USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 62 SER OG : rot 156:sc= 0.115 USER MOD Set 1.2: A 71 SER OG : rot 123:sc= 0.147 USER MOD Set 2.1: A 17 SER OG : rot -160:sc= -1.33 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -5.78! C(o=-5.3!,f=-4.6!) USER MOD Set 3.2: A 58 THR OG1 : rot -155:sc= 1.13 USER MOD Set 4.1: A 7 THR OG1 : rot -23:sc= 0.0111 USER MOD Set 4.2: A 93 ASN : amide:sc= -1.24! C(o=-1.2!,f=-10!) USER MOD Single : A 10 ASN : amide:sc= -7.64! C(o=-7.6!,f=-19!) USER MOD Single : A 11 THR OG1 : rot 38:sc= -0.998 USER MOD Single : A 12 GLN : amide:sc= -0.283 K(o=-0.28,f=-5.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0.192 (180deg=0.024) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 70:sc= -0.779 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.4 K(o=-2.4,f=-9.2!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -8.62! C(o=-9.9!,f=-8.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 53 SER OG : rot 180:sc= -0.605 USER MOD Single : A 54 ASN : amide:sc= -3.8! C(o=-3.8!,f=-5.8!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -31:sc= 1.72 USER MOD Single : A 61 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.5!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 0.929 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 138:sc= 1.11 USER MOD Single : A 77 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.7) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 82 THR OG1 : rot 44:sc= 0.969 USER MOD Single : A 83 SER OG : rot -118:sc= -1.37 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.85! C(o=-6.7!,f=-4.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0012 USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0445) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.763 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.170 -4.964 -5.017 1.00 0.00 N ATOM 59 CA PHE A 4 11.927 -6.020 -5.693 1.00 0.00 C ATOM 60 C PHE A 4 13.405 -5.985 -5.303 1.00 0.00 C ATOM 61 O PHE A 4 14.027 -7.029 -5.111 1.00 0.00 O ATOM 62 CB PHE A 4 11.771 -5.901 -7.216 1.00 0.00 C ATOM 63 CG PHE A 4 12.634 -4.845 -7.852 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.191 -3.537 -7.954 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.886 -5.165 -8.353 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.980 -2.567 -8.543 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.680 -4.200 -8.942 1.00 0.00 C ATOM 68 CZ PHE A 4 14.226 -2.899 -9.037 1.00 0.00 C ATOM 0 HA PHE A 4 11.520 -6.979 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.005 -6.865 -7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.727 -5.686 -7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.218 -3.272 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.245 -6.181 -8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.622 -1.551 -8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.654 -4.462 -9.328 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.845 -2.143 -9.497 1.00 0.00 H new ATOM 78 N ILE A 5 13.964 -4.784 -5.187 1.00 0.00 N ATOM 79 CA ILE A 5 15.369 -4.638 -4.823 1.00 0.00 C ATOM 80 C ILE A 5 15.635 -5.185 -3.425 1.00 0.00 C ATOM 81 O ILE A 5 16.773 -5.507 -3.081 1.00 0.00 O ATOM 82 CB ILE A 5 15.823 -3.163 -4.885 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.349 -3.076 -4.839 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.205 -2.358 -3.748 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.015 -3.435 -6.149 1.00 0.00 C ATOM 0 H ILE A 5 13.470 -3.904 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 5 15.942 -5.213 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 5 15.479 -2.736 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.639 -2.063 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.719 -3.741 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.539 -1.322 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.118 -2.394 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.515 -2.781 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.097 -3.351 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.755 -4.458 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.674 -2.755 -6.929 1.00 0.00 H new ATOM 97 N GLU A 6 14.580 -5.307 -2.627 1.00 0.00 N ATOM 98 CA GLU A 6 14.711 -5.834 -1.274 1.00 0.00 C ATOM 99 C GLU A 6 14.936 -7.344 -1.303 1.00 0.00 C ATOM 100 O GLU A 6 15.503 -7.915 -0.370 1.00 0.00 O ATOM 101 CB GLU A 6 13.463 -5.508 -0.450 1.00 0.00 C ATOM 102 CG GLU A 6 13.532 -4.166 0.262 1.00 0.00 C ATOM 103 CD GLU A 6 14.197 -4.258 1.621 1.00 0.00 C ATOM 104 OE1 GLU A 6 13.711 -5.037 2.468 1.00 0.00 O ATOM 105 OE2 GLU A 6 15.205 -3.552 1.839 1.00 0.00 O ATOM 0 H GLU A 6 13.629 -5.050 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 6 15.575 -5.361 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.593 -5.516 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.312 -6.294 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.080 -3.458 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.523 -3.771 0.382 1.00 0.00 H new ATOM 112 N THR A 7 14.499 -7.986 -2.385 1.00 0.00 N ATOM 113 CA THR A 7 14.664 -9.427 -2.540 1.00 0.00 C ATOM 114 C THR A 7 15.522 -9.764 -3.763 1.00 0.00 C ATOM 115 O THR A 7 15.556 -10.911 -4.209 1.00 0.00 O ATOM 116 CB THR A 7 13.301 -10.113 -2.649 1.00 0.00 C ATOM 117 OG1 THR A 7 12.664 -9.774 -3.869 1.00 0.00 O ATOM 118 CG2 THR A 7 12.358 -9.750 -1.522 1.00 0.00 C ATOM 0 H THR A 7 14.028 -7.530 -3.166 1.00 0.00 H new ATOM 0 HA THR A 7 15.179 -9.798 -1.654 1.00 0.00 H new ATOM 0 HB THR A 7 13.510 -11.182 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.025 -8.926 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.410 -10.270 -1.659 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.799 -10.044 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.185 -8.674 -1.524 1.00 0.00 H new ATOM 126 N CYS A 8 16.208 -8.762 -4.310 1.00 0.00 N ATOM 127 CA CYS A 8 17.049 -8.970 -5.482 1.00 0.00 C ATOM 128 C CYS A 8 18.436 -8.373 -5.274 1.00 0.00 C ATOM 129 O CYS A 8 18.614 -7.442 -4.489 1.00 0.00 O ATOM 130 CB CYS A 8 16.396 -8.359 -6.724 1.00 0.00 C ATOM 131 SG CYS A 8 14.721 -8.988 -7.072 1.00 0.00 S ATOM 0 H CYS A 8 16.197 -7.804 -3.961 1.00 0.00 H new ATOM 0 HA CYS A 8 17.157 -10.044 -5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.347 -7.277 -6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.032 -8.553 -7.588 1.00 0.00 H new ATOM 136 N ARG A 9 19.415 -8.916 -5.987 1.00 0.00 N ATOM 137 CA ARG A 9 20.790 -8.445 -5.883 1.00 0.00 C ATOM 138 C ARG A 9 21.405 -8.244 -7.262 1.00 0.00 C ATOM 139 O ARG A 9 20.806 -8.598 -8.278 1.00 0.00 O ATOM 140 CB ARG A 9 21.633 -9.439 -5.084 1.00 0.00 C ATOM 141 CG ARG A 9 21.587 -10.853 -5.638 1.00 0.00 C ATOM 142 CD ARG A 9 22.402 -11.811 -4.786 1.00 0.00 C ATOM 143 NE ARG A 9 21.800 -12.021 -3.472 1.00 0.00 N ATOM 144 CZ ARG A 9 22.283 -12.863 -2.562 1.00 0.00 C ATOM 145 NH1 ARG A 9 23.373 -13.575 -2.819 1.00 0.00 N ATOM 146 NH2 ARG A 9 21.675 -12.992 -1.391 1.00 0.00 N ATOM 0 H ARG A 9 19.282 -9.684 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 9 20.777 -7.486 -5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.668 -9.096 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.286 -9.450 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.553 -11.194 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.969 -10.858 -6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.492 -12.768 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.412 -11.419 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 9 20.960 -11.491 -3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.845 -13.478 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.739 -14.219 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.838 -12.446 -1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.045 -13.637 -0.693 1.00 0.00 H new ATOM 160 N ASN A 10 22.607 -7.673 -7.286 1.00 0.00 N ATOM 161 CA ASN A 10 23.330 -7.419 -8.530 1.00 0.00 C ATOM 162 C ASN A 10 22.452 -6.737 -9.578 1.00 0.00 C ATOM 163 O ASN A 10 22.300 -7.231 -10.695 1.00 0.00 O ATOM 164 CB ASN A 10 23.925 -8.721 -9.086 1.00 0.00 C ATOM 165 CG ASN A 10 22.880 -9.692 -9.604 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.262 -10.426 -8.833 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.688 -9.710 -10.917 1.00 0.00 N ATOM 0 H ASN A 10 23.106 -7.374 -6.448 1.00 0.00 H new ATOM 0 HA ASN A 10 24.144 -6.733 -8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.617 -8.479 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.506 -9.209 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.006 -10.350 -11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.223 -9.084 -11.519 1.00 0.00 H new ATOM 174 N THR A 11 21.901 -5.581 -9.219 1.00 0.00 N ATOM 175 CA THR A 11 21.076 -4.820 -10.144 1.00 0.00 C ATOM 176 C THR A 11 21.972 -4.056 -11.109 1.00 0.00 C ATOM 177 O THR A 11 22.949 -3.430 -10.701 1.00 0.00 O ATOM 178 CB THR A 11 20.155 -3.858 -9.392 1.00 0.00 C ATOM 179 OG1 THR A 11 20.841 -3.249 -8.314 1.00 0.00 O ATOM 180 CG2 THR A 11 18.919 -4.527 -8.832 1.00 0.00 C ATOM 0 H THR A 11 22.011 -5.155 -8.299 1.00 0.00 H new ATOM 0 HA THR A 11 20.447 -5.511 -10.705 1.00 0.00 H new ATOM 0 HB THR A 11 19.844 -3.119 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.762 -3.051 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.310 -3.788 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.341 -4.964 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.214 -5.311 -8.134 1.00 0.00 H new ATOM 188 N GLN A 12 21.644 -4.124 -12.390 1.00 0.00 N ATOM 189 CA GLN A 12 22.436 -3.453 -13.414 1.00 0.00 C ATOM 190 C GLN A 12 21.623 -3.209 -14.672 1.00 0.00 C ATOM 191 O GLN A 12 20.567 -3.809 -14.868 1.00 0.00 O ATOM 192 CB GLN A 12 23.689 -4.262 -13.743 1.00 0.00 C ATOM 193 CG GLN A 12 23.402 -5.719 -14.058 1.00 0.00 C ATOM 194 CD GLN A 12 23.418 -6.005 -15.546 1.00 0.00 C ATOM 195 OE1 GLN A 12 23.148 -5.124 -16.363 1.00 0.00 O ATOM 196 NE2 GLN A 12 23.736 -7.242 -15.906 1.00 0.00 N ATOM 0 H GLN A 12 20.837 -4.635 -12.747 1.00 0.00 H new ATOM 0 HA GLN A 12 22.738 -2.485 -13.015 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.193 -3.806 -14.595 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.378 -4.209 -12.900 1.00 0.00 H new ATOM 0 HG2 GLN A 12 24.142 -6.347 -13.563 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.429 -5.991 -13.649 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.953 -7.940 -15.195 1.00 0.00 H new ATOM 0 HE22 GLN A 12 23.764 -7.494 -16.894 1.00 0.00 H new ATOM 205 N LEU A 13 22.125 -2.327 -15.523 1.00 0.00 N ATOM 206 CA LEU A 13 21.441 -2.004 -16.761 1.00 0.00 C ATOM 207 C LEU A 13 22.017 -2.794 -17.921 1.00 0.00 C ATOM 208 O LEU A 13 23.234 -2.892 -18.086 1.00 0.00 O ATOM 209 CB LEU A 13 21.567 -0.516 -17.071 1.00 0.00 C ATOM 210 CG LEU A 13 20.862 -0.077 -18.356 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.676 0.811 -18.030 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.829 0.636 -19.293 1.00 0.00 C ATOM 0 H LEU A 13 23.001 -1.825 -15.378 1.00 0.00 H new ATOM 0 HA LEU A 13 20.391 -2.265 -16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.160 0.053 -16.235 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.624 -0.261 -17.145 1.00 0.00 H new ATOM 0 HG LEU A 13 20.497 -0.968 -18.867 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.185 1.115 -18.954 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.970 0.261 -17.408 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.020 1.695 -17.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.303 0.937 -20.199 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.232 1.519 -18.797 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.645 -0.037 -19.555 1.00 0.00 H new ATOM 224 N ALA A 14 21.127 -3.338 -18.737 1.00 0.00 N ATOM 225 CA ALA A 14 21.511 -4.102 -19.907 1.00 0.00 C ATOM 226 C ALA A 14 20.954 -3.412 -21.142 1.00 0.00 C ATOM 227 O ALA A 14 19.875 -2.824 -21.088 1.00 0.00 O ATOM 228 CB ALA A 14 20.990 -5.528 -19.801 1.00 0.00 C ATOM 0 H ALA A 14 20.119 -3.260 -18.604 1.00 0.00 H new ATOM 0 HA ALA A 14 22.597 -4.151 -19.979 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.286 -6.090 -20.687 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.408 -6.003 -18.913 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.903 -5.514 -19.727 1.00 0.00 H new ATOM 234 N GLY A 15 21.685 -3.455 -22.245 1.00 0.00 N ATOM 235 CA GLY A 15 21.213 -2.794 -23.447 1.00 0.00 C ATOM 236 C GLY A 15 21.000 -1.308 -23.218 1.00 0.00 C ATOM 237 O GLY A 15 21.665 -0.708 -22.373 1.00 0.00 O ATOM 0 H GLY A 15 22.584 -3.928 -22.332 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.935 -2.940 -24.251 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.278 -3.251 -23.771 1.00 0.00 H new ATOM 241 N SER A 16 20.100 -0.703 -23.986 1.00 0.00 N ATOM 242 CA SER A 16 19.849 0.730 -23.867 1.00 0.00 C ATOM 243 C SER A 16 18.817 1.060 -22.793 1.00 0.00 C ATOM 244 O SER A 16 18.937 2.081 -22.115 1.00 0.00 O ATOM 245 CB SER A 16 19.357 1.282 -25.201 1.00 0.00 C ATOM 246 OG SER A 16 20.055 0.696 -26.286 1.00 0.00 O ATOM 0 H SER A 16 19.536 -1.177 -24.692 1.00 0.00 H new ATOM 0 HA SER A 16 20.794 1.191 -23.579 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.289 1.090 -25.306 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.490 2.364 -25.221 1.00 0.00 H new ATOM 0 HG SER A 16 19.719 1.066 -27.129 1.00 0.00 H new ATOM 252 N SER A 17 17.795 0.222 -22.640 1.00 0.00 N ATOM 253 CA SER A 17 16.761 0.490 -21.652 1.00 0.00 C ATOM 254 C SER A 17 16.289 -0.778 -20.933 1.00 0.00 C ATOM 255 O SER A 17 15.113 -0.900 -20.595 1.00 0.00 O ATOM 256 CB SER A 17 15.582 1.189 -22.329 1.00 0.00 C ATOM 257 OG SER A 17 15.325 0.639 -23.610 1.00 0.00 O ATOM 0 H SER A 17 17.664 -0.634 -23.179 1.00 0.00 H new ATOM 0 HA SER A 17 17.192 1.138 -20.889 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.693 1.095 -21.705 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.793 2.254 -22.424 1.00 0.00 H new ATOM 0 HG SER A 17 14.805 1.277 -24.142 1.00 0.00 H new ATOM 263 N GLU A 18 17.209 -1.710 -20.687 1.00 0.00 N ATOM 264 CA GLU A 18 16.875 -2.952 -19.984 1.00 0.00 C ATOM 265 C GLU A 18 17.599 -3.064 -18.650 1.00 0.00 C ATOM 266 O GLU A 18 18.715 -2.576 -18.491 1.00 0.00 O ATOM 267 CB GLU A 18 17.194 -4.190 -20.829 1.00 0.00 C ATOM 268 CG GLU A 18 16.120 -4.545 -21.837 1.00 0.00 C ATOM 269 CD GLU A 18 16.469 -4.128 -23.252 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.300 -3.210 -23.414 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.910 -4.721 -24.199 1.00 0.00 O ATOM 0 H GLU A 18 18.188 -1.631 -20.962 1.00 0.00 H new ATOM 0 HA GLU A 18 15.801 -2.912 -19.802 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.133 -4.024 -21.358 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.349 -5.040 -20.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.950 -5.621 -21.814 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.184 -4.068 -21.545 1.00 0.00 H new ATOM 278 N LEU A 19 16.950 -3.728 -17.700 1.00 0.00 N ATOM 279 CA LEU A 19 17.516 -3.941 -16.375 1.00 0.00 C ATOM 280 C LEU A 19 17.547 -5.437 -16.078 1.00 0.00 C ATOM 281 O LEU A 19 16.517 -6.110 -16.138 1.00 0.00 O ATOM 282 CB LEU A 19 16.690 -3.200 -15.315 1.00 0.00 C ATOM 283 CG LEU A 19 16.891 -3.665 -13.868 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.319 -3.406 -13.411 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.902 -2.967 -12.946 1.00 0.00 C ATOM 0 H LEU A 19 16.022 -4.131 -17.826 1.00 0.00 H new ATOM 0 HA LEU A 19 18.532 -3.547 -16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.929 -2.138 -15.372 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.634 -3.303 -15.567 1.00 0.00 H new ATOM 0 HG LEU A 19 16.710 -4.739 -13.825 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.438 -3.744 -12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.011 -3.950 -14.054 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.532 -2.339 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.057 -3.307 -11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.055 -1.889 -12.997 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.885 -3.204 -13.257 1.00 0.00 H new ATOM 297 N ALA A 20 18.720 -5.962 -15.749 1.00 0.00 N ATOM 298 CA ALA A 20 18.850 -7.374 -15.442 1.00 0.00 C ATOM 299 C ALA A 20 19.329 -7.546 -14.003 1.00 0.00 C ATOM 300 O ALA A 20 20.123 -6.748 -13.505 1.00 0.00 O ATOM 301 CB ALA A 20 19.794 -8.037 -16.435 1.00 0.00 C ATOM 0 H ALA A 20 19.589 -5.432 -15.689 1.00 0.00 H new ATOM 0 HA ALA A 20 17.880 -7.862 -15.533 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.886 -9.097 -16.198 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.398 -7.924 -17.444 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.775 -7.565 -16.375 1.00 0.00 H new ATOM 307 N ALA A 21 18.823 -8.572 -13.332 1.00 0.00 N ATOM 308 CA ALA A 21 19.179 -8.819 -11.940 1.00 0.00 C ATOM 309 C ALA A 21 18.861 -10.251 -11.529 1.00 0.00 C ATOM 310 O ALA A 21 18.208 -10.987 -12.269 1.00 0.00 O ATOM 311 CB ALA A 21 18.464 -7.831 -11.032 1.00 0.00 C ATOM 0 H ALA A 21 18.167 -9.245 -13.727 1.00 0.00 H new ATOM 0 HA ALA A 21 20.255 -8.678 -11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.738 -8.026 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.755 -6.815 -11.299 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.386 -7.943 -11.150 1.00 0.00 H new ATOM 317 N GLU A 22 19.284 -10.629 -10.327 1.00 0.00 N ATOM 318 CA GLU A 22 18.995 -11.954 -9.802 1.00 0.00 C ATOM 319 C GLU A 22 18.063 -11.815 -8.603 1.00 0.00 C ATOM 320 O GLU A 22 18.286 -10.971 -7.734 1.00 0.00 O ATOM 321 CB GLU A 22 20.287 -12.668 -9.394 1.00 0.00 C ATOM 322 CG GLU A 22 21.296 -12.798 -10.525 1.00 0.00 C ATOM 323 CD GLU A 22 21.717 -14.234 -10.772 1.00 0.00 C ATOM 324 OE1 GLU A 22 20.950 -14.973 -11.422 1.00 0.00 O ATOM 325 OE2 GLU A 22 22.815 -14.618 -10.315 1.00 0.00 O ATOM 0 H GLU A 22 19.827 -10.035 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 22 18.513 -12.553 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.747 -12.125 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.040 -13.663 -9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.866 -12.387 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.177 -12.201 -10.291 1.00 0.00 H new ATOM 332 N CYS A 23 17.011 -12.625 -8.551 1.00 0.00 N ATOM 333 CA CYS A 23 16.062 -12.542 -7.449 1.00 0.00 C ATOM 334 C CYS A 23 15.770 -13.910 -6.844 1.00 0.00 C ATOM 335 O CYS A 23 15.563 -14.891 -7.559 1.00 0.00 O ATOM 336 CB CYS A 23 14.762 -11.896 -7.924 1.00 0.00 C ATOM 337 SG CYS A 23 14.983 -10.240 -8.649 1.00 0.00 S ATOM 0 H CYS A 23 16.796 -13.337 -9.249 1.00 0.00 H new ATOM 0 HA CYS A 23 16.515 -11.926 -6.672 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.294 -12.546 -8.663 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.074 -11.824 -7.081 1.00 0.00 H new ATOM 342 N LYS A 24 15.776 -13.965 -5.519 1.00 0.00 N ATOM 343 CA LYS A 24 15.521 -15.210 -4.810 1.00 0.00 C ATOM 344 C LYS A 24 14.081 -15.677 -4.999 1.00 0.00 C ATOM 345 O LYS A 24 13.139 -14.889 -4.926 1.00 0.00 O ATOM 346 CB LYS A 24 15.836 -15.055 -3.316 1.00 0.00 C ATOM 347 CG LYS A 24 14.918 -14.080 -2.592 1.00 0.00 C ATOM 348 CD LYS A 24 14.713 -14.477 -1.137 1.00 0.00 C ATOM 349 CE LYS A 24 15.777 -13.871 -0.236 1.00 0.00 C ATOM 350 NZ LYS A 24 16.876 -14.835 0.054 1.00 0.00 N ATOM 0 H LYS A 24 15.954 -13.163 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 24 16.179 -15.969 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.765 -16.031 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.867 -14.720 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.342 -13.077 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.954 -14.043 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.727 -14.152 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.736 -15.563 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.191 -12.981 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.320 -13.550 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.310 -14.601 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.491 -15.800 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.595 -14.777 -0.695 1.00 0.00 H new ATOM 364 N THR A 25 13.928 -16.975 -5.241 1.00 0.00 N ATOM 365 CA THR A 25 12.613 -17.573 -5.440 1.00 0.00 C ATOM 366 C THR A 25 11.993 -17.959 -4.101 1.00 0.00 C ATOM 367 O THR A 25 12.587 -17.728 -3.048 1.00 0.00 O ATOM 368 CB THR A 25 12.721 -18.799 -6.348 1.00 0.00 C ATOM 369 OG1 THR A 25 13.487 -19.817 -5.728 1.00 0.00 O ATOM 370 CG2 THR A 25 13.359 -18.492 -7.686 1.00 0.00 C ATOM 0 H THR A 25 14.703 -17.635 -5.304 1.00 0.00 H new ATOM 0 HA THR A 25 11.967 -16.838 -5.920 1.00 0.00 H new ATOM 0 HB THR A 25 11.696 -19.128 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.543 -20.593 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.407 -19.402 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.763 -17.745 -8.210 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.367 -18.108 -7.529 1.00 0.00 H new ATOM 378 N ARG A 26 10.796 -18.539 -4.137 1.00 0.00 N ATOM 379 CA ARG A 26 10.114 -18.941 -2.912 1.00 0.00 C ATOM 380 C ARG A 26 10.943 -19.962 -2.135 1.00 0.00 C ATOM 381 O ARG A 26 10.846 -20.052 -0.910 1.00 0.00 O ATOM 382 CB ARG A 26 8.734 -19.524 -3.237 1.00 0.00 C ATOM 383 CG ARG A 26 7.850 -18.588 -4.052 1.00 0.00 C ATOM 384 CD ARG A 26 6.499 -18.358 -3.387 1.00 0.00 C ATOM 385 NE ARG A 26 5.553 -17.701 -4.288 1.00 0.00 N ATOM 386 CZ ARG A 26 4.252 -17.566 -4.033 1.00 0.00 C ATOM 387 NH1 ARG A 26 3.734 -18.040 -2.907 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.466 -16.954 -4.910 1.00 0.00 N ATOM 0 H ARG A 26 10.282 -18.740 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 26 9.988 -18.055 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.864 -20.457 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.225 -19.771 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.357 -17.632 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.698 -19.007 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.087 -19.313 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.633 -17.748 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 26 5.911 -17.323 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.333 -18.512 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.737 -17.933 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.858 -16.588 -5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.470 -16.850 -4.716 1.00 0.00 H new ATOM 402 N ALA A 27 11.739 -20.749 -2.856 1.00 0.00 N ATOM 403 CA ALA A 27 12.562 -21.782 -2.234 1.00 0.00 C ATOM 404 C ALA A 27 13.864 -21.226 -1.654 1.00 0.00 C ATOM 405 O ALA A 27 14.745 -21.992 -1.260 1.00 0.00 O ATOM 406 CB ALA A 27 12.865 -22.882 -3.240 1.00 0.00 C ATOM 0 H ALA A 27 11.831 -20.691 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 27 11.990 -22.191 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.479 -23.648 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.932 -23.327 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.401 -22.460 -4.090 1.00 0.00 H new ATOM 412 N GLN A 28 14.004 -19.902 -1.624 1.00 0.00 N ATOM 413 CA GLN A 28 15.221 -19.269 -1.116 1.00 0.00 C ATOM 414 C GLN A 28 16.413 -19.567 -2.020 1.00 0.00 C ATOM 415 O GLN A 28 17.538 -19.749 -1.556 1.00 0.00 O ATOM 416 CB GLN A 28 15.521 -19.745 0.307 1.00 0.00 C ATOM 417 CG GLN A 28 14.320 -19.679 1.236 1.00 0.00 C ATOM 418 CD GLN A 28 14.672 -20.032 2.668 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.579 -20.825 2.919 1.00 0.00 O ATOM 420 NE2 GLN A 28 13.953 -19.441 3.615 1.00 0.00 N ATOM 0 H GLN A 28 13.291 -19.247 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 28 15.054 -18.192 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.884 -20.772 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.325 -19.138 0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.897 -18.675 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.549 -20.360 0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.210 -18.790 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.143 -19.638 4.598 1.00 0.00 H new ATOM 429 N GLN A 29 16.146 -19.579 -3.320 1.00 0.00 N ATOM 430 CA GLN A 29 17.173 -19.812 -4.326 1.00 0.00 C ATOM 431 C GLN A 29 17.255 -18.598 -5.243 1.00 0.00 C ATOM 432 O GLN A 29 16.229 -18.063 -5.651 1.00 0.00 O ATOM 433 CB GLN A 29 16.852 -21.072 -5.133 1.00 0.00 C ATOM 434 CG GLN A 29 16.962 -22.353 -4.323 1.00 0.00 C ATOM 435 CD GLN A 29 17.379 -23.543 -5.164 1.00 0.00 C ATOM 436 OE1 GLN A 29 18.356 -24.225 -4.855 1.00 0.00 O ATOM 437 NE2 GLN A 29 16.638 -23.798 -6.236 1.00 0.00 N ATOM 0 H GLN A 29 15.214 -19.428 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 29 18.135 -19.961 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.842 -20.990 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.529 -21.131 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.685 -22.209 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.002 -22.564 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.836 -23.206 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.870 -24.586 -6.841 1.00 0.00 H new ATOM 446 N PHE A 30 18.466 -18.147 -5.553 1.00 0.00 N ATOM 447 CA PHE A 30 18.634 -16.975 -6.408 1.00 0.00 C ATOM 448 C PHE A 30 18.785 -17.373 -7.872 1.00 0.00 C ATOM 449 O PHE A 30 19.658 -18.164 -8.226 1.00 0.00 O ATOM 450 CB PHE A 30 19.854 -16.164 -5.963 1.00 0.00 C ATOM 451 CG PHE A 30 19.597 -15.303 -4.758 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.748 -15.816 -3.480 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.201 -13.982 -4.905 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.510 -15.028 -2.370 1.00 0.00 C ATOM 455 CE2 PHE A 30 18.961 -13.190 -3.798 1.00 0.00 C ATOM 456 CZ PHE A 30 19.116 -13.713 -2.529 1.00 0.00 C ATOM 0 H PHE A 30 19.337 -18.569 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 30 17.738 -16.362 -6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.674 -16.848 -5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.180 -15.531 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.055 -16.843 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.079 -13.568 -5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.632 -15.440 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 30 18.652 -12.163 -3.925 1.00 0.00 H new ATOM 0 HZ PHE A 30 18.930 -13.095 -1.663 1.00 0.00 H new ATOM 466 N VAL A 31 17.926 -16.813 -8.719 1.00 0.00 N ATOM 467 CA VAL A 31 17.961 -17.103 -10.146 1.00 0.00 C ATOM 468 C VAL A 31 17.991 -15.813 -10.964 1.00 0.00 C ATOM 469 O VAL A 31 17.503 -14.773 -10.521 1.00 0.00 O ATOM 470 CB VAL A 31 16.751 -17.955 -10.579 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.916 -19.393 -10.109 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.457 -17.360 -10.046 1.00 0.00 C ATOM 0 H VAL A 31 17.198 -16.156 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 31 18.873 -17.670 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 31 16.702 -17.954 -11.668 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.053 -19.980 -10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.821 -19.817 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.992 -19.414 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.616 -17.976 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.493 -17.327 -8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.334 -16.349 -10.436 1.00 0.00 H new ATOM 482 N SER A 32 18.599 -15.878 -12.145 1.00 0.00 N ATOM 483 CA SER A 32 18.722 -14.705 -13.008 1.00 0.00 C ATOM 484 C SER A 32 17.378 -14.301 -13.613 1.00 0.00 C ATOM 485 O SER A 32 16.637 -15.135 -14.133 1.00 0.00 O ATOM 486 CB SER A 32 19.736 -14.974 -14.123 1.00 0.00 C ATOM 487 OG SER A 32 19.174 -15.777 -15.146 1.00 0.00 O ATOM 0 H SER A 32 19.014 -16.728 -12.527 1.00 0.00 H new ATOM 0 HA SER A 32 19.071 -13.878 -12.390 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.075 -14.028 -14.545 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.613 -15.471 -13.708 1.00 0.00 H new ATOM 0 HG SER A 32 19.843 -15.931 -15.845 1.00 0.00 H new ATOM 493 N THR A 33 17.084 -13.004 -13.542 1.00 0.00 N ATOM 494 CA THR A 33 15.841 -12.454 -14.075 1.00 0.00 C ATOM 495 C THR A 33 16.089 -11.076 -14.684 1.00 0.00 C ATOM 496 O THR A 33 17.105 -10.439 -14.403 1.00 0.00 O ATOM 497 CB THR A 33 14.782 -12.362 -12.976 1.00 0.00 C ATOM 498 OG1 THR A 33 13.591 -11.778 -13.474 1.00 0.00 O ATOM 499 CG2 THR A 33 15.229 -11.550 -11.781 1.00 0.00 C ATOM 0 H THR A 33 17.697 -12.309 -13.116 1.00 0.00 H new ATOM 0 HA THR A 33 15.475 -13.121 -14.855 1.00 0.00 H new ATOM 0 HB THR A 33 14.611 -13.389 -12.652 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.156 -12.400 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.431 -11.525 -11.039 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.117 -12.006 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.462 -10.533 -12.098 1.00 0.00 H new ATOM 507 N LYS A 34 15.170 -10.622 -15.528 1.00 0.00 N ATOM 508 CA LYS A 34 15.327 -9.330 -16.178 1.00 0.00 C ATOM 509 C LYS A 34 13.992 -8.607 -16.338 1.00 0.00 C ATOM 510 O LYS A 34 12.933 -9.229 -16.395 1.00 0.00 O ATOM 511 CB LYS A 34 15.984 -9.525 -17.547 1.00 0.00 C ATOM 512 CG LYS A 34 16.439 -8.233 -18.206 1.00 0.00 C ATOM 513 CD LYS A 34 16.858 -8.470 -19.649 1.00 0.00 C ATOM 514 CE LYS A 34 18.260 -9.056 -19.735 1.00 0.00 C ATOM 515 NZ LYS A 34 18.312 -10.248 -20.627 1.00 0.00 N ATOM 0 H LYS A 34 14.317 -11.124 -15.775 1.00 0.00 H new ATOM 0 HA LYS A 34 15.961 -8.709 -15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.844 -10.186 -17.435 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.279 -10.029 -18.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.632 -7.501 -18.174 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.274 -7.811 -17.647 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.150 -9.146 -20.128 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.822 -7.529 -20.198 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.949 -8.296 -20.105 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.598 -9.335 -18.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.284 -10.616 -20.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.674 -10.984 -20.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.014 -9.977 -21.586 1.00 0.00 H new ATOM 529 N ILE A 35 14.069 -7.283 -16.429 1.00 0.00 N ATOM 530 CA ILE A 35 12.894 -6.435 -16.601 1.00 0.00 C ATOM 531 C ILE A 35 13.196 -5.391 -17.671 1.00 0.00 C ATOM 532 O ILE A 35 14.205 -4.693 -17.589 1.00 0.00 O ATOM 533 CB ILE A 35 12.507 -5.743 -15.274 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.221 -4.928 -15.433 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.641 -4.860 -14.778 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.984 -5.656 -14.955 1.00 0.00 C ATOM 0 H ILE A 35 14.948 -6.767 -16.386 1.00 0.00 H new ATOM 0 HA ILE A 35 12.050 -7.053 -16.909 1.00 0.00 H new ATOM 0 HB ILE A 35 12.325 -6.520 -14.531 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.321 -3.995 -14.879 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.095 -4.664 -16.483 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.348 -4.382 -13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.530 -5.469 -14.612 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.859 -4.095 -15.523 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.110 -5.020 -15.097 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.860 -6.576 -15.526 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.089 -5.897 -13.897 1.00 0.00 H new ATOM 548 N ASN A 36 12.344 -5.297 -18.691 1.00 0.00 N ATOM 549 CA ASN A 36 12.565 -4.354 -19.783 1.00 0.00 C ATOM 550 C ASN A 36 11.971 -2.987 -19.458 1.00 0.00 C ATOM 551 O ASN A 36 10.761 -2.853 -19.286 1.00 0.00 O ATOM 552 CB ASN A 36 11.934 -4.901 -21.063 1.00 0.00 C ATOM 553 CG ASN A 36 12.525 -4.281 -22.312 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.094 -3.191 -22.268 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.393 -4.978 -23.436 1.00 0.00 N ATOM 0 H ASN A 36 11.498 -5.860 -18.783 1.00 0.00 H new ATOM 0 HA ASN A 36 13.639 -4.233 -19.922 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.071 -5.982 -21.098 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.860 -4.716 -21.043 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.772 -4.613 -24.310 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.913 -5.878 -23.425 1.00 0.00 H new ATOM 562 N LEU A 37 12.828 -1.978 -19.375 1.00 0.00 N ATOM 563 CA LEU A 37 12.381 -0.625 -19.062 1.00 0.00 C ATOM 564 C LEU A 37 11.978 0.150 -20.318 1.00 0.00 C ATOM 565 O LEU A 37 11.349 1.202 -20.222 1.00 0.00 O ATOM 566 CB LEU A 37 13.478 0.126 -18.304 1.00 0.00 C ATOM 567 CG LEU A 37 14.008 -0.599 -17.065 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.137 -1.549 -17.439 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.472 0.403 -16.017 1.00 0.00 C ATOM 0 H LEU A 37 13.834 -2.069 -19.519 1.00 0.00 H new ATOM 0 HA LEU A 37 11.495 -0.706 -18.432 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.310 0.311 -18.984 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.091 1.099 -18.002 1.00 0.00 H new ATOM 0 HG LEU A 37 13.196 -1.188 -16.639 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.499 -2.054 -16.544 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.769 -2.289 -18.150 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.952 -0.985 -17.892 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.846 -0.131 -15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.268 1.021 -16.432 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.635 1.037 -15.724 1.00 0.00 H new ATOM 581 N ASP A 38 12.371 -0.342 -21.492 1.00 0.00 N ATOM 582 CA ASP A 38 12.063 0.348 -22.742 1.00 0.00 C ATOM 583 C ASP A 38 10.552 0.538 -22.939 1.00 0.00 C ATOM 584 O ASP A 38 10.105 1.617 -23.328 1.00 0.00 O ATOM 585 CB ASP A 38 12.674 -0.404 -23.934 1.00 0.00 C ATOM 586 CG ASP A 38 11.794 -1.526 -24.457 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.250 -2.289 -23.632 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.652 -1.641 -25.692 1.00 0.00 O ATOM 0 H ASP A 38 12.899 -1.208 -21.603 1.00 0.00 H new ATOM 0 HA ASP A 38 12.508 1.341 -22.685 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.865 0.304 -24.741 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.638 -0.817 -23.637 1.00 0.00 H new ATOM 593 N ASP A 39 9.761 -0.492 -22.657 1.00 0.00 N ATOM 594 CA ASP A 39 8.308 -0.386 -22.799 1.00 0.00 C ATOM 595 C ASP A 39 7.657 0.052 -21.492 1.00 0.00 C ATOM 596 O ASP A 39 6.471 0.377 -21.463 1.00 0.00 O ATOM 597 CB ASP A 39 7.682 -1.697 -23.273 1.00 0.00 C ATOM 598 CG ASP A 39 8.522 -2.403 -24.318 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.659 -1.859 -25.435 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.041 -3.499 -24.021 1.00 0.00 O ATOM 0 H ASP A 39 10.093 -1.400 -22.333 1.00 0.00 H new ATOM 0 HA ASP A 39 8.124 0.373 -23.559 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.543 -2.358 -22.418 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.693 -1.495 -23.684 1.00 0.00 H new ATOM 605 N HIS A 40 8.429 0.066 -20.409 1.00 0.00 N ATOM 606 CA HIS A 40 7.908 0.476 -19.111 1.00 0.00 C ATOM 607 C HIS A 40 8.247 1.943 -18.872 1.00 0.00 C ATOM 608 O HIS A 40 7.359 2.790 -18.780 1.00 0.00 O ATOM 609 CB HIS A 40 8.493 -0.404 -18.001 1.00 0.00 C ATOM 610 CG HIS A 40 7.722 -1.672 -17.787 1.00 0.00 C ATOM 611 ND1 HIS A 40 8.111 -2.971 -17.831 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.370 -1.690 -17.509 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 6.998 -3.736 -17.583 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.962 -2.941 -17.393 1.00 0.00 N flip ATOM 0 H HIS A 40 9.413 -0.201 -20.405 1.00 0.00 H new ATOM 0 HA HIS A 40 6.825 0.356 -19.100 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.526 -0.651 -18.248 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.515 0.162 -17.070 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.054 -3.315 -18.014 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.743 -0.817 -17.403 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.974 -4.815 -17.549 1.00 0.00 H new ATOM 623 N ILE A 41 9.543 2.237 -18.803 1.00 0.00 N ATOM 624 CA ILE A 41 10.007 3.603 -18.612 1.00 0.00 C ATOM 625 C ILE A 41 9.989 4.365 -19.935 1.00 0.00 C ATOM 626 O ILE A 41 10.154 3.777 -21.003 1.00 0.00 O ATOM 627 CB ILE A 41 11.435 3.650 -18.028 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.568 2.693 -16.842 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.792 5.069 -17.610 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.617 2.998 -15.706 1.00 0.00 C ATOM 0 H ILE A 41 10.289 1.545 -18.877 1.00 0.00 H new ATOM 0 HA ILE A 41 9.326 4.072 -17.902 1.00 0.00 H new ATOM 0 HB ILE A 41 12.132 3.331 -18.803 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.393 1.674 -17.187 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.591 2.732 -16.468 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.802 5.084 -17.200 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.742 5.727 -18.477 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.088 5.413 -16.852 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.769 2.279 -14.901 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.806 4.005 -15.333 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.590 2.931 -16.064 1.00 0.00 H new ATOM 642 N ALA A 42 9.776 5.671 -19.848 1.00 0.00 N ATOM 643 CA ALA A 42 9.728 6.526 -21.038 1.00 0.00 C ATOM 644 C ALA A 42 10.426 7.861 -20.793 1.00 0.00 C ATOM 645 O ALA A 42 10.836 8.167 -19.672 1.00 0.00 O ATOM 646 CB ALA A 42 8.287 6.765 -21.460 1.00 0.00 C ATOM 0 H ALA A 42 9.633 6.167 -18.968 1.00 0.00 H new ATOM 0 HA ALA A 42 10.256 6.009 -21.839 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.268 7.401 -22.345 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.812 5.811 -21.689 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.747 7.254 -20.649 1.00 0.00 H new ATOM 652 N ASN A 43 10.579 8.638 -21.862 1.00 0.00 N ATOM 653 CA ASN A 43 11.247 9.935 -21.787 1.00 0.00 C ATOM 654 C ASN A 43 10.262 11.074 -22.042 1.00 0.00 C ATOM 655 O ASN A 43 9.819 11.286 -23.171 1.00 0.00 O ATOM 656 CB ASN A 43 12.385 9.986 -22.808 1.00 0.00 C ATOM 657 CG ASN A 43 13.119 11.309 -22.808 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.935 12.086 -23.869 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.843 11.628 -21.866 1.00 0.00 N flip ATOM 0 H ASN A 43 10.248 8.391 -22.795 1.00 0.00 H new ATOM 0 HA ASN A 43 11.653 10.058 -20.783 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.092 9.184 -22.596 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.982 9.800 -23.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.954 10.998 -21.072 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.333 12.523 -21.879 1.00 0.00 H new ATOM 666 N ILE A 44 9.928 11.804 -20.983 1.00 0.00 N ATOM 667 CA ILE A 44 8.998 12.924 -21.082 1.00 0.00 C ATOM 668 C ILE A 44 9.719 14.259 -20.894 1.00 0.00 C ATOM 669 O ILE A 44 9.865 14.746 -19.773 1.00 0.00 O ATOM 670 CB ILE A 44 7.865 12.793 -20.045 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.152 11.450 -20.213 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.876 13.943 -20.179 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.527 11.264 -21.579 1.00 0.00 C ATOM 0 H ILE A 44 10.289 11.640 -20.043 1.00 0.00 H new ATOM 0 HA ILE A 44 8.565 12.900 -22.082 1.00 0.00 H new ATOM 0 HB ILE A 44 8.301 12.836 -19.047 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.865 10.645 -20.036 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.376 11.362 -19.452 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.085 13.831 -19.438 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.393 14.889 -20.017 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.441 13.934 -21.178 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.039 10.290 -21.626 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.790 12.048 -21.752 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.301 11.320 -22.344 1.00 0.00 H new ATOM 685 N ASP A 45 10.173 14.841 -22.003 1.00 0.00 N ATOM 686 CA ASP A 45 10.885 16.119 -21.971 1.00 0.00 C ATOM 687 C ASP A 45 12.226 15.980 -21.258 1.00 0.00 C ATOM 688 O ASP A 45 12.636 16.863 -20.505 1.00 0.00 O ATOM 689 CB ASP A 45 10.035 17.190 -21.279 1.00 0.00 C ATOM 690 CG ASP A 45 10.484 18.596 -21.628 1.00 0.00 C ATOM 691 OD1 ASP A 45 10.003 19.137 -22.645 1.00 0.00 O ATOM 692 OD2 ASP A 45 11.317 19.155 -20.884 1.00 0.00 O ATOM 0 H ASP A 45 10.060 14.447 -22.937 1.00 0.00 H new ATOM 0 HA ASP A 45 11.071 16.424 -23.001 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.991 17.063 -21.565 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.089 17.051 -20.199 1.00 0.00 H new ATOM 697 N GLY A 46 12.906 14.865 -21.502 1.00 0.00 N ATOM 698 CA GLY A 46 14.195 14.631 -20.878 1.00 0.00 C ATOM 699 C GLY A 46 14.073 14.104 -19.460 1.00 0.00 C ATOM 700 O GLY A 46 15.082 13.877 -18.792 1.00 0.00 O ATOM 0 H GLY A 46 12.588 14.119 -22.121 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.761 13.919 -21.478 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.763 15.561 -20.868 1.00 0.00 H new ATOM 704 N THR A 47 12.841 13.907 -18.995 1.00 0.00 N ATOM 705 CA THR A 47 12.609 13.406 -17.646 1.00 0.00 C ATOM 706 C THR A 47 12.101 11.968 -17.670 1.00 0.00 C ATOM 707 O THR A 47 11.278 11.602 -18.509 1.00 0.00 O ATOM 708 CB THR A 47 11.603 14.295 -16.915 1.00 0.00 C ATOM 709 OG1 THR A 47 11.833 15.662 -17.209 1.00 0.00 O ATOM 710 CG2 THR A 47 11.647 14.136 -15.410 1.00 0.00 C ATOM 0 H THR A 47 11.992 14.086 -19.532 1.00 0.00 H new ATOM 0 HA THR A 47 13.561 13.426 -17.116 1.00 0.00 H new ATOM 0 HB THR A 47 10.624 13.974 -17.270 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.178 16.214 -16.733 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.909 14.795 -14.953 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.423 13.102 -15.147 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.641 14.396 -15.046 1.00 0.00 H new ATOM 718 N LEU A 48 12.628 11.151 -16.765 1.00 0.00 N ATOM 719 CA LEU A 48 12.258 9.742 -16.707 1.00 0.00 C ATOM 720 C LEU A 48 10.893 9.553 -16.053 1.00 0.00 C ATOM 721 O LEU A 48 10.696 9.849 -14.874 1.00 0.00 O ATOM 722 CB LEU A 48 13.315 8.952 -15.930 1.00 0.00 C ATOM 723 CG LEU A 48 14.622 8.696 -16.684 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.760 8.437 -15.706 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.463 7.524 -17.640 1.00 0.00 C ATOM 0 H LEU A 48 13.310 11.439 -16.064 1.00 0.00 H new ATOM 0 HA LEU A 48 12.202 9.369 -17.730 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.544 9.490 -15.010 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.888 7.992 -15.640 1.00 0.00 H new ATOM 0 HG LEU A 48 14.865 9.585 -17.266 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.682 8.257 -16.260 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.889 9.305 -15.059 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.525 7.563 -15.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.401 7.355 -18.168 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.197 6.629 -17.077 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.676 7.746 -18.361 1.00 0.00 H new ATOM 737 N LYS A 49 9.958 9.049 -16.854 1.00 0.00 N ATOM 738 CA LYS A 49 8.594 8.797 -16.413 1.00 0.00 C ATOM 739 C LYS A 49 8.106 7.457 -16.951 1.00 0.00 C ATOM 740 O LYS A 49 8.692 6.907 -17.883 1.00 0.00 O ATOM 741 CB LYS A 49 7.659 9.913 -16.879 1.00 0.00 C ATOM 742 CG LYS A 49 8.202 11.308 -16.630 1.00 0.00 C ATOM 743 CD LYS A 49 7.081 12.331 -16.556 1.00 0.00 C ATOM 744 CE LYS A 49 7.616 13.729 -16.297 1.00 0.00 C ATOM 745 NZ LYS A 49 6.517 14.712 -16.093 1.00 0.00 N ATOM 0 H LYS A 49 10.128 8.804 -17.829 1.00 0.00 H new ATOM 0 HA LYS A 49 8.588 8.770 -15.323 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.467 9.792 -17.945 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.701 9.809 -16.369 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.769 11.319 -15.699 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.893 11.580 -17.428 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.518 12.323 -17.490 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.386 12.054 -15.763 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.259 13.715 -15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.234 14.044 -17.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.922 15.654 -15.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.918 14.744 -16.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.943 14.426 -15.275 1.00 0.00 H new ATOM 759 N TRP A 50 7.040 6.930 -16.363 1.00 0.00 N ATOM 760 CA TRP A 50 6.496 5.643 -16.789 1.00 0.00 C ATOM 761 C TRP A 50 5.502 5.802 -17.943 1.00 0.00 C ATOM 762 O TRP A 50 4.506 6.514 -17.825 1.00 0.00 O ATOM 763 CB TRP A 50 5.827 4.939 -15.607 1.00 0.00 C ATOM 764 CG TRP A 50 6.821 4.268 -14.712 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.493 3.109 -14.965 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.272 4.724 -13.433 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.346 2.823 -13.929 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.225 3.797 -12.974 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.970 5.828 -12.634 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.873 3.939 -11.752 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.615 5.967 -11.420 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.558 5.028 -10.990 1.00 0.00 C ATOM 0 H TRP A 50 6.535 7.370 -15.593 1.00 0.00 H new ATOM 0 HA TRP A 50 7.325 5.034 -17.150 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.254 5.665 -15.031 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.119 4.199 -15.980 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.372 2.504 -15.852 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.969 2.017 -13.878 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.245 6.560 -12.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.600 3.214 -11.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.387 6.816 -10.792 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.047 5.167 -10.037 1.00 0.00 H new ATOM 783 N GLN A 51 5.790 5.126 -19.058 1.00 0.00 N ATOM 784 CA GLN A 51 4.938 5.175 -20.251 1.00 0.00 C ATOM 785 C GLN A 51 5.419 4.156 -21.283 1.00 0.00 C ATOM 786 O GLN A 51 6.610 3.856 -21.351 1.00 0.00 O ATOM 787 CB GLN A 51 4.965 6.573 -20.878 1.00 0.00 C ATOM 788 CG GLN A 51 3.958 7.542 -20.284 1.00 0.00 C ATOM 789 CD GLN A 51 3.094 8.206 -21.340 1.00 0.00 C ATOM 790 OE1 GLN A 51 3.566 9.042 -22.111 1.00 0.00 O ATOM 791 NE2 GLN A 51 1.819 7.835 -21.379 1.00 0.00 N ATOM 0 H GLN A 51 6.614 4.533 -19.160 1.00 0.00 H new ATOM 0 HA GLN A 51 3.918 4.938 -19.948 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.965 6.991 -20.764 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.778 6.483 -21.948 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.319 7.010 -19.579 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.487 8.309 -19.718 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.470 7.138 -20.721 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.189 8.247 -22.067 1.00 0.00 H new ATOM 800 N PRO A 52 4.504 3.602 -22.105 1.00 0.00 N ATOM 801 CA PRO A 52 4.873 2.614 -23.121 1.00 0.00 C ATOM 802 C PRO A 52 5.642 3.235 -24.281 1.00 0.00 C ATOM 803 O PRO A 52 5.185 3.246 -25.425 1.00 0.00 O ATOM 804 CB PRO A 52 3.534 2.046 -23.582 1.00 0.00 C ATOM 805 CG PRO A 52 2.539 3.122 -23.302 1.00 0.00 C ATOM 806 CD PRO A 52 3.057 3.890 -22.109 1.00 0.00 C ATOM 0 HA PRO A 52 5.544 1.852 -22.724 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.556 1.796 -24.643 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.287 1.131 -23.043 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.425 3.778 -24.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.557 2.697 -23.093 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.862 4.958 -22.206 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.581 3.562 -21.185 1.00 0.00 H new ATOM 814 N SER A 53 6.826 3.733 -23.957 1.00 0.00 N ATOM 815 CA SER A 53 7.726 4.351 -24.922 1.00 0.00 C ATOM 816 C SER A 53 9.140 4.291 -24.359 1.00 0.00 C ATOM 817 O SER A 53 9.347 4.559 -23.178 1.00 0.00 O ATOM 818 CB SER A 53 7.313 5.799 -25.205 1.00 0.00 C ATOM 819 OG SER A 53 6.897 6.453 -24.019 1.00 0.00 O ATOM 0 H SER A 53 7.194 3.720 -23.006 1.00 0.00 H new ATOM 0 HA SER A 53 7.680 3.813 -25.869 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.150 6.339 -25.647 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.503 5.813 -25.935 1.00 0.00 H new ATOM 0 HG SER A 53 6.641 7.376 -24.227 1.00 0.00 H new ATOM 825 N ASN A 54 10.103 3.892 -25.180 1.00 0.00 N ATOM 826 CA ASN A 54 11.485 3.751 -24.713 1.00 0.00 C ATOM 827 C ASN A 54 12.230 5.079 -24.672 1.00 0.00 C ATOM 828 O ASN A 54 12.573 5.652 -25.706 1.00 0.00 O ATOM 829 CB ASN A 54 12.261 2.759 -25.588 1.00 0.00 C ATOM 830 CG ASN A 54 11.383 1.678 -26.200 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.250 1.457 -25.770 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.908 0.996 -27.211 1.00 0.00 N ATOM 0 H ASN A 54 9.960 3.661 -26.163 1.00 0.00 H new ATOM 0 HA ASN A 54 11.423 3.371 -23.693 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.762 3.305 -26.387 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.039 2.288 -24.988 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.369 0.257 -27.662 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.850 1.211 -27.536 1.00 0.00 H new ATOM 839 N PHE A 55 12.503 5.540 -23.456 1.00 0.00 N ATOM 840 CA PHE A 55 13.237 6.780 -23.239 1.00 0.00 C ATOM 841 C PHE A 55 14.515 6.812 -24.081 1.00 0.00 C ATOM 842 O PHE A 55 14.980 7.874 -24.490 1.00 0.00 O ATOM 843 CB PHE A 55 13.583 6.922 -21.753 1.00 0.00 C ATOM 844 CG PHE A 55 14.369 5.764 -21.204 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.721 4.646 -20.703 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.754 5.790 -21.196 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.440 3.576 -20.205 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.478 4.723 -20.699 1.00 0.00 C ATOM 849 CZ PHE A 55 15.820 3.614 -20.203 1.00 0.00 C ATOM 0 H PHE A 55 12.223 5.067 -22.597 1.00 0.00 H new ATOM 0 HA PHE A 55 12.607 7.615 -23.546 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.154 7.839 -21.608 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.660 7.027 -21.182 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.642 4.611 -20.702 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.274 6.654 -21.583 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.923 2.711 -19.818 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.557 4.756 -20.698 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.384 2.779 -19.815 1.00 0.00 H new ATOM 859 N SER A 56 15.075 5.627 -24.328 1.00 0.00 N ATOM 860 CA SER A 56 16.312 5.483 -25.100 1.00 0.00 C ATOM 861 C SER A 56 16.285 6.253 -26.423 1.00 0.00 C ATOM 862 O SER A 56 17.334 6.498 -27.019 1.00 0.00 O ATOM 863 CB SER A 56 16.589 4.006 -25.380 1.00 0.00 C ATOM 864 OG SER A 56 15.467 3.379 -25.975 1.00 0.00 O ATOM 0 H SER A 56 14.686 4.743 -24.000 1.00 0.00 H new ATOM 0 HA SER A 56 17.109 5.910 -24.491 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.452 3.914 -26.039 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.842 3.498 -24.450 1.00 0.00 H new ATOM 0 HG SER A 56 15.671 2.436 -26.145 1.00 0.00 H new ATOM 870 N GLN A 57 15.097 6.626 -26.892 1.00 0.00 N ATOM 871 CA GLN A 57 14.983 7.347 -28.157 1.00 0.00 C ATOM 872 C GLN A 57 15.701 8.694 -28.091 1.00 0.00 C ATOM 873 O GLN A 57 16.174 9.202 -29.109 1.00 0.00 O ATOM 874 CB GLN A 57 13.511 7.558 -28.526 1.00 0.00 C ATOM 875 CG GLN A 57 12.774 6.271 -28.863 1.00 0.00 C ATOM 876 CD GLN A 57 11.667 6.480 -29.879 1.00 0.00 C ATOM 877 OE1 GLN A 57 10.486 6.502 -29.531 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.043 6.634 -31.143 1.00 0.00 N ATOM 0 H GLN A 57 14.210 6.444 -26.422 1.00 0.00 H new ATOM 0 HA GLN A 57 15.459 6.741 -28.928 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.004 8.049 -27.695 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.453 8.234 -29.379 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.485 5.541 -29.251 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.350 5.850 -27.951 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.033 6.609 -31.387 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.342 6.777 -31.870 1.00 0.00 H new ATOM 887 N THR A 58 15.791 9.268 -26.894 1.00 0.00 N ATOM 888 CA THR A 58 16.464 10.555 -26.720 1.00 0.00 C ATOM 889 C THR A 58 17.506 10.502 -25.602 1.00 0.00 C ATOM 890 O THR A 58 18.173 11.499 -25.325 1.00 0.00 O ATOM 891 CB THR A 58 15.453 11.657 -26.392 1.00 0.00 C ATOM 892 OG1 THR A 58 15.112 11.622 -25.019 1.00 0.00 O ATOM 893 CG2 THR A 58 14.162 11.558 -27.174 1.00 0.00 C ATOM 0 H THR A 58 15.411 8.868 -26.036 1.00 0.00 H new ATOM 0 HA THR A 58 16.965 10.777 -27.662 1.00 0.00 H new ATOM 0 HB THR A 58 15.951 12.587 -26.666 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.228 12.025 -24.891 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.498 12.373 -26.885 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.377 11.625 -28.241 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.679 10.604 -26.960 1.00 0.00 H new ATOM 901 N CYS A 59 17.627 9.355 -24.940 1.00 0.00 N ATOM 902 CA CYS A 59 18.572 9.216 -23.837 1.00 0.00 C ATOM 903 C CYS A 59 19.759 8.334 -24.207 1.00 0.00 C ATOM 904 O CYS A 59 19.643 7.421 -25.025 1.00 0.00 O ATOM 905 CB CYS A 59 17.866 8.634 -22.611 1.00 0.00 C ATOM 906 SG CYS A 59 16.218 9.341 -22.291 1.00 0.00 S ATOM 0 H CYS A 59 17.087 8.514 -25.146 1.00 0.00 H new ATOM 0 HA CYS A 59 18.953 10.212 -23.610 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.768 7.556 -22.740 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.494 8.794 -21.734 1.00 0.00 H new ATOM 911 N TYR A 60 20.908 8.629 -23.599 1.00 0.00 N ATOM 912 CA TYR A 60 22.135 7.875 -23.846 1.00 0.00 C ATOM 913 C TYR A 60 22.921 7.702 -22.548 1.00 0.00 C ATOM 914 O TYR A 60 22.738 8.462 -21.595 1.00 0.00 O ATOM 915 CB TYR A 60 23.003 8.576 -24.897 1.00 0.00 C ATOM 916 CG TYR A 60 23.426 9.978 -24.515 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.496 11.007 -24.435 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.755 10.273 -24.240 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.879 12.289 -24.091 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.146 11.553 -23.895 1.00 0.00 C ATOM 921 CZ TYR A 60 24.204 12.557 -23.822 1.00 0.00 C ATOM 922 OH TYR A 60 24.589 13.833 -23.479 1.00 0.00 O ATOM 0 H TYR A 60 21.014 9.390 -22.928 1.00 0.00 H new ATOM 0 HA TYR A 60 21.859 6.892 -24.227 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.895 7.975 -25.075 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.453 8.618 -25.837 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.457 10.801 -24.645 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.496 9.489 -24.297 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.143 13.078 -24.033 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.184 11.765 -23.684 1.00 0.00 H new ATOM 0 HH TYR A 60 24.003 14.482 -23.922 1.00 0.00 H new ATOM 932 N ASN A 61 23.774 6.682 -22.510 1.00 0.00 N ATOM 933 CA ASN A 61 24.576 6.392 -21.324 1.00 0.00 C ATOM 934 C ASN A 61 23.684 6.006 -20.146 1.00 0.00 C ATOM 935 O ASN A 61 23.844 6.516 -19.037 1.00 0.00 O ATOM 936 CB ASN A 61 25.446 7.598 -20.954 1.00 0.00 C ATOM 937 CG ASN A 61 26.608 7.788 -21.910 1.00 0.00 C ATOM 938 OD1 ASN A 61 27.024 6.853 -22.594 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.140 9.004 -21.960 1.00 0.00 N ATOM 0 H ASN A 61 23.928 6.041 -23.288 1.00 0.00 H new ATOM 0 HA ASN A 61 25.227 5.549 -21.555 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.831 8.498 -20.950 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.829 7.469 -19.942 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.925 9.192 -22.583 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.763 9.750 -21.375 1.00 0.00 H new ATOM 946 N SER A 62 22.741 5.103 -20.401 1.00 0.00 N ATOM 947 CA SER A 62 21.825 4.641 -19.366 1.00 0.00 C ATOM 948 C SER A 62 22.555 3.780 -18.343 1.00 0.00 C ATOM 949 O SER A 62 23.352 2.912 -18.700 1.00 0.00 O ATOM 950 CB SER A 62 20.670 3.856 -19.992 1.00 0.00 C ATOM 951 OG SER A 62 19.809 4.710 -20.726 1.00 0.00 O ATOM 0 H SER A 62 22.592 4.678 -21.316 1.00 0.00 H new ATOM 0 HA SER A 62 21.420 5.513 -18.853 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.067 3.083 -20.650 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.104 3.350 -19.210 1.00 0.00 H new ATOM 0 HG SER A 62 19.336 4.189 -21.408 1.00 0.00 H new ATOM 957 N ALA A 63 22.277 4.029 -17.067 1.00 0.00 N ATOM 958 CA ALA A 63 22.909 3.277 -15.988 1.00 0.00 C ATOM 959 C ALA A 63 21.938 3.007 -14.845 1.00 0.00 C ATOM 960 O ALA A 63 20.994 3.765 -14.624 1.00 0.00 O ATOM 961 CB ALA A 63 24.126 4.024 -15.469 1.00 0.00 C ATOM 0 H ALA A 63 21.620 4.744 -16.755 1.00 0.00 H new ATOM 0 HA ALA A 63 23.221 2.316 -16.396 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.588 3.452 -14.664 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.844 4.157 -16.278 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.820 5.000 -15.091 1.00 0.00 H new ATOM 967 N ILE A 64 22.174 1.917 -14.123 1.00 0.00 N ATOM 968 CA ILE A 64 21.316 1.547 -13.009 1.00 0.00 C ATOM 969 C ILE A 64 22.119 1.226 -11.752 1.00 0.00 C ATOM 970 O ILE A 64 23.169 0.587 -11.811 1.00 0.00 O ATOM 971 CB ILE A 64 20.420 0.353 -13.382 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.398 0.815 -14.420 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.717 -0.216 -12.154 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.425 -0.254 -14.836 1.00 0.00 C ATOM 0 H ILE A 64 22.951 1.277 -14.290 1.00 0.00 H new ATOM 0 HA ILE A 64 20.686 2.410 -12.791 1.00 0.00 H new ATOM 0 HB ILE A 64 21.038 -0.443 -13.798 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.842 1.661 -14.016 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.928 1.173 -15.303 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.092 -1.058 -12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.461 -0.553 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.095 0.556 -11.700 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.733 0.151 -15.574 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.969 -1.092 -15.271 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.867 -0.597 -13.965 1.00 0.00 H new ATOM 986 N GLN A 65 21.594 1.666 -10.615 1.00 0.00 N ATOM 987 CA GLN A 65 22.223 1.431 -9.322 1.00 0.00 C ATOM 988 C GLN A 65 21.161 1.016 -8.315 1.00 0.00 C ATOM 989 O GLN A 65 20.310 1.819 -7.931 1.00 0.00 O ATOM 990 CB GLN A 65 22.944 2.691 -8.838 1.00 0.00 C ATOM 991 CG GLN A 65 23.927 3.254 -9.850 1.00 0.00 C ATOM 992 CD GLN A 65 24.865 4.279 -9.244 1.00 0.00 C ATOM 993 OE1 GLN A 65 26.036 3.995 -8.995 1.00 0.00 O ATOM 994 NE2 GLN A 65 24.352 5.481 -9.003 1.00 0.00 N ATOM 0 H GLN A 65 20.723 2.194 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 65 22.960 0.634 -9.424 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.204 3.454 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.476 2.463 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.512 2.438 -10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.375 3.712 -10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 65 23.375 5.673 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 65 24.935 6.212 -8.596 1.00 0.00 H new ATOM 1003 N GLY A 66 21.192 -0.248 -7.913 1.00 0.00 N ATOM 1004 CA GLY A 66 20.200 -0.743 -6.981 1.00 0.00 C ATOM 1005 C GLY A 66 18.822 -0.752 -7.611 1.00 0.00 C ATOM 1006 O GLY A 66 18.602 -1.430 -8.613 1.00 0.00 O ATOM 0 H GLY A 66 21.883 -0.935 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.465 -1.751 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.192 -0.119 -6.087 1.00 0.00 H new ATOM 1010 N SER A 67 17.887 -0.013 -7.025 1.00 0.00 N ATOM 1011 CA SER A 67 16.527 0.035 -7.549 1.00 0.00 C ATOM 1012 C SER A 67 16.260 1.319 -8.335 1.00 0.00 C ATOM 1013 O SER A 67 15.180 1.485 -8.901 1.00 0.00 O ATOM 1014 CB SER A 67 15.519 -0.084 -6.407 1.00 0.00 C ATOM 1015 OG SER A 67 15.369 1.150 -5.727 1.00 0.00 O ATOM 0 H SER A 67 18.043 0.557 -6.194 1.00 0.00 H new ATOM 0 HA SER A 67 16.414 -0.806 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.555 -0.405 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.848 -0.851 -5.706 1.00 0.00 H new ATOM 0 HG SER A 67 14.690 1.692 -6.179 1.00 0.00 H new ATOM 1021 N VAL A 68 17.236 2.223 -8.381 1.00 0.00 N ATOM 1022 CA VAL A 68 17.069 3.480 -9.110 1.00 0.00 C ATOM 1023 C VAL A 68 17.776 3.449 -10.465 1.00 0.00 C ATOM 1024 O VAL A 68 18.905 2.971 -10.581 1.00 0.00 O ATOM 1025 CB VAL A 68 17.591 4.682 -8.298 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.110 5.987 -8.913 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.150 4.580 -6.845 1.00 0.00 C ATOM 0 H VAL A 68 18.143 2.112 -7.927 1.00 0.00 H new ATOM 0 HA VAL A 68 15.998 3.597 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 68 18.681 4.669 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.487 6.826 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.477 6.064 -9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.020 6.008 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.529 5.438 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.061 4.567 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.544 3.662 -6.409 1.00 0.00 H new ATOM 1037 N LEU A 69 17.097 3.962 -11.487 1.00 0.00 N ATOM 1038 CA LEU A 69 17.645 4.005 -12.838 1.00 0.00 C ATOM 1039 C LEU A 69 18.153 5.411 -13.160 1.00 0.00 C ATOM 1040 O LEU A 69 17.419 6.392 -13.033 1.00 0.00 O ATOM 1041 CB LEU A 69 16.569 3.569 -13.844 1.00 0.00 C ATOM 1042 CG LEU A 69 16.784 4.005 -15.299 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.177 3.630 -15.783 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.720 3.386 -16.196 1.00 0.00 C ATOM 0 H LEU A 69 16.160 4.356 -11.403 1.00 0.00 H new ATOM 0 HA LEU A 69 18.488 3.318 -12.907 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.498 2.482 -13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.608 3.959 -13.508 1.00 0.00 H new ATOM 0 HG LEU A 69 16.695 5.090 -15.347 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.302 3.951 -16.817 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.924 4.121 -15.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.305 2.549 -15.721 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.883 3.703 -17.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.781 2.299 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.733 3.712 -15.868 1.00 0.00 H new ATOM 1056 N THR A 70 19.417 5.508 -13.567 1.00 0.00 N ATOM 1057 CA THR A 70 20.018 6.794 -13.901 1.00 0.00 C ATOM 1058 C THR A 70 20.380 6.836 -15.380 1.00 0.00 C ATOM 1059 O THR A 70 21.063 5.945 -15.882 1.00 0.00 O ATOM 1060 CB THR A 70 21.271 7.021 -13.051 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.005 6.759 -11.685 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.818 8.428 -13.149 1.00 0.00 C ATOM 0 H THR A 70 20.044 4.710 -13.673 1.00 0.00 H new ATOM 0 HA THR A 70 19.297 7.584 -13.692 1.00 0.00 H new ATOM 0 HB THR A 70 22.016 6.332 -13.449 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.818 6.908 -11.159 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.705 8.518 -12.522 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.082 8.644 -14.184 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.062 9.137 -12.812 1.00 0.00 H new ATOM 1070 N SER A 71 19.907 7.856 -16.088 1.00 0.00 N ATOM 1071 CA SER A 71 20.182 7.969 -17.519 1.00 0.00 C ATOM 1072 C SER A 71 20.184 9.425 -17.979 1.00 0.00 C ATOM 1073 O SER A 71 19.519 10.274 -17.386 1.00 0.00 O ATOM 1074 CB SER A 71 19.155 7.165 -18.316 1.00 0.00 C ATOM 1075 OG SER A 71 19.170 7.532 -19.684 1.00 0.00 O ATOM 0 H SER A 71 19.338 8.609 -15.702 1.00 0.00 H new ATOM 0 HA SER A 71 21.177 7.563 -17.700 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.368 6.100 -18.220 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.160 7.330 -17.903 1.00 0.00 H new ATOM 0 HG SER A 71 19.351 6.741 -20.233 1.00 0.00 H new ATOM 1081 N THR A 72 20.922 9.705 -19.053 1.00 0.00 N ATOM 1082 CA THR A 72 20.984 11.053 -19.603 1.00 0.00 C ATOM 1083 C THR A 72 19.971 11.187 -20.738 1.00 0.00 C ATOM 1084 O THR A 72 19.967 10.382 -21.668 1.00 0.00 O ATOM 1085 CB THR A 72 22.396 11.346 -20.118 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.370 10.837 -19.224 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.675 12.821 -20.309 1.00 0.00 C ATOM 0 H THR A 72 21.482 9.017 -19.556 1.00 0.00 H new ATOM 0 HA THR A 72 20.743 11.773 -18.821 1.00 0.00 H new ATOM 0 HB THR A 72 22.454 10.856 -21.090 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.266 11.032 -19.570 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.693 12.954 -20.675 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.972 13.234 -21.033 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.561 13.339 -19.357 1.00 0.00 H new ATOM 1095 N CYS A 73 19.099 12.189 -20.656 1.00 0.00 N ATOM 1096 CA CYS A 73 18.076 12.374 -21.681 1.00 0.00 C ATOM 1097 C CYS A 73 18.082 13.774 -22.276 1.00 0.00 C ATOM 1098 O CYS A 73 18.288 14.766 -21.577 1.00 0.00 O ATOM 1099 CB CYS A 73 16.692 12.083 -21.103 1.00 0.00 C ATOM 1100 SG CYS A 73 16.460 10.362 -20.555 1.00 0.00 S ATOM 0 H CYS A 73 19.079 12.876 -19.902 1.00 0.00 H new ATOM 0 HA CYS A 73 18.310 11.673 -22.482 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.516 12.749 -20.258 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.939 12.318 -21.856 1.00 0.00 H new ATOM 1105 N GLU A 74 17.790 13.838 -23.571 1.00 0.00 N ATOM 1106 CA GLU A 74 17.711 15.106 -24.287 1.00 0.00 C ATOM 1107 C GLU A 74 16.428 15.848 -23.915 1.00 0.00 C ATOM 1108 O GLU A 74 15.361 15.240 -23.819 1.00 0.00 O ATOM 1109 CB GLU A 74 17.763 14.866 -25.798 1.00 0.00 C ATOM 1110 CG GLU A 74 17.923 16.139 -26.614 1.00 0.00 C ATOM 1111 CD GLU A 74 17.080 16.132 -27.875 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.056 15.092 -28.567 1.00 0.00 O ATOM 1113 OE2 GLU A 74 16.443 17.165 -28.170 1.00 0.00 O ATOM 0 H GLU A 74 17.603 13.019 -24.150 1.00 0.00 H new ATOM 0 HA GLU A 74 18.565 15.720 -24.000 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.592 14.195 -26.022 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.849 14.359 -26.108 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.646 16.997 -26.001 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.972 16.265 -26.883 1.00 0.00 H new ATOM 1120 N ARG A 75 16.528 17.156 -23.707 1.00 0.00 N ATOM 1121 CA ARG A 75 15.365 17.960 -23.350 1.00 0.00 C ATOM 1122 C ARG A 75 14.706 18.535 -24.600 1.00 0.00 C ATOM 1123 O ARG A 75 15.388 18.910 -25.553 1.00 0.00 O ATOM 1124 CB ARG A 75 15.773 19.089 -22.402 1.00 0.00 C ATOM 1125 CG ARG A 75 16.697 18.633 -21.284 1.00 0.00 C ATOM 1126 CD ARG A 75 17.044 19.775 -20.343 1.00 0.00 C ATOM 1127 NE ARG A 75 17.430 20.987 -21.064 1.00 0.00 N ATOM 1128 CZ ARG A 75 18.603 21.147 -21.672 1.00 0.00 C ATOM 1129 NH1 ARG A 75 19.493 20.162 -21.682 1.00 0.00 N ATOM 1130 NH2 ARG A 75 18.885 22.292 -22.277 1.00 0.00 N ATOM 0 H ARG A 75 17.400 17.681 -23.779 1.00 0.00 H new ATOM 0 HA ARG A 75 14.644 17.318 -22.844 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.267 19.874 -22.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.876 19.529 -21.966 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.220 17.830 -20.722 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.612 18.223 -21.712 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.187 19.991 -19.705 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.860 19.469 -19.688 1.00 0.00 H new ATOM 0 HE ARG A 75 16.761 21.756 -21.103 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.279 19.277 -21.222 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.390 20.290 -22.150 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.203 23.051 -22.277 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.784 22.415 -22.743 1.00 0.00 H new ATOM 1144 N THR A 76 13.375 18.591 -24.598 1.00 0.00 N ATOM 1145 CA THR A 76 12.630 19.109 -25.744 1.00 0.00 C ATOM 1146 C THR A 76 13.135 20.486 -26.167 1.00 0.00 C ATOM 1147 O THR A 76 13.016 20.867 -27.332 1.00 0.00 O ATOM 1148 CB THR A 76 11.136 19.182 -25.421 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.679 17.957 -24.876 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.281 19.494 -26.629 1.00 0.00 C ATOM 0 H THR A 76 12.792 18.285 -23.819 1.00 0.00 H new ATOM 0 HA THR A 76 12.787 18.420 -26.574 1.00 0.00 H new ATOM 0 HB THR A 76 11.034 19.995 -24.702 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.080 18.138 -24.121 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.233 19.532 -26.333 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.576 20.458 -27.044 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.418 18.718 -27.382 1.00 0.00 H new ATOM 1158 N ASN A 77 13.698 21.231 -25.221 1.00 0.00 N ATOM 1159 CA ASN A 77 14.218 22.563 -25.510 1.00 0.00 C ATOM 1160 C ASN A 77 15.630 22.496 -26.095 1.00 0.00 C ATOM 1161 O ASN A 77 16.247 23.526 -26.368 1.00 0.00 O ATOM 1162 CB ASN A 77 14.220 23.417 -24.242 1.00 0.00 C ATOM 1163 CG ASN A 77 14.225 24.903 -24.544 1.00 0.00 C ATOM 1164 OD1 ASN A 77 14.380 25.313 -25.694 1.00 0.00 O ATOM 1165 ND2 ASN A 77 14.053 25.718 -23.510 1.00 0.00 N ATOM 0 H ASN A 77 13.806 20.936 -24.250 1.00 0.00 H new ATOM 0 HA ASN A 77 13.565 23.021 -26.252 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.343 23.174 -23.643 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.095 23.168 -23.642 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.046 26.728 -23.652 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.928 25.334 -22.573 1.00 0.00 H new ATOM 1172 N GLY A 78 16.137 21.281 -26.285 1.00 0.00 N ATOM 1173 CA GLY A 78 17.469 21.107 -26.832 1.00 0.00 C ATOM 1174 C GLY A 78 18.525 20.998 -25.758 1.00 0.00 C ATOM 1175 O GLY A 78 18.531 21.759 -24.791 1.00 0.00 O ATOM 0 H GLY A 78 15.647 20.413 -26.069 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.490 20.210 -27.450 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.704 21.949 -27.484 1.00 0.00 H new ATOM 1179 N GLY A 79 19.398 20.025 -25.924 1.00 0.00 N ATOM 1180 CA GLY A 79 20.451 19.782 -24.956 1.00 0.00 C ATOM 1181 C GLY A 79 20.292 18.425 -24.305 1.00 0.00 C ATOM 1182 O GLY A 79 19.462 17.633 -24.744 1.00 0.00 O ATOM 0 H GLY A 79 19.400 19.388 -26.721 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.422 19.841 -25.448 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.433 20.559 -24.192 1.00 0.00 H new ATOM 1186 N TYR A 80 21.081 18.149 -23.270 1.00 0.00 N ATOM 1187 CA TYR A 80 21.002 16.862 -22.577 1.00 0.00 C ATOM 1188 C TYR A 80 20.944 17.049 -21.063 1.00 0.00 C ATOM 1189 O TYR A 80 21.571 17.953 -20.510 1.00 0.00 O ATOM 1190 CB TYR A 80 22.199 15.980 -22.940 1.00 0.00 C ATOM 1191 CG TYR A 80 22.438 15.864 -24.427 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.535 15.196 -25.244 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.561 16.429 -25.014 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.746 15.097 -26.605 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.780 16.332 -26.374 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.869 15.667 -27.165 1.00 0.00 C ATOM 1197 OH TYR A 80 23.082 15.572 -28.521 1.00 0.00 O ATOM 0 H TYR A 80 21.778 18.792 -22.893 1.00 0.00 H new ATOM 0 HA TYR A 80 20.083 16.372 -22.901 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.094 16.385 -22.467 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.043 14.983 -22.527 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.655 14.747 -24.808 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.276 16.953 -24.397 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.034 14.575 -27.228 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.661 16.775 -26.815 1.00 0.00 H new ATOM 0 HH TYR A 80 23.918 16.028 -28.754 1.00 0.00 H new ATOM 1207 N ASN A 81 20.180 16.182 -20.405 1.00 0.00 N ATOM 1208 CA ASN A 81 20.025 16.229 -18.956 1.00 0.00 C ATOM 1209 C ASN A 81 19.664 14.846 -18.418 1.00 0.00 C ATOM 1210 O ASN A 81 18.781 14.176 -18.951 1.00 0.00 O ATOM 1211 CB ASN A 81 18.947 17.242 -18.565 1.00 0.00 C ATOM 1212 CG ASN A 81 18.808 17.389 -17.063 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.802 17.466 -16.341 1.00 0.00 O ATOM 1214 ND2 ASN A 81 17.571 17.426 -16.583 1.00 0.00 N ATOM 0 H ASN A 81 19.655 15.433 -20.857 1.00 0.00 H new ATOM 0 HA ASN A 81 20.973 16.542 -18.518 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.188 18.211 -19.001 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.991 16.932 -18.987 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.416 17.522 -15.579 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.775 17.359 -17.218 1.00 0.00 H new ATOM 1221 N THR A 82 20.358 14.421 -17.369 1.00 0.00 N ATOM 1222 CA THR A 82 20.113 13.113 -16.767 1.00 0.00 C ATOM 1223 C THR A 82 19.143 13.215 -15.598 1.00 0.00 C ATOM 1224 O THR A 82 19.272 14.094 -14.745 1.00 0.00 O ATOM 1225 CB THR A 82 21.423 12.465 -16.316 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.167 11.346 -15.486 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.329 13.404 -15.553 1.00 0.00 C ATOM 0 H THR A 82 21.095 14.962 -16.917 1.00 0.00 H new ATOM 0 HA THR A 82 19.659 12.481 -17.530 1.00 0.00 H new ATOM 0 HB THR A 82 21.929 12.170 -17.235 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.446 10.808 -15.875 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.239 12.878 -15.265 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.586 14.254 -16.184 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.816 13.758 -14.659 1.00 0.00 H new ATOM 1235 N SER A 83 18.172 12.306 -15.561 1.00 0.00 N ATOM 1236 CA SER A 83 17.177 12.278 -14.499 1.00 0.00 C ATOM 1237 C SER A 83 17.225 10.939 -13.763 1.00 0.00 C ATOM 1238 O SER A 83 17.721 9.942 -14.297 1.00 0.00 O ATOM 1239 CB SER A 83 15.778 12.511 -15.074 1.00 0.00 C ATOM 1240 OG SER A 83 15.288 11.345 -15.713 1.00 0.00 O ATOM 0 H SER A 83 18.055 11.574 -16.262 1.00 0.00 H new ATOM 0 HA SER A 83 17.403 13.076 -13.792 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.097 12.805 -14.275 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.807 13.335 -15.787 1.00 0.00 H new ATOM 0 HG SER A 83 15.136 11.532 -16.663 1.00 0.00 H new ATOM 1246 N SER A 84 16.721 10.923 -12.535 1.00 0.00 N ATOM 1247 CA SER A 84 16.718 9.708 -11.734 1.00 0.00 C ATOM 1248 C SER A 84 15.302 9.327 -11.312 1.00 0.00 C ATOM 1249 O SER A 84 14.472 10.191 -11.034 1.00 0.00 O ATOM 1250 CB SER A 84 17.601 9.890 -10.497 1.00 0.00 C ATOM 1251 OG SER A 84 18.662 10.793 -10.757 1.00 0.00 O ATOM 0 H SER A 84 16.311 11.735 -12.074 1.00 0.00 H new ATOM 0 HA SER A 84 17.118 8.900 -12.347 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.999 10.261 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.007 8.926 -10.191 1.00 0.00 H new ATOM 0 HG SER A 84 19.211 10.894 -9.951 1.00 0.00 H new ATOM 1257 N ILE A 85 15.037 8.022 -11.260 1.00 0.00 N ATOM 1258 CA ILE A 85 13.721 7.523 -10.869 1.00 0.00 C ATOM 1259 C ILE A 85 13.824 6.226 -10.067 1.00 0.00 C ATOM 1260 O ILE A 85 14.675 5.384 -10.344 1.00 0.00 O ATOM 1261 CB ILE A 85 12.829 7.276 -12.101 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.408 6.923 -11.660 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.413 6.171 -12.971 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.454 6.700 -12.813 1.00 0.00 C ATOM 0 H ILE A 85 15.715 7.293 -11.483 1.00 0.00 H new ATOM 0 HA ILE A 85 13.271 8.293 -10.243 1.00 0.00 H new ATOM 0 HB ILE A 85 12.791 8.190 -12.694 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.440 6.023 -11.046 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.022 7.725 -11.030 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.770 6.011 -13.836 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.408 6.461 -13.308 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.480 5.249 -12.393 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.466 6.454 -12.425 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.392 7.607 -13.415 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.816 5.879 -13.431 1.00 0.00 H new ATOM 1276 N ASP A 86 12.938 6.070 -9.083 1.00 0.00 N ATOM 1277 CA ASP A 86 12.914 4.871 -8.240 1.00 0.00 C ATOM 1278 C ASP A 86 11.854 3.879 -8.729 1.00 0.00 C ATOM 1279 O ASP A 86 10.664 4.195 -8.755 1.00 0.00 O ATOM 1280 CB ASP A 86 12.631 5.253 -6.786 1.00 0.00 C ATOM 1281 CG ASP A 86 12.930 4.120 -5.825 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.853 3.328 -6.110 1.00 0.00 O ATOM 1283 OD2 ASP A 86 12.240 4.023 -4.788 1.00 0.00 O ATOM 0 H ASP A 86 12.225 6.760 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 86 13.892 4.394 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.232 6.122 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.586 5.545 -6.686 1.00 0.00 H new ATOM 1288 N LEU A 87 12.294 2.685 -9.126 1.00 0.00 N ATOM 1289 CA LEU A 87 11.375 1.659 -9.634 1.00 0.00 C ATOM 1290 C LEU A 87 11.032 0.597 -8.586 1.00 0.00 C ATOM 1291 O LEU A 87 10.208 -0.278 -8.845 1.00 0.00 O ATOM 1292 CB LEU A 87 11.961 0.981 -10.869 1.00 0.00 C ATOM 1293 CG LEU A 87 12.685 1.914 -11.838 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.641 1.126 -12.720 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.679 2.680 -12.684 1.00 0.00 C ATOM 0 H LEU A 87 13.274 2.403 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 87 10.451 2.175 -9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.658 0.208 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.156 0.479 -11.405 1.00 0.00 H new ATOM 0 HG LEU A 87 13.267 2.633 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.149 1.806 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.379 0.621 -12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.082 0.386 -13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.209 3.341 -13.370 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.072 1.976 -13.254 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.034 3.272 -12.035 1.00 0.00 H new ATOM 1307 N ASN A 88 11.675 0.645 -7.422 1.00 0.00 N ATOM 1308 CA ASN A 88 11.438 -0.351 -6.373 1.00 0.00 C ATOM 1309 C ASN A 88 9.947 -0.635 -6.178 1.00 0.00 C ATOM 1310 O ASN A 88 9.569 -1.732 -5.766 1.00 0.00 O ATOM 1311 CB ASN A 88 12.032 0.154 -5.055 1.00 0.00 C ATOM 1312 CG ASN A 88 11.909 -0.854 -3.932 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.424 -2.053 -4.162 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.359 -0.557 -2.871 1.00 0.00 N flip ATOM 0 H ASN A 88 12.362 1.359 -7.179 1.00 0.00 H new ATOM 0 HA ASN A 88 11.917 -1.280 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.084 0.397 -5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.530 1.077 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.977 0.380 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.286 -1.248 -2.124 1.00 0.00 H new ATOM 1321 N SER A 89 9.108 0.349 -6.471 1.00 0.00 N ATOM 1322 CA SER A 89 7.665 0.188 -6.318 1.00 0.00 C ATOM 1323 C SER A 89 7.016 -0.524 -7.511 1.00 0.00 C ATOM 1324 O SER A 89 6.091 -1.317 -7.335 1.00 0.00 O ATOM 1325 CB SER A 89 7.003 1.550 -6.111 1.00 0.00 C ATOM 1326 OG SER A 89 7.664 2.287 -5.097 1.00 0.00 O ATOM 0 H SER A 89 9.398 1.264 -6.815 1.00 0.00 H new ATOM 0 HA SER A 89 7.510 -0.442 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.021 2.112 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.956 1.412 -5.842 1.00 0.00 H new ATOM 0 HG SER A 89 7.224 3.155 -4.984 1.00 0.00 H new ATOM 1332 N VAL A 90 7.468 -0.208 -8.724 1.00 0.00 N ATOM 1333 CA VAL A 90 6.886 -0.797 -9.931 1.00 0.00 C ATOM 1334 C VAL A 90 7.252 -2.273 -10.127 1.00 0.00 C ATOM 1335 O VAL A 90 6.369 -3.106 -10.331 1.00 0.00 O ATOM 1336 CB VAL A 90 7.256 0.011 -11.198 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.080 1.499 -10.948 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.676 -0.281 -11.659 1.00 0.00 C ATOM 0 H VAL A 90 8.230 0.448 -8.897 1.00 0.00 H new ATOM 0 HA VAL A 90 5.807 -0.750 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 90 6.579 -0.300 -11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.344 2.053 -11.849 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.042 1.704 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.728 1.809 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.897 0.306 -12.551 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.377 -0.016 -10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.773 -1.342 -11.890 1.00 0.00 H new ATOM 1348 N ILE A 91 8.541 -2.598 -10.091 1.00 0.00 N ATOM 1349 CA ILE A 91 8.969 -3.978 -10.287 1.00 0.00 C ATOM 1350 C ILE A 91 8.836 -4.787 -8.998 1.00 0.00 C ATOM 1351 O ILE A 91 8.983 -4.258 -7.897 1.00 0.00 O ATOM 1352 CB ILE A 91 10.416 -4.059 -10.840 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.480 -3.463 -12.256 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.916 -5.500 -10.849 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.229 -2.148 -12.325 1.00 0.00 C ATOM 0 H ILE A 91 9.298 -1.934 -9.930 1.00 0.00 H new ATOM 0 HA ILE A 91 8.306 -4.416 -11.033 1.00 0.00 H new ATOM 0 HB ILE A 91 11.064 -3.478 -10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.959 -4.180 -12.922 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.465 -3.314 -12.625 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.933 -5.530 -11.241 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.907 -5.895 -9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.266 -6.107 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.235 -1.786 -13.353 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.738 -1.415 -11.685 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.255 -2.295 -11.987 1.00 0.00 H new ATOM 1367 N GLU A 92 8.533 -6.074 -9.153 1.00 0.00 N ATOM 1368 CA GLU A 92 8.342 -6.974 -8.021 1.00 0.00 C ATOM 1369 C GLU A 92 9.016 -8.313 -8.298 1.00 0.00 C ATOM 1370 O GLU A 92 9.382 -8.597 -9.436 1.00 0.00 O ATOM 1371 CB GLU A 92 6.842 -7.197 -7.798 1.00 0.00 C ATOM 1372 CG GLU A 92 6.481 -7.582 -6.373 1.00 0.00 C ATOM 1373 CD GLU A 92 4.989 -7.498 -6.107 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.203 -7.766 -7.040 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.608 -7.166 -4.965 1.00 0.00 O ATOM 0 H GLU A 92 8.414 -6.519 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 92 8.786 -6.528 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.306 -6.286 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.497 -7.979 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.825 -8.597 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.008 -6.927 -5.679 1.00 0.00 H new ATOM 1382 N ASN A 93 9.191 -9.138 -7.266 1.00 0.00 N ATOM 1383 CA ASN A 93 9.831 -10.436 -7.445 1.00 0.00 C ATOM 1384 C ASN A 93 8.809 -11.561 -7.335 1.00 0.00 C ATOM 1385 O ASN A 93 8.433 -11.977 -6.239 1.00 0.00 O ATOM 1386 CB ASN A 93 10.936 -10.639 -6.406 1.00 0.00 C ATOM 1387 CG ASN A 93 11.674 -11.951 -6.595 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.821 -12.440 -7.716 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.144 -12.530 -5.496 1.00 0.00 N ATOM 0 H ASN A 93 8.902 -8.932 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 93 10.273 -10.458 -8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.646 -9.814 -6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.501 -10.611 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.649 -13.414 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.000 -12.091 -4.587 1.00 0.00 H new ATOM 1396 N VAL A 94 8.386 -12.058 -8.487 1.00 0.00 N ATOM 1397 CA VAL A 94 7.425 -13.151 -8.545 1.00 0.00 C ATOM 1398 C VAL A 94 8.134 -14.484 -8.760 1.00 0.00 C ATOM 1399 O VAL A 94 8.487 -14.830 -9.888 1.00 0.00 O ATOM 1400 CB VAL A 94 6.390 -12.930 -9.662 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.314 -14.005 -9.614 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.776 -11.543 -9.541 1.00 0.00 C ATOM 0 H VAL A 94 8.694 -11.721 -9.399 1.00 0.00 H new ATOM 0 HA VAL A 94 6.902 -13.174 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 94 6.894 -13.001 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.591 -13.832 -10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.773 -14.985 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.806 -13.969 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.045 -11.398 -10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.283 -11.446 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.559 -10.790 -9.626 1.00 0.00 H new ATOM 1412 N ASP A 95 8.348 -15.230 -7.679 1.00 0.00 N ATOM 1413 CA ASP A 95 9.021 -16.522 -7.762 1.00 0.00 C ATOM 1414 C ASP A 95 10.373 -16.402 -8.459 1.00 0.00 C ATOM 1415 O ASP A 95 10.814 -17.329 -9.137 1.00 0.00 O ATOM 1416 CB ASP A 95 8.144 -17.538 -8.494 1.00 0.00 C ATOM 1417 CG ASP A 95 8.572 -18.967 -8.223 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.165 -19.216 -7.150 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.316 -19.837 -9.082 1.00 0.00 O ATOM 0 H ASP A 95 8.065 -14.962 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 95 9.194 -16.869 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.106 -17.407 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.186 -17.345 -9.566 1.00 0.00 H new ATOM 1424 N GLY A 96 11.030 -15.258 -8.282 1.00 0.00 N ATOM 1425 CA GLY A 96 12.335 -15.048 -8.891 1.00 0.00 C ATOM 1426 C GLY A 96 12.264 -14.356 -10.241 1.00 0.00 C ATOM 1427 O GLY A 96 13.129 -14.564 -11.093 1.00 0.00 O ATOM 0 H GLY A 96 10.684 -14.474 -7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.951 -14.452 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.832 -16.011 -9.010 1.00 0.00 H new ATOM 1431 N SER A 97 11.235 -13.538 -10.445 1.00 0.00 N ATOM 1432 CA SER A 97 11.075 -12.828 -11.711 1.00 0.00 C ATOM 1433 C SER A 97 10.583 -11.400 -11.495 1.00 0.00 C ATOM 1434 O SER A 97 9.693 -11.154 -10.681 1.00 0.00 O ATOM 1435 CB SER A 97 10.098 -13.577 -12.617 1.00 0.00 C ATOM 1436 OG SER A 97 10.331 -14.974 -12.575 1.00 0.00 O ATOM 0 H SER A 97 10.505 -13.351 -9.757 1.00 0.00 H new ATOM 0 HA SER A 97 12.054 -12.782 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.075 -13.366 -12.306 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.200 -13.219 -13.641 1.00 0.00 H new ATOM 0 HG SER A 97 9.692 -15.430 -13.162 1.00 0.00 H new ATOM 1442 N LEU A 98 11.171 -10.462 -12.235 1.00 0.00 N ATOM 1443 CA LEU A 98 10.793 -9.057 -12.129 1.00 0.00 C ATOM 1444 C LEU A 98 9.448 -8.809 -12.802 1.00 0.00 C ATOM 1445 O LEU A 98 9.287 -9.042 -14.000 1.00 0.00 O ATOM 1446 CB LEU A 98 11.868 -8.163 -12.756 1.00 0.00 C ATOM 1447 CG LEU A 98 13.266 -8.305 -12.150 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.214 -7.278 -12.749 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.208 -8.159 -10.637 1.00 0.00 C ATOM 0 H LEU A 98 11.910 -10.650 -12.913 1.00 0.00 H new ATOM 0 HA LEU A 98 10.703 -8.808 -11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.927 -8.385 -13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.553 -7.124 -12.664 1.00 0.00 H new ATOM 0 HG LEU A 98 13.644 -9.300 -12.386 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.203 -7.394 -12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.279 -7.428 -13.827 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.840 -6.275 -12.544 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.211 -8.263 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.810 -7.177 -10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.562 -8.932 -10.221 1.00 0.00 H new ATOM 1461 N LYS A 99 8.479 -8.352 -12.015 1.00 0.00 N ATOM 1462 CA LYS A 99 7.134 -8.087 -12.517 1.00 0.00 C ATOM 1463 C LYS A 99 6.679 -6.670 -12.187 1.00 0.00 C ATOM 1464 O LYS A 99 7.011 -6.131 -11.136 1.00 0.00 O ATOM 1465 CB LYS A 99 6.151 -9.094 -11.918 1.00 0.00 C ATOM 1466 CG LYS A 99 6.136 -10.436 -12.635 1.00 0.00 C ATOM 1467 CD LYS A 99 4.722 -10.840 -13.029 1.00 0.00 C ATOM 1468 CE LYS A 99 4.621 -12.331 -13.313 1.00 0.00 C ATOM 1469 NZ LYS A 99 5.562 -12.761 -14.385 1.00 0.00 N ATOM 0 H LYS A 99 8.601 -8.156 -11.021 1.00 0.00 H new ATOM 0 HA LYS A 99 7.157 -8.189 -13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.403 -9.255 -10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.148 -8.668 -11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.762 -10.381 -13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.568 -11.200 -11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.031 -10.574 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.416 -10.280 -13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.832 -12.889 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.600 -12.575 -13.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.379 -13.755 -14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.424 -12.166 -15.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.541 -12.662 -14.048 1.00 0.00 H new ATOM 1483 N TYR A 100 5.909 -6.074 -13.093 1.00 0.00 N ATOM 1484 CA TYR A 100 5.397 -4.723 -12.891 1.00 0.00 C ATOM 1485 C TYR A 100 4.029 -4.778 -12.215 1.00 0.00 C ATOM 1486 O TYR A 100 3.195 -5.617 -12.554 1.00 0.00 O ATOM 1487 CB TYR A 100 5.293 -3.980 -14.227 1.00 0.00 C ATOM 1488 CG TYR A 100 6.360 -2.923 -14.425 1.00 0.00 C ATOM 1489 CD1 TYR A 100 7.658 -3.278 -14.767 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.068 -1.573 -14.272 1.00 0.00 C ATOM 1491 CE1 TYR A 100 8.636 -2.318 -14.951 1.00 0.00 C ATOM 1492 CE2 TYR A 100 7.040 -0.607 -14.454 1.00 0.00 C ATOM 1493 CZ TYR A 100 8.323 -0.984 -14.794 1.00 0.00 C ATOM 1494 OH TYR A 100 9.294 -0.026 -14.977 1.00 0.00 O ATOM 0 H TYR A 100 5.626 -6.505 -13.973 1.00 0.00 H new ATOM 0 HA TYR A 100 6.091 -4.182 -12.248 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.356 -4.703 -15.040 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.312 -3.510 -14.295 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.908 -4.321 -14.891 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.065 -1.273 -14.006 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.641 -2.612 -15.217 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.796 0.438 -14.331 1.00 0.00 H new ATOM 0 HH TYR A 100 9.948 -0.345 -15.633 1.00 0.00 H new