12.176 1.00 34.13 C ATOM 655 CG1 VAL A 49 45.930 46.430 -11.040 1.00 44.31 C ATOM 656 CG2 VAL A 49 48.210 46.831 -11.995 1.00 3.21 C ATOM 0 H VAL A 49 46.515 48.205 -14.745 1.00 42.03 H new ATOM 0 HA VAL A 49 46.568 45.476 -13.629 1.00 61.53 H new ATOM 0 HB VAL A 49 46.534 48.138 -12.157 1.00 34.13 H new ATOM 0 HG11 VAL A 49 46.277 46.832 -10.088 1.00 44.31 H new ATOM 0 HG12 VAL A 49 44.870 46.653 -11.163 1.00 44.31 H new ATOM 0 HG13 VAL A 49 46.078 45.350 -11.053 1.00 44.31 H new ATOM 0 HG21 VAL A 49 48.526 47.227 -11.030 1.00 3.21 H new ATOM 0 HG22 VAL A 49 48.419 45.762 -12.035 1.00 3.21 H new ATOM 0 HG23 VAL A 49 48.756 47.337 -12.791 1.00 3.21 H new ATOM 666 N SER A 50 44.080 45.445 -13.323 1.00 40.43 N ATOM 667 CA SER A 50 42.624 45.370 -13.350 1.00 60.21 C ATOM 668 C SER A 50 42.134 44.074 -12.709 1.00 14.31 C ATOM 669 O SER A 50 42.932 43.230 -12.300 1.00 15.30 O ATOM 670 CB SER A 50 42.114 45.465 -14.789 1.00 52.24 C ATOM 671 OG SER A 50 41.863 44.178 -15.327 1.00 63.31 O ATOM 0 H SER A 50 44.543 44.569 -13.080 1.00 40.43 H new ATOM 0 HA SER A 50 42.231 46.210 -12.777 1.00 60.21 H new ATOM 0 HB2 SER A 50 41.200 46.058 -14.816 1.00 52.24 H new ATOM 0 HB3 SER A 50 42.849 45.983 -15.405 1.00 52.24 H new ATOM 0 HG SER A 50 41.431 44.268 -16.202 1.00 63.31 H new ATOM 677 N LEU A 51 40.817 43.924 -12.625 1.00 51.22 N ATOM 678 CA LEU A 51 40.219 42.732 -12.034 1.00 11.53 C ATOM 679 C LEU A 51 38.899 42.389 -12.718 1.00 51.54 C ATOM 680 O LEU A 51 38.498 43.044 -13.680 1.00 62.22 O ATOM 681 CB LEU A 51 39.993 42.940 -10.536 1.00 62.31 C ATOM 682 CG LEU A 51 41.246 42.929 -9.660 1.00 51.21 C ATOM 683 CD1 LEU A 51 41.001 43.694 -8.369 1.00 55.44 C ATOM 684 CD2 LEU A 51 41.677 41.501 -9.362 1.00 32.53 C ATOM 0 H LEU A 51 40.143 44.613 -12.959 1.00 51.22 H new ATOM 0 HA LEU A 51 40.908 41.900 -12.178 1.00 11.53 H new ATOM 0 HB2 LEU A 51 39.484 43.893 -10.395 1.00 62.31 H new ATOM 0 HB3 LEU A 51 39.318 42.162 -10.179 1.00 62.31 H new ATOM 0 HG LEU A 51 42.050 43.423 -10.205 1.00 51.21 H new ATOM 0 HD11 LEU A 51 41.904 43.675 -7.758 1.00 55.44 H new ATOM 0 HD12 LEU A 51 40.741 44.727 -8.602 1.00 55.44 H new ATOM 0 HD13 LEU A 51 40.182 43.229 -7.820 1.00 55.44 H new ATOM 0 HD21 LEU A 51 42.570 41.513 -8.737 1.00 32.53 H new ATOM 0 HD22 LEU A 51 40.875 40.981 -8.838 1.00 32.53 H new ATOM 0 HD23 LEU A 51 41.895 40.984 -10.297 1.00 32.53 H new ATOM 696 N VAL A 52 38.226 41.361 -12.211 1.00 71.11 N ATOM 697 CA VAL A 52 36.949 40.933 -12.769 1.00 42.34 C ATOM 698 C VAL A 52 35.817 41.132 -11.768 1.00 53.34 C ATOM 699 O VAL A 52 34.644 40.955 -12.097 1.00 52.13 O ATOM 700 CB VAL A 52 36.990 39.454 -13.194 1.00 43.12 C ATOM 701 CG1 VAL A 52 37.025 38.548 -11.973 1.00 51.21 C ATOM 702 CG2 VAL A 52 35.798 39.121 -14.080 1.00 13.23 C ATOM 0 H VAL A 52 38.544 40.809 -11.414 1.00 71.11 H new ATOM 0 HA VAL A 52 36.765 41.551 -13.648 1.00 42.34 H new ATOM 0 HB VAL A 52 37.900 39.285 -13.769 1.00 43.12 H new ATOM 0 HG11 VAL A 52 37.054 37.507 -12.293 1.00 51.21 H new ATOM 0 HG12 VAL A 52 37.913 38.770 -11.381 1.00 51.21 H new ATOM 0 HG13 VAL A 52 36.134 38.717 -11.369 1.00 51.21 H new ATOM 0 HG21 VAL A 52 35.843 38.072 -14.371 1.00 13.23 H new ATOM 0 HG22 VAL A 52 34.874 39.306 -13.532 1.00 13.23 H new ATOM 0 HG23 VAL A 52 35.822 39.746 -14.972 1.00 13.23 H new ATOM 712 N LYS A 53 36.176 41.503 -10.543 1.00 63.23 N ATOM 713 CA LYS A 53 35.192 41.729 -9.492 1.00 64.20 C ATOM 714 C LYS A 53 34.206 42.821 -9.895 1.00 53.04 C ATOM 715 O LYS A 53 32.989 42.648 -9.829 1.00 60.31 O ATOM 716 CB LYS A 53 35.889 42.114 -8.185 1.00 20.33 C ATOM 717 CG LYS A 53 34.986 42.843 -7.205 1.00 3.54 C ATOM 718 CD LYS A 53 33.819 41.975 -6.770 1.00 65.14 C ATOM 719 CE LYS A 53 32.574 42.808 -6.500 1.00 21.24 C ATOM 720 NZ LYS A 53 31.677 42.158 -5.506 1.00 53.13 N ATOM 0 H LYS A 53 37.143 41.653 -10.254 1.00 63.23 H new ATOM 0 HA LYS A 53 34.639 40.802 -9.342 1.00 64.20 H new ATOM 0 HB2 LYS A 53 36.274 41.212 -7.709 1.00 20.33 H new ATOM 0 HB3 LYS A 53 36.748 42.745 -8.413 1.00 20.33 H new ATOM 0 HG2 LYS A 53 35.564 43.142 -6.330 1.00 3.54 H new ATOM 0 HG3 LYS A 53 34.609 43.756 -7.666 1.00 3.54 H new ATOM 0 HD2 LYS A 53 33.604 41.238 -7.544 1.00 65.14 H new ATOM 0 HD3 LYS A 53 34.091 41.423 -5.870 1.00 65.14 H new ATOM 0 HE2 LYS A 53 32.868 43.792 -6.135 1.00 21.24 H new ATOM 0 HE3 LYS A 53 32.031 42.963 -7.433 1.00 21.24 H new ATOM 0 HZ1 LYS A 53 30.841 42.756 -5.350 1.00 53.13 H new ATOM 0 HZ2 LYS A 53 31.376 41.229 -5.865 1.00 53.13 H new ATOM 0 HZ3 LYS A 53 32.186 42.033 -4.608 1.00 53.13 H new ATOM 734 N PRO A 54 34.741 43.973 -10.324 1.00 0.11 N ATOM 735 CA PRO A 54 33.926 45.116 -10.748 1.00 21.32 C ATOM 736 C PRO A 54 33.197 44.851 -12.061 1.00 22.14 C ATOM 737 O PRO A 54 32.332 45.627 -12.471 1.00 22.12 O ATOM 738 CB PRO A 54 34.952 46.238 -10.923 1.00 62.31 C ATOM 739 CG PRO A 54 36.236 45.537 -11.205 1.00 54.55 C ATOM 740 CD PRO A 54 36.184 44.250 -10.429 1.00 51.33 C ATOM 0 HA PRO A 54 33.141 45.347 -10.028 1.00 21.32 H new ATOM 0 HB2 PRO A 54 34.676 46.903 -11.742 1.00 62.31 H new ATOM 0 HB3 PRO A 54 35.025 46.851 -10.025 1.00 62.31 H new ATOM 0 HG2 PRO A 54 36.350 45.345 -12.272 1.00 54.55 H new ATOM 0 HG3 PRO A 54 37.088 46.144 -10.898 1.00 54.55 H new ATOM 0 HD2 PRO A 54 36.711 43.448 -10.946 1.00 51.33 H new ATOM 0 HD3 PRO A 54 36.646 44.354 -9.447 1.00 51.33 H new ATOM 748 N THR A 55 33.551 43.751 -12.719 1.00 50.42 N ATOM 749 CA THR A 55 32.930 43.385 -13.986 1.00 33.22 C ATOM 750 C THR A 55 31.703 42.511 -13.765 1.00 62.30 C ATOM 751 O THR A 55 31.015 42.136 -14.715 1.00 43.13 O ATOM 752 CB THR A 55 33.920 42.639 -14.900 1.00 1.15 C ATOM 753 OG1 THR A 55 33.983 41.257 -14.530 1.00 15.24 O ATOM 754 CG2 THR A 55 35.308 43.256 -14.815 1.00 42.52 C ATOM 0 H THR A 55 34.265 43.098 -12.395 1.00 50.42 H new ATOM 0 HA THR A 55 32.628 44.314 -14.470 1.00 33.22 H new ATOM 0 HB THR A 55 33.565 42.724 -15.927 1.00 1.15 H new ATOM 0 HG1 THR A 55 33.874 41.173 -13.560 1.00 15.24 H new ATOM 0 HG21 THR A 55 35.989 42.712 -15.469 1.00 42.52 H new ATOM 0 HG22 THR A 55 35.262 44.300 -15.127 1.00 42.52 H new ATOM 0 HG23 THR A 55 35.669 43.200 -13.788 1.00 42.52 H new ATOM 762 N VAL A 56 31.431 42.187 -12.504 1.00 65.14 N ATOM 763 CA VAL A 56 30.283 41.357 -12.157 1.00 3.44 C ATOM 764 C VAL A 56 28.982 41.993 -12.633 1.00 21.22 C ATOM 765 O VAL A 56 28.035 41.295 -12.997 1.00 40.35 O ATOM 766 CB VAL A 56 30.201 41.120 -10.638 1.00 72.30 C ATOM 767 CG1 VAL A 56 31.389 40.300 -10.160 1.00 12.12 C ATOM 768 CG2 VAL A 56 30.124 42.445 -9.895 1.00 23.52 C ATOM 0 H VAL A 56 31.991 42.487 -11.706 1.00 65.14 H new ATOM 0 HA VAL A 56 30.421 40.399 -12.659 1.00 3.44 H new ATOM 0 HB VAL A 56 29.292 40.557 -10.425 1.00 72.30 H new ATOM 0 HG11 VAL A 56 31.313 40.143 -9.084 1.00 12.12 H new ATOM 0 HG12 VAL A 56 31.394 39.336 -10.668 1.00 12.12 H new ATOM 0 HG13 VAL A 56 32.313 40.833 -10.385 1.00 12.12 H new ATOM 0 HG21 VAL A 56 30.067 42.258 -8.823 1.00 23.52 H new ATOM 0 HG22 VAL A 56 31.013 43.037 -10.113 1.00 23.52 H new ATOM 0 HG23 VAL A 56 29.237 42.991 -10.216 1.00 23.52 H new ATOM 778 N TYR A 57 28.942 43.321 -12.628 1.00 3.31 N ATOM 779 CA TYR A 57 27.756 44.051 -13.057 1.00 51.44 C ATOM 780 C TYR A 57 27.268 43.550 -14.413 1.00 50.01 C ATOM 781 O TYR A 57 26.068 43.548 -14.692 1.00 32.12 O ATOM 782 CB TYR A 57 28.054 45.550 -13.132 1.00 65.05 C ATOM 783 CG TYR A 57 28.834 45.952 -14.363 1.00 52.22 C ATOM 784 CD1 TYR A 57 30.141 45.518 -14.553 1.00 44.12 C ATOM 785 CD2 TYR A 57 28.265 46.765 -15.336 1.00 72.32 C ATOM 786 CE1 TYR A 57 30.858 45.883 -15.676 1.00 4.41 C ATOM 787 CE2 TYR A 57 28.975 47.133 -16.463 1.00 70.12 C ATOM 788 CZ TYR A 57 30.271 46.690 -16.628 1.00 42.22 C ATOM 789 OH TYR A 57 30.981 47.056 -17.748 1.00 21.11 O ATOM 0 H TYR A 57 29.718 43.913 -12.331 1.00 3.31 H new ATOM 0 HA TYR A 57 26.969 43.879 -12.322 1.00 51.44 H new ATOM 0 HB2 TYR A 57 27.113 46.100 -13.113 1.00 65.05 H new ATOM 0 HB3 TYR A 57 28.614 45.845 -12.245 1.00 65.05 H new ATOM 0 HD1 TYR A 57 30.604 44.885 -13.810 1.00 44.12 H new ATOM 0 HD2 TYR A 57 27.251 47.115 -15.209 1.00 72.32 H new ATOM 0 HE1 TYR A 57 31.873 45.538 -15.808 1.00 4.41 H new ATOM 0 HE2 TYR A 57 28.518 47.764 -17.211 1.00 70.12 H new ATOM 0 HH TYR A 57 30.422 47.624 -18.318 1.00 21.11 H new ATOM 799 N VAL A 58 28.207 43.126 -15.252 1.00 4.21 N ATOM 800 CA VAL A 58 27.874 42.619 -16.579 1.00 43.51 C ATOM 801 C VAL A 58 27.399 41.173 -16.512 1.00 52.14 C ATOM 802 O VAL A 58 26.569 40.743 -17.314 1.00 13.34 O ATOM 803 CB VAL A 58 29.081 42.710 -17.533 1.00 60.44 C ATOM 804 CG1 VAL A 58 28.940 41.706 -18.667 1.00 62.14 C ATOM 805 CG2 VAL A 58 29.227 44.123 -18.074 1.00 4.31 C ATOM 0 H VAL A 58 29.204 43.123 -15.037 1.00 4.21 H new ATOM 0 HA VAL A 58 27.068 43.244 -16.964 1.00 43.51 H new ATOM 0 HB VAL A 58 29.984 42.466 -16.974 1.00 60.44 H new ATOM 0 HG11 VAL A 58 29.801 41.784 -19.331 1.00 62.14 H new ATOM 0 HG12 VAL A 58 28.889 40.698 -18.256 1.00 62.14 H new ATOM 0 HG13 VAL A 58 28.029 41.916 -19.228 1.00 62.14 H new ATOM 0 HG21 VAL A 58 30.084 44.169 -18.746 1.00 4.31 H new ATOM 0 HG22 VAL A 58 28.324 44.399 -18.619 1.00 4.31 H new ATOM 0 HG23 VAL A 58 29.378 44.816 -17.246 1.00 4.31 H new ATOM 815 N TYR A 59 27.930 40.426 -15.551 1.00 61.31 N ATOM 816 CA TYR A 59 27.562 39.025 -15.380 1.00 41.12 C ATOM 817 C TYR A 59 26.047 38.851 -15.424 1.00 71.12 C ATOM 818 O TYR A 59 25.533 37.961 -16.102 1.00 42.33 O ATOM 819 CB TYR A 59 28.110 38.490 -14.056 1.00 71.04 C ATOM 820 CG TYR A 59 28.111 36.980 -13.967 1.00 52.32 C ATOM 821 CD1 TYR A 59 28.547 36.203 -15.033 1.00 51.43 C ATOM 822 CD2 TYR A 59 27.676 36.333 -12.817 1.00 63.42 C ATOM 823 CE1 TYR A 59 28.550 34.824 -14.956 1.00 21.41 C ATOM 824 CE2 TYR A 59 27.676 34.953 -12.732 1.00 35.04 C ATOM 825 CZ TYR A 59 28.114 34.203 -13.803 1.00 44.20 C ATOM 826 OH TYR A 59 28.114 32.829 -13.723 1.00 13.51 O ATOM 0 H TYR A 59 28.617 40.767 -14.878 1.00 61.31 H new ATOM 0 HA TYR A 59 27.999 38.458 -16.202 1.00 41.12 H new ATOM 0 HB2 TYR A 59 29.128 38.854 -13.920 1.00 71.04 H new ATOM 0 HB3 TYR A 59 27.515 38.894 -13.237 1.00 71.04 H new ATOM 0 HD1 TYR A 59 28.889 36.685 -15.937 1.00 51.43 H new ATOM 0 HD2 TYR A 59 27.332 36.917 -11.976 1.00 63.42 H new ATOM 0 HE1 TYR A 59 28.892 34.234 -15.794 1.00 21.41 H new ATOM 0 HE2 TYR A 59 27.335 34.465 -11.831 1.00 35.04 H new ATOM 0 HH TYR A 59 27.779 32.552 -12.845 1.00 13.51 H new ATOM 836 N SER A 60 25.338 39.708 -14.696 1.00 20.34 N ATOM 837 CA SER A 60 23.881 39.648 -14.650 1.00 74.13 C ATOM 838 C SER A 60 23.272 40.231 -15.920 1.00 11.21 C ATOM 839 O SER A 60 22.288 39.711 -16.445 1.00 1.30 O ATOM 840 CB SER A 60 23.358 40.402 -13.425 1.00 32.13 C ATOM 841 OG SER A 60 21.956 40.585 -13.501 1.00 42.33 O ATOM 0 H SER A 60 25.748 40.451 -14.131 1.00 20.34 H new ATOM 0 HA SER A 60 23.587 38.601 -14.577 1.00 74.13 H new ATOM 0 HB2 SER A 60 23.607 39.849 -12.520 1.00 32.13 H new ATOM 0 HB3 SER A 60 23.851 41.371 -13.352 1.00 32.13 H new ATOM 0 HG SER A 60 21.646 41.068 -12.707 1.00 42.33 H new ATOM 847 N ARG A 61 23.866 41.316 -16.408 1.00 45.11 N ATOM 848 CA ARG A 61 23.381 41.972 -17.617 1.00 13.33 C ATOM 849 C ARG A 61 23.318 40.989 -18.782 1.00 42.44 C ATOM 850 O ARG A 61 22.251 40.746 -19.345 1.00 62.41 O ATOM 851 CB ARG A 61 24.285 43.152 -17.979 1.00 21.34 C ATOM 852 CG ARG A 61 24.015 44.403 -17.158 1.00 65.32 C ATOM 853 CD ARG A 61 24.339 45.664 -17.942 1.00 5.51 C ATOM 854 NE ARG A 61 24.625 46.795 -17.064 1.00 14.14 N ATOM 855 CZ ARG A 61 23.684 47.530 -16.480 1.00 33.42 C ATOM 856 NH1 ARG A 61 22.404 47.252 -16.679 1.00 1.44 N ATOM 857 NH2 ARG A 61 24.025 48.543 -15.694 1.00 71.42 N ATOM 0 H ARG A 61 24.682 41.758 -15.986 1.00 45.11 H new ATOM 0 HA ARG A 61 22.374 42.341 -17.421 1.00 13.33 H new ATOM 0 HB2 ARG A 61 25.325 42.856 -17.843 1.00 21.34 H new ATOM 0 HB3 ARG A 61 24.156 43.387 -19.036 1.00 21.34 H new ATOM 0 HG2 ARG A 61 22.968 44.421 -16.854 1.00 65.32 H new ATOM 0 HG3 ARG A 61 24.611 44.377 -16.246 1.00 65.32 H new ATOM 0 HD2 ARG A 61 25.198 45.479 -18.587 1.00 5.51 H new ATOM 0 HD3 ARG A 61 23.500 45.913 -18.592 1.00 5.51 H new ATOM 0 HE ARG A 61 25.601 47.034 -16.889 1.00 14.14 H new ATOM 0 HH11 ARG A 61 22.139 46.473 -17.281 1.00 1.44 H new ATOM 0 HH12 ARG A 61 21.684 47.817 -16.230 1.00 1.44 H new ATOM 0 HH21 ARG A 61 25.010 48.758 -15.538 1.00 71.42 H new ATOM 0 HH22 ARG A 61 23.302 49.107 -15.246 1.00 71.42 H new ATOM 871 N VAL A 62 24.469 40.429 -19.139 1.00 25.51 N ATOM 872 CA VAL A 62 24.544 39.471 -20.236 1.00 33.24 C ATOM 873 C VAL A 62 23.575 38.314 -20.024 1.00 34.10 C ATOM 874 O VAL A 62 23.003 37.786 -20.978 1.00 42.53 O ATOM 875 CB VAL A 62 25.970 38.911 -20.394 1.00 62.51 C ATOM 876 CG1 VAL A 62 26.942 40.019 -20.771 1.00 24.31 C ATOM 877 CG2 VAL A 62 26.413 38.214 -19.116 1.00 63.21 C ATOM 0 H VAL A 62 25.362 40.622 -18.685 1.00 25.51 H new ATOM 0 HA VAL A 62 24.269 40.007 -21.144 1.00 33.24 H new ATOM 0 HB VAL A 62 25.965 38.176 -21.199 1.00 62.51 H new ATOM 0 HG11 VAL A 62 27.944 39.603 -20.878 1.00 24.31 H new ATOM 0 HG12 VAL A 62 26.633 40.469 -21.715 1.00 24.31 H new ATOM 0 HG13 VAL A 62 26.946 40.780 -19.991 1.00 24.31 H new ATOM 0 HG21 VAL A 62 27.423 37.824 -19.245 1.00 63.21 H new ATOM 0 HG22 VAL A 62 26.402 38.926 -18.291 1.00 63.21 H new ATOM 0 HG23 VAL A 62 25.732 37.392 -18.895 1.00 63.21 H new ATOM 887 N LYS A 63 23.395 37.923 -18.767 1.00 1.23 N ATOM 888 CA LYS A 63 22.494 36.829 -18.427 1.00 20.10 C ATOM 889 C LYS A 63 21.041 37.227 -18.664 1.00 50.45 C ATOM 890 O LYS A 63 20.243 36.433 -19.160 1.00 41.34 O ATOM 891 CB LYS A 63 22.689 36.415 -16.967 1.00 61.34 C ATOM 892 CG LYS A 63 21.816 35.246 -16.544 1.00 31.00 C ATOM 893 CD LYS A 63 21.662 35.183 -15.034 1.00 63.32 C ATOM 894 CE LYS A 63 20.531 36.079 -14.551 1.00 61.55 C ATOM 895 NZ LYS A 63 20.401 36.056 -13.068 1.00 20.32 N ATOM 0 H LYS A 63 23.862 38.348 -17.966 1.00 1.23 H new ATOM 0 HA LYS A 63 22.730 35.983 -19.073 1.00 20.10 H new ATOM 0 HB2 LYS A 63 23.735 36.152 -16.809 1.00 61.34 H new ATOM 0 HB3 LYS A 63 22.475 37.269 -16.324 1.00 61.34 H new ATOM 0 HG2 LYS A 63 20.834 35.338 -17.007 1.00 31.00 H new ATOM 0 HG3 LYS A 63 22.253 34.315 -16.905 1.00 31.00 H new ATOM 0 HD2 LYS A 63 21.468 34.154 -14.730 1.00 63.32 H new ATOM 0 HD3 LYS A 63 22.595 35.485 -14.559 1.00 63.32 H new ATOM 0 HE2 LYS A 63 20.710 37.101 -14.884 1.00 61.55 H new ATOM 0 HE3 LYS A 63 19.593 35.756 -15.003 1.00 61.55 H new ATOM 0 HZ1 LYS A 63 19.620 36.679 -12.778 1.00 20.32 H new ATOM 0 HZ2 LYS A 63 20.205 35.085 -12.752 1.00 20.32 H new ATOM 0 HZ3 LYS A 63 21.287 36.389 -12.637 1.00 20.32 H new ATOM 909 N ASN A 64 20.705 38.464 -18.308 1.00 74.34 N ATOM 910 CA ASN A 64 19.348 38.967 -18.482 1.00 4.31 C ATOM 911 C ASN A 64 19.031 39.176 -19.960 1.00 11.12 C ATOM 912 O ASN A 64 17.869 39.148 -20.367 1.00 43.44 O ATOM 913 CB ASN A 64 19.168 40.282 -17.720 1.00 3.33 C ATOM 914 CG ASN A 64 18.784 40.062 -16.270 1.00 33.31 C ATOM 915 OD1 ASN A 64 17.728 40.506 -15.821 1.00 54.33 O ATOM 916 ND2 ASN A 64 19.644 39.372 -15.529 1.00 72.50 N ATOM 0 H ASN A 64 21.354 39.135 -17.898 1.00 74.34 H new ATOM 0 HA ASN A 64 18.658 38.225 -18.082 1.00 4.31 H new ATOM 0 HB2 ASN A 64 20.095 40.854 -17.765 1.00 3.33 H new ATOM 0 HB3 ASN A 64 18.400 40.880 -18.210 1.00 3.33 H new ATOM 0 HD21 ASN A 64 19.440 39.192 -14.546 1.00 72.50 H new ATOM 0 HD22 ASN A 64 20.508 39.022 -15.943 1.00 72.50 H new ATOM 923 N LEU A 65 20.072 39.383 -20.759 1.00 33.04 N ATOM 924 CA LEU A 65 19.906 39.596 -22.192 1.00 23.21 C ATOM 925 C LEU A 65 19.983 38.274 -22.951 1.00 3.15 C ATOM 926 O LEU A 65 20.491 37.296 -22.405 1.00 23.42 O ATOM 927 CB LEU A 65 20.974 40.559 -22.713 1.00 1.30 C ATOM 928 CG LEU A 65 21.197 40.561 -24.226 1.00 71.15 C ATOM 929 CD1 LEU A 65 19.878 40.753 -24.959 1.00 61.01 C ATOM 930 CD2 LEU A 65 22.190 41.646 -24.616 1.00 25.42 C ATOM 0 H LEU A 65 21.040 39.408 -20.438 1.00 33.04 H new ATOM 0 HA LEU A 65 18.921 40.033 -22.357 1.00 23.21 H new ATOM 0 HB2 LEU A 65 20.705 41.569 -22.404 1.00 1.30 H new ATOM 0 HB3 LEU A 65 21.920 40.318 -22.227 1.00 1.30 H new ATOM 0 HG LEU A 65 21.612 39.596 -24.515 1.00 71.15 H new ATOM 0 HD11 LEU A 65 20.056 40.752 -26.034 1.00 61.01 H new ATOM 0 HD12 LEU A 65 19.198 39.941 -24.703 1.00 61.01 H new ATOM 0 HD13 LEU A 65 19.434 41.704 -24.666 1.00 61.01 H new ATOM 0 HD21 LEU A 65 22.337 41.633 -25.696 1.00 25.42 H new ATOM 0 HD22 LEU A 65 21.803 42.619 -24.314 1.00 25.42 H new ATOM 0 HD23 LEU A 65 23.142 41.464 -24.118 1.00 25.42 H new