USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 120 HIS : no HE2:sc= -0.36 X(o=-0.34,f=-0.39) USER MOD Set 1.2: A 122 HIS : no HE2:sc= 0.0231 X(o=-0.34,f=-0.39) USER MOD Set 2.1: A 11 TYR OH : rot 47:sc= 0.0254 USER MOD Set 2.2: A 106 THR OG1 : rot 75:sc= 1.14 USER MOD Set 3.1: A 84 ASN : amide:sc= 1.48 K(o=2.4,f=-2.2) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 179:sc= 0.909 (180deg=0) USER MOD Set 4.1: A 42 CYS SG : rot -34:sc= 0.401 USER MOD Set 4.2: A 62 CYS SG : rot -133:sc= 0.561 USER MOD Single : A 3 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 6 SER OG : rot 68:sc= 1.24 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.5) USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 0.103 (180deg=-0.735) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -81:sc= 0.0461 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0211 (180deg=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.0326 (180deg=0.0186) USER MOD Single : A 41 THR OG1 : rot 169:sc= 0.231 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 70:sc= 0.645 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.05) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.42) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= 0.699 (180deg=0.529) USER MOD Single : A 78 THR OG1 : rot -99:sc= 0.0104 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0.599) USER MOD Single : A 93 LYS NZ :NH3+ 143:sc= 0.802 (180deg=-0.0965) USER MOD Single : A 96 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 98 GLN : amide:sc= -1.22 K(o=-1.2,f=-8.6!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 111 LYS NZ :NH3+ -122:sc= 0.0264 (180deg=-2.21!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.832 K(o=0.83,f=-0.23) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.7!) USER MOD Single : A 123 HIS : no HD1:sc=-0.00114 X(o=-0.0011,f=-0.19) USER MOD Single : A 124 HIS : no HD1:sc= -0.685 K(o=-0.68,f=0.18) USER MOD Single : A 125 HIS : no HD1:sc= -0.0564 X(o=-0.056,f=-0.0093) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.486 1.003 0.747 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.610 1.479 0.515 1.00 25.00 O HETATM 3 C2 MYR A 1 1.266 0.182 -0.268 1.00 25.00 C HETATM 4 C3 MYR A 1 0.863 -1.326 -0.260 1.00 25.00 C HETATM 5 C4 MYR A 1 1.183 -2.029 1.096 1.00 25.00 C HETATM 6 C5 MYR A 1 0.819 -3.545 1.056 1.00 25.00 C HETATM 7 C6 MYR A 1 0.989 -4.279 2.427 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.030 -3.801 3.511 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.065 -4.738 4.752 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.753 -4.030 5.953 1.00 25.00 C HETATM 11 C10 MYR A 1 -0.870 -4.915 7.235 1.00 25.00 C HETATM 12 C11 MYR A 1 -1.996 -6.010 7.177 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.452 -5.453 7.347 1.00 25.00 C HETATM 14 C13 MYR A 1 -3.795 -5.089 8.823 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.237 -4.565 8.954 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.356 -3.671 8.342 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.935 -5.332 8.617 1.00 25.00 H new HETATM 0 H141 MYR A 1 -5.442 -4.321 9.996 1.00 25.00 H new HETATM 0 H132 MYR A 1 -3.667 -5.968 9.455 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.098 -4.333 9.184 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.572 -4.568 6.723 1.00 25.00 H new HETATM 0 H121 MYR A 1 -4.164 -6.196 6.987 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.929 -6.532 6.222 1.00 25.00 H new HETATM 0 H111 MYR A 1 -1.809 -6.748 7.957 1.00 25.00 H new HETATM 0 H102 MYR A 1 0.087 -5.407 7.409 1.00 25.00 H new HETATM 0 H101 MYR A 1 -1.056 -4.267 8.092 1.00 25.00 H new HETATM 0 H92 MYR A 1 -0.193 -3.127 6.198 1.00 25.00 H new HETATM 0 H91 MYR A 1 -1.751 -3.714 5.651 1.00 25.00 H new HETATM 0 H82 MYR A 1 -0.602 -5.655 4.507 1.00 25.00 H new HETATM 0 H81 MYR A 1 0.950 -5.026 5.026 1.00 25.00 H new HETATM 0 H72 MYR A 1 0.230 -2.792 3.829 1.00 25.00 H new HETATM 0 H71 MYR A 1 -1.026 -3.749 3.071 1.00 25.00 H new HETATM 0 H62 MYR A 1 0.871 -5.352 2.275 1.00 25.00 H new HETATM 0 H61 MYR A 1 2.003 -4.119 2.794 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.214 -3.651 0.725 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.444 -4.038 0.312 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.243 -1.914 1.325 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.629 -1.542 1.899 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.204 -1.414 -0.467 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.387 -1.842 -1.064 1.00 25.00 H new HETATM 0 H22 MYR A 1 1.102 0.592 -1.264 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.332 0.270 -0.058 1.00 25.00 H new ATOM 43 N GLY A 2 1.105 1.166 1.934 1.00 25.00 N ATOM 44 CA GLY A 2 0.543 1.859 3.083 1.00 25.00 C ATOM 45 C GLY A 2 0.136 3.284 2.785 1.00 25.00 C ATOM 46 O GLY A 2 -0.879 3.752 3.285 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.327 1.308 3.441 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.274 1.859 3.891 1.00 25.00 H new ATOM 50 N GLN A 3 0.892 3.972 1.947 1.00 25.00 N ATOM 51 CA GLN A 3 0.566 5.355 1.606 1.00 25.00 C ATOM 52 C GLN A 3 -0.772 5.439 0.866 1.00 25.00 C ATOM 53 O GLN A 3 -1.569 6.348 1.111 1.00 25.00 O ATOM 54 CB GLN A 3 1.688 5.956 0.763 1.00 25.00 C ATOM 55 CG GLN A 3 2.993 6.111 1.543 1.00 25.00 C ATOM 56 CD GLN A 3 4.153 6.484 0.655 1.00 25.00 C ATOM 57 OE1 GLN A 3 4.556 7.635 0.595 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.704 5.514 -0.024 1.00 25.00 N ATOM 0 H GLN A 3 1.728 3.605 1.492 1.00 25.00 H new ATOM 0 HA GLN A 3 0.469 5.928 2.528 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.862 5.323 -0.107 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.374 6.931 0.390 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.866 6.875 2.310 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.219 5.177 2.058 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.338 4.565 0.053 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.501 5.705 -0.632 1.00 25.00 H new ATOM 67 N GLU A 4 -1.053 4.469 0.009 1.00 25.00 N ATOM 68 CA GLU A 4 -2.332 4.437 -0.701 1.00 25.00 C ATOM 69 C GLU A 4 -3.448 4.013 0.247 1.00 25.00 C ATOM 70 O GLU A 4 -4.584 4.468 0.137 1.00 25.00 O ATOM 71 CB GLU A 4 -2.270 3.478 -1.886 1.00 25.00 C ATOM 72 CG GLU A 4 -3.582 3.416 -2.643 1.00 25.00 C ATOM 73 CD GLU A 4 -3.394 3.093 -4.102 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.656 2.137 -4.414 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.981 3.808 -4.942 1.00 25.00 O ATOM 0 H GLU A 4 -0.423 3.699 -0.213 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.539 5.440 -1.075 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.476 3.792 -2.564 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.010 2.481 -1.531 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.225 2.662 -2.188 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.097 4.372 -2.550 1.00 25.00 H new ATOM 82 N LEU A 5 -3.124 3.180 1.221 1.00 25.00 N ATOM 83 CA LEU A 5 -4.116 2.772 2.209 1.00 25.00 C ATOM 84 C LEU A 5 -4.610 3.989 3.005 1.00 25.00 C ATOM 85 O LEU A 5 -5.800 4.095 3.275 1.00 25.00 O ATOM 86 CB LEU A 5 -3.554 1.695 3.142 1.00 25.00 C ATOM 87 CG LEU A 5 -3.301 0.302 2.532 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.672 -0.620 3.579 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.589 -0.336 2.013 1.00 25.00 C ATOM 0 H LEU A 5 -2.196 2.776 1.351 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.966 2.339 1.682 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.613 2.061 3.553 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.243 1.578 3.978 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.623 0.434 1.689 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.496 -1.602 3.140 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.725 -0.197 3.914 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.346 -0.718 4.430 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.365 -1.316 1.592 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.297 -0.447 2.835 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.025 0.300 1.242 1.00 25.00 H new ATOM 101 N SER A 6 -3.731 4.944 3.302 1.00 25.00 N ATOM 102 CA SER A 6 -4.155 6.205 3.937 1.00 25.00 C ATOM 103 C SER A 6 -5.019 7.077 3.016 1.00 25.00 C ATOM 104 O SER A 6 -5.820 7.875 3.485 1.00 25.00 O ATOM 105 CB SER A 6 -2.941 7.027 4.371 1.00 25.00 C ATOM 106 OG SER A 6 -1.745 6.498 3.835 1.00 25.00 O ATOM 0 H SER A 6 -2.730 4.877 3.118 1.00 25.00 H new ATOM 0 HA SER A 6 -4.754 5.916 4.800 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.063 8.060 4.045 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.879 7.042 5.459 1.00 25.00 H new ATOM 0 HG SER A 6 -1.738 6.624 2.863 1.00 25.00 H new ATOM 112 N GLN A 7 -4.851 6.932 1.710 1.00 25.00 N ATOM 113 CA GLN A 7 -5.649 7.684 0.733 1.00 25.00 C ATOM 114 C GLN A 7 -7.038 7.039 0.606 1.00 25.00 C ATOM 115 O GLN A 7 -8.034 7.691 0.280 1.00 25.00 O ATOM 116 CB GLN A 7 -4.916 7.677 -0.618 1.00 25.00 C ATOM 117 CG GLN A 7 -5.553 8.531 -1.704 1.00 25.00 C ATOM 118 CD GLN A 7 -4.696 8.591 -2.954 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.125 9.621 -3.269 1.00 25.00 O ATOM 120 NE2 GLN A 7 -4.594 7.492 -3.658 1.00 25.00 N ATOM 0 H GLN A 7 -4.168 6.299 1.294 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.777 8.716 1.060 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.894 8.021 -0.461 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.855 6.649 -0.975 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.533 8.126 -1.955 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.713 9.540 -1.325 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -5.087 6.649 -3.362 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -4.021 7.478 -4.502 1.00 25.00 H new ATOM 129 N HIS A 8 -7.095 5.744 0.880 1.00 25.00 N ATOM 130 CA HIS A 8 -8.326 4.956 0.802 1.00 25.00 C ATOM 131 C HIS A 8 -9.209 5.199 2.034 1.00 25.00 C ATOM 132 O HIS A 8 -9.287 4.351 2.908 1.00 25.00 O ATOM 133 CB HIS A 8 -7.931 3.470 0.702 1.00 25.00 C ATOM 134 CG HIS A 8 -8.932 2.610 -0.004 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.878 2.337 -1.376 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.009 1.907 0.443 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.872 1.514 -1.688 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.562 1.246 -0.611 1.00 25.00 N ATOM 0 H HIS A 8 -6.281 5.200 1.166 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.904 5.252 -0.073 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.975 3.395 0.183 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.779 3.079 1.708 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.365 1.879 1.462 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.078 1.127 -2.675 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.381 0.640 -0.567 1.00 25.00 H new ATOM 146 N GLU A 9 -9.882 6.340 2.105 1.00 25.00 N ATOM 147 CA GLU A 9 -10.681 6.709 3.295 1.00 25.00 C ATOM 148 C GLU A 9 -11.657 5.627 3.788 1.00 25.00 C ATOM 149 O GLU A 9 -11.873 5.487 4.981 1.00 25.00 O ATOM 150 CB GLU A 9 -11.460 8.004 3.043 1.00 25.00 C ATOM 151 CG GLU A 9 -10.988 9.197 3.895 1.00 25.00 C ATOM 152 CD GLU A 9 -11.161 8.983 5.407 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.282 8.682 5.866 1.00 25.00 O ATOM 154 OE2 GLU A 9 -10.174 9.165 6.150 1.00 25.00 O ATOM 0 H GLU A 9 -9.899 7.035 1.359 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.944 6.840 4.087 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.374 8.268 1.989 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.517 7.825 3.242 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -9.937 9.391 3.682 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.543 10.087 3.597 1.00 25.00 H new ATOM 161 N ARG A 10 -12.205 4.821 2.886 1.00 25.00 N ATOM 162 CA ARG A 10 -13.121 3.741 3.293 1.00 25.00 C ATOM 163 C ARG A 10 -12.418 2.683 4.159 1.00 25.00 C ATOM 164 O ARG A 10 -13.023 2.081 5.038 1.00 25.00 O ATOM 165 CB ARG A 10 -13.742 3.086 2.054 1.00 25.00 C ATOM 166 CG ARG A 10 -14.951 2.210 2.375 1.00 25.00 C ATOM 167 CD ARG A 10 -15.619 1.703 1.101 1.00 25.00 C ATOM 168 NE ARG A 10 -16.849 0.944 1.397 1.00 25.00 N ATOM 169 CZ ARG A 10 -18.067 1.465 1.529 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.304 2.750 1.407 1.00 25.00 N ATOM 171 NH2 ARG A 10 -19.069 0.674 1.788 1.00 25.00 N ATOM 0 H ARG A 10 -12.040 4.885 1.881 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.908 4.187 3.901 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -14.042 3.864 1.352 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.986 2.480 1.554 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.638 1.363 2.986 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.670 2.780 2.964 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.859 2.547 0.455 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.923 1.069 0.552 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.759 -0.066 1.510 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.539 3.393 1.203 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -19.254 3.106 1.516 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.914 -0.329 1.887 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -20.008 1.058 1.892 1.00 25.00 H new ATOM 185 N TYR A 11 -11.130 2.494 3.923 1.00 25.00 N ATOM 186 CA TYR A 11 -10.317 1.567 4.704 1.00 25.00 C ATOM 187 C TYR A 11 -9.795 2.282 5.943 1.00 25.00 C ATOM 188 O TYR A 11 -9.770 1.719 7.041 1.00 25.00 O ATOM 189 CB TYR A 11 -9.153 1.076 3.850 1.00 25.00 C ATOM 190 CG TYR A 11 -8.089 0.368 4.633 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.307 -0.920 5.148 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.846 0.982 4.871 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.299 -1.585 5.875 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.836 0.310 5.598 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.074 -0.967 6.091 1.00 25.00 C ATOM 196 OH TYR A 11 -5.090 -1.606 6.796 1.00 25.00 O ATOM 0 H TYR A 11 -10.616 2.977 3.186 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.918 0.711 5.012 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.535 0.403 3.082 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.707 1.927 3.335 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.257 -1.406 4.985 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.661 1.977 4.495 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.479 -2.576 6.264 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.883 0.788 5.769 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.998 -2.526 6.470 1.00 25.00 H new ATOM 206 N VAL A 12 -9.445 3.552 5.772 1.00 25.00 N ATOM 207 CA VAL A 12 -9.022 4.399 6.891 1.00 25.00 C ATOM 208 C VAL A 12 -10.101 4.416 7.965 1.00 25.00 C ATOM 209 O VAL A 12 -9.779 4.456 9.132 1.00 25.00 O ATOM 210 CB VAL A 12 -8.733 5.859 6.433 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.404 6.778 7.615 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.569 5.883 5.464 1.00 25.00 C ATOM 0 H VAL A 12 -9.445 4.023 4.867 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.100 3.978 7.291 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.639 6.225 5.950 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.209 7.786 7.249 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.247 6.799 8.305 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.521 6.403 8.132 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.377 6.909 5.151 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.681 5.480 5.952 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.810 5.277 4.591 1.00 25.00 H new ATOM 222 N GLU A 13 -11.368 4.333 7.579 1.00 25.00 N ATOM 223 CA GLU A 13 -12.474 4.300 8.540 1.00 25.00 C ATOM 224 C GLU A 13 -12.261 3.243 9.628 1.00 25.00 C ATOM 225 O GLU A 13 -12.271 3.559 10.817 1.00 25.00 O ATOM 226 CB GLU A 13 -13.799 4.068 7.802 1.00 25.00 C ATOM 227 CG GLU A 13 -15.039 4.535 8.568 1.00 25.00 C ATOM 228 CD GLU A 13 -15.271 3.761 9.857 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.335 2.512 9.806 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.377 4.406 10.925 1.00 25.00 O ATOM 0 H GLU A 13 -11.661 4.287 6.603 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.510 5.266 9.043 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.763 4.586 6.843 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -13.899 3.004 7.586 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.937 5.595 8.801 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.915 4.432 7.927 1.00 25.00 H new ATOM 237 N GLN A 14 -11.982 2.009 9.237 1.00 25.00 N ATOM 238 CA GLN A 14 -11.743 0.961 10.224 1.00 25.00 C ATOM 239 C GLN A 14 -10.445 1.202 10.976 1.00 25.00 C ATOM 240 O GLN A 14 -10.321 0.854 12.146 1.00 25.00 O ATOM 241 CB GLN A 14 -11.711 -0.414 9.565 1.00 25.00 C ATOM 242 CG GLN A 14 -13.090 -0.930 9.171 1.00 25.00 C ATOM 243 CD GLN A 14 -13.944 -1.354 10.369 1.00 25.00 C ATOM 244 OE1 GLN A 14 -13.616 -1.119 11.523 1.00 25.00 O ATOM 245 NE2 GLN A 14 -15.031 -2.010 10.085 1.00 25.00 N ATOM 0 H GLN A 14 -11.916 1.710 8.264 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.568 0.990 10.936 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.081 -0.368 8.677 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.247 -1.125 10.248 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.616 -0.153 8.616 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.974 -1.779 8.498 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -15.278 -2.191 9.112 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.636 -2.344 10.835 1.00 25.00 H new ATOM 254 N LEU A 15 -9.487 1.853 10.340 1.00 25.00 N ATOM 255 CA LEU A 15 -8.249 2.203 11.026 1.00 25.00 C ATOM 256 C LEU A 15 -8.458 3.322 12.049 1.00 25.00 C ATOM 257 O LEU A 15 -7.681 3.420 12.996 1.00 25.00 O ATOM 258 CB LEU A 15 -7.144 2.603 10.050 1.00 25.00 C ATOM 259 CG LEU A 15 -6.534 1.511 9.159 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.360 2.140 8.416 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.041 0.297 9.964 1.00 25.00 C ATOM 0 H LEU A 15 -9.537 2.148 9.365 1.00 25.00 H new ATOM 0 HA LEU A 15 -7.935 1.302 11.554 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.541 3.382 9.398 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.336 3.052 10.627 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.300 1.142 8.477 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.897 1.394 7.769 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.717 2.974 7.811 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.626 2.502 9.136 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.620 -0.444 9.284 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.276 0.616 10.672 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.877 -0.143 10.507 1.00 25.00 H new ATOM 273 N LYS A 16 -9.492 4.148 11.894 1.00 25.00 N ATOM 274 CA LYS A 16 -9.773 5.209 12.877 1.00 25.00 C ATOM 275 C LYS A 16 -10.032 4.497 14.193 1.00 25.00 C ATOM 276 O LYS A 16 -9.530 4.893 15.246 1.00 25.00 O ATOM 277 CB LYS A 16 -11.006 6.068 12.503 1.00 25.00 C ATOM 278 CG LYS A 16 -10.935 6.811 11.151 1.00 25.00 C ATOM 279 CD LYS A 16 -12.187 7.686 10.929 1.00 25.00 C ATOM 280 CE LYS A 16 -12.437 8.038 9.435 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.322 8.768 8.745 1.00 25.00 N ATOM 0 H LYS A 16 -10.144 4.110 11.111 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.930 5.898 12.923 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.884 5.422 12.493 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.162 6.805 13.291 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.042 7.435 11.123 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.845 6.088 10.340 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -13.060 7.165 11.323 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.082 8.609 11.499 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -12.634 7.114 8.891 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -13.340 8.645 9.370 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.659 9.701 8.433 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -10.527 8.889 9.404 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.007 8.220 7.919 1.00 25.00 H new ATOM 295 N GLN A 17 -10.765 3.398 14.109 1.00 25.00 N ATOM 296 CA GLN A 17 -11.028 2.561 15.272 1.00 25.00 C ATOM 297 C GLN A 17 -9.790 1.754 15.661 1.00 25.00 C ATOM 298 O GLN A 17 -9.451 1.676 16.831 1.00 25.00 O ATOM 299 CB GLN A 17 -12.177 1.594 14.973 1.00 25.00 C ATOM 300 CG GLN A 17 -13.538 2.261 14.838 1.00 25.00 C ATOM 301 CD GLN A 17 -14.367 2.131 16.099 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.872 2.303 17.211 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.622 1.808 15.936 1.00 25.00 N ATOM 0 H GLN A 17 -11.190 3.063 13.245 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.297 3.217 16.100 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.955 1.059 14.050 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.227 0.851 15.769 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.402 3.316 14.602 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.078 1.815 14.003 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.996 1.674 14.997 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.228 1.690 16.748 1.00 25.00 H new ATOM 312 N ALA A 18 -9.131 1.125 14.700 1.00 25.00 N ATOM 313 CA ALA A 18 -8.012 0.234 15.010 1.00 25.00 C ATOM 314 C ALA A 18 -6.833 0.945 15.707 1.00 25.00 C ATOM 315 O ALA A 18 -6.304 0.437 16.692 1.00 25.00 O ATOM 316 CB ALA A 18 -7.531 -0.473 13.737 1.00 25.00 C ATOM 0 H ALA A 18 -9.345 1.210 13.706 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.390 -0.500 15.722 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.698 -1.133 13.980 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.348 -1.059 13.316 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.205 0.270 13.009 1.00 25.00 H new ATOM 322 N LEU A 19 -6.431 2.117 15.224 1.00 25.00 N ATOM 323 CA LEU A 19 -5.331 2.854 15.863 1.00 25.00 C ATOM 324 C LEU A 19 -5.754 3.247 17.283 1.00 25.00 C ATOM 325 O LEU A 19 -4.972 3.157 18.229 1.00 25.00 O ATOM 326 CB LEU A 19 -4.957 4.130 15.077 1.00 25.00 C ATOM 327 CG LEU A 19 -3.816 4.041 14.034 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.277 3.519 12.676 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.195 5.425 13.831 1.00 25.00 C ATOM 0 H LEU A 19 -6.837 2.575 14.408 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.456 2.204 15.882 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.852 4.478 14.562 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.687 4.899 15.801 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.091 3.332 14.433 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.428 3.482 11.993 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.693 2.518 12.793 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.040 4.184 12.271 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.392 5.359 13.097 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.958 6.117 13.474 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.792 5.785 14.778 1.00 25.00 H new ATOM 341 N LYS A 20 -7.004 3.669 17.430 1.00 25.00 N ATOM 342 CA LYS A 20 -7.529 4.104 18.730 1.00 25.00 C ATOM 343 C LYS A 20 -7.623 2.955 19.733 1.00 25.00 C ATOM 344 O LYS A 20 -7.281 3.119 20.901 1.00 25.00 O ATOM 345 CB LYS A 20 -8.913 4.741 18.529 1.00 25.00 C ATOM 346 CG LYS A 20 -9.571 5.265 19.807 1.00 25.00 C ATOM 347 CD LYS A 20 -10.652 4.301 20.309 1.00 25.00 C ATOM 348 CE LYS A 20 -11.300 4.817 21.586 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.338 3.850 22.091 1.00 25.00 N ATOM 0 H LYS A 20 -7.679 3.721 16.667 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.833 4.834 19.144 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.819 5.565 17.822 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.574 4.004 18.073 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.814 5.401 20.579 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -10.012 6.243 19.617 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.413 4.171 19.539 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.212 3.321 20.492 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.537 4.969 22.350 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.761 5.787 21.398 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.766 4.224 22.962 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.076 3.725 21.369 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.890 2.933 22.291 1.00 25.00 H new ATOM 363 N THR A 21 -8.106 1.807 19.290 1.00 25.00 N ATOM 364 CA THR A 21 -8.313 0.657 20.179 1.00 25.00 C ATOM 365 C THR A 21 -6.996 0.066 20.648 1.00 25.00 C ATOM 366 O THR A 21 -6.943 -0.589 21.682 1.00 25.00 O ATOM 367 CB THR A 21 -9.120 -0.463 19.480 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.535 -0.756 18.213 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.564 -0.043 19.236 1.00 25.00 C ATOM 0 H THR A 21 -8.365 1.638 18.318 1.00 25.00 H new ATOM 0 HA THR A 21 -8.871 1.035 21.036 1.00 25.00 H new ATOM 0 HB THR A 21 -9.102 -1.334 20.135 1.00 25.00 H new ATOM 0 HG1 THR A 21 -8.829 -0.091 17.555 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.101 -0.854 18.744 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.043 0.183 20.189 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.583 0.843 18.601 1.00 25.00 H new ATOM 377 N ARG A 22 -5.922 0.332 19.918 1.00 25.00 N ATOM 378 CA ARG A 22 -4.605 -0.156 20.308 1.00 25.00 C ATOM 379 C ARG A 22 -4.086 0.578 21.544 1.00 25.00 C ATOM 380 O ARG A 22 -3.218 0.079 22.252 1.00 25.00 O ATOM 381 CB ARG A 22 -3.634 -0.007 19.132 1.00 25.00 C ATOM 382 CG ARG A 22 -2.348 -0.812 19.265 1.00 25.00 C ATOM 383 CD ARG A 22 -2.619 -2.306 19.305 1.00 25.00 C ATOM 384 NE ARG A 22 -2.594 -2.823 20.683 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.919 -4.059 21.040 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.359 -4.939 20.179 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.792 -4.418 22.283 1.00 25.00 N ATOM 0 H ARG A 22 -5.935 0.880 19.058 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.686 -1.211 20.570 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.143 -0.309 18.217 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.378 1.047 19.021 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.689 -0.585 18.427 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -1.824 -0.513 20.173 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.590 -2.513 18.856 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -1.873 -2.828 18.706 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.304 -2.181 21.421 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.462 -4.684 19.197 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -3.599 -5.880 20.490 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.445 -3.752 22.973 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.039 -5.366 22.568 1.00 25.00 H new ATOM 401 N GLY A 23 -4.645 1.752 21.808 1.00 25.00 N ATOM 402 CA GLY A 23 -4.304 2.501 23.009 1.00 25.00 C ATOM 403 C GLY A 23 -3.013 3.289 22.914 1.00 25.00 C ATOM 404 O GLY A 23 -2.521 3.794 23.917 1.00 25.00 O ATOM 0 H GLY A 23 -5.335 2.205 21.208 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.119 3.189 23.236 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.230 1.807 23.846 1.00 25.00 H new ATOM 408 N VAL A 24 -2.466 3.414 21.714 1.00 25.00 N ATOM 409 CA VAL A 24 -1.209 4.138 21.518 1.00 25.00 C ATOM 410 C VAL A 24 -1.425 5.244 20.488 1.00 25.00 C ATOM 411 O VAL A 24 -2.048 5.043 19.447 1.00 25.00 O ATOM 412 CB VAL A 24 -0.045 3.154 21.134 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.380 2.338 19.875 1.00 25.00 C ATOM 414 CG2 VAL A 24 1.283 3.908 20.963 1.00 25.00 C ATOM 0 H VAL A 24 -2.868 3.026 20.860 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.900 4.609 22.451 1.00 25.00 H new ATOM 0 HB VAL A 24 0.068 2.450 21.958 1.00 25.00 H new ATOM 0 HG11 VAL A 24 0.450 1.670 19.643 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.281 1.750 20.051 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.547 3.014 19.037 1.00 25.00 H new ATOM 0 HG21 VAL A 24 2.070 3.203 20.698 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.180 4.651 20.172 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.542 4.406 21.898 1.00 25.00 H new ATOM 424 N LYS A 25 -0.974 6.445 20.824 1.00 25.00 N ATOM 425 CA LYS A 25 -1.194 7.614 19.971 1.00 25.00 C ATOM 426 C LYS A 25 -0.131 7.690 18.881 1.00 25.00 C ATOM 427 O LYS A 25 0.849 8.413 19.010 1.00 25.00 O ATOM 428 CB LYS A 25 -1.165 8.896 20.815 1.00 25.00 C ATOM 429 CG LYS A 25 -2.261 8.955 21.879 1.00 25.00 C ATOM 430 CD LYS A 25 -2.185 10.257 22.671 1.00 25.00 C ATOM 431 CE LYS A 25 -3.240 10.285 23.778 1.00 25.00 C ATOM 432 NZ LYS A 25 -3.177 11.561 24.579 1.00 25.00 N ATOM 0 H LYS A 25 -0.454 6.639 21.680 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.172 7.517 19.500 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.193 8.978 21.302 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.265 9.758 20.155 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.239 8.871 21.404 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.161 8.107 22.556 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.192 10.365 23.107 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.333 11.104 22.001 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -4.232 10.181 23.338 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -3.094 9.432 24.441 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.907 11.543 25.319 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.239 11.648 25.020 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -3.341 12.374 23.951 1.00 25.00 H new ATOM 446 N VAL A 26 -0.357 6.973 17.794 1.00 25.00 N ATOM 447 CA VAL A 26 0.542 7.009 16.643 1.00 25.00 C ATOM 448 C VAL A 26 -0.111 7.919 15.613 1.00 25.00 C ATOM 449 O VAL A 26 -1.315 7.834 15.380 1.00 25.00 O ATOM 450 CB VAL A 26 0.768 5.581 16.040 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.786 5.620 14.888 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.277 4.625 17.122 1.00 25.00 C ATOM 0 H VAL A 26 -1.159 6.354 17.680 1.00 25.00 H new ATOM 0 HA VAL A 26 1.523 7.378 16.942 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.189 5.229 15.654 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.923 4.615 14.489 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.418 6.276 14.099 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.740 5.996 15.258 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.430 3.636 16.691 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.221 4.997 17.521 1.00 25.00 H new ATOM 0 HG23 VAL A 26 0.543 4.561 17.925 1.00 25.00 H new ATOM 462 N LYS A 27 0.663 8.809 15.010 1.00 25.00 N ATOM 463 CA LYS A 27 0.133 9.684 13.967 1.00 25.00 C ATOM 464 C LYS A 27 -0.242 8.781 12.797 1.00 25.00 C ATOM 465 O LYS A 27 0.508 7.885 12.446 1.00 25.00 O ATOM 466 CB LYS A 27 1.200 10.702 13.555 1.00 25.00 C ATOM 467 CG LYS A 27 0.761 11.748 12.522 1.00 25.00 C ATOM 468 CD LYS A 27 -0.232 12.760 13.108 1.00 25.00 C ATOM 469 CE LYS A 27 -0.610 13.839 12.085 1.00 25.00 C ATOM 470 NZ LYS A 27 0.583 14.668 11.672 1.00 25.00 N ATOM 0 H LYS A 27 1.652 8.946 15.220 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.735 10.246 14.311 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.542 11.223 14.449 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.057 10.160 13.154 1.00 25.00 H new ATOM 0 HG2 LYS A 27 1.638 12.277 12.148 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.304 11.245 11.670 1.00 25.00 H new ATOM 0 HD2 LYS A 27 -1.131 12.239 13.437 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.205 13.230 13.989 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -1.046 13.367 11.205 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -1.374 14.490 12.510 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 0.259 15.504 11.145 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 1.104 14.973 12.519 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.209 14.099 11.067 1.00 25.00 H new ATOM 484 N PHE A 28 -1.405 9.011 12.207 1.00 25.00 N ATOM 485 CA PHE A 28 -1.906 8.155 11.131 1.00 25.00 C ATOM 486 C PHE A 28 -0.911 7.944 9.992 1.00 25.00 C ATOM 487 O PHE A 28 -0.676 6.818 9.574 1.00 25.00 O ATOM 488 CB PHE A 28 -3.197 8.750 10.572 1.00 25.00 C ATOM 489 CG PHE A 28 -4.368 7.828 10.675 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.561 6.823 9.715 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.281 7.944 11.740 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.652 5.940 9.807 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.388 7.068 11.836 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.572 6.070 10.865 1.00 25.00 C ATOM 0 H PHE A 28 -2.024 9.784 12.452 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.081 7.174 11.573 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.423 9.674 11.105 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.043 9.015 9.526 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.864 6.726 8.896 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.135 8.708 12.490 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.784 5.164 9.068 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.088 7.166 12.652 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.419 5.403 10.930 1.00 25.00 H new ATOM 504 N ALA A 29 -0.302 9.024 9.520 1.00 25.00 N ATOM 505 CA ALA A 29 0.661 8.940 8.425 1.00 25.00 C ATOM 506 C ALA A 29 1.852 8.050 8.792 1.00 25.00 C ATOM 507 O ALA A 29 2.337 7.286 7.973 1.00 25.00 O ATOM 508 CB ALA A 29 1.148 10.349 8.057 1.00 25.00 C ATOM 0 H ALA A 29 -0.456 9.967 9.876 1.00 25.00 H new ATOM 0 HA ALA A 29 0.162 8.489 7.567 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.866 10.284 7.240 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.299 10.958 7.746 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.625 10.807 8.924 1.00 25.00 H new ATOM 514 N ASP A 30 2.311 8.147 10.030 1.00 25.00 N ATOM 515 CA ASP A 30 3.465 7.378 10.478 1.00 25.00 C ATOM 516 C ASP A 30 3.105 5.915 10.681 1.00 25.00 C ATOM 517 O ASP A 30 3.951 5.049 10.545 1.00 25.00 O ATOM 518 CB ASP A 30 4.024 7.972 11.768 1.00 25.00 C ATOM 519 CG ASP A 30 4.680 9.320 11.535 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.831 9.347 11.053 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.013 10.356 11.770 1.00 25.00 O ATOM 0 H ASP A 30 1.903 8.751 10.744 1.00 25.00 H new ATOM 0 HA ASP A 30 4.230 7.430 9.703 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.220 8.081 12.495 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.752 7.284 12.198 1.00 25.00 H new ATOM 526 N LEU A 31 1.843 5.622 10.963 1.00 25.00 N ATOM 527 CA LEU A 31 1.425 4.228 11.082 1.00 25.00 C ATOM 528 C LEU A 31 1.440 3.592 9.697 1.00 25.00 C ATOM 529 O LEU A 31 2.076 2.561 9.471 1.00 25.00 O ATOM 530 CB LEU A 31 0.029 4.119 11.720 1.00 25.00 C ATOM 531 CG LEU A 31 -0.531 2.711 12.039 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.287 2.120 10.850 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.544 1.724 12.488 1.00 25.00 C ATOM 0 H LEU A 31 1.105 6.310 11.111 1.00 25.00 H new ATOM 0 HA LEU A 31 2.119 3.699 11.735 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.044 4.688 12.650 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.679 4.614 11.055 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.219 2.860 12.871 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.664 1.132 11.113 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.122 2.770 10.590 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.614 2.036 9.997 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.086 0.757 12.696 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.287 1.611 11.699 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.027 2.098 13.391 1.00 25.00 H new ATOM 545 N LEU A 32 0.762 4.232 8.756 1.00 25.00 N ATOM 546 CA LEU A 32 0.713 3.721 7.382 1.00 25.00 C ATOM 547 C LEU A 32 2.074 3.732 6.688 1.00 25.00 C ATOM 548 O LEU A 32 2.307 2.953 5.775 1.00 25.00 O ATOM 549 CB LEU A 32 -0.288 4.507 6.531 1.00 25.00 C ATOM 550 CG LEU A 32 -1.773 4.101 6.605 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.001 2.599 6.420 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.376 4.544 7.910 1.00 25.00 C ATOM 0 H LEU A 32 0.242 5.096 8.909 1.00 25.00 H new ATOM 0 HA LEU A 32 0.390 2.684 7.470 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.214 5.557 6.813 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.027 4.433 5.490 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.265 4.605 5.773 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.067 2.382 6.483 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.626 2.292 5.444 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.473 2.052 7.201 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.425 4.249 7.945 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.840 4.076 8.736 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.301 5.628 7.996 1.00 25.00 H new ATOM 564 N LYS A 33 2.995 4.558 7.158 1.00 25.00 N ATOM 565 CA LYS A 33 4.368 4.547 6.636 1.00 25.00 C ATOM 566 C LYS A 33 4.973 3.148 6.767 1.00 25.00 C ATOM 567 O LYS A 33 5.617 2.644 5.854 1.00 25.00 O ATOM 568 CB LYS A 33 5.219 5.557 7.412 1.00 25.00 C ATOM 569 CG LYS A 33 6.648 5.686 6.928 1.00 25.00 C ATOM 570 CD LYS A 33 7.385 6.712 7.770 1.00 25.00 C ATOM 571 CE LYS A 33 8.816 6.887 7.291 1.00 25.00 C ATOM 572 NZ LYS A 33 9.527 7.918 8.120 1.00 25.00 N ATOM 0 H LYS A 33 2.827 5.243 7.895 1.00 25.00 H new ATOM 0 HA LYS A 33 4.350 4.823 5.582 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.741 6.535 7.354 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.231 5.270 8.463 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.151 4.721 6.991 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.661 5.985 5.880 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.863 7.668 7.723 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.383 6.399 8.814 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.345 5.936 7.352 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.821 7.188 6.243 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.504 8.025 7.779 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.031 8.829 8.041 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.539 7.615 9.115 1.00 25.00 H new ATOM 586 N PHE A 34 4.731 2.506 7.898 1.00 25.00 N ATOM 587 CA PHE A 34 5.243 1.158 8.137 1.00 25.00 C ATOM 588 C PHE A 34 4.427 0.101 7.400 1.00 25.00 C ATOM 589 O PHE A 34 4.941 -0.962 7.075 1.00 25.00 O ATOM 590 CB PHE A 34 5.327 0.882 9.635 1.00 25.00 C ATOM 591 CG PHE A 34 6.526 1.530 10.277 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.476 2.876 10.675 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.726 0.814 10.446 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.606 3.513 11.234 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.870 1.442 11.007 1.00 25.00 C ATOM 596 CZ PHE A 34 8.804 2.797 11.395 1.00 25.00 C ATOM 0 H PHE A 34 4.184 2.892 8.667 1.00 25.00 H new ATOM 0 HA PHE A 34 6.252 1.099 7.729 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.420 1.244 10.119 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.368 -0.195 9.801 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.559 3.433 10.552 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.777 -0.222 10.146 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.549 4.548 11.537 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.786 0.885 11.136 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.673 3.283 11.815 1.00 25.00 H new ATOM 606 N PHE A 35 3.177 0.407 7.081 1.00 25.00 N ATOM 607 CA PHE A 35 2.355 -0.495 6.265 1.00 25.00 C ATOM 608 C PHE A 35 2.903 -0.528 4.826 1.00 25.00 C ATOM 609 O PHE A 35 2.640 -1.458 4.085 1.00 25.00 O ATOM 610 CB PHE A 35 0.881 -0.059 6.250 1.00 25.00 C ATOM 611 CG PHE A 35 0.081 -0.506 7.461 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.632 -0.509 8.763 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.252 -0.935 7.294 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.133 -0.949 9.870 1.00 25.00 C ATOM 615 CE2 PHE A 35 -2.023 -1.372 8.401 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.461 -1.380 9.685 1.00 25.00 C ATOM 0 H PHE A 35 2.707 1.265 7.369 1.00 25.00 H new ATOM 0 HA PHE A 35 2.404 -1.491 6.706 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.837 1.028 6.182 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.407 -0.454 5.351 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.647 -0.172 8.915 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.692 -0.931 6.308 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.303 -0.954 10.858 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.042 -1.698 8.255 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.044 -1.716 10.530 1.00 25.00 H new ATOM 626 N ASP A 36 3.689 0.468 4.438 1.00 25.00 N ATOM 627 CA ASP A 36 4.364 0.442 3.132 1.00 25.00 C ATOM 628 C ASP A 36 5.681 -0.337 3.233 1.00 25.00 C ATOM 629 O ASP A 36 6.108 -0.991 2.294 1.00 25.00 O ATOM 630 CB ASP A 36 4.633 1.868 2.648 1.00 25.00 C ATOM 631 CG ASP A 36 4.328 2.047 1.169 1.00 25.00 C ATOM 632 OD1 ASP A 36 4.903 1.331 0.325 1.00 25.00 O ATOM 633 OD2 ASP A 36 3.450 2.886 0.857 1.00 25.00 O ATOM 0 H ASP A 36 3.878 1.300 4.998 1.00 25.00 H new ATOM 0 HA ASP A 36 3.715 -0.057 2.412 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.028 2.565 3.228 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.677 2.121 2.834 1.00 25.00 H new ATOM 638 N PHE A 37 6.305 -0.288 4.402 1.00 25.00 N ATOM 639 CA PHE A 37 7.589 -0.960 4.625 1.00 25.00 C ATOM 640 C PHE A 37 7.495 -2.489 4.528 1.00 25.00 C ATOM 641 O PHE A 37 8.435 -3.142 4.090 1.00 25.00 O ATOM 642 CB PHE A 37 8.153 -0.553 5.991 1.00 25.00 C ATOM 643 CG PHE A 37 9.565 -1.020 6.227 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.634 -0.458 5.502 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.837 -2.024 7.175 1.00 25.00 C ATOM 646 CE1 PHE A 37 11.966 -0.895 5.717 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.167 -2.469 7.399 1.00 25.00 C ATOM 648 CZ PHE A 37 12.231 -1.901 6.668 1.00 25.00 C ATOM 0 H PHE A 37 5.946 0.210 5.216 1.00 25.00 H new ATOM 0 HA PHE A 37 8.260 -0.639 3.828 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.120 0.533 6.079 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.511 -0.956 6.774 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.437 0.315 4.774 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.026 -2.461 7.738 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.776 -0.457 5.153 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.363 -3.241 8.128 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.244 -2.235 6.836 1.00 25.00 H new ATOM 658 N VAL A 38 6.355 -3.068 4.889 1.00 25.00 N ATOM 659 CA VAL A 38 6.188 -4.524 4.746 1.00 25.00 C ATOM 660 C VAL A 38 6.225 -4.893 3.263 1.00 25.00 C ATOM 661 O VAL A 38 6.844 -5.877 2.890 1.00 25.00 O ATOM 662 CB VAL A 38 4.876 -5.078 5.441 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.831 -3.996 5.613 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.263 -6.265 4.654 1.00 25.00 C ATOM 0 H VAL A 38 5.549 -2.575 5.273 1.00 25.00 H new ATOM 0 HA VAL A 38 7.017 -5.002 5.268 1.00 25.00 H new ATOM 0 HB VAL A 38 5.181 -5.431 6.426 1.00 25.00 H new ATOM 0 HG11 VAL A 38 2.947 -4.417 6.093 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.235 -3.196 6.233 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.558 -3.596 4.637 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.366 -6.615 5.164 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.004 -5.939 3.647 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.988 -7.077 4.597 1.00 25.00 H new ATOM 674 N LYS A 39 5.614 -4.073 2.416 1.00 25.00 N ATOM 675 CA LYS A 39 5.625 -4.311 0.968 1.00 25.00 C ATOM 676 C LYS A 39 7.053 -4.197 0.447 1.00 25.00 C ATOM 677 O LYS A 39 7.460 -4.955 -0.411 1.00 25.00 O ATOM 678 CB LYS A 39 4.697 -3.292 0.280 1.00 25.00 C ATOM 679 CG LYS A 39 4.772 -3.220 -1.257 1.00 25.00 C ATOM 680 CD LYS A 39 5.089 -1.787 -1.749 1.00 25.00 C ATOM 681 CE LYS A 39 6.521 -1.362 -1.390 1.00 25.00 C ATOM 682 NZ LYS A 39 6.880 -0.006 -1.885 1.00 25.00 N ATOM 0 H LYS A 39 5.104 -3.237 2.701 1.00 25.00 H new ATOM 0 HA LYS A 39 5.260 -5.314 0.747 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.669 -3.523 0.561 1.00 25.00 H new ATOM 0 HB3 LYS A 39 4.922 -2.303 0.679 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.539 -3.906 -1.616 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.825 -3.550 -1.683 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.955 -1.736 -2.830 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.381 -1.086 -1.307 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.638 -1.387 -0.307 1.00 25.00 H new ATOM 0 HE3 LYS A 39 7.221 -2.088 -1.803 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.901 0.150 -1.760 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 6.639 0.070 -2.894 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.352 0.711 -1.348 1.00 25.00 H new ATOM 696 N ASP A 40 7.805 -3.255 0.992 1.00 25.00 N ATOM 697 CA ASP A 40 9.177 -3.001 0.548 1.00 25.00 C ATOM 698 C ASP A 40 10.078 -4.222 0.749 1.00 25.00 C ATOM 699 O ASP A 40 10.739 -4.681 -0.175 1.00 25.00 O ATOM 700 CB ASP A 40 9.726 -1.793 1.313 1.00 25.00 C ATOM 701 CG ASP A 40 10.853 -1.106 0.581 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.028 -1.452 0.816 1.00 25.00 O ATOM 703 OD2 ASP A 40 10.558 -0.153 -0.176 1.00 25.00 O ATOM 0 H ASP A 40 7.491 -2.647 1.748 1.00 25.00 H new ATOM 0 HA ASP A 40 9.165 -2.792 -0.522 1.00 25.00 H new ATOM 0 HB2 ASP A 40 8.920 -1.079 1.484 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.078 -2.117 2.292 1.00 25.00 H new ATOM 708 N THR A 41 10.067 -4.780 1.952 1.00 25.00 N ATOM 709 CA THR A 41 10.876 -5.967 2.245 1.00 25.00 C ATOM 710 C THR A 41 10.245 -7.241 1.663 1.00 25.00 C ATOM 711 O THR A 41 10.925 -8.234 1.405 1.00 25.00 O ATOM 712 CB THR A 41 11.044 -6.131 3.768 1.00 25.00 C ATOM 713 OG1 THR A 41 11.268 -4.845 4.351 1.00 25.00 O ATOM 714 CG2 THR A 41 12.231 -7.011 4.110 1.00 25.00 C ATOM 0 H THR A 41 9.514 -4.438 2.738 1.00 25.00 H new ATOM 0 HA THR A 41 11.850 -5.823 1.778 1.00 25.00 H new ATOM 0 HB THR A 41 10.137 -6.596 4.156 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.205 -4.913 5.327 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.316 -7.102 5.193 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.089 -7.999 3.672 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.142 -6.565 3.711 1.00 25.00 H new ATOM 722 N CYS A 42 8.935 -7.215 1.471 1.00 25.00 N ATOM 723 CA CYS A 42 8.199 -8.357 0.929 1.00 25.00 C ATOM 724 C CYS A 42 7.352 -7.963 -0.288 1.00 25.00 C ATOM 725 O CYS A 42 6.130 -7.822 -0.174 1.00 25.00 O ATOM 726 CB CYS A 42 7.276 -8.941 2.002 1.00 25.00 C ATOM 727 SG CYS A 42 8.141 -9.511 3.471 1.00 25.00 S ATOM 0 H CYS A 42 8.350 -6.407 1.684 1.00 25.00 H new ATOM 0 HA CYS A 42 8.935 -9.098 0.615 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.547 -8.184 2.292 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.718 -9.774 1.574 1.00 25.00 H new ATOM 0 HG CYS A 42 9.299 -9.995 3.132 1.00 25.00 H new ATOM 733 N PRO A 43 7.966 -7.853 -1.481 1.00 25.00 N ATOM 734 CA PRO A 43 7.187 -7.481 -2.673 1.00 25.00 C ATOM 735 C PRO A 43 6.265 -8.609 -3.136 1.00 25.00 C ATOM 736 O PRO A 43 5.390 -8.430 -3.982 1.00 25.00 O ATOM 737 CB PRO A 43 8.274 -7.173 -3.703 1.00 25.00 C ATOM 738 CG PRO A 43 9.390 -8.079 -3.326 1.00 25.00 C ATOM 739 CD PRO A 43 9.388 -8.073 -1.814 1.00 25.00 C ATOM 0 HA PRO A 43 6.511 -6.644 -2.496 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.928 -7.366 -4.719 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.578 -6.127 -3.663 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.236 -9.084 -3.719 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.341 -7.724 -3.723 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.756 -9.015 -1.407 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.023 -7.283 -1.413 1.00 25.00 H new ATOM 747 N TRP A 44 6.442 -9.775 -2.535 1.00 25.00 N ATOM 748 CA TRP A 44 5.585 -10.925 -2.780 1.00 25.00 C ATOM 749 C TRP A 44 4.384 -10.949 -1.829 1.00 25.00 C ATOM 750 O TRP A 44 3.457 -11.719 -2.034 1.00 25.00 O ATOM 751 CB TRP A 44 6.403 -12.200 -2.622 1.00 25.00 C ATOM 752 CG TRP A 44 7.456 -12.061 -1.574 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.270 -11.943 -0.245 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.882 -11.997 -1.770 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.452 -11.822 0.425 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.474 -11.845 -0.481 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.721 -12.040 -2.903 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.865 -11.737 -0.298 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.124 -11.931 -2.723 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.679 -11.780 -1.417 1.00 25.00 C ATOM 0 H TRP A 44 7.187 -9.951 -1.861 1.00 25.00 H new ATOM 0 HA TRP A 44 5.196 -10.854 -3.796 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.741 -13.026 -2.363 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.870 -12.452 -3.574 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.301 -11.944 0.233 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.556 -11.730 1.436 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.302 -12.154 -3.892 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.287 -11.624 0.690 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.778 -11.963 -3.582 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.749 -11.698 -1.300 1.00 25.00 H new ATOM 771 N PHE A 45 4.371 -10.095 -0.814 1.00 25.00 N ATOM 772 CA PHE A 45 3.226 -10.036 0.103 1.00 25.00 C ATOM 773 C PHE A 45 1.975 -9.465 -0.592 1.00 25.00 C ATOM 774 O PHE A 45 0.911 -10.089 -0.544 1.00 25.00 O ATOM 775 CB PHE A 45 3.566 -9.234 1.364 1.00 25.00 C ATOM 776 CG PHE A 45 2.510 -9.313 2.430 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.476 -10.407 3.317 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.542 -8.300 2.557 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.491 -10.487 4.334 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.549 -8.372 3.566 1.00 25.00 C ATOM 781 CZ PHE A 45 0.527 -9.466 4.456 1.00 25.00 C ATOM 0 H PHE A 45 5.124 -9.441 -0.601 1.00 25.00 H new ATOM 0 HA PHE A 45 2.999 -11.058 0.406 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.510 -9.597 1.772 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.717 -8.190 1.091 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.209 -11.194 3.221 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.556 -7.459 1.879 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.480 -11.327 5.013 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.190 -7.590 3.653 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.226 -9.521 5.228 1.00 25.00 H new ATOM 791 N PRO A 46 2.087 -8.319 -1.311 1.00 25.00 N ATOM 792 CA PRO A 46 0.847 -7.975 -2.018 1.00 25.00 C ATOM 793 C PRO A 46 0.530 -8.938 -3.167 1.00 25.00 C ATOM 794 O PRO A 46 -0.614 -9.057 -3.576 1.00 25.00 O ATOM 795 CB PRO A 46 1.130 -6.562 -2.536 1.00 25.00 C ATOM 796 CG PRO A 46 2.589 -6.537 -2.746 1.00 25.00 C ATOM 797 CD PRO A 46 3.141 -7.314 -1.580 1.00 25.00 C ATOM 0 HA PRO A 46 -0.029 -8.039 -1.372 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.591 -6.362 -3.462 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.819 -5.805 -1.817 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.863 -6.996 -3.696 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.972 -5.517 -2.762 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.093 -7.785 -1.825 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.316 -6.673 -0.716 1.00 25.00 H new ATOM 805 N GLN A 47 1.541 -9.647 -3.658 1.00 25.00 N ATOM 806 CA GLN A 47 1.352 -10.608 -4.744 1.00 25.00 C ATOM 807 C GLN A 47 0.569 -11.846 -4.281 1.00 25.00 C ATOM 808 O GLN A 47 -0.248 -12.373 -5.029 1.00 25.00 O ATOM 809 CB GLN A 47 2.715 -11.021 -5.314 1.00 25.00 C ATOM 810 CG GLN A 47 2.637 -11.728 -6.662 1.00 25.00 C ATOM 811 CD GLN A 47 4.006 -11.949 -7.274 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.707 -12.900 -6.949 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.396 -11.065 -8.155 1.00 25.00 N ATOM 0 H GLN A 47 2.501 -9.576 -3.322 1.00 25.00 H new ATOM 0 HA GLN A 47 0.763 -10.124 -5.523 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.338 -10.133 -5.417 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.212 -11.677 -4.600 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.137 -12.689 -6.538 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.027 -11.137 -7.345 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.785 -10.286 -8.401 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.311 -11.154 -8.596 1.00 25.00 H new ATOM 822 N GLU A 48 0.799 -12.309 -3.055 1.00 25.00 N ATOM 823 CA GLU A 48 0.041 -13.457 -2.537 1.00 25.00 C ATOM 824 C GLU A 48 -1.356 -13.006 -2.092 1.00 25.00 C ATOM 825 O GLU A 48 -2.280 -13.817 -2.007 1.00 25.00 O ATOM 826 CB GLU A 48 0.798 -14.199 -1.413 1.00 25.00 C ATOM 827 CG GLU A 48 0.965 -13.449 -0.082 1.00 25.00 C ATOM 828 CD GLU A 48 1.760 -14.264 0.955 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.770 -15.520 0.864 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.318 -13.670 1.898 1.00 25.00 O ATOM 0 H GLU A 48 1.487 -11.921 -2.410 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.074 -14.179 -3.345 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.277 -15.136 -1.213 1.00 25.00 H new ATOM 0 HB3 GLU A 48 1.789 -14.458 -1.784 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.473 -12.502 -0.263 1.00 25.00 H new ATOM 0 HG3 GLU A 48 -0.018 -13.211 0.324 1.00 25.00 H new ATOM 837 N GLY A 49 -1.509 -11.703 -1.870 1.00 25.00 N ATOM 838 CA GLY A 49 -2.815 -11.091 -1.638 1.00 25.00 C ATOM 839 C GLY A 49 -3.634 -11.641 -0.487 1.00 25.00 C ATOM 840 O GLY A 49 -4.848 -11.487 -0.469 1.00 25.00 O ATOM 0 H GLY A 49 -0.732 -11.042 -1.846 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.665 -10.025 -1.469 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.403 -11.189 -2.551 1.00 25.00 H new ATOM 844 N THR A 50 -2.994 -12.320 0.449 1.00 25.00 N ATOM 845 CA THR A 50 -3.708 -12.982 1.535 1.00 25.00 C ATOM 846 C THR A 50 -3.053 -12.607 2.852 1.00 25.00 C ATOM 847 O THR A 50 -1.828 -12.592 2.960 1.00 25.00 O ATOM 848 CB THR A 50 -3.682 -14.504 1.345 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.128 -14.835 0.027 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.592 -15.208 2.347 1.00 25.00 C ATOM 0 H THR A 50 -1.980 -12.429 0.482 1.00 25.00 H new ATOM 0 HA THR A 50 -4.749 -12.659 1.536 1.00 25.00 H new ATOM 0 HB THR A 50 -2.656 -14.836 1.501 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.455 -14.552 -0.627 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.549 -16.285 2.183 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.261 -14.981 3.361 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.617 -14.861 2.214 1.00 25.00 H new ATOM 858 N ILE A 51 -3.866 -12.255 3.835 1.00 25.00 N ATOM 859 CA ILE A 51 -3.382 -11.700 5.089 1.00 25.00 C ATOM 860 C ILE A 51 -3.890 -12.524 6.270 1.00 25.00 C ATOM 861 O ILE A 51 -5.030 -12.416 6.707 1.00 25.00 O ATOM 862 CB ILE A 51 -3.824 -10.213 5.207 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.268 -9.419 4.007 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.334 -9.570 6.536 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.784 -8.032 3.898 1.00 25.00 C ATOM 0 H ILE A 51 -4.881 -12.346 3.786 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.293 -11.740 5.104 1.00 25.00 H new ATOM 0 HB ILE A 51 -4.914 -10.182 5.206 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.181 -9.385 4.082 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.507 -9.956 3.089 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.663 -8.532 6.581 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.750 -10.119 7.381 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.246 -9.608 6.579 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.342 -7.547 3.028 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.868 -8.055 3.789 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.521 -7.474 4.797 1.00 25.00 H new ATOM 877 N ASP A 52 -2.998 -13.337 6.807 1.00 25.00 N ATOM 878 CA ASP A 52 -3.274 -14.111 8.009 1.00 25.00 C ATOM 879 C ASP A 52 -1.972 -14.150 8.769 1.00 25.00 C ATOM 880 O ASP A 52 -0.921 -13.874 8.199 1.00 25.00 O ATOM 881 CB ASP A 52 -3.720 -15.535 7.696 1.00 25.00 C ATOM 882 CG ASP A 52 -3.959 -16.344 8.955 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.616 -15.818 9.886 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.302 -17.395 9.106 1.00 25.00 O ATOM 0 H ASP A 52 -2.063 -13.481 6.425 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.087 -13.653 8.572 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.635 -15.507 7.104 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.961 -16.027 7.087 1.00 25.00 H new ATOM 889 N ILE A 53 -2.028 -14.499 10.042 1.00 25.00 N ATOM 890 CA ILE A 53 -0.850 -14.501 10.888 1.00 25.00 C ATOM 891 C ILE A 53 0.194 -15.489 10.379 1.00 25.00 C ATOM 892 O ILE A 53 1.386 -15.252 10.509 1.00 25.00 O ATOM 893 CB ILE A 53 -1.255 -14.777 12.364 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.100 -14.446 13.322 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.729 -16.233 12.574 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.317 -12.987 13.344 1.00 25.00 C ATOM 0 H ILE A 53 -2.885 -14.787 10.515 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.386 -13.515 10.850 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.096 -14.122 12.590 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.389 -14.741 14.331 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.764 -15.051 13.048 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.001 -16.380 13.619 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.596 -16.428 11.942 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.925 -16.919 12.309 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.137 -12.854 14.049 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.642 -12.686 12.348 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.529 -12.371 13.651 1.00 25.00 H new ATOM 908 N LYS A 54 -0.243 -16.552 9.715 1.00 25.00 N ATOM 909 CA LYS A 54 0.693 -17.519 9.135 1.00 25.00 C ATOM 910 C LYS A 54 1.592 -16.849 8.098 1.00 25.00 C ATOM 911 O LYS A 54 2.770 -17.163 8.002 1.00 25.00 O ATOM 912 CB LYS A 54 -0.079 -18.670 8.486 1.00 25.00 C ATOM 913 CG LYS A 54 -0.853 -19.525 9.487 1.00 25.00 C ATOM 914 CD LYS A 54 -1.793 -20.488 8.772 1.00 25.00 C ATOM 915 CE LYS A 54 -2.694 -21.207 9.771 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.687 -22.102 9.079 1.00 25.00 N ATOM 0 H LYS A 54 -1.228 -16.769 9.563 1.00 25.00 H new ATOM 0 HA LYS A 54 1.321 -17.911 9.935 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.776 -18.262 7.753 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.620 -19.305 7.942 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.155 -20.087 10.107 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.425 -18.881 10.154 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.403 -19.941 8.053 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.213 -21.218 8.208 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.083 -21.799 10.452 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -3.226 -20.473 10.376 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.282 -22.574 9.789 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.286 -21.533 8.448 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.179 -22.818 8.521 1.00 25.00 H new ATOM 930 N ARG A 55 1.030 -15.934 7.317 1.00 25.00 N ATOM 931 CA ARG A 55 1.805 -15.216 6.300 1.00 25.00 C ATOM 932 C ARG A 55 2.498 -14.000 6.906 1.00 25.00 C ATOM 933 O ARG A 55 3.620 -13.692 6.563 1.00 25.00 O ATOM 934 CB ARG A 55 0.901 -14.814 5.132 1.00 25.00 C ATOM 935 CG ARG A 55 0.276 -16.028 4.424 1.00 25.00 C ATOM 936 CD ARG A 55 -0.704 -15.593 3.362 1.00 25.00 C ATOM 937 NE ARG A 55 -1.561 -16.700 2.890 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.468 -17.313 1.713 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.546 -17.042 0.832 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.349 -18.226 1.409 1.00 25.00 N ATOM 0 H ARG A 55 0.046 -15.669 7.364 1.00 25.00 H new ATOM 0 HA ARG A 55 2.580 -15.881 5.918 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.107 -14.163 5.499 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.480 -14.236 4.412 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.062 -16.633 3.972 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.231 -16.658 5.155 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.333 -14.796 3.758 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.156 -15.177 2.516 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.291 -17.024 3.525 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.154 -16.327 1.030 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.524 -17.545 -0.055 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.091 -18.458 2.069 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.295 -18.708 0.512 1.00 25.00 H new ATOM 954 N TRP A 56 1.839 -13.344 7.849 1.00 25.00 N ATOM 955 CA TRP A 56 2.403 -12.167 8.516 1.00 25.00 C ATOM 956 C TRP A 56 3.677 -12.493 9.296 1.00 25.00 C ATOM 957 O TRP A 56 4.572 -11.662 9.411 1.00 25.00 O ATOM 958 CB TRP A 56 1.365 -11.564 9.463 1.00 25.00 C ATOM 959 CG TRP A 56 1.782 -10.237 10.013 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.127 -9.947 11.292 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.921 -8.999 9.290 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.466 -8.632 11.437 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.363 -8.015 10.224 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.728 -8.620 7.947 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.624 -6.684 9.850 1.00 25.00 C ATOM 966 CZ3 TRP A 56 1.980 -7.282 7.568 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.434 -6.326 8.528 1.00 25.00 C ATOM 0 H TRP A 56 0.908 -13.604 8.175 1.00 25.00 H new ATOM 0 HA TRP A 56 2.669 -11.450 7.739 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.419 -11.451 8.933 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.188 -12.254 10.288 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.133 -10.667 12.097 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.750 -8.185 12.309 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.392 -9.342 7.217 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.964 -5.961 10.577 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.828 -6.979 6.543 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.631 -5.311 8.217 1.00 25.00 H new ATOM 978 N ARG A 57 3.782 -13.714 9.800 1.00 25.00 N ATOM 979 CA ARG A 57 4.994 -14.144 10.506 1.00 25.00 C ATOM 980 C ARG A 57 6.206 -14.093 9.583 1.00 25.00 C ATOM 981 O ARG A 57 7.244 -13.576 9.964 1.00 25.00 O ATOM 982 CB ARG A 57 4.796 -15.535 11.100 1.00 25.00 C ATOM 983 CG ARG A 57 3.994 -15.478 12.399 1.00 25.00 C ATOM 984 CD ARG A 57 3.283 -16.784 12.687 1.00 25.00 C ATOM 985 NE ARG A 57 2.473 -16.684 13.918 1.00 25.00 N ATOM 986 CZ ARG A 57 1.699 -17.643 14.416 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.637 -18.837 13.880 1.00 25.00 N ATOM 988 NH2 ARG A 57 0.963 -17.393 15.464 1.00 25.00 N ATOM 0 H ARG A 57 3.052 -14.424 9.737 1.00 25.00 H new ATOM 0 HA ARG A 57 5.184 -13.454 11.328 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.280 -16.170 10.380 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.767 -15.993 11.290 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.662 -15.239 13.227 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.262 -14.673 12.338 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.642 -17.047 11.846 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.015 -17.585 12.793 1.00 25.00 H new ATOM 0 HE ARG A 57 2.511 -15.803 14.430 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.194 -19.055 13.054 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.032 -19.549 14.289 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.985 -16.468 15.894 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.366 -18.122 15.854 1.00 25.00 H new ATOM 1002 N ARG A 58 6.016 -14.511 8.338 1.00 25.00 N ATOM 1003 CA ARG A 58 7.077 -14.444 7.315 1.00 25.00 C ATOM 1004 C ARG A 58 7.608 -13.035 7.101 1.00 25.00 C ATOM 1005 O ARG A 58 8.756 -12.856 6.752 1.00 25.00 O ATOM 1006 CB ARG A 58 6.566 -14.925 5.957 1.00 25.00 C ATOM 1007 CG ARG A 58 5.991 -16.322 5.924 1.00 25.00 C ATOM 1008 CD ARG A 58 5.303 -16.515 4.587 1.00 25.00 C ATOM 1009 NE ARG A 58 4.750 -17.865 4.420 1.00 25.00 N ATOM 1010 CZ ARG A 58 3.963 -18.243 3.419 1.00 25.00 C ATOM 1011 NH1 ARG A 58 3.566 -17.410 2.487 1.00 25.00 N ATOM 1012 NH2 ARG A 58 3.566 -19.484 3.358 1.00 25.00 N ATOM 0 H ARG A 58 5.137 -14.903 8.002 1.00 25.00 H new ATOM 0 HA ARG A 58 7.873 -15.084 7.695 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.801 -14.230 5.612 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.388 -14.875 5.243 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.780 -17.062 6.057 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.283 -16.462 6.741 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.501 -15.784 4.488 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.015 -16.317 3.786 1.00 25.00 H new ATOM 0 HE ARG A 58 4.988 -18.564 5.124 1.00 25.00 H new ATOM 0 HH11 ARG A 58 3.862 -16.434 2.515 1.00 25.00 H new ATOM 0 HH12 ARG A 58 2.961 -17.738 1.734 1.00 25.00 H new ATOM 0 HH21 ARG A 58 3.860 -20.149 4.073 1.00 25.00 H new ATOM 0 HH22 ARG A 58 2.961 -19.789 2.595 1.00 25.00 H new ATOM 1026 N VAL A 59 6.761 -12.034 7.279 1.00 25.00 N ATOM 1027 CA VAL A 59 7.170 -10.643 7.073 1.00 25.00 C ATOM 1028 C VAL A 59 8.182 -10.260 8.142 1.00 25.00 C ATOM 1029 O VAL A 59 9.171 -9.585 7.875 1.00 25.00 O ATOM 1030 CB VAL A 59 5.951 -9.687 7.152 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.363 -8.251 6.897 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.893 -10.110 6.144 1.00 25.00 C ATOM 0 H VAL A 59 5.789 -12.152 7.564 1.00 25.00 H new ATOM 0 HA VAL A 59 7.613 -10.552 6.081 1.00 25.00 H new ATOM 0 HB VAL A 59 5.537 -9.748 8.159 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.487 -7.605 6.959 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.094 -7.944 7.645 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.804 -8.170 5.904 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.040 -9.434 6.206 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.313 -10.073 5.139 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.567 -11.126 6.364 1.00 25.00 H new ATOM 1042 N GLY A 60 7.948 -10.737 9.353 1.00 25.00 N ATOM 1043 CA GLY A 60 8.859 -10.466 10.445 1.00 25.00 C ATOM 1044 C GLY A 60 10.161 -11.206 10.246 1.00 25.00 C ATOM 1045 O GLY A 60 11.232 -10.680 10.536 1.00 25.00 O ATOM 0 H GLY A 60 7.141 -11.309 9.601 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.049 -9.395 10.510 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.404 -10.767 11.389 1.00 25.00 H new ATOM 1049 N ASP A 61 10.069 -12.411 9.703 1.00 25.00 N ATOM 1050 CA ASP A 61 11.254 -13.214 9.404 1.00 25.00 C ATOM 1051 C ASP A 61 12.075 -12.498 8.322 1.00 25.00 C ATOM 1052 O ASP A 61 13.295 -12.438 8.387 1.00 25.00 O ATOM 1053 CB ASP A 61 10.850 -14.616 8.917 1.00 25.00 C ATOM 1054 CG ASP A 61 10.004 -15.381 9.938 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.260 -15.265 11.156 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.056 -16.088 9.512 1.00 25.00 O ATOM 0 H ASP A 61 9.186 -12.858 9.459 1.00 25.00 H new ATOM 0 HA ASP A 61 11.850 -13.329 10.309 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.291 -14.524 7.986 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.749 -15.191 8.694 1.00 25.00 H new ATOM 1061 N CYS A 62 11.383 -11.899 7.360 1.00 25.00 N ATOM 1062 CA CYS A 62 12.030 -11.133 6.294 1.00 25.00 C ATOM 1063 C CYS A 62 12.744 -9.905 6.856 1.00 25.00 C ATOM 1064 O CYS A 62 13.876 -9.611 6.475 1.00 25.00 O ATOM 1065 CB CYS A 62 10.988 -10.678 5.267 1.00 25.00 C ATOM 1066 SG CYS A 62 11.481 -10.974 3.552 1.00 25.00 S ATOM 0 H CYS A 62 10.366 -11.928 7.294 1.00 25.00 H new ATOM 0 HA CYS A 62 12.765 -11.781 5.816 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.049 -11.197 5.461 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.798 -9.613 5.403 1.00 25.00 H new ATOM 0 HG CYS A 62 11.256 -9.906 2.845 1.00 25.00 H new ATOM 1072 N PHE A 63 12.104 -9.202 7.784 1.00 25.00 N ATOM 1073 CA PHE A 63 12.738 -8.041 8.406 1.00 25.00 C ATOM 1074 C PHE A 63 13.981 -8.492 9.153 1.00 25.00 C ATOM 1075 O PHE A 63 14.975 -7.787 9.170 1.00 25.00 O ATOM 1076 CB PHE A 63 11.826 -7.342 9.425 1.00 25.00 C ATOM 1077 CG PHE A 63 10.596 -6.687 8.835 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.621 -6.060 7.571 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.402 -6.657 9.582 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.463 -5.415 7.060 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.246 -6.010 9.081 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.281 -5.388 7.821 1.00 25.00 C ATOM 0 H PHE A 63 11.163 -9.409 8.119 1.00 25.00 H new ATOM 0 HA PHE A 63 12.968 -7.341 7.603 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.509 -8.073 10.169 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.407 -6.584 9.951 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.529 -6.071 6.987 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.368 -7.134 10.550 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.491 -4.946 6.088 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.339 -5.995 9.666 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.402 -4.891 7.438 1.00 25.00 H new ATOM 1092 N GLN A 64 13.920 -9.659 9.781 1.00 25.00 N ATOM 1093 CA GLN A 64 15.051 -10.166 10.549 1.00 25.00 C ATOM 1094 C GLN A 64 16.218 -10.518 9.639 1.00 25.00 C ATOM 1095 O GLN A 64 17.366 -10.261 9.982 1.00 25.00 O ATOM 1096 CB GLN A 64 14.644 -11.402 11.356 1.00 25.00 C ATOM 1097 CG GLN A 64 15.764 -11.951 12.241 1.00 25.00 C ATOM 1098 CD GLN A 64 16.239 -10.942 13.267 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.493 -10.526 14.139 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.478 -10.539 13.159 1.00 25.00 N ATOM 0 H GLN A 64 13.104 -10.270 9.774 1.00 25.00 H new ATOM 0 HA GLN A 64 15.364 -9.377 11.232 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.788 -11.151 11.982 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.319 -12.183 10.669 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.412 -12.847 12.753 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.604 -12.251 11.615 1.00 25.00 H new ATOM 0 HE21 GLN A 64 18.072 -10.909 12.417 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.851 -9.854 13.817 1.00 25.00 H new ATOM 1109 N ASP A 65 15.938 -11.102 8.487 1.00 25.00 N ATOM 1110 CA ASP A 65 16.999 -11.485 7.560 1.00 25.00 C ATOM 1111 C ASP A 65 17.685 -10.221 7.030 1.00 25.00 C ATOM 1112 O ASP A 65 18.910 -10.097 7.027 1.00 25.00 O ATOM 1113 CB ASP A 65 16.413 -12.308 6.406 1.00 25.00 C ATOM 1114 CG ASP A 65 17.343 -13.424 5.950 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.522 -13.441 6.366 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.876 -14.312 5.205 1.00 25.00 O ATOM 0 H ASP A 65 14.994 -11.322 8.169 1.00 25.00 H new ATOM 0 HA ASP A 65 17.737 -12.099 8.077 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.461 -12.738 6.718 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.203 -11.648 5.564 1.00 25.00 H new ATOM 1121 N TYR A 66 16.874 -9.241 6.666 1.00 25.00 N ATOM 1122 CA TYR A 66 17.381 -7.960 6.178 1.00 25.00 C ATOM 1123 C TYR A 66 18.187 -7.250 7.284 1.00 25.00 C ATOM 1124 O TYR A 66 19.241 -6.658 7.034 1.00 25.00 O ATOM 1125 CB TYR A 66 16.192 -7.105 5.726 1.00 25.00 C ATOM 1126 CG TYR A 66 16.515 -6.061 4.674 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.278 -4.917 4.985 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.039 -6.207 3.353 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.544 -3.929 3.998 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.309 -5.223 2.366 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.055 -4.094 2.700 1.00 25.00 C ATOM 1132 OH TYR A 66 17.305 -3.138 1.749 1.00 25.00 O ATOM 0 H TYR A 66 15.856 -9.305 6.698 1.00 25.00 H new ATOM 0 HA TYR A 66 18.051 -8.119 5.333 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.417 -7.765 5.335 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.773 -6.603 6.598 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.665 -4.790 5.985 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.461 -7.080 3.089 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.123 -3.053 4.251 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.938 -5.349 1.360 1.00 25.00 H new ATOM 0 HH TYR A 66 16.896 -3.406 0.900 1.00 25.00 H new ATOM 1142 N PHE A 67 17.701 -7.346 8.515 1.00 25.00 N ATOM 1143 CA PHE A 67 18.370 -6.751 9.674 1.00 25.00 C ATOM 1144 C PHE A 67 19.686 -7.434 10.021 1.00 25.00 C ATOM 1145 O PHE A 67 20.643 -6.761 10.340 1.00 25.00 O ATOM 1146 CB PHE A 67 17.439 -6.832 10.892 1.00 25.00 C ATOM 1147 CG PHE A 67 18.022 -6.261 12.164 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.832 -7.054 13.003 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.738 -4.939 12.551 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.362 -6.531 14.208 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.252 -4.408 13.759 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.070 -5.203 14.584 1.00 25.00 C ATOM 0 H PHE A 67 16.836 -7.836 8.742 1.00 25.00 H new ATOM 0 HA PHE A 67 18.597 -5.717 9.412 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.514 -6.304 10.662 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.176 -7.876 11.064 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.051 -8.074 12.723 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.119 -4.320 11.918 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.988 -7.147 14.837 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.017 -3.394 14.047 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.472 -4.798 15.501 1.00 25.00 H new ATOM 1162 N ASN A 68 19.741 -8.760 10.019 1.00 25.00 N ATOM 1163 CA ASN A 68 20.932 -9.460 10.527 1.00 25.00 C ATOM 1164 C ASN A 68 22.190 -9.107 9.744 1.00 25.00 C ATOM 1165 O ASN A 68 23.279 -9.043 10.300 1.00 25.00 O ATOM 1166 CB ASN A 68 20.707 -10.984 10.567 1.00 25.00 C ATOM 1167 CG ASN A 68 21.345 -11.718 9.402 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.522 -12.026 9.424 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.560 -12.048 8.424 1.00 25.00 N ATOM 0 H ASN A 68 18.996 -9.369 9.681 1.00 25.00 H new ATOM 0 HA ASN A 68 21.091 -9.115 11.549 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.109 -11.379 11.500 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.636 -11.186 10.571 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.924 -12.585 7.637 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.579 -11.771 8.442 1.00 25.00 H new ATOM 1176 N THR A 69 22.007 -8.811 8.470 1.00 25.00 N ATOM 1177 CA THR A 69 23.108 -8.427 7.592 1.00 25.00 C ATOM 1178 C THR A 69 23.827 -7.139 8.039 1.00 25.00 C ATOM 1179 O THR A 69 25.048 -7.041 7.934 1.00 25.00 O ATOM 1180 CB THR A 69 22.573 -8.225 6.148 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.802 -9.369 5.762 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.706 -8.079 5.142 1.00 25.00 C ATOM 0 H THR A 69 21.096 -8.829 8.012 1.00 25.00 H new ATOM 0 HA THR A 69 23.837 -9.237 7.636 1.00 25.00 H new ATOM 0 HB THR A 69 21.972 -7.316 6.149 1.00 25.00 H new ATOM 0 HG1 THR A 69 21.462 -9.242 4.852 1.00 25.00 H new ATOM 0 HG21 THR A 69 23.291 -7.940 4.144 1.00 25.00 H new ATOM 0 HG22 THR A 69 24.317 -7.215 5.405 1.00 25.00 H new ATOM 0 HG23 THR A 69 24.323 -8.977 5.156 1.00 25.00 H new ATOM 1190 N PHE A 70 23.075 -6.137 8.488 1.00 25.00 N ATOM 1191 CA PHE A 70 23.659 -4.824 8.817 1.00 25.00 C ATOM 1192 C PHE A 70 23.351 -4.259 10.208 1.00 25.00 C ATOM 1193 O PHE A 70 23.788 -3.158 10.549 1.00 25.00 O ATOM 1194 CB PHE A 70 23.197 -3.819 7.773 1.00 25.00 C ATOM 1195 CG PHE A 70 24.230 -3.516 6.734 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.208 -2.531 6.968 1.00 25.00 C ATOM 1197 CD2 PHE A 70 24.230 -4.204 5.507 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.182 -2.231 5.984 1.00 25.00 C ATOM 1199 CE2 PHE A 70 25.197 -3.914 4.515 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.175 -2.925 4.754 1.00 25.00 C ATOM 0 H PHE A 70 22.067 -6.200 8.634 1.00 25.00 H new ATOM 0 HA PHE A 70 24.736 -4.990 8.819 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.302 -4.203 7.283 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.914 -2.893 8.273 1.00 25.00 H new ATOM 0 HD1 PHE A 70 25.216 -1.998 7.908 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.484 -4.962 5.320 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.928 -1.474 6.174 1.00 25.00 H new ATOM 0 HE2 PHE A 70 25.186 -4.449 3.577 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.915 -2.700 4.000 1.00 25.00 H new ATOM 1210 N GLY A 71 22.561 -4.965 10.991 1.00 25.00 N ATOM 1211 CA GLY A 71 22.137 -4.442 12.276 1.00 25.00 C ATOM 1212 C GLY A 71 21.076 -3.367 12.091 1.00 25.00 C ATOM 1213 O GLY A 71 20.360 -3.361 11.075 1.00 25.00 O ATOM 0 H GLY A 71 22.202 -5.893 10.765 1.00 25.00 H new ATOM 0 HA2 GLY A 71 21.741 -5.250 12.891 1.00 25.00 H new ATOM 0 HA3 GLY A 71 22.994 -4.028 12.807 1.00 25.00 H new ATOM 1217 N PRO A 72 20.956 -2.414 13.034 1.00 25.00 N ATOM 1218 CA PRO A 72 19.917 -1.383 12.908 1.00 25.00 C ATOM 1219 C PRO A 72 20.170 -0.369 11.797 1.00 25.00 C ATOM 1220 O PRO A 72 19.318 0.465 11.506 1.00 25.00 O ATOM 1221 CB PRO A 72 19.944 -0.709 14.281 1.00 25.00 C ATOM 1222 CG PRO A 72 21.352 -0.836 14.711 1.00 25.00 C ATOM 1223 CD PRO A 72 21.744 -2.225 14.268 1.00 25.00 C ATOM 0 HA PRO A 72 18.956 -1.818 12.633 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.638 0.335 14.220 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.267 -1.199 14.980 1.00 25.00 H new ATOM 0 HG2 PRO A 72 21.981 -0.076 14.247 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.452 -0.718 15.790 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.815 -2.301 14.079 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.499 -2.973 15.022 1.00 25.00 H new ATOM 1231 N GLU A 73 21.332 -0.462 11.162 1.00 25.00 N ATOM 1232 CA GLU A 73 21.710 0.453 10.092 1.00 25.00 C ATOM 1233 C GLU A 73 20.864 0.269 8.836 1.00 25.00 C ATOM 1234 O GLU A 73 20.850 1.140 7.966 1.00 25.00 O ATOM 1235 CB GLU A 73 23.183 0.234 9.728 1.00 25.00 C ATOM 1236 CG GLU A 73 24.136 0.429 10.900 1.00 25.00 C ATOM 1237 CD GLU A 73 23.979 1.799 11.538 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.088 2.810 10.811 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.702 1.861 12.756 1.00 25.00 O ATOM 0 H GLU A 73 22.036 -1.170 11.373 1.00 25.00 H new ATOM 0 HA GLU A 73 21.543 1.464 10.463 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.305 -0.775 9.335 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.457 0.923 8.929 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.954 -0.343 11.648 1.00 25.00 H new ATOM 0 HG3 GLU A 73 25.163 0.304 10.557 1.00 25.00 H new ATOM 1246 N LYS A 74 20.187 -0.870 8.717 1.00 25.00 N ATOM 1247 CA LYS A 74 19.353 -1.145 7.533 1.00 25.00 C ATOM 1248 C LYS A 74 17.876 -1.272 7.856 1.00 25.00 C ATOM 1249 O LYS A 74 17.049 -0.757 7.115 1.00 25.00 O ATOM 1250 CB LYS A 74 19.841 -2.402 6.809 1.00 25.00 C ATOM 1251 CG LYS A 74 20.545 -2.118 5.460 1.00 25.00 C ATOM 1252 CD LYS A 74 21.829 -1.286 5.613 1.00 25.00 C ATOM 1253 CE LYS A 74 21.682 0.115 5.027 1.00 25.00 C ATOM 1254 NZ LYS A 74 22.625 1.071 5.705 1.00 25.00 N ATOM 0 H LYS A 74 20.194 -1.615 9.414 1.00 25.00 H new ATOM 0 HA LYS A 74 19.460 -0.280 6.879 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.530 -2.940 7.460 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.990 -3.060 6.632 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.788 -3.065 4.977 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.855 -1.592 4.800 1.00 25.00 H new ATOM 0 HD2 LYS A 74 22.087 -1.211 6.669 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.654 -1.800 5.119 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.886 0.091 3.957 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.655 0.460 5.148 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 22.715 1.935 5.133 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 22.254 1.316 6.645 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 23.559 0.624 5.806 1.00 25.00 H new ATOM 1268 N VAL A 75 17.537 -1.906 8.968 1.00 25.00 N ATOM 1269 CA VAL A 75 16.138 -1.970 9.396 1.00 25.00 C ATOM 1270 C VAL A 75 16.090 -1.386 10.798 1.00 25.00 C ATOM 1271 O VAL A 75 16.855 -1.800 11.667 1.00 25.00 O ATOM 1272 CB VAL A 75 15.623 -3.447 9.423 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.168 -3.530 9.901 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.736 -4.073 8.047 1.00 25.00 C ATOM 0 H VAL A 75 18.196 -2.379 9.586 1.00 25.00 H new ATOM 0 HA VAL A 75 15.502 -1.418 8.704 1.00 25.00 H new ATOM 0 HB VAL A 75 16.249 -3.995 10.127 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.846 -4.571 9.906 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.092 -3.121 10.909 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.531 -2.956 9.228 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.374 -5.100 8.084 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.137 -3.502 7.337 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.779 -4.067 7.729 1.00 25.00 H new ATOM 1284 N PRO A 76 15.162 -0.450 11.063 1.00 25.00 N ATOM 1285 CA PRO A 76 15.156 0.030 12.445 1.00 25.00 C ATOM 1286 C PRO A 76 14.538 -0.995 13.378 1.00 25.00 C ATOM 1287 O PRO A 76 13.638 -1.733 12.992 1.00 25.00 O ATOM 1288 CB PRO A 76 14.295 1.288 12.364 1.00 25.00 C ATOM 1289 CG PRO A 76 13.347 1.019 11.253 1.00 25.00 C ATOM 1290 CD PRO A 76 14.142 0.230 10.239 1.00 25.00 C ATOM 0 HA PRO A 76 16.155 0.215 12.840 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.768 1.469 13.301 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.901 2.172 12.163 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.482 0.455 11.601 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.970 1.947 10.823 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.516 -0.484 9.704 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.597 0.879 9.491 1.00 25.00 H new ATOM 1298 N VAL A 77 14.953 -1.001 14.633 1.00 25.00 N ATOM 1299 CA VAL A 77 14.371 -1.928 15.602 1.00 25.00 C ATOM 1300 C VAL A 77 12.888 -1.613 15.840 1.00 25.00 C ATOM 1301 O VAL A 77 12.115 -2.477 16.246 1.00 25.00 O ATOM 1302 CB VAL A 77 15.156 -1.924 16.942 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.584 -2.447 16.716 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.210 -0.513 17.551 1.00 25.00 C ATOM 0 H VAL A 77 15.678 -0.388 15.006 1.00 25.00 H new ATOM 0 HA VAL A 77 14.446 -2.930 15.179 1.00 25.00 H new ATOM 0 HB VAL A 77 14.634 -2.578 17.641 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.128 -2.441 17.661 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.542 -3.465 16.328 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.097 -1.807 15.998 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.766 -0.542 18.488 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.706 0.165 16.856 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.197 -0.160 17.741 1.00 25.00 H new ATOM 1314 N THR A 78 12.466 -0.396 15.512 1.00 25.00 N ATOM 1315 CA THR A 78 11.056 -0.038 15.645 1.00 25.00 C ATOM 1316 C THR A 78 10.213 -0.713 14.573 1.00 25.00 C ATOM 1317 O THR A 78 9.026 -0.896 14.767 1.00 25.00 O ATOM 1318 CB THR A 78 10.816 1.498 15.612 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.560 1.794 16.222 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.799 2.061 14.209 1.00 25.00 C ATOM 0 H THR A 78 13.067 0.348 15.158 1.00 25.00 H new ATOM 0 HA THR A 78 10.747 -0.397 16.627 1.00 25.00 H new ATOM 0 HB THR A 78 11.645 1.957 16.151 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.881 1.922 15.527 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.628 3.137 14.251 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.756 1.865 13.726 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.001 1.588 13.637 1.00 25.00 H new ATOM 1328 N ALA A 79 10.812 -1.139 13.466 1.00 25.00 N ATOM 1329 CA ALA A 79 10.035 -1.819 12.433 1.00 25.00 C ATOM 1330 C ALA A 79 9.464 -3.115 13.003 1.00 25.00 C ATOM 1331 O ALA A 79 8.333 -3.473 12.718 1.00 25.00 O ATOM 1332 CB ALA A 79 10.895 -2.102 11.213 1.00 25.00 C ATOM 0 H ALA A 79 11.806 -1.031 13.262 1.00 25.00 H new ATOM 0 HA ALA A 79 9.215 -1.174 12.119 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.297 -2.609 10.456 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.273 -1.163 10.808 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.733 -2.737 11.498 1.00 25.00 H new ATOM 1338 N PHE A 80 10.228 -3.780 13.856 1.00 25.00 N ATOM 1339 CA PHE A 80 9.764 -5.008 14.500 1.00 25.00 C ATOM 1340 C PHE A 80 8.694 -4.702 15.540 1.00 25.00 C ATOM 1341 O PHE A 80 7.810 -5.506 15.791 1.00 25.00 O ATOM 1342 CB PHE A 80 10.928 -5.720 15.185 1.00 25.00 C ATOM 1343 CG PHE A 80 12.027 -6.111 14.245 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.090 -5.227 13.985 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.015 -7.372 13.621 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.129 -5.585 13.105 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.054 -7.749 12.744 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.110 -6.854 12.480 1.00 25.00 C ATOM 0 H PHE A 80 11.171 -3.494 14.121 1.00 25.00 H new ATOM 0 HA PHE A 80 9.342 -5.650 13.727 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.337 -5.070 15.958 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.553 -6.613 15.685 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.109 -4.261 14.467 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.203 -8.057 13.815 1.00 25.00 H new ATOM 0 HE1 PHE A 80 14.936 -4.895 12.908 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.040 -8.722 12.276 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.902 -7.136 11.803 1.00 25.00 H new ATOM 1358 N SER A 81 8.772 -3.529 16.145 1.00 25.00 N ATOM 1359 CA SER A 81 7.800 -3.126 17.166 1.00 25.00 C ATOM 1360 C SER A 81 6.476 -2.823 16.481 1.00 25.00 C ATOM 1361 O SER A 81 5.422 -3.310 16.889 1.00 25.00 O ATOM 1362 CB SER A 81 8.296 -1.892 17.926 1.00 25.00 C ATOM 1363 OG SER A 81 7.386 -1.528 18.950 1.00 25.00 O ATOM 0 H SER A 81 9.494 -2.835 15.952 1.00 25.00 H new ATOM 0 HA SER A 81 7.671 -3.934 17.886 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.275 -2.096 18.360 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.422 -1.060 17.233 1.00 25.00 H new ATOM 0 HG SER A 81 7.724 -0.739 19.423 1.00 25.00 H new ATOM 1369 N TYR A 82 6.556 -2.085 15.383 1.00 25.00 N ATOM 1370 CA TYR A 82 5.396 -1.792 14.556 1.00 25.00 C ATOM 1371 C TYR A 82 4.806 -3.093 14.046 1.00 25.00 C ATOM 1372 O TYR A 82 3.609 -3.300 14.095 1.00 25.00 O ATOM 1373 CB TYR A 82 5.814 -0.929 13.365 1.00 25.00 C ATOM 1374 CG TYR A 82 5.628 0.552 13.591 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.646 1.349 14.169 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.425 1.173 13.216 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.457 2.745 14.351 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.237 2.568 13.397 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.258 3.340 13.957 1.00 25.00 C ATOM 1380 OH TYR A 82 5.081 4.690 14.110 1.00 25.00 O ATOM 0 H TYR A 82 7.425 -1.674 15.042 1.00 25.00 H new ATOM 0 HA TYR A 82 4.656 -1.255 15.149 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.862 -1.124 13.137 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.237 -1.229 12.490 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.575 0.891 14.474 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.632 0.581 12.784 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.239 3.344 14.793 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.307 3.032 13.103 1.00 25.00 H new ATOM 0 HH TYR A 82 4.192 4.942 13.785 1.00 25.00 H new ATOM 1390 N TRP A 83 5.662 -3.987 13.585 1.00 25.00 N ATOM 1391 CA TRP A 83 5.228 -5.276 13.065 1.00 25.00 C ATOM 1392 C TRP A 83 4.488 -6.109 14.117 1.00 25.00 C ATOM 1393 O TRP A 83 3.463 -6.739 13.823 1.00 25.00 O ATOM 1394 CB TRP A 83 6.460 -6.041 12.589 1.00 25.00 C ATOM 1395 CG TRP A 83 6.171 -7.437 12.183 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.688 -7.875 10.994 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.348 -8.619 12.983 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.534 -9.229 10.985 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.931 -9.726 12.194 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.825 -8.856 14.289 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.978 -11.045 12.668 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.882 -10.187 14.769 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.456 -11.270 13.946 1.00 25.00 C ATOM 0 H TRP A 83 6.672 -3.844 13.559 1.00 25.00 H new ATOM 0 HA TRP A 83 4.531 -5.097 12.246 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.904 -5.511 11.746 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.203 -6.050 13.387 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.455 -7.231 10.159 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.180 -9.781 10.204 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.142 -8.034 14.914 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.648 -11.866 12.049 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.251 -10.383 15.765 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.507 -12.280 14.326 1.00 25.00 H new ATOM 1414 N ASN A 84 4.993 -6.093 15.345 1.00 25.00 N ATOM 1415 CA ASN A 84 4.394 -6.853 16.444 1.00 25.00 C ATOM 1416 C ASN A 84 2.990 -6.346 16.762 1.00 25.00 C ATOM 1417 O ASN A 84 2.126 -7.120 17.174 1.00 25.00 O ATOM 1418 CB ASN A 84 5.257 -6.747 17.710 1.00 25.00 C ATOM 1419 CG ASN A 84 6.219 -7.906 17.863 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.831 -9.004 18.237 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.467 -7.671 17.590 1.00 25.00 N ATOM 0 H ASN A 84 5.821 -5.559 15.609 1.00 25.00 H new ATOM 0 HA ASN A 84 4.336 -7.894 16.125 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.820 -5.814 17.683 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.608 -6.702 18.584 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.159 -8.415 17.685 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.755 -6.743 17.280 1.00 25.00 H new ATOM 1428 N LEU A 85 2.769 -5.054 16.546 1.00 25.00 N ATOM 1429 CA LEU A 85 1.486 -4.417 16.841 1.00 25.00 C ATOM 1430 C LEU A 85 0.391 -5.028 15.974 1.00 25.00 C ATOM 1431 O LEU A 85 -0.693 -5.350 16.453 1.00 25.00 O ATOM 1432 CB LEU A 85 1.624 -2.904 16.587 1.00 25.00 C ATOM 1433 CG LEU A 85 0.497 -1.931 16.964 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.088 -0.519 17.060 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.639 -1.924 15.932 1.00 25.00 C ATOM 0 H LEU A 85 3.469 -4.419 16.163 1.00 25.00 H new ATOM 0 HA LEU A 85 1.209 -4.579 17.883 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.520 -2.573 17.112 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.813 -2.775 15.521 1.00 25.00 H new ATOM 0 HG LEU A 85 0.075 -2.255 17.915 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.302 0.187 17.327 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.866 -0.501 17.823 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.517 -0.238 16.098 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.410 -1.220 16.245 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.246 -1.624 14.961 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.068 -2.923 15.857 1.00 25.00 H new ATOM 1447 N ILE A 86 0.678 -5.216 14.695 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.310 -5.793 13.790 1.00 25.00 C ATOM 1449 C ILE A 86 -0.372 -7.305 14.001 1.00 25.00 C ATOM 1450 O ILE A 86 -1.419 -7.925 13.843 1.00 25.00 O ATOM 1451 CB ILE A 86 0.006 -5.486 12.306 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.147 -3.972 12.095 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -1.111 -6.005 11.396 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.539 -3.573 11.704 1.00 25.00 C ATOM 0 H ILE A 86 1.572 -4.982 14.263 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.274 -5.339 14.020 1.00 25.00 H new ATOM 0 HB ILE A 86 0.942 -5.985 12.054 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.550 -3.650 11.322 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.132 -3.453 13.012 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.869 -5.779 10.358 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -1.209 -7.084 11.519 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -2.051 -5.522 11.663 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.583 -2.492 11.567 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.236 -3.868 12.488 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.811 -4.068 10.772 1.00 25.00 H new ATOM 1466 N LYS A 87 0.747 -7.903 14.389 1.00 25.00 N ATOM 1467 CA LYS A 87 0.797 -9.351 14.592 1.00 25.00 C ATOM 1468 C LYS A 87 -0.230 -9.805 15.626 1.00 25.00 C ATOM 1469 O LYS A 87 -0.945 -10.767 15.379 1.00 25.00 O ATOM 1470 CB LYS A 87 2.229 -9.790 14.957 1.00 25.00 C ATOM 1471 CG LYS A 87 2.368 -10.724 16.163 1.00 25.00 C ATOM 1472 CD LYS A 87 3.823 -11.018 16.434 1.00 25.00 C ATOM 1473 CE LYS A 87 3.995 -11.774 17.744 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.445 -11.841 18.131 1.00 25.00 N ATOM 0 H LYS A 87 1.625 -7.417 14.569 1.00 25.00 H new ATOM 0 HA LYS A 87 0.529 -9.843 13.657 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.666 -10.284 14.090 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.823 -8.896 15.147 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.913 -10.265 17.041 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.831 -11.654 15.975 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.237 -11.605 15.615 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.385 -10.085 16.473 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.425 -11.281 18.532 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.593 -12.782 17.643 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.540 -12.346 19.035 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.978 -12.347 17.395 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.822 -10.877 18.231 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.349 -9.118 16.752 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.322 -9.547 17.758 1.00 25.00 C ATOM 1490 C GLU A 88 -2.748 -9.246 17.293 1.00 25.00 C ATOM 1491 O GLU A 88 -3.682 -9.964 17.634 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.042 -8.906 19.126 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.115 -7.389 19.158 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.022 -6.841 20.572 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.899 -7.186 21.401 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.145 -5.994 20.833 1.00 25.00 O ATOM 0 H GLU A 88 0.193 -8.288 16.992 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.221 -10.626 17.878 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.755 -9.303 19.848 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.050 -9.213 19.457 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.306 -6.975 18.556 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.050 -7.062 18.704 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.907 -8.218 16.470 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.223 -7.852 15.957 1.00 25.00 C ATOM 1505 C LEU A 89 -4.748 -8.894 14.970 1.00 25.00 C ATOM 1506 O LEU A 89 -5.922 -9.236 15.004 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.176 -6.465 15.308 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.138 -5.276 16.289 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.886 -3.980 15.524 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.449 -5.144 17.084 1.00 25.00 C ATOM 0 H LEU A 89 -2.145 -7.624 16.144 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.914 -7.820 16.799 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.297 -6.413 14.666 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.048 -6.354 14.663 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.329 -5.463 16.995 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.860 -3.144 16.223 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.932 -4.046 15.002 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.686 -3.823 14.800 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.379 -4.294 17.763 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.279 -4.990 16.394 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.619 -6.054 17.659 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.882 -9.430 14.121 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.299 -10.480 13.184 1.00 25.00 C ATOM 1524 C ILE A 90 -4.502 -11.793 13.950 1.00 25.00 C ATOM 1525 O ILE A 90 -5.449 -12.544 13.682 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.244 -10.726 12.054 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.019 -9.456 11.212 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.728 -11.840 11.101 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.805 -9.558 10.251 1.00 25.00 C ATOM 0 H ILE A 90 -2.899 -9.165 14.056 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.226 -10.146 12.717 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.313 -11.014 12.543 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.917 -9.252 10.629 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.873 -8.608 11.880 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.984 -12.000 10.321 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.869 -12.763 11.663 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.673 -11.544 10.646 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.706 -8.629 9.690 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.897 -9.731 10.829 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.958 -10.386 9.558 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.614 -12.075 14.895 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.669 -13.327 15.662 1.00 25.00 C ATOM 1543 C ASP A 91 -4.966 -13.413 16.467 1.00 25.00 C ATOM 1544 O ASP A 91 -5.525 -14.489 16.643 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.454 -13.421 16.595 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.240 -14.823 17.145 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.480 -15.602 16.516 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.757 -15.126 18.242 1.00 25.00 O ATOM 0 H ASP A 91 -2.844 -11.458 15.154 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.647 -14.164 14.964 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.561 -13.108 16.054 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.584 -12.726 17.425 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.468 -12.264 16.905 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.723 -12.189 17.664 1.00 25.00 C ATOM 1555 C LYS A 92 -7.795 -11.422 16.907 1.00 25.00 C ATOM 1556 O LYS A 92 -8.619 -10.733 17.509 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.457 -11.552 19.037 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.469 -12.351 19.897 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.053 -13.711 20.304 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.007 -14.607 20.924 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.811 -15.801 20.037 1.00 25.00 N ATOM 0 H LYS A 92 -5.024 -11.359 16.748 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.099 -13.202 17.806 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.069 -10.544 18.893 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.401 -11.457 19.574 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.542 -12.502 19.343 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.217 -11.779 20.790 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.868 -13.560 21.012 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.478 -14.201 19.428 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.068 -14.066 21.043 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.321 -14.923 21.919 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.404 -16.582 20.591 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -5.728 -16.096 19.644 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.165 -15.554 19.260 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.821 -11.578 15.587 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.839 -10.914 14.753 1.00 25.00 C ATOM 1577 C LYS A 93 -10.249 -11.378 15.139 1.00 25.00 C ATOM 1578 O LYS A 93 -11.224 -10.686 14.912 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.581 -11.167 13.254 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.876 -12.603 12.776 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.666 -12.769 11.259 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.199 -12.965 10.869 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.622 -14.246 11.424 1.00 25.00 N ATOM 0 H LYS A 93 -7.158 -12.152 15.067 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.767 -9.842 14.934 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.191 -10.474 12.674 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.539 -10.934 13.036 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.230 -13.301 13.308 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.904 -12.864 13.029 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.245 -13.624 10.911 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -9.057 -11.890 10.747 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.112 -12.971 9.782 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.614 -12.119 11.230 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -5.969 -14.662 10.730 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -6.107 -14.042 12.305 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.392 -14.917 11.620 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.319 -12.550 15.754 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.576 -13.165 16.187 1.00 25.00 C ATOM 1599 C GLU A 94 -12.341 -12.346 17.240 1.00 25.00 C ATOM 1600 O GLU A 94 -13.561 -12.405 17.299 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.264 -14.570 16.731 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.288 -14.578 17.924 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.754 -15.963 18.251 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -10.524 -16.941 18.207 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.542 -16.063 18.565 1.00 25.00 O ATOM 0 H GLU A 94 -9.496 -13.112 15.971 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.234 -13.211 15.319 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.196 -15.046 17.034 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.844 -15.175 15.927 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.451 -13.915 17.705 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.793 -14.174 18.801 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.627 -11.562 18.040 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.252 -10.726 19.077 1.00 25.00 C ATOM 1614 C VAL A 95 -11.988 -9.253 18.790 1.00 25.00 C ATOM 1615 O VAL A 95 -12.293 -8.377 19.594 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.730 -11.095 20.501 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.281 -12.461 20.933 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.185 -11.114 20.541 1.00 25.00 C ATOM 0 H VAL A 95 -10.611 -11.483 17.996 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.326 -10.913 19.055 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.081 -10.331 21.195 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.909 -12.705 21.928 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.370 -12.424 20.952 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.956 -13.225 20.226 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.850 -11.374 21.545 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.812 -11.852 19.831 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.802 -10.129 20.275 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.437 -8.984 17.617 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.140 -7.620 17.186 1.00 25.00 C ATOM 1630 C ASN A 96 -11.803 -7.380 15.824 1.00 25.00 C ATOM 1631 O ASN A 96 -11.150 -7.437 14.782 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.623 -7.415 17.101 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.997 -7.187 18.448 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.099 -6.111 19.012 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.334 -8.183 18.962 1.00 25.00 N ATOM 0 H ASN A 96 -11.182 -9.700 16.936 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.534 -6.904 17.908 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.167 -8.289 16.635 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.410 -6.562 16.456 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.877 -8.078 19.868 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.272 -9.068 18.459 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.127 -7.135 15.809 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.781 -7.039 14.497 1.00 25.00 C ATOM 1644 C PRO A 97 -13.432 -5.791 13.686 1.00 25.00 C ATOM 1645 O PRO A 97 -13.538 -5.801 12.462 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.269 -7.060 14.860 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.322 -6.448 16.212 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.103 -6.999 16.908 1.00 25.00 C ATOM 0 HA PRO A 97 -13.455 -7.846 13.841 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.862 -6.493 14.143 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.663 -8.076 14.867 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.294 -5.360 16.159 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.238 -6.718 16.737 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.744 -6.326 17.686 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.309 -7.957 17.386 1.00 25.00 H new ATOM 1656 N GLN A 98 -12.994 -4.727 14.348 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.632 -3.500 13.638 1.00 25.00 C ATOM 1658 C GLN A 98 -11.385 -3.752 12.793 1.00 25.00 C ATOM 1659 O GLN A 98 -11.301 -3.317 11.648 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.458 -2.293 14.595 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.228 -2.284 15.508 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.220 -3.409 16.516 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -10.794 -4.503 16.216 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -11.716 -3.156 17.695 1.00 25.00 N ATOM 0 H GLN A 98 -12.881 -4.685 15.361 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.454 -3.229 12.975 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.435 -1.386 13.991 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.345 -2.234 15.226 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -10.329 -2.349 14.895 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.184 -1.332 16.037 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -12.065 -2.223 17.912 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -11.755 -3.892 18.401 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.436 -4.513 13.322 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.246 -4.813 12.551 1.00 25.00 C ATOM 1675 C VAL A 99 -9.536 -5.964 11.600 1.00 25.00 C ATOM 1676 O VAL A 99 -9.013 -5.983 10.518 1.00 25.00 O ATOM 1677 CB VAL A 99 -7.989 -5.081 13.439 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.942 -6.521 13.954 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.717 -4.765 12.645 1.00 25.00 C ATOM 0 H VAL A 99 -10.467 -4.922 14.256 1.00 25.00 H new ATOM 0 HA VAL A 99 -8.992 -3.928 11.968 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.054 -4.428 14.309 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.051 -6.660 14.566 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.829 -6.722 14.554 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.912 -7.209 13.109 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.843 -4.953 13.268 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.674 -5.399 11.759 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.728 -3.718 12.342 1.00 25.00 H new ATOM 1689 N MET A 100 -10.416 -6.889 11.963 1.00 25.00 N ATOM 1690 CA MET A 100 -10.749 -8.013 11.081 1.00 25.00 C ATOM 1691 C MET A 100 -11.350 -7.519 9.766 1.00 25.00 C ATOM 1692 O MET A 100 -10.990 -7.995 8.691 1.00 25.00 O ATOM 1693 CB MET A 100 -11.714 -8.965 11.792 1.00 25.00 C ATOM 1694 CG MET A 100 -12.005 -10.252 11.036 1.00 25.00 C ATOM 1695 SD MET A 100 -13.429 -10.083 9.938 1.00 25.00 S ATOM 1696 CE MET A 100 -12.833 -10.897 8.446 1.00 25.00 C ATOM 0 H MET A 100 -10.912 -6.888 12.854 1.00 25.00 H new ATOM 0 HA MET A 100 -9.831 -8.552 10.845 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.301 -9.218 12.768 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.654 -8.443 11.969 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.129 -10.536 10.453 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.189 -11.057 11.748 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.609 -10.868 7.681 1.00 25.00 H new ATOM 0 HE2 MET A 100 -11.944 -10.382 8.081 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.584 -11.934 8.672 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.208 -6.513 9.840 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.777 -5.923 8.635 1.00 25.00 C ATOM 1708 C ALA A 101 -11.685 -5.214 7.819 1.00 25.00 C ATOM 1709 O ALA A 101 -11.753 -5.151 6.596 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.872 -4.949 9.018 1.00 25.00 C ATOM 0 H ALA A 101 -12.524 -6.090 10.713 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.204 -6.712 8.016 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.298 -4.508 8.117 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.652 -5.476 9.567 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.455 -4.161 9.646 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.673 -4.700 8.502 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.560 -4.035 7.840 1.00 25.00 C ATOM 1718 C ALA A 102 -8.656 -5.083 7.171 1.00 25.00 C ATOM 1719 O ALA A 102 -8.113 -4.838 6.108 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.768 -3.187 8.860 1.00 25.00 C ATOM 0 H ALA A 102 -10.600 -4.731 9.519 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.941 -3.366 7.069 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.937 -2.693 8.356 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.426 -2.435 9.297 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.381 -3.833 9.648 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.533 -6.260 7.772 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.748 -7.355 7.185 1.00 25.00 C ATOM 1728 C VAL A 103 -8.379 -7.723 5.850 1.00 25.00 C ATOM 1729 O VAL A 103 -7.691 -7.823 4.833 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.733 -8.618 8.121 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.074 -9.817 7.446 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -6.998 -8.305 9.431 1.00 25.00 C ATOM 0 H VAL A 103 -8.965 -6.487 8.667 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.717 -7.026 7.056 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.771 -8.873 8.333 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.084 -10.669 8.126 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.622 -10.071 6.539 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.044 -9.570 7.190 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -6.997 -9.190 10.068 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -5.971 -8.014 9.211 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.504 -7.488 9.946 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.696 -7.873 5.854 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.427 -8.216 4.643 1.00 25.00 C ATOM 1744 C ALA A 104 -10.290 -7.107 3.597 1.00 25.00 C ATOM 1745 O ALA A 104 -9.970 -7.372 2.448 1.00 25.00 O ATOM 1746 CB ALA A 104 -11.898 -8.466 4.982 1.00 25.00 C ATOM 0 H ALA A 104 -10.280 -7.762 6.683 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.004 -9.127 4.220 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.442 -8.723 4.073 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -11.973 -9.288 5.694 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.328 -7.566 5.421 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.480 -5.861 4.011 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.354 -4.735 3.089 1.00 25.00 C ATOM 1754 C GLN A 105 -8.948 -4.618 2.513 1.00 25.00 C ATOM 1755 O GLN A 105 -8.789 -4.259 1.358 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.717 -3.419 3.778 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.200 -3.086 3.714 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.475 -1.631 4.043 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.279 -0.742 3.217 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.919 -1.376 5.246 1.00 25.00 N ATOM 0 H GLN A 105 -10.720 -5.604 4.969 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.049 -4.928 2.272 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.409 -3.469 4.822 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.151 -2.609 3.317 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.578 -3.309 2.716 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.744 -3.723 4.411 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.070 -2.139 5.906 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.114 -0.414 5.524 1.00 25.00 H new ATOM 1769 N THR A 106 -7.922 -4.924 3.290 1.00 25.00 N ATOM 1770 CA THR A 106 -6.566 -4.823 2.770 1.00 25.00 C ATOM 1771 C THR A 106 -6.376 -5.885 1.684 1.00 25.00 C ATOM 1772 O THR A 106 -5.816 -5.589 0.640 1.00 25.00 O ATOM 1773 CB THR A 106 -5.499 -4.967 3.873 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.797 -4.080 4.949 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.117 -4.587 3.356 1.00 25.00 C ATOM 0 H THR A 106 -7.996 -5.237 4.258 1.00 25.00 H new ATOM 0 HA THR A 106 -6.432 -3.827 2.348 1.00 25.00 H new ATOM 0 HB THR A 106 -5.505 -6.008 4.197 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.545 -4.438 5.471 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.386 -4.699 4.157 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.848 -5.239 2.525 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.128 -3.551 3.016 1.00 25.00 H new ATOM 1783 N GLU A 107 -6.903 -7.089 1.877 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.832 -8.106 0.817 1.00 25.00 C ATOM 1785 C GLU A 107 -7.575 -7.648 -0.440 1.00 25.00 C ATOM 1786 O GLU A 107 -7.105 -7.866 -1.552 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.439 -9.441 1.254 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.615 -10.219 2.264 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.066 -11.677 2.391 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -7.806 -12.174 1.511 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.597 -12.357 3.331 1.00 25.00 O ATOM 0 H GLU A 107 -7.374 -7.387 2.732 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.771 -8.241 0.606 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.425 -9.253 1.679 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.586 -10.063 0.371 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.566 -10.191 1.971 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.687 -9.734 3.237 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.726 -7.011 -0.265 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.520 -6.523 -1.400 1.00 25.00 C ATOM 1800 C GLU A 108 -8.729 -5.492 -2.201 1.00 25.00 C ATOM 1801 O GLU A 108 -8.690 -5.540 -3.427 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.815 -5.863 -0.905 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.835 -6.823 -0.298 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.937 -6.091 0.474 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.987 -4.837 0.431 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.743 -6.771 1.146 1.00 25.00 O ATOM 0 H GLU A 108 -9.135 -6.817 0.649 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.759 -7.379 -2.032 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.560 -5.109 -0.160 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.282 -5.341 -1.740 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.286 -7.420 -1.091 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.325 -7.516 0.371 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.091 -4.566 -1.501 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.318 -3.503 -2.147 1.00 25.00 C ATOM 1815 C ILE A 109 -6.094 -4.094 -2.840 1.00 25.00 C ATOM 1816 O ILE A 109 -5.783 -3.734 -3.966 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.887 -2.420 -1.106 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.142 -1.715 -0.548 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.938 -1.365 -1.750 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.937 -1.030 0.804 1.00 25.00 C ATOM 0 H ILE A 109 -8.090 -4.525 -0.482 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.948 -3.022 -2.895 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.348 -2.915 -0.299 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.477 -0.971 -1.271 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.943 -2.448 -0.452 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.655 -0.625 -1.001 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.043 -1.862 -2.125 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.451 -0.870 -2.574 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.869 -0.561 1.119 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.634 -1.770 1.545 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.161 -0.270 0.713 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.427 -5.039 -2.197 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.234 -5.664 -2.777 1.00 25.00 C ATOM 1834 C LEU A 110 -4.577 -6.393 -4.071 1.00 25.00 C ATOM 1835 O LEU A 110 -3.807 -6.365 -5.023 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.619 -6.650 -1.779 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.466 -6.131 -0.900 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.710 -4.731 -0.314 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.231 -7.132 0.232 1.00 25.00 C ATOM 0 H LEU A 110 -5.685 -5.394 -1.276 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.514 -4.877 -3.001 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.413 -7.005 -1.121 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.257 -7.514 -2.336 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.589 -6.037 -1.541 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.854 -4.436 0.293 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.844 -4.015 -1.125 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.606 -4.747 0.307 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.417 -6.780 0.865 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.139 -7.227 0.828 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.970 -8.103 -0.189 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.743 -7.024 -4.107 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.197 -7.748 -5.299 1.00 25.00 C ATOM 1853 C LYS A 111 -6.743 -6.819 -6.380 1.00 25.00 C ATOM 1854 O LYS A 111 -6.804 -7.193 -7.545 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.255 -8.757 -4.898 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.655 -9.917 -4.133 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.722 -10.698 -3.448 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.109 -11.832 -2.645 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.831 -12.067 -1.350 1.00 25.00 N ATOM 0 H LYS A 111 -6.397 -7.052 -3.325 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.332 -8.254 -5.727 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.012 -8.268 -4.284 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.760 -9.130 -5.789 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.104 -10.564 -4.815 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -5.940 -9.545 -3.399 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.295 -10.045 -2.790 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.419 -11.099 -4.184 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.126 -12.746 -3.239 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.063 -11.605 -2.439 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.165 -11.966 -0.558 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.598 -11.371 -1.249 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.232 -13.027 -1.345 1.00 25.00 H new ATOM 1873 N SER A 112 -7.149 -5.621 -5.990 1.00 25.00 N ATOM 1874 CA SER A 112 -7.667 -4.634 -6.938 1.00 25.00 C ATOM 1875 C SER A 112 -6.517 -3.875 -7.591 1.00 25.00 C ATOM 1876 O SER A 112 -6.604 -3.463 -8.751 1.00 25.00 O ATOM 1877 CB SER A 112 -8.574 -3.635 -6.217 1.00 25.00 C ATOM 1878 OG SER A 112 -9.152 -2.722 -7.137 1.00 25.00 O ATOM 0 H SER A 112 -7.132 -5.303 -5.021 1.00 25.00 H new ATOM 0 HA SER A 112 -8.237 -5.161 -7.703 1.00 25.00 H new ATOM 0 HB2 SER A 112 -9.361 -4.170 -5.686 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.999 -3.089 -5.469 1.00 25.00 H new ATOM 0 HG SER A 112 -9.729 -2.093 -6.655 1.00 25.00 H new ATOM 1884 N ASN A 113 -5.455 -3.663 -6.833 1.00 25.00 N ATOM 1885 CA ASN A 113 -4.288 -2.944 -7.326 1.00 25.00 C ATOM 1886 C ASN A 113 -3.589 -3.763 -8.405 1.00 25.00 C ATOM 1887 O ASN A 113 -3.571 -4.987 -8.365 1.00 25.00 O ATOM 1888 CB ASN A 113 -3.318 -2.657 -6.176 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.653 -1.381 -5.442 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -4.808 -1.052 -5.222 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -2.642 -0.637 -5.103 1.00 25.00 N ATOM 0 H ASN A 113 -5.375 -3.980 -5.867 1.00 25.00 H new ATOM 0 HA ASN A 113 -4.615 -1.996 -7.754 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.334 -3.491 -5.474 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -2.303 -2.591 -6.569 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -2.800 0.256 -4.636 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -1.691 -0.946 -5.304 1.00 25.00 H new ATOM 1898 N SER A 114 -2.999 -3.072 -9.367 1.00 25.00 N ATOM 1899 CA SER A 114 -2.289 -3.717 -10.465 1.00 25.00 C ATOM 1900 C SER A 114 -0.989 -2.972 -10.689 1.00 25.00 C ATOM 1901 O SER A 114 -0.879 -1.811 -10.314 1.00 25.00 O ATOM 1902 CB SER A 114 -3.141 -3.683 -11.732 1.00 25.00 C ATOM 1903 OG SER A 114 -4.323 -4.444 -11.562 1.00 25.00 O ATOM 0 H SER A 114 -2.997 -2.053 -9.411 1.00 25.00 H new ATOM 0 HA SER A 114 -2.085 -4.760 -10.220 1.00 25.00 H new ATOM 0 HB2 SER A 114 -3.398 -2.652 -11.975 1.00 25.00 H new ATOM 0 HB3 SER A 114 -2.568 -4.075 -12.572 1.00 25.00 H new ATOM 0 HG SER A 114 -4.856 -4.408 -12.384 1.00 25.00 H new ATOM 1909 N GLN A 115 -0.012 -3.660 -11.277 1.00 25.00 N ATOM 1910 CA GLN A 115 1.338 -3.116 -11.498 1.00 25.00 C ATOM 1911 C GLN A 115 1.918 -2.611 -10.165 1.00 25.00 C ATOM 1912 O GLN A 115 2.544 -1.558 -10.080 1.00 25.00 O ATOM 1913 CB GLN A 115 1.318 -2.019 -12.578 1.00 25.00 C ATOM 1914 CG GLN A 115 2.680 -1.752 -13.221 1.00 25.00 C ATOM 1915 CD GLN A 115 2.619 -0.643 -14.244 1.00 25.00 C ATOM 1916 OE1 GLN A 115 2.114 -0.823 -15.341 1.00 25.00 O ATOM 1917 NE2 GLN A 115 3.143 0.502 -13.897 1.00 25.00 N ATOM 0 H GLN A 115 -0.129 -4.615 -11.617 1.00 25.00 H new ATOM 0 HA GLN A 115 1.990 -3.907 -11.869 1.00 25.00 H new ATOM 0 HB2 GLN A 115 0.610 -2.303 -13.356 1.00 25.00 H new ATOM 0 HB3 GLN A 115 0.950 -1.094 -12.134 1.00 25.00 H new ATOM 0 HG2 GLN A 115 3.401 -1.490 -12.446 1.00 25.00 H new ATOM 0 HG3 GLN A 115 3.040 -2.664 -13.697 1.00 25.00 H new ATOM 0 HE21 GLN A 115 3.556 0.614 -12.971 1.00 25.00 H new ATOM 0 HE22 GLN A 115 3.139 1.284 -14.552 1.00 25.00 H new ATOM 1926 N THR A 116 1.652 -3.375 -9.116 1.00 25.00 N ATOM 1927 CA THR A 116 2.094 -3.033 -7.775 1.00 25.00 C ATOM 1928 C THR A 116 3.603 -3.226 -7.647 1.00 25.00 C ATOM 1929 O THR A 116 4.121 -4.304 -7.949 1.00 25.00 O ATOM 1930 CB THR A 116 1.377 -3.927 -6.736 1.00 25.00 C ATOM 1931 OG1 THR A 116 -0.027 -3.920 -7.010 1.00 25.00 O ATOM 1932 CG2 THR A 116 1.589 -3.421 -5.312 1.00 25.00 C ATOM 0 H THR A 116 1.125 -4.247 -9.171 1.00 25.00 H new ATOM 0 HA THR A 116 1.848 -1.987 -7.589 1.00 25.00 H new ATOM 0 HB THR A 116 1.793 -4.931 -6.813 1.00 25.00 H new ATOM 0 HG1 THR A 116 -0.490 -4.486 -6.357 1.00 25.00 H new ATOM 0 HG21 THR A 116 1.070 -4.076 -4.612 1.00 25.00 H new ATOM 0 HG22 THR A 116 2.655 -3.416 -5.082 1.00 25.00 H new ATOM 0 HG23 THR A 116 1.194 -2.409 -5.223 1.00 25.00 H new ATOM 1940 N ASP A 117 4.267 -2.180 -7.162 1.00 25.00 N ATOM 1941 CA ASP A 117 5.718 -2.152 -6.909 1.00 25.00 C ATOM 1942 C ASP A 117 6.583 -2.258 -8.176 1.00 25.00 C ATOM 1943 O ASP A 117 6.073 -2.404 -9.289 1.00 25.00 O ATOM 1944 CB ASP A 117 6.112 -3.229 -5.887 1.00 25.00 C ATOM 1945 CG ASP A 117 7.113 -2.725 -4.865 1.00 25.00 C ATOM 1946 OD1 ASP A 117 7.670 -1.619 -5.050 1.00 25.00 O ATOM 1947 OD2 ASP A 117 7.282 -3.399 -3.837 1.00 25.00 O ATOM 0 H ASP A 117 3.805 -1.302 -6.926 1.00 25.00 H new ATOM 0 HA ASP A 117 5.926 -1.165 -6.496 1.00 25.00 H new ATOM 0 HB2 ASP A 117 5.218 -3.580 -5.372 1.00 25.00 H new ATOM 0 HB3 ASP A 117 6.534 -4.086 -6.412 1.00 25.00 H new ATOM 1952 N LEU A 118 7.891 -2.098 -8.014 1.00 25.00 N ATOM 1953 CA LEU A 118 8.806 -2.033 -9.156 1.00 25.00 C ATOM 1954 C LEU A 118 9.814 -3.173 -9.199 1.00 25.00 C ATOM 1955 O LEU A 118 10.224 -3.705 -8.179 1.00 25.00 O ATOM 1956 CB LEU A 118 9.572 -0.704 -9.135 1.00 25.00 C ATOM 1957 CG LEU A 118 8.730 0.580 -9.240 1.00 25.00 C ATOM 1958 CD1 LEU A 118 9.644 1.797 -9.090 1.00 25.00 C ATOM 1959 CD2 LEU A 118 7.981 0.662 -10.579 1.00 25.00 C ATOM 0 H LEU A 118 8.345 -2.011 -7.105 1.00 25.00 H new ATOM 0 HA LEU A 118 8.182 -2.118 -10.046 1.00 25.00 H new ATOM 0 HB2 LEU A 118 10.149 -0.658 -8.211 1.00 25.00 H new ATOM 0 HB3 LEU A 118 10.287 -0.710 -9.958 1.00 25.00 H new ATOM 0 HG LEU A 118 7.987 0.563 -8.443 1.00 25.00 H new ATOM 0 HD11 LEU A 118 9.051 2.709 -9.164 1.00 25.00 H new ATOM 0 HD12 LEU A 118 10.138 1.763 -8.119 1.00 25.00 H new ATOM 0 HD13 LEU A 118 10.395 1.788 -9.880 1.00 25.00 H new ATOM 0 HD21 LEU A 118 7.398 1.582 -10.614 1.00 25.00 H new ATOM 0 HD22 LEU A 118 8.699 0.656 -11.399 1.00 25.00 H new ATOM 0 HD23 LEU A 118 7.313 -0.194 -10.675 1.00 25.00 H new ATOM 1971 N GLU A 119 10.224 -3.497 -10.421 1.00 25.00 N ATOM 1972 CA GLU A 119 11.276 -4.482 -10.705 1.00 25.00 C ATOM 1973 C GLU A 119 11.123 -5.840 -9.993 1.00 25.00 C ATOM 1974 O GLU A 119 12.104 -6.531 -9.706 1.00 25.00 O ATOM 1975 CB GLU A 119 12.657 -3.850 -10.444 1.00 25.00 C ATOM 1976 CG GLU A 119 13.797 -4.426 -11.305 1.00 25.00 C ATOM 1977 CD GLU A 119 13.446 -4.460 -12.786 1.00 25.00 C ATOM 1978 OE1 GLU A 119 13.184 -3.403 -13.384 1.00 25.00 O ATOM 1979 OE2 GLU A 119 13.376 -5.580 -13.344 1.00 25.00 O ATOM 0 H GLU A 119 9.830 -3.077 -11.263 1.00 25.00 H new ATOM 0 HA GLU A 119 11.173 -4.737 -11.760 1.00 25.00 H new ATOM 0 HB2 GLU A 119 12.591 -2.777 -10.623 1.00 25.00 H new ATOM 0 HB3 GLU A 119 12.910 -3.983 -9.392 1.00 25.00 H new ATOM 0 HG2 GLU A 119 14.696 -3.826 -11.161 1.00 25.00 H new ATOM 0 HG3 GLU A 119 14.030 -5.436 -10.966 1.00 25.00 H new ATOM 1986 N HIS A 120 9.882 -6.280 -9.811 1.00 25.00 N ATOM 1987 CA HIS A 120 9.603 -7.631 -9.310 1.00 25.00 C ATOM 1988 C HIS A 120 9.802 -8.623 -10.479 1.00 25.00 C ATOM 1989 O HIS A 120 8.857 -9.240 -10.985 1.00 25.00 O ATOM 1990 CB HIS A 120 8.181 -7.712 -8.726 1.00 25.00 C ATOM 1991 CG HIS A 120 7.920 -8.957 -7.927 1.00 25.00 C ATOM 1992 ND1 HIS A 120 7.113 -9.011 -6.817 1.00 25.00 N ATOM 1993 CD2 HIS A 120 8.374 -10.232 -8.091 1.00 25.00 C ATOM 1994 CE1 HIS A 120 7.106 -10.263 -6.367 1.00 25.00 C ATOM 1995 NE2 HIS A 120 7.854 -11.054 -7.111 1.00 25.00 N ATOM 0 H HIS A 120 9.049 -5.723 -10.002 1.00 25.00 H new ATOM 0 HA HIS A 120 10.286 -7.886 -8.500 1.00 25.00 H new ATOM 0 HB2 HIS A 120 8.010 -6.842 -8.091 1.00 25.00 H new ATOM 0 HB3 HIS A 120 7.460 -7.658 -9.542 1.00 25.00 H new ATOM 0 HD1 HIS A 120 6.606 -8.226 -6.408 1.00 25.00 H new ATOM 0 HD2 HIS A 120 9.044 -10.553 -8.875 1.00 25.00 H new ATOM 0 HE1 HIS A 120 6.555 -10.591 -5.498 1.00 25.00 H new ATOM 2003 N HIS A 121 11.039 -8.719 -10.949 1.00 25.00 N ATOM 2004 CA HIS A 121 11.391 -9.533 -12.114 1.00 25.00 C ATOM 2005 C HIS A 121 11.396 -11.023 -11.758 1.00 25.00 C ATOM 2006 O HIS A 121 12.438 -11.626 -11.515 1.00 25.00 O ATOM 2007 CB HIS A 121 12.751 -9.072 -12.672 1.00 25.00 C ATOM 2008 CG HIS A 121 12.784 -8.975 -14.167 1.00 25.00 C ATOM 2009 ND1 HIS A 121 12.960 -7.770 -14.846 1.00 25.00 N ATOM 2010 CD2 HIS A 121 12.660 -9.908 -15.149 1.00 25.00 C ATOM 2011 CE1 HIS A 121 12.936 -8.000 -16.149 1.00 25.00 C ATOM 2012 NE2 HIS A 121 12.756 -9.277 -16.355 1.00 25.00 N ATOM 0 H HIS A 121 11.834 -8.233 -10.533 1.00 25.00 H new ATOM 0 HA HIS A 121 10.638 -9.396 -12.890 1.00 25.00 H new ATOM 0 HB2 HIS A 121 12.997 -8.099 -12.248 1.00 25.00 H new ATOM 0 HB3 HIS A 121 13.524 -9.768 -12.344 1.00 25.00 H new ATOM 0 HD1 HIS A 121 13.087 -6.857 -14.408 1.00 25.00 H new ATOM 0 HD2 HIS A 121 12.511 -10.967 -15.000 1.00 25.00 H new ATOM 0 HE1 HIS A 121 13.047 -7.251 -16.919 1.00 25.00 H new ATOM 2020 N HIS A 122 10.205 -11.606 -11.720 1.00 25.00 N ATOM 2021 CA HIS A 122 9.973 -13.008 -11.327 1.00 25.00 C ATOM 2022 C HIS A 122 10.489 -14.059 -12.348 1.00 25.00 C ATOM 2023 O HIS A 122 9.748 -14.937 -12.789 1.00 25.00 O ATOM 2024 CB HIS A 122 8.459 -13.169 -11.097 1.00 25.00 C ATOM 2025 CG HIS A 122 8.098 -14.247 -10.120 1.00 25.00 C ATOM 2026 ND1 HIS A 122 8.074 -15.607 -10.441 1.00 25.00 N ATOM 2027 CD2 HIS A 122 7.713 -14.193 -8.816 1.00 25.00 C ATOM 2028 CE1 HIS A 122 7.692 -16.292 -9.368 1.00 25.00 C ATOM 2029 NE2 HIS A 122 7.472 -15.459 -8.383 1.00 25.00 N ATOM 0 H HIS A 122 9.346 -11.113 -11.966 1.00 25.00 H new ATOM 0 HA HIS A 122 10.549 -13.206 -10.423 1.00 25.00 H new ATOM 0 HB2 HIS A 122 8.054 -12.221 -10.742 1.00 25.00 H new ATOM 0 HB3 HIS A 122 7.978 -13.383 -12.052 1.00 25.00 H new ATOM 0 HD1 HIS A 122 8.311 -16.008 -11.349 1.00 25.00 H new ATOM 0 HD2 HIS A 122 7.615 -13.295 -8.224 1.00 25.00 H new ATOM 0 HE1 HIS A 122 7.581 -17.365 -9.317 1.00 25.00 H new ATOM 2037 N HIS A 123 11.756 -13.955 -12.726 1.00 25.00 N ATOM 2038 CA HIS A 123 12.376 -14.840 -13.720 1.00 25.00 C ATOM 2039 C HIS A 123 13.287 -15.863 -13.045 1.00 25.00 C ATOM 2040 O HIS A 123 14.294 -15.509 -12.440 1.00 25.00 O ATOM 2041 CB HIS A 123 13.189 -13.995 -14.709 1.00 25.00 C ATOM 2042 CG HIS A 123 13.955 -14.805 -15.711 1.00 25.00 C ATOM 2043 ND1 HIS A 123 15.274 -15.230 -15.512 1.00 25.00 N ATOM 2044 CD2 HIS A 123 13.624 -15.275 -16.945 1.00 25.00 C ATOM 2045 CE1 HIS A 123 15.670 -15.909 -16.583 1.00 25.00 C ATOM 2046 NE2 HIS A 123 14.694 -15.946 -17.454 1.00 25.00 N ATOM 0 H HIS A 123 12.392 -13.251 -12.352 1.00 25.00 H new ATOM 0 HA HIS A 123 11.590 -15.380 -14.249 1.00 25.00 H new ATOM 0 HB2 HIS A 123 12.514 -13.323 -15.239 1.00 25.00 H new ATOM 0 HB3 HIS A 123 13.887 -13.371 -14.151 1.00 25.00 H new ATOM 0 HD2 HIS A 123 12.673 -15.139 -17.438 1.00 25.00 H new ATOM 0 HE1 HIS A 123 16.643 -16.359 -16.714 1.00 25.00 H new ATOM 0 HE2 HIS A 123 14.729 -16.403 -18.365 1.00 25.00 H new ATOM 2054 N HIS A 124 12.944 -17.134 -13.182 1.00 25.00 N ATOM 2055 CA HIS A 124 13.723 -18.235 -12.613 1.00 25.00 C ATOM 2056 C HIS A 124 13.454 -19.411 -13.546 1.00 25.00 C ATOM 2057 O HIS A 124 12.739 -19.235 -14.531 1.00 25.00 O ATOM 2058 CB HIS A 124 13.255 -18.529 -11.176 1.00 25.00 C ATOM 2059 CG HIS A 124 14.324 -19.104 -10.294 1.00 25.00 C ATOM 2060 ND1 HIS A 124 15.367 -18.348 -9.748 1.00 25.00 N ATOM 2061 CD2 HIS A 124 14.529 -20.363 -9.821 1.00 25.00 C ATOM 2062 CE1 HIS A 124 16.131 -19.147 -9.008 1.00 25.00 C ATOM 2063 NE2 HIS A 124 15.645 -20.360 -9.044 1.00 25.00 N ATOM 0 H HIS A 124 12.115 -17.438 -13.692 1.00 25.00 H new ATOM 0 HA HIS A 124 14.788 -18.014 -12.542 1.00 25.00 H new ATOM 0 HB2 HIS A 124 12.886 -17.606 -10.729 1.00 25.00 H new ATOM 0 HB3 HIS A 124 12.416 -19.223 -11.213 1.00 25.00 H new ATOM 0 HD2 HIS A 124 13.908 -21.222 -10.028 1.00 25.00 H new ATOM 0 HE1 HIS A 124 17.013 -18.842 -8.464 1.00 25.00 H new ATOM 0 HE2 HIS A 124 16.038 -21.171 -8.567 1.00 25.00 H new ATOM 2071 N HIS A 125 13.991 -20.579 -13.239 1.00 25.00 N ATOM 2072 CA HIS A 125 13.713 -21.802 -13.987 1.00 25.00 C ATOM 2073 C HIS A 125 13.446 -22.815 -12.895 1.00 25.00 C ATOM 2074 O HIS A 125 12.896 -23.894 -13.149 1.00 25.00 O ATOM 2075 CB HIS A 125 14.917 -22.223 -14.843 1.00 25.00 C ATOM 2076 CG HIS A 125 14.719 -23.524 -15.562 1.00 25.00 C ATOM 2077 ND1 HIS A 125 14.203 -23.626 -16.857 1.00 25.00 N ATOM 2078 CD2 HIS A 125 14.950 -24.810 -15.183 1.00 25.00 C ATOM 2079 CE1 HIS A 125 14.144 -24.911 -17.194 1.00 25.00 C ATOM 2080 NE2 HIS A 125 14.589 -25.635 -16.202 1.00 25.00 N ATOM 2081 OXT HIS A 125 13.814 -22.460 -11.755 1.00 25.00 O ATOM 0 H HIS A 125 14.636 -20.711 -12.460 1.00 25.00 H new ATOM 0 HA HIS A 125 12.886 -21.692 -14.688 1.00 25.00 H new ATOM 0 HB2 HIS A 125 15.123 -21.441 -15.574 1.00 25.00 H new ATOM 0 HB3 HIS A 125 15.797 -22.301 -14.204 1.00 25.00 H new ATOM 0 HD2 HIS A 125 15.353 -25.124 -14.231 1.00 25.00 H new ATOM 0 HE1 HIS A 125 13.785 -25.295 -18.138 1.00 25.00 H new ATOM 0 HE2 HIS A 125 14.655 -26.653 -16.193 1.00 25.00 H new TER 2089 HIS A 125