USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 100 ZNZN :(H bumps) USER MOD Set 1.1: A 79 ASN : amide:sc= 0.557 K(o=1.2,f=-1.3) USER MOD Set 1.2: A 83 SER OG : rot 85:sc= 0.685 USER MOD Set 2.1: A 30 CYS SG : rot 121:sc= 0.197 USER MOD Set 2.2: A 70 HIS :FLIP no HD1:sc= -1.25 F(o=-1.8,f=-1.1) USER MOD Set 3.1: A 46 SER OG : rot 115:sc= 0.686 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0.624 USER MOD Set 4.1: A 25 TYR OH : rot -165:sc= 0.747 USER MOD Set 4.2: A 27 GLN : amide:sc= 0.798 X(o=1.5,f=1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -49:sc= 0.83 USER MOD Single : A 44 ASN : amide:sc= 0.0527 K(o=0.053,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00501 X(o=-0.005,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.33) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.15) USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= -0.0731 (180deg=-1.89) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 1.15 (180deg=1.11) USER MOD Single : A 82 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.15) USER MOD Single : A 86 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-2.8e-05) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0905 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 23 0.342 1.333 -12.112 1.00 0.00 N ATOM 2 CA GLY A 23 0.097 0.691 -10.802 1.00 0.00 C ATOM 3 C GLY A 23 -0.559 1.685 -9.862 1.00 0.00 C ATOM 4 O GLY A 23 -0.645 2.850 -10.231 1.00 0.00 O ATOM 0 HA2 GLY A 23 -0.543 -0.182 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.037 0.339 -10.377 1.00 0.00 H new ATOM 8 N SER A 24 -1.037 1.246 -8.695 1.00 0.00 N ATOM 9 CA SER A 24 -1.575 2.161 -7.672 1.00 0.00 C ATOM 10 C SER A 24 -0.441 2.907 -6.951 1.00 0.00 C ATOM 11 O SER A 24 0.688 2.422 -6.909 1.00 0.00 O ATOM 12 CB SER A 24 -2.417 1.386 -6.650 1.00 0.00 C ATOM 13 OG SER A 24 -3.043 2.283 -5.751 1.00 0.00 O ATOM 0 H SER A 24 -1.065 0.261 -8.430 1.00 0.00 H new ATOM 0 HA SER A 24 -2.207 2.892 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.171 0.791 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.784 0.690 -6.099 1.00 0.00 H new ATOM 0 HG SER A 24 -3.579 1.778 -5.105 1.00 0.00 H new ATOM 19 N TYR A 25 -0.753 4.073 -6.388 1.00 0.00 N ATOM 20 CA TYR A 25 0.136 4.903 -5.558 1.00 0.00 C ATOM 21 C TYR A 25 -0.686 5.834 -4.643 1.00 0.00 C ATOM 22 O TYR A 25 -0.354 7.002 -4.447 1.00 0.00 O ATOM 23 CB TYR A 25 1.164 5.655 -6.422 1.00 0.00 C ATOM 24 CG TYR A 25 0.597 6.478 -7.560 1.00 0.00 C ATOM 25 CD1 TYR A 25 0.324 5.851 -8.787 1.00 0.00 C ATOM 26 CD2 TYR A 25 0.373 7.860 -7.411 1.00 0.00 C ATOM 27 CE1 TYR A 25 -0.167 6.598 -9.871 1.00 0.00 C ATOM 28 CE2 TYR A 25 -0.111 8.620 -8.496 1.00 0.00 C ATOM 29 CZ TYR A 25 -0.372 7.987 -9.732 1.00 0.00 C ATOM 30 OH TYR A 25 -0.823 8.705 -10.794 1.00 0.00 O ATOM 0 H TYR A 25 -1.677 4.490 -6.500 1.00 0.00 H new ATOM 0 HA TYR A 25 0.714 4.252 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.740 6.315 -5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.861 4.928 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.492 4.790 -8.898 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.572 8.339 -6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.387 6.110 -10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.281 9.680 -8.383 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.686 9.661 -10.625 1.00 0.00 H new ATOM 40 N GLY A 26 -1.842 5.354 -4.169 1.00 0.00 N ATOM 41 CA GLY A 26 -2.794 6.125 -3.351 1.00 0.00 C ATOM 42 C GLY A 26 -3.603 7.189 -4.113 1.00 0.00 C ATOM 43 O GLY A 26 -4.705 7.508 -3.680 1.00 0.00 O ATOM 0 H GLY A 26 -2.151 4.398 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.490 5.430 -2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.244 6.616 -2.548 1.00 0.00 H new ATOM 47 N GLN A 27 -3.069 7.701 -5.236 1.00 0.00 N ATOM 48 CA GLN A 27 -3.669 8.667 -6.176 1.00 0.00 C ATOM 49 C GLN A 27 -4.685 9.613 -5.526 1.00 0.00 C ATOM 50 O GLN A 27 -5.854 9.665 -5.892 1.00 0.00 O ATOM 51 CB GLN A 27 -4.244 7.943 -7.402 1.00 0.00 C ATOM 52 CG GLN A 27 -4.331 8.858 -8.635 1.00 0.00 C ATOM 53 CD GLN A 27 -4.614 8.065 -9.905 1.00 0.00 C ATOM 54 OE1 GLN A 27 -5.709 7.615 -10.176 1.00 0.00 O ATOM 55 NE2 GLN A 27 -3.630 7.830 -10.744 1.00 0.00 N ATOM 0 H GLN A 27 -2.132 7.429 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.862 9.318 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.621 7.080 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.238 7.563 -7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.117 9.598 -8.485 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.396 9.406 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.696 8.192 -10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.800 7.286 -11.590 1.00 0.00 H new ATOM 64 N SER A 28 -4.224 10.334 -4.514 1.00 0.00 N ATOM 65 CA SER A 28 -5.011 11.301 -3.751 1.00 0.00 C ATOM 66 C SER A 28 -4.474 12.708 -4.012 1.00 0.00 C ATOM 67 O SER A 28 -3.456 12.868 -4.702 1.00 0.00 O ATOM 68 CB SER A 28 -5.065 10.933 -2.254 1.00 0.00 C ATOM 69 OG SER A 28 -4.430 9.697 -1.950 1.00 0.00 O ATOM 0 H SER A 28 -3.260 10.262 -4.188 1.00 0.00 H new ATOM 0 HA SER A 28 -6.047 11.276 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.593 11.727 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.107 10.885 -1.937 1.00 0.00 H new ATOM 0 HG SER A 28 -4.743 9.007 -2.571 1.00 0.00 H new ATOM 75 N CYS A 29 -5.190 13.711 -3.504 1.00 0.00 N ATOM 76 CA CYS A 29 -4.884 15.131 -3.615 1.00 0.00 C ATOM 77 C CYS A 29 -3.466 15.526 -3.115 1.00 0.00 C ATOM 78 O CYS A 29 -2.582 14.709 -2.814 1.00 0.00 O ATOM 79 CB CYS A 29 -6.050 15.859 -2.913 1.00 0.00 C ATOM 80 SG CYS A 29 -6.226 17.603 -3.406 1.00 0.00 S ATOM 0 H CYS A 29 -6.046 13.542 -2.975 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.819 15.436 -4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.979 15.333 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.901 15.809 -1.834 1.00 0.00 H new ATOM 85 N CYS A 30 -3.213 16.826 -3.092 1.00 0.00 N ATOM 86 CA CYS A 30 -1.967 17.415 -2.599 1.00 0.00 C ATOM 87 C CYS A 30 -2.153 18.808 -1.992 1.00 0.00 C ATOM 88 O CYS A 30 -1.186 19.390 -1.500 1.00 0.00 O ATOM 89 CB CYS A 30 -0.970 17.485 -3.765 1.00 0.00 C ATOM 90 SG CYS A 30 0.727 17.510 -3.131 1.00 0.00 S ATOM 0 H CYS A 30 -3.882 17.522 -3.423 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.595 16.779 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.108 16.628 -4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.157 18.378 -4.361 1.00 0.00 H new ATOM 0 HG CYS A 30 1.383 16.494 -3.607 1.00 0.00 H new ATOM 96 N LEU A 31 -3.359 19.366 -2.070 1.00 0.00 N ATOM 97 CA LEU A 31 -3.661 20.647 -1.450 1.00 0.00 C ATOM 98 C LEU A 31 -3.784 20.494 0.072 1.00 0.00 C ATOM 99 O LEU A 31 -3.942 19.391 0.600 1.00 0.00 O ATOM 100 CB LEU A 31 -4.928 21.222 -2.110 1.00 0.00 C ATOM 101 CG LEU A 31 -4.638 21.677 -3.555 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.917 21.797 -4.369 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.947 23.033 -3.611 1.00 0.00 C ATOM 0 H LEU A 31 -4.147 18.944 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.849 21.356 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.715 20.468 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.296 22.065 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.984 20.910 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.675 22.120 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.417 20.829 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.577 22.529 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.766 23.306 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.583 23.785 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.997 22.980 -3.079 1.00 0.00 H new ATOM 115 N ILE A 32 -3.735 21.625 0.762 1.00 0.00 N ATOM 116 CA ILE A 32 -3.898 21.763 2.205 1.00 0.00 C ATOM 117 C ILE A 32 -4.819 22.953 2.429 1.00 0.00 C ATOM 118 O ILE A 32 -4.671 23.960 1.737 1.00 0.00 O ATOM 119 CB ILE A 32 -2.526 21.998 2.892 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.590 20.786 2.692 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.685 22.337 4.389 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.251 20.867 3.437 1.00 0.00 C ATOM 0 H ILE A 32 -3.571 22.522 0.305 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.320 20.856 2.637 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.067 22.862 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.113 19.886 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.389 20.674 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.702 22.494 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.280 23.244 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.185 21.513 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.334 19.970 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.301 21.745 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.435 20.944 4.509 1.00 0.00 H new ATOM 134 N GLU A 33 -5.732 22.874 3.395 1.00 0.00 N ATOM 135 CA GLU A 33 -6.569 24.010 3.774 1.00 0.00 C ATOM 136 C GLU A 33 -6.713 24.068 5.293 1.00 0.00 C ATOM 137 O GLU A 33 -7.061 23.082 5.938 1.00 0.00 O ATOM 138 CB GLU A 33 -7.914 23.982 3.035 1.00 0.00 C ATOM 139 CG GLU A 33 -8.406 25.428 2.901 1.00 0.00 C ATOM 140 CD GLU A 33 -9.606 25.635 1.974 1.00 0.00 C ATOM 141 OE1 GLU A 33 -10.095 24.673 1.341 1.00 0.00 O ATOM 142 OE2 GLU A 33 -10.040 26.814 1.913 1.00 0.00 O ATOM 0 H GLU A 33 -5.912 22.027 3.934 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.083 24.935 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.800 23.525 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.639 23.381 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.668 25.797 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.581 26.042 2.540 1.00 0.00 H new ATOM 149 N ASP A 34 -6.350 25.221 5.863 1.00 0.00 N ATOM 150 CA ASP A 34 -6.249 25.517 7.309 1.00 0.00 C ATOM 151 C ASP A 34 -5.293 24.581 8.095 1.00 0.00 C ATOM 152 O ASP A 34 -5.061 24.775 9.286 1.00 0.00 O ATOM 153 CB ASP A 34 -7.662 25.654 7.926 1.00 0.00 C ATOM 154 CG ASP A 34 -8.039 27.093 8.297 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.877 27.974 7.420 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.578 27.310 9.401 1.00 0.00 O ATOM 0 H ASP A 34 -6.101 26.031 5.295 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.755 26.484 7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.396 25.267 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.720 25.031 8.819 1.00 0.00 H new ATOM 161 N GLY A 35 -4.690 23.597 7.421 1.00 0.00 N ATOM 162 CA GLY A 35 -3.794 22.576 7.965 1.00 0.00 C ATOM 163 C GLY A 35 -4.263 21.148 7.665 1.00 0.00 C ATOM 164 O GLY A 35 -3.489 20.210 7.837 1.00 0.00 O ATOM 0 H GLY A 35 -4.824 23.487 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.795 22.719 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.715 22.708 9.044 1.00 0.00 H new ATOM 168 N GLU A 36 -5.513 20.964 7.224 1.00 0.00 N ATOM 169 CA GLU A 36 -6.019 19.668 6.765 1.00 0.00 C ATOM 170 C GLU A 36 -5.325 19.349 5.438 1.00 0.00 C ATOM 171 O GLU A 36 -5.443 20.116 4.479 1.00 0.00 O ATOM 172 CB GLU A 36 -7.547 19.725 6.571 1.00 0.00 C ATOM 173 CG GLU A 36 -8.255 18.366 6.767 1.00 0.00 C ATOM 174 CD GLU A 36 -7.691 17.190 5.941 1.00 0.00 C ATOM 175 OE1 GLU A 36 -6.649 16.637 6.369 1.00 0.00 O ATOM 176 OE2 GLU A 36 -8.312 16.820 4.914 1.00 0.00 O ATOM 0 H GLU A 36 -6.203 21.713 7.176 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.810 18.893 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.966 20.446 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.762 20.094 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.205 18.101 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.309 18.488 6.518 1.00 0.00 H new ATOM 183 N ARG A 37 -4.592 18.235 5.368 1.00 0.00 N ATOM 184 CA ARG A 37 -3.967 17.753 4.140 1.00 0.00 C ATOM 185 C ARG A 37 -4.996 16.952 3.343 1.00 0.00 C ATOM 186 O ARG A 37 -4.983 15.723 3.429 1.00 0.00 O ATOM 187 CB ARG A 37 -2.695 16.954 4.484 1.00 0.00 C ATOM 188 CG ARG A 37 -1.702 16.821 3.316 1.00 0.00 C ATOM 189 CD ARG A 37 -2.246 16.273 1.981 1.00 0.00 C ATOM 190 NE ARG A 37 -2.749 14.905 2.106 1.00 0.00 N ATOM 191 CZ ARG A 37 -2.095 13.766 2.054 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.811 13.663 1.853 1.00 0.00 N ATOM 193 NH2 ARG A 37 -2.763 12.662 2.213 1.00 0.00 N ATOM 0 H ARG A 37 -4.415 17.637 6.175 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.646 18.581 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.191 17.436 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.984 15.957 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.272 17.804 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.887 16.173 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.047 16.921 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.456 16.300 1.231 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.755 14.823 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.246 14.502 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.371 12.743 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.770 12.694 2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.280 11.764 2.177 1.00 0.00 H new ATOM 207 N CYS A 38 -5.795 17.655 2.537 1.00 0.00 N ATOM 208 CA CYS A 38 -6.799 17.118 1.616 1.00 0.00 C ATOM 209 C CYS A 38 -6.477 15.680 1.168 1.00 0.00 C ATOM 210 O CYS A 38 -5.526 15.403 0.433 1.00 0.00 O ATOM 211 CB CYS A 38 -6.969 18.100 0.449 1.00 0.00 C ATOM 212 SG CYS A 38 -8.513 17.751 -0.449 1.00 0.00 S ATOM 0 H CYS A 38 -5.756 18.674 2.508 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.755 17.029 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.982 19.123 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.120 18.020 -0.229 1.00 0.00 H new ATOM 217 N VAL A 39 -7.254 14.742 1.705 1.00 0.00 N ATOM 218 CA VAL A 39 -7.098 13.284 1.542 1.00 0.00 C ATOM 219 C VAL A 39 -8.005 12.714 0.447 1.00 0.00 C ATOM 220 O VAL A 39 -7.966 11.515 0.172 1.00 0.00 O ATOM 221 CB VAL A 39 -7.362 12.548 2.876 1.00 0.00 C ATOM 222 CG1 VAL A 39 -6.230 12.719 3.893 1.00 0.00 C ATOM 223 CG2 VAL A 39 -8.646 13.036 3.551 1.00 0.00 C ATOM 0 H VAL A 39 -8.050 14.981 2.296 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.066 13.117 1.235 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.444 11.498 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.477 12.179 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.304 12.323 3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.102 13.777 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.795 12.494 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.565 14.103 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.494 12.859 2.890 1.00 0.00 H new ATOM 233 N ARG A 40 -8.835 13.553 -0.186 1.00 0.00 N ATOM 234 CA ARG A 40 -9.765 13.150 -1.252 1.00 0.00 C ATOM 235 C ARG A 40 -9.040 12.458 -2.429 1.00 0.00 C ATOM 236 O ARG A 40 -7.891 12.804 -2.728 1.00 0.00 O ATOM 237 CB ARG A 40 -10.552 14.377 -1.741 1.00 0.00 C ATOM 238 CG ARG A 40 -11.646 14.822 -0.759 1.00 0.00 C ATOM 239 CD ARG A 40 -12.426 16.011 -1.335 1.00 0.00 C ATOM 240 NE ARG A 40 -13.616 16.336 -0.518 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.883 16.154 -0.847 1.00 0.00 C ATOM 242 NH1 ARG A 40 -15.232 15.515 -1.928 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.832 16.614 -0.086 1.00 0.00 N ATOM 0 H ARG A 40 -8.881 14.549 0.031 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.457 12.417 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.860 15.204 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.008 14.148 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.326 13.993 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.197 15.100 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.773 16.882 -1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.737 15.782 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.439 16.745 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.518 15.137 -2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.220 15.393 -2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.600 17.118 0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.808 16.471 -0.345 1.00 0.00 H new ATOM 257 N PRO A 41 -9.702 11.503 -3.115 1.00 0.00 N ATOM 258 CA PRO A 41 -9.134 10.824 -4.275 1.00 0.00 C ATOM 259 C PRO A 41 -8.913 11.818 -5.418 1.00 0.00 C ATOM 260 O PRO A 41 -9.774 12.652 -5.707 1.00 0.00 O ATOM 261 CB PRO A 41 -10.131 9.725 -4.652 1.00 0.00 C ATOM 262 CG PRO A 41 -11.465 10.265 -4.135 1.00 0.00 C ATOM 263 CD PRO A 41 -11.066 11.042 -2.882 1.00 0.00 C ATOM 0 HA PRO A 41 -8.157 10.391 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.156 9.557 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.875 8.773 -4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.951 10.907 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.163 9.460 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.739 11.883 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.118 10.409 -1.996 1.00 0.00 H new ATOM 271 N ALA A 42 -7.747 11.728 -6.048 1.00 0.00 N ATOM 272 CA ALA A 42 -7.396 12.525 -7.212 1.00 0.00 C ATOM 273 C ALA A 42 -8.039 11.971 -8.490 1.00 0.00 C ATOM 274 O ALA A 42 -8.615 10.886 -8.519 1.00 0.00 O ATOM 275 CB ALA A 42 -5.866 12.576 -7.340 1.00 0.00 C ATOM 0 H ALA A 42 -7.008 11.088 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.783 13.535 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.593 13.172 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.441 13.028 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.477 11.565 -7.456 1.00 0.00 H new ATOM 281 N GLY A 43 -7.898 12.737 -9.565 1.00 0.00 N ATOM 282 CA GLY A 43 -8.312 12.332 -10.908 1.00 0.00 C ATOM 283 C GLY A 43 -7.438 13.001 -11.964 1.00 0.00 C ATOM 284 O GLY A 43 -6.301 13.382 -11.696 1.00 0.00 O ATOM 0 H GLY A 43 -7.488 13.670 -9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.243 11.248 -11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.356 12.601 -11.069 1.00 0.00 H new ATOM 288 N ASN A 44 -7.976 13.214 -13.164 1.00 0.00 N ATOM 289 CA ASN A 44 -7.311 13.946 -14.256 1.00 0.00 C ATOM 290 C ASN A 44 -7.051 15.451 -13.958 1.00 0.00 C ATOM 291 O ASN A 44 -6.695 16.200 -14.867 1.00 0.00 O ATOM 292 CB ASN A 44 -8.129 13.763 -15.552 1.00 0.00 C ATOM 293 CG ASN A 44 -8.407 12.307 -15.878 1.00 0.00 C ATOM 294 OD1 ASN A 44 -9.271 11.689 -15.284 1.00 0.00 O ATOM 295 ND2 ASN A 44 -7.686 11.708 -16.799 1.00 0.00 N ATOM 0 H ASN A 44 -8.906 12.878 -13.416 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.316 13.516 -14.370 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.075 14.295 -15.456 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.590 14.219 -16.383 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.850 10.725 -17.016 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.962 12.226 -17.297 1.00 0.00 H new ATOM 302 N ALA A 45 -7.253 15.907 -12.715 1.00 0.00 N ATOM 303 CA ALA A 45 -6.956 17.257 -12.244 1.00 0.00 C ATOM 304 C ALA A 45 -5.505 17.347 -11.729 1.00 0.00 C ATOM 305 O ALA A 45 -5.029 16.468 -11.012 1.00 0.00 O ATOM 306 CB ALA A 45 -7.957 17.600 -11.130 1.00 0.00 C ATOM 0 H ALA A 45 -7.645 15.316 -11.982 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.051 17.971 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.758 18.605 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.972 17.554 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.853 16.885 -10.314 1.00 0.00 H new ATOM 312 N SER A 46 -4.805 18.446 -12.034 1.00 0.00 N ATOM 313 CA SER A 46 -3.444 18.685 -11.531 1.00 0.00 C ATOM 314 C SER A 46 -3.221 20.141 -11.112 1.00 0.00 C ATOM 315 O SER A 46 -3.831 21.074 -11.639 1.00 0.00 O ATOM 316 CB SER A 46 -2.377 18.310 -12.573 1.00 0.00 C ATOM 317 OG SER A 46 -2.449 19.136 -13.727 1.00 0.00 O ATOM 0 H SER A 46 -5.162 19.191 -12.632 1.00 0.00 H new ATOM 0 HA SER A 46 -3.343 18.045 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.387 18.397 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.505 17.267 -12.864 1.00 0.00 H new ATOM 0 HG SER A 46 -1.634 19.677 -13.794 1.00 0.00 H new ATOM 323 N PHE A 47 -2.279 20.339 -10.195 1.00 0.00 N ATOM 324 CA PHE A 47 -1.783 21.631 -9.726 1.00 0.00 C ATOM 325 C PHE A 47 -0.663 22.157 -10.650 1.00 0.00 C ATOM 326 O PHE A 47 0.428 22.547 -10.224 1.00 0.00 O ATOM 327 CB PHE A 47 -1.374 21.513 -8.252 1.00 0.00 C ATOM 328 CG PHE A 47 -1.431 22.847 -7.555 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.686 23.378 -7.223 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.258 23.560 -7.250 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.770 24.616 -6.578 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.349 24.793 -6.582 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.606 25.331 -6.257 1.00 0.00 C ATOM 0 H PHE A 47 -1.814 19.558 -9.732 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.572 22.381 -9.776 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.034 20.808 -7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.364 21.109 -8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.586 22.832 -7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.707 23.162 -7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.737 25.025 -6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.550 25.329 -6.317 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.676 26.289 -5.763 1.00 0.00 H new ATOM 343 N SER A 48 -0.928 22.104 -11.957 1.00 0.00 N ATOM 344 CA SER A 48 -0.012 22.581 -13.000 1.00 0.00 C ATOM 345 C SER A 48 0.282 24.073 -12.815 1.00 0.00 C ATOM 346 O SER A 48 -0.612 24.824 -12.433 1.00 0.00 O ATOM 347 CB SER A 48 -0.629 22.345 -14.383 1.00 0.00 C ATOM 348 OG SER A 48 -0.555 20.983 -14.743 1.00 0.00 O ATOM 0 H SER A 48 -1.798 21.723 -12.328 1.00 0.00 H new ATOM 0 HA SER A 48 0.923 22.027 -12.920 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.670 22.668 -14.381 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.109 22.950 -15.126 1.00 0.00 H new ATOM 0 HG SER A 48 -0.956 20.856 -15.628 1.00 0.00 H new ATOM 354 N LYS A 49 1.492 24.539 -13.157 1.00 0.00 N ATOM 355 CA LYS A 49 1.973 25.925 -12.935 1.00 0.00 C ATOM 356 C LYS A 49 0.937 27.039 -13.181 1.00 0.00 C ATOM 357 O LYS A 49 0.832 27.959 -12.376 1.00 0.00 O ATOM 358 CB LYS A 49 3.225 26.177 -13.794 1.00 0.00 C ATOM 359 CG LYS A 49 4.474 25.360 -13.413 1.00 0.00 C ATOM 360 CD LYS A 49 5.074 25.735 -12.048 1.00 0.00 C ATOM 361 CE LYS A 49 6.468 25.103 -11.911 1.00 0.00 C ATOM 362 NZ LYS A 49 7.175 25.554 -10.685 1.00 0.00 N ATOM 0 H LYS A 49 2.190 23.949 -13.610 1.00 0.00 H new ATOM 0 HA LYS A 49 2.198 25.983 -11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.978 25.964 -14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.475 27.236 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.215 24.301 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.234 25.497 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.143 26.819 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.424 25.387 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.372 24.017 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.066 25.356 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.110 25.101 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.292 26.587 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.619 25.290 -9.847 1.00 0.00 H new ATOM 376 N ARG A 50 0.130 26.954 -14.250 1.00 0.00 N ATOM 377 CA ARG A 50 -0.942 27.932 -14.563 1.00 0.00 C ATOM 378 C ARG A 50 -1.981 28.130 -13.445 1.00 0.00 C ATOM 379 O ARG A 50 -2.485 29.237 -13.274 1.00 0.00 O ATOM 380 CB ARG A 50 -1.613 27.580 -15.904 1.00 0.00 C ATOM 381 CG ARG A 50 -2.437 26.278 -15.887 1.00 0.00 C ATOM 382 CD ARG A 50 -2.991 25.930 -17.275 1.00 0.00 C ATOM 383 NE ARG A 50 -4.018 26.888 -17.738 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.900 26.688 -18.704 1.00 0.00 C ATOM 385 NH1 ARG A 50 -4.960 25.573 -19.378 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.753 27.620 -19.021 1.00 0.00 N ATOM 0 H ARG A 50 0.198 26.199 -14.933 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.447 28.899 -14.648 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.265 28.403 -16.196 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.842 27.497 -16.670 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.813 25.459 -15.530 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.262 26.381 -15.182 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.171 25.907 -17.993 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.420 24.928 -17.249 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.050 27.792 -17.266 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.311 24.814 -19.168 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.656 25.460 -20.115 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.744 28.510 -18.524 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.430 27.459 -19.767 1.00 0.00 H new ATOM 400 N VAL A 51 -2.280 27.073 -12.687 1.00 0.00 N ATOM 401 CA VAL A 51 -3.252 27.045 -11.581 1.00 0.00 C ATOM 402 C VAL A 51 -2.791 27.919 -10.407 1.00 0.00 C ATOM 403 O VAL A 51 -3.601 28.637 -9.821 1.00 0.00 O ATOM 404 CB VAL A 51 -3.505 25.582 -11.133 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.562 25.505 -10.030 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.014 24.729 -12.308 1.00 0.00 C ATOM 0 H VAL A 51 -1.832 26.168 -12.831 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.193 27.464 -11.938 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.551 25.206 -10.765 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.712 24.465 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.227 26.076 -9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.501 25.919 -10.397 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.184 23.707 -11.969 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.948 25.147 -12.683 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.271 24.728 -13.105 1.00 0.00 H new ATOM 416 N GLN A 52 -1.481 27.950 -10.135 1.00 0.00 N ATOM 417 CA GLN A 52 -0.864 28.764 -9.078 1.00 0.00 C ATOM 418 C GLN A 52 -1.141 30.265 -9.270 1.00 0.00 C ATOM 419 O GLN A 52 -1.452 30.969 -8.310 1.00 0.00 O ATOM 420 CB GLN A 52 0.659 28.504 -9.036 1.00 0.00 C ATOM 421 CG GLN A 52 0.996 27.054 -8.667 1.00 0.00 C ATOM 422 CD GLN A 52 2.490 26.705 -8.671 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.236 26.955 -9.609 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.998 26.062 -7.638 1.00 0.00 N ATOM 0 H GLN A 52 -0.802 27.396 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.312 28.469 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.091 28.738 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.120 29.176 -8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.594 26.846 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.483 26.391 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.408 25.836 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.981 25.791 -7.639 1.00 0.00 H new ATOM 433 N LYS A 53 -1.086 30.761 -10.518 1.00 0.00 N ATOM 434 CA LYS A 53 -1.394 32.166 -10.851 1.00 0.00 C ATOM 435 C LYS A 53 -2.831 32.538 -10.491 1.00 0.00 C ATOM 436 O LYS A 53 -3.068 33.605 -9.928 1.00 0.00 O ATOM 437 CB LYS A 53 -1.152 32.410 -12.351 1.00 0.00 C ATOM 438 CG LYS A 53 -1.333 33.869 -12.815 1.00 0.00 C ATOM 439 CD LYS A 53 -0.344 34.883 -12.213 1.00 0.00 C ATOM 440 CE LYS A 53 1.086 34.673 -12.733 1.00 0.00 C ATOM 441 NZ LYS A 53 2.007 35.754 -12.289 1.00 0.00 N ATOM 0 H LYS A 53 -0.826 30.198 -11.328 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.732 32.799 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.139 32.090 -12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.833 31.777 -12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.243 33.900 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.346 34.187 -12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.672 35.895 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.351 34.795 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.461 33.711 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.073 34.633 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.961 35.573 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.665 36.670 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.040 35.776 -11.250 1.00 0.00 H new ATOM 455 N SER A 54 -3.771 31.646 -10.806 1.00 0.00 N ATOM 456 CA SER A 54 -5.193 31.829 -10.504 1.00 0.00 C ATOM 457 C SER A 54 -5.442 31.983 -9.001 1.00 0.00 C ATOM 458 O SER A 54 -6.100 32.929 -8.572 1.00 0.00 O ATOM 459 CB SER A 54 -6.021 30.666 -11.069 1.00 0.00 C ATOM 460 OG SER A 54 -7.389 31.030 -11.145 1.00 0.00 O ATOM 0 H SER A 54 -3.566 30.768 -11.282 1.00 0.00 H new ATOM 0 HA SER A 54 -5.511 32.754 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.654 30.396 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.906 29.787 -10.435 1.00 0.00 H new ATOM 0 HG SER A 54 -7.907 30.282 -11.508 1.00 0.00 H new ATOM 466 N ILE A 55 -4.869 31.084 -8.193 1.00 0.00 N ATOM 467 CA ILE A 55 -4.995 31.102 -6.728 1.00 0.00 C ATOM 468 C ILE A 55 -4.277 32.319 -6.126 1.00 0.00 C ATOM 469 O ILE A 55 -4.825 32.984 -5.250 1.00 0.00 O ATOM 470 CB ILE A 55 -4.484 29.777 -6.132 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.361 28.621 -6.663 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.537 29.800 -4.596 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.938 27.263 -6.116 1.00 0.00 C ATOM 0 H ILE A 55 -4.298 30.314 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.049 31.198 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.445 29.636 -6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.401 28.808 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.309 28.602 -7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.170 28.851 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.913 30.612 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.566 29.953 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.588 26.488 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.907 27.059 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.016 27.268 -5.029 1.00 0.00 H new ATOM 485 N SER A 56 -3.094 32.678 -6.635 1.00 0.00 N ATOM 486 CA SER A 56 -2.358 33.877 -6.206 1.00 0.00 C ATOM 487 C SER A 56 -3.190 35.152 -6.352 1.00 0.00 C ATOM 488 O SER A 56 -3.236 35.960 -5.428 1.00 0.00 O ATOM 489 CB SER A 56 -1.084 34.029 -7.032 1.00 0.00 C ATOM 490 OG SER A 56 -0.294 35.106 -6.560 1.00 0.00 O ATOM 0 H SER A 56 -2.616 32.144 -7.360 1.00 0.00 H new ATOM 0 HA SER A 56 -2.120 33.743 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.507 33.105 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.343 34.195 -8.078 1.00 0.00 H new ATOM 0 HG SER A 56 0.517 35.181 -7.105 1.00 0.00 H new ATOM 496 N GLN A 57 -3.902 35.307 -7.475 1.00 0.00 N ATOM 497 CA GLN A 57 -4.806 36.441 -7.711 1.00 0.00 C ATOM 498 C GLN A 57 -6.140 36.327 -6.939 1.00 0.00 C ATOM 499 O GLN A 57 -7.050 37.134 -7.139 1.00 0.00 O ATOM 500 CB GLN A 57 -5.017 36.611 -9.231 1.00 0.00 C ATOM 501 CG GLN A 57 -5.284 38.072 -9.639 1.00 0.00 C ATOM 502 CD GLN A 57 -4.126 38.992 -9.263 1.00 0.00 C ATOM 503 OE1 GLN A 57 -2.965 38.670 -9.449 1.00 0.00 O ATOM 504 NE2 GLN A 57 -4.390 40.138 -8.681 1.00 0.00 N ATOM 0 H GLN A 57 -3.867 34.645 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.336 37.341 -7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.135 36.247 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.856 35.991 -9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.453 38.123 -10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.196 38.422 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.358 40.417 -8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.627 40.749 -8.389 1.00 0.00 H new ATOM 513 N LYS A 58 -6.287 35.315 -6.074 1.00 0.00 N ATOM 514 CA LYS A 58 -7.438 35.081 -5.178 1.00 0.00 C ATOM 515 C LYS A 58 -7.055 35.037 -3.693 1.00 0.00 C ATOM 516 O LYS A 58 -7.941 35.136 -2.856 1.00 0.00 O ATOM 517 CB LYS A 58 -8.142 33.764 -5.559 1.00 0.00 C ATOM 518 CG LYS A 58 -8.750 33.724 -6.971 1.00 0.00 C ATOM 519 CD LYS A 58 -10.197 34.228 -7.037 1.00 0.00 C ATOM 520 CE LYS A 58 -10.441 35.702 -6.708 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.696 36.608 -7.613 1.00 0.00 N ATOM 0 H LYS A 58 -5.570 34.596 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.108 35.930 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.424 32.949 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.934 33.573 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.134 34.327 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.715 32.700 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.575 34.039 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.796 33.626 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.507 35.917 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.145 35.896 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.150 37.544 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.715 36.701 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.699 36.216 -8.576 1.00 0.00 H new ATOM 535 N LYS A 59 -5.757 34.914 -3.384 1.00 0.00 N ATOM 536 CA LYS A 59 -5.143 34.864 -2.043 1.00 0.00 C ATOM 537 C LYS A 59 -5.829 33.882 -1.075 1.00 0.00 C ATOM 538 O LYS A 59 -5.911 34.126 0.124 1.00 0.00 O ATOM 539 CB LYS A 59 -4.991 36.304 -1.504 1.00 0.00 C ATOM 540 CG LYS A 59 -3.876 36.491 -0.459 1.00 0.00 C ATOM 541 CD LYS A 59 -2.463 36.307 -1.038 1.00 0.00 C ATOM 542 CE LYS A 59 -1.421 36.596 0.048 1.00 0.00 C ATOM 543 NZ LYS A 59 -0.037 36.437 -0.464 1.00 0.00 N ATOM 0 H LYS A 59 -5.053 34.841 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.145 34.435 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.798 36.972 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.938 36.613 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.957 37.488 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.024 35.778 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.342 35.290 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.316 36.977 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.557 37.611 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.577 35.923 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.641 36.640 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.100 35.462 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.120 37.097 -1.252 1.00 0.00 H new ATOM 557 N LEU A 60 -6.315 32.762 -1.615 1.00 0.00 N ATOM 558 CA LEU A 60 -6.898 31.658 -0.850 1.00 0.00 C ATOM 559 C LEU A 60 -5.878 31.044 0.127 1.00 0.00 C ATOM 560 O LEU A 60 -4.681 31.012 -0.153 1.00 0.00 O ATOM 561 CB LEU A 60 -7.378 30.574 -1.828 1.00 0.00 C ATOM 562 CG LEU A 60 -8.490 30.973 -2.809 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.828 29.765 -3.685 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.753 31.458 -2.101 1.00 0.00 C ATOM 0 H LEU A 60 -6.314 32.594 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.731 32.048 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.519 30.234 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.728 29.721 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.122 31.804 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.617 30.034 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.940 29.456 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.168 28.943 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.505 31.727 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.140 30.664 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.516 32.330 -1.492 1.00 0.00 H new ATOM 576 N LYS A 61 -6.382 30.484 1.233 1.00 0.00 N ATOM 577 CA LYS A 61 -5.638 29.761 2.284 1.00 0.00 C ATOM 578 C LYS A 61 -5.244 28.318 1.899 1.00 0.00 C ATOM 579 O LYS A 61 -5.288 27.420 2.736 1.00 0.00 O ATOM 580 CB LYS A 61 -6.444 29.845 3.598 1.00 0.00 C ATOM 581 CG LYS A 61 -7.819 29.154 3.559 1.00 0.00 C ATOM 582 CD LYS A 61 -8.630 29.498 4.816 1.00 0.00 C ATOM 583 CE LYS A 61 -9.643 28.407 5.176 1.00 0.00 C ATOM 584 NZ LYS A 61 -10.672 28.198 4.132 1.00 0.00 N ATOM 0 H LYS A 61 -7.381 30.523 1.435 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.673 30.249 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.853 29.401 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.588 30.895 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.365 29.468 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.688 28.074 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.949 29.648 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.155 30.440 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.113 27.470 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.134 28.671 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.552 27.862 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.853 29.095 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.335 27.489 3.449 1.00 0.00 H new ATOM 598 N LEU A 62 -4.921 28.095 0.621 1.00 0.00 N ATOM 599 CA LEU A 62 -4.569 26.782 0.069 1.00 0.00 C ATOM 600 C LEU A 62 -3.048 26.625 -0.066 1.00 0.00 C ATOM 601 O LEU A 62 -2.424 27.359 -0.832 1.00 0.00 O ATOM 602 CB LEU A 62 -5.272 26.556 -1.287 1.00 0.00 C ATOM 603 CG LEU A 62 -6.779 26.297 -1.218 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.289 26.169 -2.649 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.137 24.995 -0.510 1.00 0.00 C ATOM 0 H LEU A 62 -4.896 28.840 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.918 26.019 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.101 27.431 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.799 25.709 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.224 27.121 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.363 25.983 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.086 27.092 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.783 25.340 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.220 24.874 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.685 24.157 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.762 25.022 0.513 1.00 0.00 H new ATOM 617 N ASP A 63 -2.478 25.641 0.631 1.00 0.00 N ATOM 618 CA ASP A 63 -1.048 25.277 0.569 1.00 0.00 C ATOM 619 C ASP A 63 -0.843 23.920 -0.138 1.00 0.00 C ATOM 620 O ASP A 63 -1.805 23.312 -0.613 1.00 0.00 O ATOM 621 CB ASP A 63 -0.397 25.366 1.966 1.00 0.00 C ATOM 622 CG ASP A 63 1.079 25.775 1.869 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.908 24.904 1.516 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.362 26.968 2.092 1.00 0.00 O ATOM 0 H ASP A 63 -3.008 25.054 1.275 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.524 26.005 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.938 26.090 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.477 24.402 2.469 1.00 0.00 H new ATOM 629 N ILE A 64 0.402 23.438 -0.240 1.00 0.00 N ATOM 630 CA ILE A 64 0.779 22.242 -0.998 1.00 0.00 C ATOM 631 C ILE A 64 1.659 21.285 -0.192 1.00 0.00 C ATOM 632 O ILE A 64 2.834 21.543 0.074 1.00 0.00 O ATOM 633 CB ILE A 64 1.502 22.640 -2.306 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.744 23.677 -3.163 1.00 0.00 C ATOM 635 CG2 ILE A 64 1.794 21.386 -3.152 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.573 23.155 -3.741 1.00 0.00 C ATOM 0 H ILE A 64 1.197 23.884 0.217 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.146 21.715 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 64 2.429 23.122 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.539 24.558 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.388 23.998 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.303 21.677 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.429 20.705 -2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.857 20.887 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.048 23.939 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.375 22.292 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.236 22.861 -2.927 1.00 0.00 H new ATOM 648 N ASP A 65 1.115 20.096 0.063 1.00 0.00 N ATOM 649 CA ASP A 65 1.826 18.991 0.701 1.00 0.00 C ATOM 650 C ASP A 65 3.111 18.622 -0.061 1.00 0.00 C ATOM 651 O ASP A 65 3.106 18.362 -1.271 1.00 0.00 O ATOM 652 CB ASP A 65 0.882 17.789 0.804 1.00 0.00 C ATOM 653 CG ASP A 65 1.561 16.543 1.370 1.00 0.00 C ATOM 654 OD1 ASP A 65 2.570 16.683 2.092 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.104 15.427 1.034 1.00 0.00 O ATOM 0 H ASP A 65 0.149 19.870 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 65 2.135 19.300 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.034 18.053 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.483 17.561 -0.185 1.00 0.00 H new ATOM 660 N LYS A 66 4.245 18.600 0.648 1.00 0.00 N ATOM 661 CA LYS A 66 5.547 18.207 0.093 1.00 0.00 C ATOM 662 C LYS A 66 5.901 16.743 0.352 1.00 0.00 C ATOM 663 O LYS A 66 6.854 16.280 -0.266 1.00 0.00 O ATOM 664 CB LYS A 66 6.644 19.174 0.579 1.00 0.00 C ATOM 665 CG LYS A 66 6.481 20.641 0.127 1.00 0.00 C ATOM 666 CD LYS A 66 6.477 20.851 -1.397 1.00 0.00 C ATOM 667 CE LYS A 66 5.037 20.810 -1.911 1.00 0.00 C ATOM 668 NZ LYS A 66 4.943 20.768 -3.386 1.00 0.00 N ATOM 0 H LYS A 66 4.286 18.857 1.634 1.00 0.00 H new ATOM 0 HA LYS A 66 5.475 18.286 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.671 19.148 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.609 18.808 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.549 21.031 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.289 21.231 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.936 21.808 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.071 20.077 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.536 19.935 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.503 21.687 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.446 21.616 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.899 20.740 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.418 19.918 -3.676 1.00 0.00 H new ATOM 682 N SER A 67 5.124 15.998 1.142 1.00 0.00 N ATOM 683 CA SER A 67 5.333 14.569 1.422 1.00 0.00 C ATOM 684 C SER A 67 5.361 13.720 0.144 1.00 0.00 C ATOM 685 O SER A 67 6.383 13.131 -0.201 1.00 0.00 O ATOM 686 CB SER A 67 4.229 14.098 2.379 1.00 0.00 C ATOM 687 OG SER A 67 4.418 12.743 2.724 1.00 0.00 O ATOM 0 H SER A 67 4.308 16.380 1.620 1.00 0.00 H new ATOM 0 HA SER A 67 6.311 14.440 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.234 14.712 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.254 14.227 1.910 1.00 0.00 H new ATOM 0 HG SER A 67 3.707 12.459 3.336 1.00 0.00 H new ATOM 693 N VAL A 68 4.275 13.738 -0.642 1.00 0.00 N ATOM 694 CA VAL A 68 4.169 12.967 -1.901 1.00 0.00 C ATOM 695 C VAL A 68 4.876 13.669 -3.080 1.00 0.00 C ATOM 696 O VAL A 68 4.953 13.120 -4.176 1.00 0.00 O ATOM 697 CB VAL A 68 2.685 12.652 -2.227 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.530 11.527 -3.263 1.00 0.00 C ATOM 699 CG2 VAL A 68 1.903 12.181 -0.989 1.00 0.00 C ATOM 0 H VAL A 68 3.442 14.286 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 68 4.691 12.022 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 68 2.293 13.594 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.471 11.350 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.021 11.818 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.988 10.615 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.870 11.973 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.361 11.275 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.923 12.961 -0.228 1.00 0.00 H new ATOM 709 N ARG A 69 5.383 14.898 -2.876 1.00 0.00 N ATOM 710 CA ARG A 69 6.034 15.836 -3.832 1.00 0.00 C ATOM 711 C ARG A 69 5.301 16.139 -5.158 1.00 0.00 C ATOM 712 O ARG A 69 5.691 17.090 -5.830 1.00 0.00 O ATOM 713 CB ARG A 69 7.500 15.407 -4.097 1.00 0.00 C ATOM 714 CG ARG A 69 8.368 15.378 -2.824 1.00 0.00 C ATOM 715 CD ARG A 69 9.808 14.890 -3.043 1.00 0.00 C ATOM 716 NE ARG A 69 10.687 15.900 -3.680 1.00 0.00 N ATOM 717 CZ ARG A 69 12.010 15.921 -3.625 1.00 0.00 C ATOM 718 NH1 ARG A 69 12.691 15.013 -2.983 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.687 16.866 -4.220 1.00 0.00 N ATOM 0 H ARG A 69 5.347 15.309 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 69 5.988 16.792 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.504 14.417 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.947 16.092 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.399 16.381 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.888 14.734 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.235 14.603 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.789 13.994 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 69 10.232 16.645 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.205 14.256 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.710 15.060 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.197 17.598 -4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.706 16.872 -4.171 1.00 0.00 H new ATOM 733 N HIS A 70 4.270 15.371 -5.526 1.00 0.00 N ATOM 734 CA HIS A 70 3.516 15.411 -6.786 1.00 0.00 C ATOM 735 C HIS A 70 2.673 16.685 -7.003 1.00 0.00 C ATOM 736 O HIS A 70 2.607 17.565 -6.151 1.00 0.00 O ATOM 737 CB HIS A 70 2.703 14.093 -6.897 1.00 0.00 C ATOM 738 CG HIS A 70 1.521 13.888 -5.958 1.00 0.00 C ATOM 739 ND1 HIS A 70 1.028 14.767 -5.032 1.00 0.00 N flip ATOM 740 CD2 HIS A 70 0.716 12.759 -5.906 1.00 0.00 C flip ATOM 741 CE1 HIS A 70 -0.097 14.190 -4.456 1.00 0.00 C flip ATOM 742 NE2 HIS A 70 -0.273 12.976 -5.009 1.00 0.00 N flip ATOM 0 H HIS A 70 3.912 14.648 -4.902 1.00 0.00 H new ATOM 0 HA HIS A 70 4.227 15.475 -7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.332 14.017 -7.919 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.394 13.263 -6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.856 11.858 -6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.721 14.638 -3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.028 12.326 -4.788 1.00 0.00 H new ATOM 751 N LEU A 71 1.955 16.728 -8.133 1.00 0.00 N ATOM 752 CA LEU A 71 1.090 17.838 -8.556 1.00 0.00 C ATOM 753 C LEU A 71 -0.358 17.382 -8.818 1.00 0.00 C ATOM 754 O LEU A 71 -1.017 17.946 -9.682 1.00 0.00 O ATOM 755 CB LEU A 71 1.642 18.556 -9.815 1.00 0.00 C ATOM 756 CG LEU A 71 3.115 19.006 -9.788 1.00 0.00 C ATOM 757 CD1 LEU A 71 4.076 17.922 -10.288 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.293 20.219 -10.707 1.00 0.00 C ATOM 0 H LEU A 71 1.961 15.960 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 71 1.084 18.543 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.509 17.890 -10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.025 19.435 -9.999 1.00 0.00 H new ATOM 0 HG LEU A 71 3.350 19.235 -8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.099 18.295 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.987 17.037 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.827 17.661 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.335 20.539 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.014 19.948 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.657 21.034 -10.361 1.00 0.00 H new ATOM 770 N TYR A 72 -0.856 16.334 -8.158 1.00 0.00 N ATOM 771 CA TYR A 72 -2.257 15.900 -8.313 1.00 0.00 C ATOM 772 C TYR A 72 -3.212 16.613 -7.356 1.00 0.00 C ATOM 773 O TYR A 72 -2.784 17.046 -6.286 1.00 0.00 O ATOM 774 CB TYR A 72 -2.347 14.385 -8.098 1.00 0.00 C ATOM 775 CG TYR A 72 -1.958 13.619 -9.342 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.760 13.751 -10.489 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.790 12.833 -9.382 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.400 13.107 -11.683 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.443 12.155 -10.567 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.248 12.290 -11.718 1.00 0.00 C ATOM 781 OH TYR A 72 -0.883 11.636 -12.850 1.00 0.00 O ATOM 0 H TYR A 72 -0.313 15.765 -7.508 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.566 16.164 -9.324 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.695 14.095 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.364 14.118 -7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.657 14.351 -10.451 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.162 12.750 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.001 13.235 -12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.439 11.532 -10.595 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.064 11.124 -12.683 1.00 0.00 H new ATOM 791 N ILE A 73 -4.491 16.707 -7.734 1.00 0.00 N ATOM 792 CA ILE A 73 -5.570 17.233 -6.889 1.00 0.00 C ATOM 793 C ILE A 73 -6.860 16.421 -7.106 1.00 0.00 C ATOM 794 O ILE A 73 -7.015 15.716 -8.109 1.00 0.00 O ATOM 795 CB ILE A 73 -5.835 18.754 -7.083 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.532 19.099 -8.416 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.551 19.577 -6.922 1.00 0.00 C ATOM 798 CD1 ILE A 73 -6.913 20.579 -8.585 1.00 0.00 C ATOM 0 H ILE A 73 -4.813 16.413 -8.656 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.235 17.121 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.531 19.026 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.875 18.812 -9.237 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.435 18.494 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.776 20.634 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.144 19.424 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.819 19.259 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.396 20.722 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.598 20.871 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.015 21.194 -8.534 1.00 0.00 H new ATOM 810 N CYS A 74 -7.786 16.552 -6.161 1.00 0.00 N ATOM 811 CA CYS A 74 -9.132 15.997 -6.214 1.00 0.00 C ATOM 812 C CYS A 74 -10.118 16.921 -6.958 1.00 0.00 C ATOM 813 O CYS A 74 -9.907 18.133 -7.095 1.00 0.00 O ATOM 814 CB CYS A 74 -9.577 15.734 -4.768 1.00 0.00 C ATOM 815 SG CYS A 74 -9.911 17.285 -3.881 1.00 0.00 S ATOM 0 H CYS A 74 -7.610 17.071 -5.301 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.126 15.068 -6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.474 15.114 -4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.803 15.174 -4.244 1.00 0.00 H new ATOM 820 N ASP A 75 -11.239 16.360 -7.426 1.00 0.00 N ATOM 821 CA ASP A 75 -12.252 17.114 -8.178 1.00 0.00 C ATOM 822 C ASP A 75 -12.918 18.230 -7.350 1.00 0.00 C ATOM 823 O ASP A 75 -13.222 19.304 -7.863 1.00 0.00 O ATOM 824 CB ASP A 75 -13.305 16.157 -8.747 1.00 0.00 C ATOM 825 CG ASP A 75 -14.040 16.833 -9.903 1.00 0.00 C ATOM 826 OD1 ASP A 75 -13.487 16.792 -11.027 1.00 0.00 O ATOM 827 OD2 ASP A 75 -15.108 17.434 -9.682 1.00 0.00 O ATOM 0 H ASP A 75 -11.470 15.375 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.733 17.613 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.828 15.240 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.013 15.874 -7.968 1.00 0.00 H new ATOM 832 N PHE A 76 -13.060 18.021 -6.039 1.00 0.00 N ATOM 833 CA PHE A 76 -13.620 19.011 -5.114 1.00 0.00 C ATOM 834 C PHE A 76 -12.788 20.303 -5.129 1.00 0.00 C ATOM 835 O PHE A 76 -13.323 21.405 -5.265 1.00 0.00 O ATOM 836 CB PHE A 76 -13.678 18.366 -3.721 1.00 0.00 C ATOM 837 CG PHE A 76 -14.533 19.076 -2.688 1.00 0.00 C ATOM 838 CD1 PHE A 76 -15.928 19.150 -2.869 1.00 0.00 C ATOM 839 CD2 PHE A 76 -13.951 19.608 -1.521 1.00 0.00 C ATOM 840 CE1 PHE A 76 -16.736 19.753 -1.889 1.00 0.00 C ATOM 841 CE2 PHE A 76 -14.761 20.206 -0.538 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.154 20.281 -0.723 1.00 0.00 C ATOM 0 H PHE A 76 -12.786 17.150 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.626 19.300 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -14.049 17.347 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.662 18.295 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -16.378 18.743 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.881 19.557 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -17.805 19.811 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.313 20.608 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 76 -16.775 20.744 0.030 1.00 0.00 H new ATOM 852 N HIS A 77 -11.460 20.168 -5.087 1.00 0.00 N ATOM 853 CA HIS A 77 -10.554 21.306 -5.233 1.00 0.00 C ATOM 854 C HIS A 77 -10.468 21.806 -6.684 1.00 0.00 C ATOM 855 O HIS A 77 -10.381 23.017 -6.888 1.00 0.00 O ATOM 856 CB HIS A 77 -9.170 20.948 -4.681 1.00 0.00 C ATOM 857 CG HIS A 77 -9.014 21.202 -3.183 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.501 20.296 -2.227 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.347 22.363 -2.545 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.560 20.958 -1.045 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.069 22.187 -1.209 1.00 0.00 N ATOM 0 H HIS A 77 -10.987 19.274 -4.952 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.962 22.132 -4.651 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.971 19.896 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.416 21.524 -5.217 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.753 23.253 -3.004 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.240 20.549 -0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.224 22.874 -0.471 1.00 0.00 H new ATOM 869 N LYS A 78 -10.551 20.920 -7.689 1.00 0.00 N ATOM 870 CA LYS A 78 -10.596 21.309 -9.112 1.00 0.00 C ATOM 871 C LYS A 78 -11.728 22.303 -9.384 1.00 0.00 C ATOM 872 O LYS A 78 -11.509 23.287 -10.093 1.00 0.00 O ATOM 873 CB LYS A 78 -10.772 20.054 -9.987 1.00 0.00 C ATOM 874 CG LYS A 78 -10.736 20.310 -11.506 1.00 0.00 C ATOM 875 CD LYS A 78 -11.137 19.046 -12.294 1.00 0.00 C ATOM 876 CE LYS A 78 -12.515 19.189 -12.959 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.041 17.877 -13.407 1.00 0.00 N ATOM 0 H LYS A 78 -10.589 19.912 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.655 21.799 -9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.987 19.341 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.723 19.584 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.412 21.127 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.735 20.623 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.386 18.843 -13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.147 18.189 -11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.214 19.642 -12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.440 19.863 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.713 18.021 -14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.254 17.281 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.525 17.408 -12.615 1.00 0.00 H new ATOM 891 N ASN A 79 -12.923 22.052 -8.831 1.00 0.00 N ATOM 892 CA ASN A 79 -14.068 22.959 -8.957 1.00 0.00 C ATOM 893 C ASN A 79 -13.895 24.208 -8.085 1.00 0.00 C ATOM 894 O ASN A 79 -14.156 25.299 -8.578 1.00 0.00 O ATOM 895 CB ASN A 79 -15.396 22.239 -8.645 1.00 0.00 C ATOM 896 CG ASN A 79 -16.606 23.083 -9.050 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.858 24.162 -8.537 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.388 22.639 -10.005 1.00 0.00 N ATOM 0 H ASN A 79 -13.121 21.214 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.108 23.287 -9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.425 21.285 -9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.448 22.017 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.190 23.193 -10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.194 21.740 -10.446 1.00 0.00 H new ATOM 905 N PHE A 80 -13.396 24.095 -6.846 1.00 0.00 N ATOM 906 CA PHE A 80 -13.226 25.254 -5.956 1.00 0.00 C ATOM 907 C PHE A 80 -12.465 26.410 -6.623 1.00 0.00 C ATOM 908 O PHE A 80 -12.890 27.562 -6.537 1.00 0.00 O ATOM 909 CB PHE A 80 -12.528 24.814 -4.658 1.00 0.00 C ATOM 910 CG PHE A 80 -12.373 25.906 -3.611 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.500 26.631 -3.171 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.112 26.170 -3.035 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.370 27.607 -2.167 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.991 27.129 -2.011 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.116 27.850 -1.581 1.00 0.00 C ATOM 0 H PHE A 80 -13.102 23.209 -6.435 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.220 25.637 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.092 23.990 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.540 24.427 -4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.468 26.435 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.239 25.636 -3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.234 28.170 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.029 27.310 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.018 28.590 -0.801 1.00 0.00 H new ATOM 925 N ILE A 81 -11.397 26.100 -7.368 1.00 0.00 N ATOM 926 CA ILE A 81 -10.572 27.105 -8.061 1.00 0.00 C ATOM 927 C ILE A 81 -11.336 27.795 -9.215 1.00 0.00 C ATOM 928 O ILE A 81 -11.051 28.950 -9.537 1.00 0.00 O ATOM 929 CB ILE A 81 -9.243 26.445 -8.508 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.472 25.894 -7.278 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.351 27.442 -9.282 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.404 24.858 -7.639 1.00 0.00 C ATOM 0 H ILE A 81 -11.077 25.142 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.332 27.914 -7.371 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.492 25.620 -9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.999 26.725 -6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.183 25.444 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.427 26.947 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.880 27.790 -10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.116 28.293 -8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.906 24.517 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.874 24.009 -8.136 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.671 25.309 -8.307 1.00 0.00 H new ATOM 944 N GLN A 82 -12.333 27.130 -9.813 1.00 0.00 N ATOM 945 CA GLN A 82 -13.207 27.692 -10.850 1.00 0.00 C ATOM 946 C GLN A 82 -14.420 28.422 -10.252 1.00 0.00 C ATOM 947 O GLN A 82 -14.807 29.473 -10.755 1.00 0.00 O ATOM 948 CB GLN A 82 -13.684 26.581 -11.800 1.00 0.00 C ATOM 949 CG GLN A 82 -12.558 25.749 -12.438 1.00 0.00 C ATOM 950 CD GLN A 82 -11.347 26.555 -12.906 1.00 0.00 C ATOM 951 OE1 GLN A 82 -11.432 27.572 -13.571 1.00 0.00 O ATOM 952 NE2 GLN A 82 -10.149 26.130 -12.566 1.00 0.00 N ATOM 0 H GLN A 82 -12.559 26.162 -9.583 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.621 28.425 -11.405 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.344 25.911 -11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.278 27.032 -12.595 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -12.223 25.004 -11.716 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.966 25.206 -13.291 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.048 25.281 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.321 26.649 -12.859 1.00 0.00 H new ATOM 961 N SER A 83 -14.981 27.935 -9.143 1.00 0.00 N ATOM 962 CA SER A 83 -16.063 28.611 -8.414 1.00 0.00 C ATOM 963 C SER A 83 -15.642 30.025 -7.994 1.00 0.00 C ATOM 964 O SER A 83 -16.370 30.991 -8.232 1.00 0.00 O ATOM 965 CB SER A 83 -16.464 27.775 -7.193 1.00 0.00 C ATOM 966 OG SER A 83 -17.410 26.781 -7.534 1.00 0.00 O ATOM 0 H SER A 83 -14.696 27.052 -8.720 1.00 0.00 H new ATOM 0 HA SER A 83 -16.925 28.707 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.578 27.305 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 83 -16.880 28.427 -6.425 1.00 0.00 H new ATOM 0 HG SER A 83 -16.944 25.986 -7.868 1.00 0.00 H new ATOM 972 N VAL A 84 -14.420 30.191 -7.467 1.00 0.00 N ATOM 973 CA VAL A 84 -13.874 31.526 -7.146 1.00 0.00 C ATOM 974 C VAL A 84 -13.447 32.342 -8.383 1.00 0.00 C ATOM 975 O VAL A 84 -13.115 33.522 -8.258 1.00 0.00 O ATOM 976 CB VAL A 84 -12.717 31.453 -6.138 1.00 0.00 C ATOM 977 CG1 VAL A 84 -13.120 30.733 -4.849 1.00 0.00 C ATOM 978 CG2 VAL A 84 -11.450 30.812 -6.723 1.00 0.00 C ATOM 0 H VAL A 84 -13.788 29.420 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.707 32.058 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.481 32.490 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.270 30.706 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.947 31.265 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.430 29.715 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.669 30.789 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.672 29.795 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.108 31.396 -7.577 1.00 0.00 H new ATOM 988 N ARG A 85 -13.412 31.729 -9.577 1.00 0.00 N ATOM 989 CA ARG A 85 -13.143 32.397 -10.864 1.00 0.00 C ATOM 990 C ARG A 85 -14.377 33.144 -11.385 1.00 0.00 C ATOM 991 O ARG A 85 -14.227 34.037 -12.222 1.00 0.00 O ATOM 992 CB ARG A 85 -12.656 31.349 -11.893 1.00 0.00 C ATOM 993 CG ARG A 85 -11.866 31.901 -13.086 1.00 0.00 C ATOM 994 CD ARG A 85 -10.471 32.380 -12.664 1.00 0.00 C ATOM 995 NE ARG A 85 -9.740 33.010 -13.780 1.00 0.00 N ATOM 996 CZ ARG A 85 -9.910 34.236 -14.240 1.00 0.00 C ATOM 997 NH1 ARG A 85 -10.850 35.020 -13.789 1.00 0.00 N ATOM 998 NH2 ARG A 85 -9.140 34.705 -15.184 1.00 0.00 N ATOM 0 H ARG A 85 -13.574 30.727 -9.678 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.363 33.143 -10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.032 30.621 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.524 30.811 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.771 31.129 -13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.415 32.728 -13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.565 33.093 -11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.896 31.534 -12.286 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.032 32.441 -14.243 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.482 34.691 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.953 35.962 -14.167 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.398 34.123 -15.573 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.280 35.653 -15.532 1.00 0.00 H new ATOM 1012 N ASN A 86 -15.574 32.768 -10.918 1.00 0.00 N ATOM 1013 CA ASN A 86 -16.864 33.407 -11.199 1.00 0.00 C ATOM 1014 C ASN A 86 -17.118 34.605 -10.245 1.00 0.00 C ATOM 1015 O ASN A 86 -16.185 35.203 -9.713 1.00 0.00 O ATOM 1016 CB ASN A 86 -17.988 32.345 -11.096 1.00 0.00 C ATOM 1017 CG ASN A 86 -17.862 31.104 -11.972 1.00 0.00 C ATOM 1018 OD1 ASN A 86 -18.540 30.124 -11.745 1.00 0.00 O ATOM 1019 ND2 ASN A 86 -17.074 31.106 -13.024 1.00 0.00 N ATOM 0 H ASN A 86 -15.673 31.964 -10.299 1.00 0.00 H new ATOM 0 HA ASN A 86 -16.853 33.812 -12.211 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.050 32.020 -10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.934 32.831 -11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.039 30.291 -13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.498 31.923 -13.228 1.00 0.00 H new ATOM 1026 N LYS A 87 -18.384 35.016 -10.063 1.00 0.00 N ATOM 1027 CA LYS A 87 -18.788 36.057 -9.104 1.00 0.00 C ATOM 1028 C LYS A 87 -20.230 35.840 -8.631 1.00 0.00 C ATOM 1029 O LYS A 87 -21.148 35.773 -9.443 1.00 0.00 O ATOM 1030 CB LYS A 87 -18.555 37.482 -9.667 1.00 0.00 C ATOM 1031 CG LYS A 87 -19.044 37.815 -11.097 1.00 0.00 C ATOM 1032 CD LYS A 87 -18.058 37.413 -12.214 1.00 0.00 C ATOM 1033 CE LYS A 87 -18.491 37.885 -13.612 1.00 0.00 C ATOM 1034 NZ LYS A 87 -18.221 39.328 -13.844 1.00 0.00 N ATOM 0 H LYS A 87 -19.168 34.628 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.147 35.969 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.030 38.187 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.483 37.678 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -19.995 37.312 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -19.233 38.886 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.076 37.827 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.952 36.328 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.969 37.297 -14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.557 37.695 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.533 39.590 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.740 39.895 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.201 39.510 -13.750 1.00 0.00 H new ATOM 1048 N ARG A 88 -20.443 35.746 -7.313 1.00 0.00 N ATOM 1049 CA ARG A 88 -21.754 35.539 -6.655 1.00 0.00 C ATOM 1050 C ARG A 88 -22.653 36.797 -6.635 1.00 0.00 C ATOM 1051 O ARG A 88 -23.219 37.135 -5.602 1.00 0.00 O ATOM 1052 CB ARG A 88 -21.524 34.951 -5.240 1.00 0.00 C ATOM 1053 CG ARG A 88 -21.150 33.455 -5.219 1.00 0.00 C ATOM 1054 CD ARG A 88 -22.371 32.515 -5.187 1.00 0.00 C ATOM 1055 NE ARG A 88 -23.031 32.344 -6.500 1.00 0.00 N ATOM 1056 CZ ARG A 88 -24.328 32.215 -6.729 1.00 0.00 C ATOM 1057 NH1 ARG A 88 -25.236 32.448 -5.821 1.00 0.00 N ATOM 1058 NH2 ARG A 88 -24.746 31.829 -7.902 1.00 0.00 N ATOM 0 H ARG A 88 -19.679 35.814 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 88 -22.317 34.824 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -20.732 35.517 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -22.429 35.094 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -20.549 33.227 -6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -20.526 33.257 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -22.056 31.538 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -23.098 32.904 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 88 -22.420 32.323 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -24.958 32.744 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -26.224 32.334 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -24.074 31.627 -8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -25.745 31.729 -8.080 1.00 0.00 H new ATOM 1072 N LYS A 89 -22.808 37.505 -7.763 1.00 0.00 N ATOM 1073 CA LYS A 89 -23.728 38.658 -7.892 1.00 0.00 C ATOM 1074 C LYS A 89 -24.538 38.591 -9.194 1.00 0.00 C ATOM 1075 O LYS A 89 -24.057 38.109 -10.215 1.00 0.00 O ATOM 1076 CB LYS A 89 -22.981 40.003 -7.732 1.00 0.00 C ATOM 1077 CG LYS A 89 -22.507 40.225 -6.280 1.00 0.00 C ATOM 1078 CD LYS A 89 -22.129 41.675 -5.923 1.00 0.00 C ATOM 1079 CE LYS A 89 -20.828 42.157 -6.580 1.00 0.00 C ATOM 1080 NZ LYS A 89 -20.418 43.487 -6.055 1.00 0.00 N ATOM 0 H LYS A 89 -22.297 37.297 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 89 -24.445 38.599 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -22.122 40.024 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.637 40.821 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.296 39.896 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.643 39.586 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.942 42.336 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.031 41.759 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.035 41.431 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.964 42.216 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.536 43.786 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.165 44.183 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.266 43.423 -5.028 1.00 0.00 H new ATOM 1094 N ARG A 90 -25.782 39.075 -9.126 1.00 0.00 N ATOM 1095 CA ARG A 90 -26.835 39.053 -10.166 1.00 0.00 C ATOM 1096 C ARG A 90 -27.712 40.319 -10.029 1.00 0.00 C ATOM 1097 O ARG A 90 -27.296 41.287 -9.397 1.00 0.00 O ATOM 1098 CB ARG A 90 -27.659 37.741 -10.011 1.00 0.00 C ATOM 1099 CG ARG A 90 -27.003 36.472 -10.590 1.00 0.00 C ATOM 1100 CD ARG A 90 -26.924 36.452 -12.127 1.00 0.00 C ATOM 1101 NE ARG A 90 -28.262 36.388 -12.760 1.00 0.00 N ATOM 1102 CZ ARG A 90 -28.538 36.463 -14.054 1.00 0.00 C ATOM 1103 NH1 ARG A 90 -27.604 36.630 -14.947 1.00 0.00 N ATOM 1104 NH2 ARG A 90 -29.769 36.377 -14.475 1.00 0.00 N ATOM 0 H ARG A 90 -26.113 39.531 -8.276 1.00 0.00 H new ATOM 0 HA ARG A 90 -26.403 39.063 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -27.852 37.577 -8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -28.626 37.881 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -25.996 36.379 -10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -27.564 35.600 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -26.404 37.345 -12.473 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -26.332 35.594 -12.447 1.00 0.00 H new ATOM 0 HE ARG A 90 -29.057 36.274 -12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -26.629 36.707 -14.657 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -27.848 36.684 -15.936 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -30.529 36.251 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -29.972 36.436 -15.473 1.00 0.00 H new ATOM 1118 N LYS A 91 -28.901 40.315 -10.635 1.00 0.00 N ATOM 1119 CA LYS A 91 -29.955 41.337 -10.544 1.00 0.00 C ATOM 1120 C LYS A 91 -31.298 40.626 -10.324 1.00 0.00 C ATOM 1121 O LYS A 91 -31.409 39.432 -10.608 1.00 0.00 O ATOM 1122 CB LYS A 91 -30.000 42.189 -11.831 1.00 0.00 C ATOM 1123 CG LYS A 91 -28.855 43.205 -11.990 1.00 0.00 C ATOM 1124 CD LYS A 91 -28.950 44.371 -10.990 1.00 0.00 C ATOM 1125 CE LYS A 91 -27.869 45.442 -11.216 1.00 0.00 C ATOM 1126 NZ LYS A 91 -28.076 46.217 -12.468 1.00 0.00 N ATOM 0 H LYS A 91 -29.175 39.545 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 91 -29.748 42.008 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -29.991 41.519 -12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -30.947 42.728 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -27.901 42.695 -11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -28.865 43.601 -13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -29.934 44.833 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -28.862 43.981 -9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -27.860 46.127 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -26.891 44.962 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.329 46.934 -12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -28.041 45.574 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -29.004 46.686 -12.437 1.00 0.00 H new ATOM 1140 N THR A 92 -32.286 41.356 -9.813 1.00 0.00 N ATOM 1141 CA THR A 92 -33.648 40.885 -9.516 1.00 0.00 C ATOM 1142 C THR A 92 -34.311 40.193 -10.706 1.00 0.00 C ATOM 1143 O THR A 92 -34.189 40.669 -11.838 1.00 0.00 O ATOM 1144 CB THR A 92 -34.520 42.070 -9.061 1.00 0.00 C ATOM 1145 OG1 THR A 92 -33.743 42.985 -8.315 1.00 0.00 O ATOM 1146 CG2 THR A 92 -35.673 41.629 -8.165 1.00 0.00 C ATOM 0 H THR A 92 -32.159 42.341 -9.581 1.00 0.00 H new ATOM 0 HA THR A 92 -33.561 40.145 -8.720 1.00 0.00 H new ATOM 0 HB THR A 92 -34.918 42.525 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 92 -34.305 43.736 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 92 -36.259 42.500 -7.870 1.00 0.00 H new ATOM 0 HG22 THR A 92 -36.310 40.931 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 92 -35.276 41.141 -7.275 1.00 0.00 H new TER 1154 THR A 92 HETATM 1155 ZN ZN A 100 -8.208 18.262 -2.578 1.00 0.00 ZN