USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= 0.0182 X(o=-14,f=-14) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -13.1! C(o=-14!,f=-12!) USER MOD Set 1.3: A 61 TYR OH : rot -16:sc= -0.689 USER MOD Set 2.1: A 44 ASN : amide:sc= 1.11 K(o=2.3,f=-1.4) USER MOD Set 2.2: A 47 THR OG1 : rot 94:sc= 1.22 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -112:sc= 0.999 (180deg=-0.456) USER MOD Set 3.2: A 74 THR OG1 : rot -90:sc= -6.15! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -75:sc= 0.179 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -79:sc= -0.362 USER MOD Single : A 15 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.2!) USER MOD Single : A 20 SER OG : rot -87:sc= -0.338 USER MOD Single : A 24 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.5) USER MOD Single : A 26 THR OG1 : rot -53:sc= 0.878 USER MOD Single : A 28 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.9) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0244) USER MOD Single : A 50 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.45) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.517 K(o=-0.52,f=-7.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.49) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.102 19.712 -1.322 1.00 0.00 N ATOM 2 CA ALA A 1 -10.980 19.703 -2.302 1.00 0.00 C ATOM 3 C ALA A 1 -9.696 20.169 -1.612 1.00 0.00 C ATOM 4 O ALA A 1 -8.745 19.425 -1.480 1.00 0.00 O ATOM 5 CB ALA A 1 -11.307 20.646 -3.461 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.975 19.395 -1.791 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.880 19.071 -0.534 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.236 20.676 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.841 18.692 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.486 20.639 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.221 20.314 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.447 21.657 -3.079 1.00 0.00 H new ATOM 13 N GLU A 2 -9.665 21.396 -1.168 1.00 0.00 N ATOM 14 CA GLU A 2 -8.445 21.911 -0.485 1.00 0.00 C ATOM 15 C GLU A 2 -7.930 20.858 0.497 1.00 0.00 C ATOM 16 O GLU A 2 -6.888 20.266 0.299 1.00 0.00 O ATOM 17 CB GLU A 2 -8.791 23.193 0.275 1.00 0.00 C ATOM 18 CG GLU A 2 -7.555 23.692 1.026 1.00 0.00 C ATOM 19 CD GLU A 2 -7.557 25.222 1.050 1.00 0.00 C ATOM 20 OE1 GLU A 2 -8.155 25.808 0.163 1.00 0.00 O ATOM 21 OE2 GLU A 2 -6.959 25.780 1.955 1.00 0.00 O ATOM 0 H GLU A 2 -10.432 22.064 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.674 22.125 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.140 23.957 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.604 23.004 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.552 23.302 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.650 23.326 0.542 1.00 0.00 H new ATOM 28 N VAL A 3 -8.653 20.620 1.556 1.00 0.00 N ATOM 29 CA VAL A 3 -8.207 19.605 2.551 1.00 0.00 C ATOM 30 C VAL A 3 -8.857 18.259 2.224 1.00 0.00 C ATOM 31 O VAL A 3 -9.914 17.931 2.723 1.00 0.00 O ATOM 32 CB VAL A 3 -8.626 20.048 3.952 1.00 0.00 C ATOM 33 CG1 VAL A 3 -8.079 19.064 4.987 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.068 21.444 4.233 1.00 0.00 C ATOM 0 H VAL A 3 -9.534 21.085 1.775 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.122 19.505 2.513 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.714 20.070 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.379 19.382 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.476 18.069 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.991 19.039 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.367 21.761 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.980 21.421 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.459 22.147 3.498 1.00 0.00 H new ATOM 44 N ARG A 4 -8.235 17.479 1.382 1.00 0.00 N ATOM 45 CA ARG A 4 -8.818 16.158 1.016 1.00 0.00 C ATOM 46 C ARG A 4 -8.856 15.247 2.251 1.00 0.00 C ATOM 47 O ARG A 4 -7.940 15.253 3.048 1.00 0.00 O ATOM 48 CB ARG A 4 -7.959 15.508 -0.069 1.00 0.00 C ATOM 49 CG ARG A 4 -8.834 15.159 -1.273 1.00 0.00 C ATOM 50 CD ARG A 4 -8.598 13.702 -1.670 1.00 0.00 C ATOM 51 NE ARG A 4 -8.308 13.626 -3.129 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.273 13.775 -3.994 1.00 0.00 C ATOM 53 NH1 ARG A 4 -10.421 13.184 -3.797 1.00 0.00 N ATOM 54 NH2 ARG A 4 -9.093 14.516 -5.053 1.00 0.00 N ATOM 0 H ARG A 4 -7.347 17.701 0.932 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.832 16.302 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.161 16.186 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.482 14.608 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.885 15.315 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.599 15.817 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.765 13.289 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.476 13.102 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.355 13.458 -3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.562 12.607 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.177 13.299 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.197 14.979 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.848 14.632 -5.729 1.00 0.00 H new ATOM 68 N PRO A 5 -9.918 14.488 2.368 1.00 0.00 N ATOM 69 CA PRO A 5 -10.109 13.555 3.493 1.00 0.00 C ATOM 70 C PRO A 5 -9.307 12.268 3.265 1.00 0.00 C ATOM 71 O PRO A 5 -8.825 12.026 2.176 1.00 0.00 O ATOM 72 CB PRO A 5 -11.611 13.261 3.463 1.00 0.00 C ATOM 73 CG PRO A 5 -12.085 13.562 2.022 1.00 0.00 C ATOM 74 CD PRO A 5 -11.029 14.492 1.394 1.00 0.00 C ATOM 0 HA PRO A 5 -9.773 13.963 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.809 12.222 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.143 13.881 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.182 12.642 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.065 14.038 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.706 14.127 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.423 15.497 1.243 1.00 0.00 H new ATOM 82 N PRO A 6 -9.197 11.478 4.303 1.00 0.00 N ATOM 83 CA PRO A 6 -8.468 10.199 4.255 1.00 0.00 C ATOM 84 C PRO A 6 -9.332 9.127 3.583 1.00 0.00 C ATOM 85 O PRO A 6 -10.538 9.257 3.492 1.00 0.00 O ATOM 86 CB PRO A 6 -8.231 9.866 5.731 1.00 0.00 C ATOM 87 CG PRO A 6 -9.304 10.644 6.531 1.00 0.00 C ATOM 88 CD PRO A 6 -9.788 11.789 5.621 1.00 0.00 C ATOM 0 HA PRO A 6 -7.541 10.249 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.317 8.794 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.228 10.160 6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.132 9.991 6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.887 11.036 7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.876 11.825 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.453 12.759 5.989 1.00 0.00 H new ATOM 96 N PHE A 7 -8.731 8.071 3.110 1.00 0.00 N ATOM 97 CA PHE A 7 -9.527 7.002 2.443 1.00 0.00 C ATOM 98 C PHE A 7 -8.975 5.629 2.833 1.00 0.00 C ATOM 99 O PHE A 7 -7.977 5.519 3.517 1.00 0.00 O ATOM 100 CB PHE A 7 -9.444 7.174 0.926 1.00 0.00 C ATOM 101 CG PHE A 7 -8.005 7.373 0.518 1.00 0.00 C ATOM 102 CD1 PHE A 7 -7.134 6.278 0.464 1.00 0.00 C ATOM 103 CD2 PHE A 7 -7.540 8.653 0.192 1.00 0.00 C ATOM 104 CE1 PHE A 7 -5.799 6.463 0.086 1.00 0.00 C ATOM 105 CE2 PHE A 7 -6.205 8.838 -0.186 1.00 0.00 C ATOM 106 CZ PHE A 7 -5.334 7.743 -0.240 1.00 0.00 C ATOM 0 H PHE A 7 -7.726 7.902 3.156 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.567 7.076 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.856 6.297 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.043 8.029 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.492 5.290 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.212 9.498 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.127 5.618 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.847 9.826 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.304 7.886 -0.533 1.00 0.00 H new ATOM 116 N THR A 8 -9.623 4.580 2.403 1.00 0.00 N ATOM 117 CA THR A 8 -9.145 3.212 2.746 1.00 0.00 C ATOM 118 C THR A 8 -7.725 3.011 2.213 1.00 0.00 C ATOM 119 O THR A 8 -7.505 2.934 1.020 1.00 0.00 O ATOM 120 CB THR A 8 -10.075 2.177 2.109 1.00 0.00 C ATOM 121 OG1 THR A 8 -11.109 2.847 1.400 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.687 1.297 3.200 1.00 0.00 C ATOM 0 H THR A 8 -10.465 4.613 1.828 1.00 0.00 H new ATOM 0 HA THR A 8 -9.144 3.091 3.829 1.00 0.00 H new ATOM 0 HB THR A 8 -9.507 1.552 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.759 3.211 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.349 0.561 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.892 0.785 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.256 1.918 3.892 1.00 0.00 H new ATOM 130 N TYR A 9 -6.761 2.923 3.087 1.00 0.00 N ATOM 131 CA TYR A 9 -5.356 2.724 2.630 1.00 0.00 C ATOM 132 C TYR A 9 -5.228 1.355 1.959 1.00 0.00 C ATOM 133 O TYR A 9 -4.447 1.169 1.049 1.00 0.00 O ATOM 134 CB TYR A 9 -4.416 2.785 3.838 1.00 0.00 C ATOM 135 CG TYR A 9 -4.178 4.226 4.225 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.362 5.039 3.429 1.00 0.00 C ATOM 137 CD2 TYR A 9 -4.771 4.747 5.381 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.139 6.374 3.790 1.00 0.00 C ATOM 139 CE2 TYR A 9 -4.548 6.082 5.742 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.733 6.895 4.945 1.00 0.00 C ATOM 141 OH TYR A 9 -3.514 8.210 5.302 1.00 0.00 O ATOM 0 H TYR A 9 -6.885 2.980 4.098 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.090 3.506 1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.850 2.240 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.469 2.301 3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.905 4.637 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.401 4.120 5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.509 7.001 3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.004 6.484 6.635 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.001 8.410 6.129 1.00 0.00 H new ATOM 151 N ALA A 10 -5.987 0.392 2.407 1.00 0.00 N ATOM 152 CA ALA A 10 -5.906 -0.968 1.803 1.00 0.00 C ATOM 153 C ALA A 10 -6.393 -0.927 0.352 1.00 0.00 C ATOM 154 O ALA A 10 -5.964 -1.707 -0.476 1.00 0.00 O ATOM 155 CB ALA A 10 -6.783 -1.930 2.607 1.00 0.00 C ATOM 0 H ALA A 10 -6.661 0.489 3.167 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.871 -1.308 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.727 -2.926 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.432 -1.967 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.816 -1.583 2.588 1.00 0.00 H new ATOM 161 N SER A 11 -7.287 -0.032 0.036 1.00 0.00 N ATOM 162 CA SER A 11 -7.799 0.044 -1.362 1.00 0.00 C ATOM 163 C SER A 11 -6.763 0.728 -2.257 1.00 0.00 C ATOM 164 O SER A 11 -6.386 0.214 -3.292 1.00 0.00 O ATOM 165 CB SER A 11 -9.099 0.848 -1.386 1.00 0.00 C ATOM 166 OG SER A 11 -8.798 2.221 -1.605 1.00 0.00 O ATOM 0 H SER A 11 -7.685 0.649 0.683 1.00 0.00 H new ATOM 0 HA SER A 11 -7.985 -0.965 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.755 0.477 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.633 0.727 -0.443 1.00 0.00 H new ATOM 0 HG SER A 11 -8.497 2.628 -0.766 1.00 0.00 H new ATOM 172 N LEU A 12 -6.299 1.884 -1.870 1.00 0.00 N ATOM 173 CA LEU A 12 -5.292 2.599 -2.702 1.00 0.00 C ATOM 174 C LEU A 12 -4.014 1.761 -2.802 1.00 0.00 C ATOM 175 O LEU A 12 -3.494 1.529 -3.875 1.00 0.00 O ATOM 176 CB LEU A 12 -4.967 3.949 -2.057 1.00 0.00 C ATOM 177 CG LEU A 12 -4.376 4.889 -3.108 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.356 6.035 -3.376 1.00 0.00 C ATOM 179 CD2 LEU A 12 -3.055 5.461 -2.592 1.00 0.00 C ATOM 0 H LEU A 12 -6.574 2.364 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.697 2.758 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.869 4.386 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.261 3.812 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.199 4.338 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.935 6.706 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.299 5.629 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.532 6.587 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.632 6.132 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.233 6.013 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.357 4.647 -2.398 1.00 0.00 H new ATOM 191 N ILE A 13 -3.502 1.307 -1.690 1.00 0.00 N ATOM 192 CA ILE A 13 -2.254 0.488 -1.718 1.00 0.00 C ATOM 193 C ILE A 13 -2.427 -0.687 -2.683 1.00 0.00 C ATOM 194 O ILE A 13 -1.604 -0.919 -3.546 1.00 0.00 O ATOM 195 CB ILE A 13 -1.963 -0.047 -0.314 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.763 1.130 0.647 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.695 -0.904 -0.343 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.401 1.778 0.395 1.00 0.00 C ATOM 0 H ILE A 13 -3.894 1.468 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.424 1.110 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.802 -0.656 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.557 1.864 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.826 0.784 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.490 -1.284 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.837 -1.741 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.146 -0.298 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.263 2.614 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.387 1.043 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.355 2.140 -0.632 1.00 0.00 H new ATOM 210 N ARG A 14 -3.488 -1.432 -2.544 1.00 0.00 N ATOM 211 CA ARG A 14 -3.707 -2.593 -3.453 1.00 0.00 C ATOM 212 C ARG A 14 -3.617 -2.124 -4.907 1.00 0.00 C ATOM 213 O ARG A 14 -3.148 -2.837 -5.771 1.00 0.00 O ATOM 214 CB ARG A 14 -5.092 -3.190 -3.192 1.00 0.00 C ATOM 215 CG ARG A 14 -5.340 -4.352 -4.156 1.00 0.00 C ATOM 216 CD ARG A 14 -6.846 -4.555 -4.334 1.00 0.00 C ATOM 217 NE ARG A 14 -7.288 -3.909 -5.602 1.00 0.00 N ATOM 218 CZ ARG A 14 -8.557 -3.688 -5.817 1.00 0.00 C ATOM 219 NH1 ARG A 14 -9.440 -4.592 -5.495 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.940 -2.564 -6.355 1.00 0.00 N ATOM 0 H ARG A 14 -4.213 -1.288 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.945 -3.350 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.161 -3.538 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.859 -2.426 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.874 -4.145 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.883 -5.263 -3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.080 -5.619 -4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.384 -4.127 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.598 -3.639 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.139 -5.472 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.431 -4.419 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.249 -1.858 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.931 -2.391 -6.523 1.00 0.00 H new ATOM 234 N GLN A 15 -4.064 -0.929 -5.183 1.00 0.00 N ATOM 235 CA GLN A 15 -4.007 -0.412 -6.579 1.00 0.00 C ATOM 236 C GLN A 15 -2.559 -0.421 -7.074 1.00 0.00 C ATOM 237 O GLN A 15 -2.234 -1.054 -8.059 1.00 0.00 O ATOM 238 CB GLN A 15 -4.548 1.017 -6.614 1.00 0.00 C ATOM 239 CG GLN A 15 -5.570 1.149 -7.743 1.00 0.00 C ATOM 240 CD GLN A 15 -6.978 1.205 -7.150 1.00 0.00 C ATOM 241 OE1 GLN A 15 -7.147 1.493 -5.982 1.00 0.00 O ATOM 242 NE2 GLN A 15 -8.004 0.940 -7.911 1.00 0.00 N ATOM 0 H GLN A 15 -4.467 -0.288 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.612 -1.048 -7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.011 1.265 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.731 1.723 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.372 2.050 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.485 0.304 -8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.863 0.698 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.948 0.975 -7.525 1.00 0.00 H new ATOM 251 N ALA A 16 -1.686 0.278 -6.401 1.00 0.00 N ATOM 252 CA ALA A 16 -0.261 0.309 -6.839 1.00 0.00 C ATOM 253 C ALA A 16 0.249 -1.124 -6.994 1.00 0.00 C ATOM 254 O ALA A 16 0.905 -1.462 -7.959 1.00 0.00 O ATOM 255 CB ALA A 16 0.580 1.040 -5.789 1.00 0.00 C ATOM 0 H ALA A 16 -1.897 0.828 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.182 0.831 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.622 1.063 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.213 2.060 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.505 0.518 -4.835 1.00 0.00 H new ATOM 261 N ILE A 17 -0.054 -1.968 -6.050 1.00 0.00 N ATOM 262 CA ILE A 17 0.401 -3.382 -6.131 1.00 0.00 C ATOM 263 C ILE A 17 -0.305 -4.076 -7.301 1.00 0.00 C ATOM 264 O ILE A 17 0.304 -4.793 -8.070 1.00 0.00 O ATOM 265 CB ILE A 17 0.054 -4.085 -4.813 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.116 -3.750 -3.764 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.005 -5.603 -5.015 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.603 -2.628 -2.859 1.00 0.00 C ATOM 0 H ILE A 17 -0.601 -1.738 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 17 1.478 -3.425 -6.294 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.924 -3.740 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.347 -4.634 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.041 -3.444 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.242 -6.088 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.754 -5.847 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.977 -5.956 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.359 -2.389 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.394 -1.743 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.310 -2.952 -2.360 1.00 0.00 H new ATOM 280 N LEU A 18 -1.587 -3.869 -7.440 1.00 0.00 N ATOM 281 CA LEU A 18 -2.333 -4.517 -8.556 1.00 0.00 C ATOM 282 C LEU A 18 -1.719 -4.103 -9.897 1.00 0.00 C ATOM 283 O LEU A 18 -1.887 -4.770 -10.899 1.00 0.00 O ATOM 284 CB LEU A 18 -3.799 -4.079 -8.512 1.00 0.00 C ATOM 285 CG LEU A 18 -4.684 -5.284 -8.184 1.00 0.00 C ATOM 286 CD1 LEU A 18 -6.154 -4.895 -8.343 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.356 -6.432 -9.141 1.00 0.00 C ATOM 0 H LEU A 18 -2.150 -3.278 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.271 -5.600 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.934 -3.300 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.090 -3.651 -9.471 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.500 -5.601 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.785 -5.753 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.389 -4.076 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.338 -4.578 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.986 -7.291 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.540 -6.114 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.308 -6.710 -9.030 1.00 0.00 H new ATOM 299 N GLU A 19 -1.012 -3.006 -9.926 1.00 0.00 N ATOM 300 CA GLU A 19 -0.394 -2.554 -11.206 1.00 0.00 C ATOM 301 C GLU A 19 0.719 -3.521 -11.608 1.00 0.00 C ATOM 302 O GLU A 19 1.165 -3.534 -12.738 1.00 0.00 O ATOM 303 CB GLU A 19 0.190 -1.150 -11.025 1.00 0.00 C ATOM 304 CG GLU A 19 0.703 -0.633 -12.371 1.00 0.00 C ATOM 305 CD GLU A 19 1.995 0.157 -12.157 1.00 0.00 C ATOM 306 OE1 GLU A 19 2.227 0.584 -11.038 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.730 0.324 -13.116 1.00 0.00 O ATOM 0 H GLU A 19 -0.836 -2.404 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.155 -2.533 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.571 -0.476 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.003 -1.173 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.883 -1.468 -13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.050 0.001 -12.840 1.00 0.00 H new ATOM 314 N SER A 20 1.175 -4.331 -10.693 1.00 0.00 N ATOM 315 CA SER A 20 2.262 -5.293 -11.027 1.00 0.00 C ATOM 316 C SER A 20 1.665 -6.516 -11.731 1.00 0.00 C ATOM 317 O SER A 20 0.497 -6.810 -11.574 1.00 0.00 O ATOM 318 CB SER A 20 2.961 -5.737 -9.744 1.00 0.00 C ATOM 319 OG SER A 20 2.006 -6.319 -8.865 1.00 0.00 O ATOM 0 H SER A 20 0.842 -4.368 -9.730 1.00 0.00 H new ATOM 0 HA SER A 20 2.983 -4.810 -11.686 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.746 -6.457 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.441 -4.884 -9.264 1.00 0.00 H new ATOM 0 HG SER A 20 1.588 -5.616 -8.325 1.00 0.00 H new ATOM 325 N PRO A 21 2.493 -7.194 -12.486 1.00 0.00 N ATOM 326 CA PRO A 21 2.084 -8.397 -13.230 1.00 0.00 C ATOM 327 C PRO A 21 2.014 -9.601 -12.287 1.00 0.00 C ATOM 328 O PRO A 21 1.600 -10.679 -12.667 1.00 0.00 O ATOM 329 CB PRO A 21 3.200 -8.575 -14.263 1.00 0.00 C ATOM 330 CG PRO A 21 4.437 -7.832 -13.703 1.00 0.00 C ATOM 331 CD PRO A 21 3.912 -6.823 -12.665 1.00 0.00 C ATOM 0 HA PRO A 21 1.099 -8.309 -13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.419 -9.631 -14.419 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.905 -8.164 -15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.135 -8.532 -13.244 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.976 -7.322 -14.501 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.463 -6.893 -11.727 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.014 -5.797 -13.019 1.00 0.00 H new ATOM 339 N GLU A 22 2.414 -9.422 -11.058 1.00 0.00 N ATOM 340 CA GLU A 22 2.371 -10.541 -10.085 1.00 0.00 C ATOM 341 C GLU A 22 1.780 -10.037 -8.768 1.00 0.00 C ATOM 342 O GLU A 22 1.931 -10.650 -7.733 1.00 0.00 O ATOM 343 CB GLU A 22 3.787 -11.069 -9.846 1.00 0.00 C ATOM 344 CG GLU A 22 4.203 -11.963 -11.018 1.00 0.00 C ATOM 345 CD GLU A 22 3.220 -13.128 -11.144 1.00 0.00 C ATOM 346 OE1 GLU A 22 2.763 -13.607 -10.121 1.00 0.00 O ATOM 347 OE2 GLU A 22 2.941 -13.523 -12.265 1.00 0.00 O ATOM 0 H GLU A 22 2.771 -8.541 -10.687 1.00 0.00 H new ATOM 0 HA GLU A 22 1.752 -11.347 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.484 -10.237 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.824 -11.633 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.219 -11.385 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.213 -12.341 -10.860 1.00 0.00 H new ATOM 354 N LYS A 23 1.098 -8.925 -8.811 1.00 0.00 N ATOM 355 CA LYS A 23 0.478 -8.361 -7.586 1.00 0.00 C ATOM 356 C LYS A 23 1.510 -8.237 -6.457 1.00 0.00 C ATOM 357 O LYS A 23 1.189 -8.351 -5.296 1.00 0.00 O ATOM 358 CB LYS A 23 -0.717 -9.241 -7.179 1.00 0.00 C ATOM 359 CG LYS A 23 -0.340 -10.232 -6.067 1.00 0.00 C ATOM 360 CD LYS A 23 -1.063 -11.562 -6.302 1.00 0.00 C ATOM 361 CE LYS A 23 -0.270 -12.701 -5.658 1.00 0.00 C ATOM 362 NZ LYS A 23 1.027 -12.869 -6.373 1.00 0.00 N ATOM 0 H LYS A 23 0.944 -8.378 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 23 0.115 -7.353 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.537 -8.608 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.078 -9.790 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.739 -10.389 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.613 -9.824 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.067 -11.521 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.174 -11.743 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.092 -12.484 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.843 -13.627 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.028 -13.776 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.152 -12.091 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.807 -12.857 -5.685 1.00 0.00 H new ATOM 376 N GLN A 24 2.742 -7.979 -6.796 1.00 0.00 N ATOM 377 CA GLN A 24 3.799 -7.821 -5.753 1.00 0.00 C ATOM 378 C GLN A 24 4.572 -6.530 -6.014 1.00 0.00 C ATOM 379 O GLN A 24 5.019 -6.279 -7.116 1.00 0.00 O ATOM 380 CB GLN A 24 4.777 -8.999 -5.797 1.00 0.00 C ATOM 381 CG GLN A 24 4.337 -10.039 -6.833 1.00 0.00 C ATOM 382 CD GLN A 24 5.525 -10.932 -7.196 1.00 0.00 C ATOM 383 OE1 GLN A 24 5.483 -12.130 -6.992 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.590 -10.399 -7.728 1.00 0.00 N ATOM 0 H GLN A 24 3.066 -7.870 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 24 3.322 -7.789 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.776 -8.638 -6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.837 -9.464 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.523 -10.644 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.957 -9.541 -7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.626 -9.394 -7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.387 -10.987 -7.973 1.00 0.00 H new ATOM 393 N LEU A 25 4.736 -5.702 -5.016 1.00 0.00 N ATOM 394 CA LEU A 25 5.479 -4.441 -5.241 1.00 0.00 C ATOM 395 C LEU A 25 6.153 -3.967 -3.956 1.00 0.00 C ATOM 396 O LEU A 25 5.617 -4.100 -2.878 1.00 0.00 O ATOM 397 CB LEU A 25 4.511 -3.374 -5.739 1.00 0.00 C ATOM 398 CG LEU A 25 4.462 -3.396 -7.266 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.393 -2.418 -7.758 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.826 -2.987 -7.828 1.00 0.00 C ATOM 0 H LEU A 25 4.390 -5.847 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 25 6.255 -4.618 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.516 -3.553 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.827 -2.391 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 25 4.217 -4.402 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.359 -2.434 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.421 -2.711 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.636 -1.412 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.790 -3.003 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.073 -1.981 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.587 -3.685 -7.480 1.00 0.00 H new ATOM 412 N THR A 26 7.336 -3.426 -4.063 1.00 0.00 N ATOM 413 CA THR A 26 8.056 -2.954 -2.845 1.00 0.00 C ATOM 414 C THR A 26 7.558 -1.563 -2.452 1.00 0.00 C ATOM 415 O THR A 26 6.837 -0.917 -3.187 1.00 0.00 O ATOM 416 CB THR A 26 9.560 -2.889 -3.132 1.00 0.00 C ATOM 417 OG1 THR A 26 9.836 -1.750 -3.937 1.00 0.00 O ATOM 418 CG2 THR A 26 10.003 -4.155 -3.868 1.00 0.00 C ATOM 0 H THR A 26 7.836 -3.290 -4.942 1.00 0.00 H new ATOM 0 HA THR A 26 7.867 -3.650 -2.028 1.00 0.00 H new ATOM 0 HB THR A 26 10.105 -2.814 -2.191 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.257 -1.760 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.073 -4.103 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.792 -5.028 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.460 -4.237 -4.810 1.00 0.00 H new ATOM 426 N LEU A 27 7.945 -1.096 -1.297 1.00 0.00 N ATOM 427 CA LEU A 27 7.505 0.255 -0.848 1.00 0.00 C ATOM 428 C LEU A 27 8.135 1.319 -1.749 1.00 0.00 C ATOM 429 O LEU A 27 7.503 2.289 -2.117 1.00 0.00 O ATOM 430 CB LEU A 27 7.960 0.482 0.596 1.00 0.00 C ATOM 431 CG LEU A 27 6.782 0.977 1.435 1.00 0.00 C ATOM 432 CD1 LEU A 27 5.803 -0.173 1.673 1.00 0.00 C ATOM 433 CD2 LEU A 27 7.300 1.489 2.782 1.00 0.00 C ATOM 0 H LEU A 27 8.549 -1.594 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 27 6.419 0.323 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.353 -0.445 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.770 1.211 0.622 1.00 0.00 H new ATOM 0 HG LEU A 27 6.273 1.783 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.964 0.182 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.436 -0.542 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.311 -0.979 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.462 1.843 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.808 0.680 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.999 2.309 2.615 1.00 0.00 H new ATOM 445 N ASN A 28 9.380 1.146 -2.104 1.00 0.00 N ATOM 446 CA ASN A 28 10.055 2.150 -2.977 1.00 0.00 C ATOM 447 C ASN A 28 9.215 2.395 -4.234 1.00 0.00 C ATOM 448 O ASN A 28 9.008 3.520 -4.642 1.00 0.00 O ATOM 449 CB ASN A 28 11.435 1.626 -3.382 1.00 0.00 C ATOM 450 CG ASN A 28 12.093 2.613 -4.349 1.00 0.00 C ATOM 451 OD1 ASN A 28 11.721 3.769 -4.401 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.060 2.203 -5.123 1.00 0.00 N ATOM 0 H ASN A 28 9.959 0.353 -1.827 1.00 0.00 H new ATOM 0 HA ASN A 28 10.164 3.086 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.060 1.495 -2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.340 0.648 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.504 2.853 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.372 1.233 -5.079 1.00 0.00 H new ATOM 459 N GLU A 29 8.737 1.353 -4.854 1.00 0.00 N ATOM 460 CA GLU A 29 7.919 1.527 -6.088 1.00 0.00 C ATOM 461 C GLU A 29 6.571 2.165 -5.736 1.00 0.00 C ATOM 462 O GLU A 29 6.194 3.183 -6.281 1.00 0.00 O ATOM 463 CB GLU A 29 7.682 0.162 -6.736 1.00 0.00 C ATOM 464 CG GLU A 29 8.850 -0.170 -7.667 1.00 0.00 C ATOM 465 CD GLU A 29 9.734 -1.239 -7.021 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.186 -2.178 -6.469 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.944 -1.099 -7.089 1.00 0.00 O ATOM 0 H GLU A 29 8.877 0.386 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 29 8.452 2.177 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.586 -0.605 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.747 0.171 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.474 -0.526 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.435 0.728 -7.867 1.00 0.00 H new ATOM 474 N ILE A 30 5.841 1.570 -4.833 1.00 0.00 N ATOM 475 CA ILE A 30 4.516 2.136 -4.450 1.00 0.00 C ATOM 476 C ILE A 30 4.687 3.587 -4.001 1.00 0.00 C ATOM 477 O ILE A 30 3.920 4.455 -4.368 1.00 0.00 O ATOM 478 CB ILE A 30 3.926 1.315 -3.303 1.00 0.00 C ATOM 479 CG1 ILE A 30 3.672 -0.117 -3.783 1.00 0.00 C ATOM 480 CG2 ILE A 30 2.607 1.943 -2.852 1.00 0.00 C ATOM 481 CD1 ILE A 30 4.098 -1.104 -2.695 1.00 0.00 C ATOM 0 H ILE A 30 6.105 0.715 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 30 3.845 2.100 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 30 4.625 1.301 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.616 -0.251 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.229 -0.308 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.186 1.358 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.787 2.963 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.906 1.956 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.917 -2.123 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.159 -0.976 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.522 -0.918 -1.789 1.00 0.00 H new ATOM 493 N TYR A 31 5.689 3.859 -3.213 1.00 0.00 N ATOM 494 CA TYR A 31 5.908 5.256 -2.744 1.00 0.00 C ATOM 495 C TYR A 31 6.040 6.175 -3.960 1.00 0.00 C ATOM 496 O TYR A 31 5.419 7.216 -4.035 1.00 0.00 O ATOM 497 CB TYR A 31 7.189 5.316 -1.905 1.00 0.00 C ATOM 498 CG TYR A 31 7.628 6.752 -1.747 1.00 0.00 C ATOM 499 CD1 TYR A 31 6.674 7.776 -1.711 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.989 7.060 -1.639 1.00 0.00 C ATOM 501 CE1 TYR A 31 7.081 9.107 -1.567 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.397 8.392 -1.494 1.00 0.00 C ATOM 503 CZ TYR A 31 8.443 9.416 -1.459 1.00 0.00 C ATOM 504 OH TYR A 31 8.844 10.729 -1.316 1.00 0.00 O ATOM 0 H TYR A 31 6.365 3.175 -2.873 1.00 0.00 H new ATOM 0 HA TYR A 31 5.065 5.580 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.015 4.869 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.977 4.736 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.624 7.539 -1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.725 6.270 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.345 9.897 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.447 8.629 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 31 9.821 10.768 -1.254 1.00 0.00 H new ATOM 514 N ASN A 32 6.845 5.795 -4.913 1.00 0.00 N ATOM 515 CA ASN A 32 7.016 6.645 -6.124 1.00 0.00 C ATOM 516 C ASN A 32 5.643 7.024 -6.679 1.00 0.00 C ATOM 517 O ASN A 32 5.386 8.169 -6.995 1.00 0.00 O ATOM 518 CB ASN A 32 7.799 5.866 -7.185 1.00 0.00 C ATOM 519 CG ASN A 32 9.206 5.570 -6.664 1.00 0.00 C ATOM 520 OD1 ASN A 32 9.615 6.101 -5.651 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.969 4.738 -7.317 1.00 0.00 N ATOM 0 H ASN A 32 7.391 4.934 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 32 7.562 7.550 -5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.284 4.935 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.855 6.443 -8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.909 4.533 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.626 4.292 -8.168 1.00 0.00 H new ATOM 528 N TRP A 33 4.757 6.074 -6.800 1.00 0.00 N ATOM 529 CA TRP A 33 3.404 6.385 -7.337 1.00 0.00 C ATOM 530 C TRP A 33 2.676 7.336 -6.384 1.00 0.00 C ATOM 531 O TRP A 33 2.114 8.331 -6.795 1.00 0.00 O ATOM 532 CB TRP A 33 2.600 5.092 -7.477 1.00 0.00 C ATOM 533 CG TRP A 33 1.311 5.383 -8.175 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.098 5.243 -9.503 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.057 5.865 -7.607 1.00 0.00 C ATOM 536 NE1 TRP A 33 -0.208 5.604 -9.787 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.889 5.995 -8.651 1.00 0.00 C ATOM 538 CE3 TRP A 33 -0.345 6.196 -6.301 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -2.190 6.439 -8.407 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.654 6.644 -6.052 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.574 6.764 -7.103 1.00 0.00 C ATOM 0 H TRP A 33 4.912 5.097 -6.550 1.00 0.00 H new ATOM 0 HA TRP A 33 3.505 6.859 -8.313 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.172 4.354 -8.039 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.405 4.663 -6.494 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.827 4.905 -10.224 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.617 5.584 -10.721 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.356 6.106 -5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.895 6.531 -9.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.953 6.897 -5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.579 7.107 -6.905 1.00 0.00 H new ATOM 552 N PHE A 34 2.676 7.035 -5.114 1.00 0.00 N ATOM 553 CA PHE A 34 1.976 7.919 -4.137 1.00 0.00 C ATOM 554 C PHE A 34 2.393 9.376 -4.358 1.00 0.00 C ATOM 555 O PHE A 34 1.588 10.215 -4.709 1.00 0.00 O ATOM 556 CB PHE A 34 2.349 7.499 -2.713 1.00 0.00 C ATOM 557 CG PHE A 34 1.360 6.472 -2.218 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.152 5.295 -2.946 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.652 6.697 -1.031 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.235 4.341 -2.487 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.265 5.744 -0.573 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.473 4.566 -1.301 1.00 0.00 C ATOM 0 H PHE A 34 3.130 6.216 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 34 0.899 7.827 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.358 7.086 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.349 8.367 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.698 5.122 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.813 7.605 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.074 3.432 -3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.812 5.917 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.180 3.831 -0.947 1.00 0.00 H new ATOM 572 N THR A 35 3.643 9.685 -4.144 1.00 0.00 N ATOM 573 CA THR A 35 4.112 11.087 -4.330 1.00 0.00 C ATOM 574 C THR A 35 3.764 11.572 -5.740 1.00 0.00 C ATOM 575 O THR A 35 3.364 12.702 -5.938 1.00 0.00 O ATOM 576 CB THR A 35 5.630 11.142 -4.140 1.00 0.00 C ATOM 577 OG1 THR A 35 6.107 12.427 -4.512 1.00 0.00 O ATOM 578 CG2 THR A 35 6.293 10.076 -5.014 1.00 0.00 C ATOM 0 H THR A 35 4.361 9.024 -3.847 1.00 0.00 H new ATOM 0 HA THR A 35 3.622 11.728 -3.597 1.00 0.00 H new ATOM 0 HB THR A 35 5.873 10.954 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.079 12.463 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.374 10.115 -4.879 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.927 9.090 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.051 10.262 -6.061 1.00 0.00 H new ATOM 586 N ARG A 36 3.924 10.729 -6.720 1.00 0.00 N ATOM 587 CA ARG A 36 3.617 11.138 -8.120 1.00 0.00 C ATOM 588 C ARG A 36 2.232 11.784 -8.195 1.00 0.00 C ATOM 589 O ARG A 36 2.051 12.811 -8.819 1.00 0.00 O ATOM 590 CB ARG A 36 3.644 9.903 -9.023 1.00 0.00 C ATOM 591 CG ARG A 36 3.837 10.339 -10.477 1.00 0.00 C ATOM 592 CD ARG A 36 5.037 9.604 -11.075 1.00 0.00 C ATOM 593 NE ARG A 36 4.576 8.347 -11.728 1.00 0.00 N ATOM 594 CZ ARG A 36 5.435 7.576 -12.334 1.00 0.00 C ATOM 595 NH1 ARG A 36 6.579 8.062 -12.731 1.00 0.00 N ATOM 596 NH2 ARG A 36 5.153 6.319 -12.541 1.00 0.00 N ATOM 0 H ARG A 36 4.255 9.770 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 36 4.364 11.861 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.452 9.236 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.714 9.344 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.939 10.122 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.995 11.416 -10.527 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.541 10.240 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.763 9.376 -10.294 1.00 0.00 H new ATOM 0 HE ARG A 36 3.589 8.090 -11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.800 9.044 -12.567 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.252 7.460 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.260 5.939 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.826 5.717 -13.015 1.00 0.00 H new ATOM 610 N MET A 37 1.248 11.189 -7.579 1.00 0.00 N ATOM 611 CA MET A 37 -0.124 11.772 -7.638 1.00 0.00 C ATOM 612 C MET A 37 -0.342 12.736 -6.469 1.00 0.00 C ATOM 613 O MET A 37 -0.945 13.780 -6.623 1.00 0.00 O ATOM 614 CB MET A 37 -1.160 10.648 -7.572 1.00 0.00 C ATOM 615 CG MET A 37 -2.099 10.749 -8.776 1.00 0.00 C ATOM 616 SD MET A 37 -3.806 10.476 -8.240 1.00 0.00 S ATOM 617 CE MET A 37 -4.544 11.880 -9.110 1.00 0.00 C ATOM 0 H MET A 37 1.333 10.328 -7.039 1.00 0.00 H new ATOM 0 HA MET A 37 -0.235 12.320 -8.574 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.661 9.679 -7.567 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.730 10.718 -6.646 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.006 11.730 -9.241 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.821 10.012 -9.529 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.616 11.905 -8.916 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.089 12.806 -8.758 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.372 11.776 -10.181 1.00 0.00 H new ATOM 627 N PHE A 38 0.132 12.400 -5.301 1.00 0.00 N ATOM 628 CA PHE A 38 -0.069 13.306 -4.134 1.00 0.00 C ATOM 629 C PHE A 38 1.272 13.569 -3.436 1.00 0.00 C ATOM 630 O PHE A 38 1.871 12.659 -2.897 1.00 0.00 O ATOM 631 CB PHE A 38 -1.029 12.649 -3.139 1.00 0.00 C ATOM 632 CG PHE A 38 -2.050 11.825 -3.886 1.00 0.00 C ATOM 633 CD1 PHE A 38 -3.190 12.437 -4.418 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.855 10.447 -4.045 1.00 0.00 C ATOM 635 CE1 PHE A 38 -4.137 11.672 -5.110 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.801 9.683 -4.737 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.941 10.295 -5.269 1.00 0.00 C ATOM 0 H PHE A 38 0.647 11.542 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.485 14.250 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.474 12.017 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.529 13.412 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.340 13.499 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.975 9.975 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.018 12.144 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.651 8.621 -4.860 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.671 9.704 -5.803 1.00 0.00 H new ATOM 647 N PRO A 39 1.703 14.809 -3.454 1.00 0.00 N ATOM 648 CA PRO A 39 2.965 15.213 -2.815 1.00 0.00 C ATOM 649 C PRO A 39 2.764 15.354 -1.302 1.00 0.00 C ATOM 650 O PRO A 39 3.685 15.640 -0.565 1.00 0.00 O ATOM 651 CB PRO A 39 3.274 16.570 -3.453 1.00 0.00 C ATOM 652 CG PRO A 39 1.926 17.124 -3.973 1.00 0.00 C ATOM 653 CD PRO A 39 0.978 15.916 -4.111 1.00 0.00 C ATOM 0 HA PRO A 39 3.771 14.492 -2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.719 17.249 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.990 16.462 -4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.517 17.861 -3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.057 17.625 -4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.019 16.105 -3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.770 15.690 -5.157 1.00 0.00 H new ATOM 661 N TYR A 40 1.560 15.153 -0.837 1.00 0.00 N ATOM 662 CA TYR A 40 1.289 15.272 0.623 1.00 0.00 C ATOM 663 C TYR A 40 2.231 14.345 1.397 1.00 0.00 C ATOM 664 O TYR A 40 2.581 14.607 2.531 1.00 0.00 O ATOM 665 CB TYR A 40 -0.162 14.872 0.898 1.00 0.00 C ATOM 666 CG TYR A 40 -0.427 14.913 2.383 1.00 0.00 C ATOM 667 CD1 TYR A 40 -0.206 13.772 3.165 1.00 0.00 C ATOM 668 CD2 TYR A 40 -0.898 16.088 2.979 1.00 0.00 C ATOM 669 CE1 TYR A 40 -0.454 13.807 4.541 1.00 0.00 C ATOM 670 CE2 TYR A 40 -1.146 16.124 4.356 1.00 0.00 C ATOM 671 CZ TYR A 40 -0.925 14.985 5.137 1.00 0.00 C ATOM 672 OH TYR A 40 -1.171 15.019 6.495 1.00 0.00 O ATOM 0 H TYR A 40 0.751 14.911 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 40 1.454 16.301 0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.841 15.549 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.353 13.871 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.156 12.864 2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.070 16.967 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.283 12.927 5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.508 17.032 4.816 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.492 15.910 6.747 1.00 0.00 H new ATOM 682 N PHE A 41 2.641 13.263 0.795 1.00 0.00 N ATOM 683 CA PHE A 41 3.558 12.319 1.497 1.00 0.00 C ATOM 684 C PHE A 41 4.964 12.923 1.566 1.00 0.00 C ATOM 685 O PHE A 41 5.829 12.422 2.255 1.00 0.00 O ATOM 686 CB PHE A 41 3.605 10.997 0.730 1.00 0.00 C ATOM 687 CG PHE A 41 2.309 10.249 0.935 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.238 10.450 0.055 1.00 0.00 C ATOM 689 CD2 PHE A 41 2.179 9.353 2.002 1.00 0.00 C ATOM 690 CE1 PHE A 41 0.036 9.755 0.245 1.00 0.00 C ATOM 691 CE2 PHE A 41 0.978 8.659 2.193 1.00 0.00 C ATOM 692 CZ PHE A 41 -0.093 8.860 1.313 1.00 0.00 C ATOM 0 H PHE A 41 2.381 12.991 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 41 3.194 12.142 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.764 11.186 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.444 10.393 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.338 11.140 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.006 9.197 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.791 9.910 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.878 7.969 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.019 8.324 1.459 1.00 0.00 H new ATOM 702 N ARG A 42 5.200 13.999 0.862 1.00 0.00 N ATOM 703 CA ARG A 42 6.553 14.627 0.896 1.00 0.00 C ATOM 704 C ARG A 42 6.629 15.623 2.058 1.00 0.00 C ATOM 705 O ARG A 42 7.437 16.529 2.060 1.00 0.00 O ATOM 706 CB ARG A 42 6.818 15.355 -0.426 1.00 0.00 C ATOM 707 CG ARG A 42 6.032 16.670 -0.462 1.00 0.00 C ATOM 708 CD ARG A 42 7.009 17.848 -0.480 1.00 0.00 C ATOM 709 NE ARG A 42 7.772 17.841 -1.759 1.00 0.00 N ATOM 710 CZ ARG A 42 7.901 18.941 -2.447 1.00 0.00 C ATOM 711 NH1 ARG A 42 8.514 19.969 -1.925 1.00 0.00 N ATOM 712 NH2 ARG A 42 7.416 19.015 -3.657 1.00 0.00 N ATOM 0 H ARG A 42 4.517 14.468 0.267 1.00 0.00 H new ATOM 0 HA ARG A 42 7.306 13.852 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.884 15.555 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.526 14.723 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.393 16.700 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.378 16.739 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.465 18.787 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.694 17.779 0.365 1.00 0.00 H new ATOM 0 HE ARG A 42 8.194 16.976 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.892 19.911 -0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.615 20.830 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.936 18.212 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.517 19.876 -4.195 1.00 0.00 H new ATOM 726 N ARG A 43 5.795 15.458 3.046 1.00 0.00 N ATOM 727 CA ARG A 43 5.817 16.388 4.209 1.00 0.00 C ATOM 728 C ARG A 43 5.545 15.594 5.486 1.00 0.00 C ATOM 729 O ARG A 43 6.451 15.251 6.220 1.00 0.00 O ATOM 730 CB ARG A 43 4.737 17.458 4.027 1.00 0.00 C ATOM 731 CG ARG A 43 5.244 18.536 3.068 1.00 0.00 C ATOM 732 CD ARG A 43 4.925 19.920 3.637 1.00 0.00 C ATOM 733 NE ARG A 43 3.691 20.448 2.993 1.00 0.00 N ATOM 734 CZ ARG A 43 3.729 20.877 1.761 1.00 0.00 C ATOM 735 NH1 ARG A 43 4.519 21.865 1.439 1.00 0.00 N ATOM 736 NH2 ARG A 43 2.980 20.318 0.851 1.00 0.00 N ATOM 0 H ARG A 43 5.097 14.716 3.098 1.00 0.00 H new ATOM 0 HA ARG A 43 6.792 16.871 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.825 17.007 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.484 17.902 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.319 18.431 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.776 18.417 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.787 19.858 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.759 20.599 3.461 1.00 0.00 H new ATOM 0 HE ARG A 43 2.815 20.475 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.106 22.301 2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.549 22.201 0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.364 19.545 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.010 20.654 -0.112 1.00 0.00 H new ATOM 750 N ASN A 44 4.305 15.288 5.753 1.00 0.00 N ATOM 751 CA ASN A 44 3.980 14.503 6.975 1.00 0.00 C ATOM 752 C ASN A 44 4.192 13.018 6.682 1.00 0.00 C ATOM 753 O ASN A 44 3.286 12.215 6.799 1.00 0.00 O ATOM 754 CB ASN A 44 2.521 14.744 7.367 1.00 0.00 C ATOM 755 CG ASN A 44 2.453 15.177 8.832 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.625 14.371 9.725 1.00 0.00 O ATOM 757 ND2 ASN A 44 2.209 16.427 9.120 1.00 0.00 N ATOM 0 H ASN A 44 3.504 15.548 5.178 1.00 0.00 H new ATOM 0 HA ASN A 44 4.627 14.814 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.084 15.512 6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.938 13.835 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.163 16.726 10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.065 17.104 8.371 1.00 0.00 H new ATOM 764 N ALA A 45 5.382 12.648 6.296 1.00 0.00 N ATOM 765 CA ALA A 45 5.655 11.220 5.991 1.00 0.00 C ATOM 766 C ALA A 45 5.782 10.439 7.300 1.00 0.00 C ATOM 767 O ALA A 45 5.803 9.225 7.310 1.00 0.00 O ATOM 768 CB ALA A 45 6.960 11.107 5.200 1.00 0.00 C ATOM 0 H ALA A 45 6.177 13.276 6.179 1.00 0.00 H new ATOM 0 HA ALA A 45 4.837 10.810 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.160 10.059 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.871 11.666 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.780 11.515 5.791 1.00 0.00 H new ATOM 774 N ALA A 46 5.867 11.127 8.405 1.00 0.00 N ATOM 775 CA ALA A 46 5.990 10.426 9.713 1.00 0.00 C ATOM 776 C ALA A 46 4.632 9.835 10.102 1.00 0.00 C ATOM 777 O ALA A 46 4.552 8.832 10.783 1.00 0.00 O ATOM 778 CB ALA A 46 6.438 11.422 10.784 1.00 0.00 C ATOM 0 H ALA A 46 5.857 12.146 8.458 1.00 0.00 H new ATOM 0 HA ALA A 46 6.726 9.626 9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.528 10.910 11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.403 11.845 10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.702 12.222 10.868 1.00 0.00 H new ATOM 784 N THR A 47 3.563 10.459 9.683 1.00 0.00 N ATOM 785 CA THR A 47 2.208 9.946 10.038 1.00 0.00 C ATOM 786 C THR A 47 1.838 8.746 9.155 1.00 0.00 C ATOM 787 O THR A 47 1.502 7.688 9.647 1.00 0.00 O ATOM 788 CB THR A 47 1.176 11.059 9.836 1.00 0.00 C ATOM 789 OG1 THR A 47 1.514 12.169 10.656 1.00 0.00 O ATOM 790 CG2 THR A 47 -0.214 10.545 10.218 1.00 0.00 C ATOM 0 H THR A 47 3.570 11.303 9.110 1.00 0.00 H new ATOM 0 HA THR A 47 2.215 9.627 11.080 1.00 0.00 H new ATOM 0 HB THR A 47 1.172 11.366 8.790 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.055 12.803 10.141 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.948 11.338 10.074 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.472 9.693 9.589 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.213 10.237 11.264 1.00 0.00 H new ATOM 798 N TRP A 48 1.873 8.903 7.856 1.00 0.00 N ATOM 799 CA TRP A 48 1.496 7.769 6.960 1.00 0.00 C ATOM 800 C TRP A 48 2.417 6.565 7.206 1.00 0.00 C ATOM 801 O TRP A 48 1.984 5.430 7.174 1.00 0.00 O ATOM 802 CB TRP A 48 1.576 8.220 5.488 1.00 0.00 C ATOM 803 CG TRP A 48 2.952 8.008 4.944 1.00 0.00 C ATOM 804 CD1 TRP A 48 4.051 8.654 5.369 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.390 7.104 3.888 1.00 0.00 C ATOM 806 NE1 TRP A 48 5.144 8.210 4.649 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.787 7.253 3.721 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.719 6.180 3.068 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.495 6.511 2.775 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.428 5.431 2.114 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.813 5.596 1.968 1.00 0.00 C ATOM 0 H TRP A 48 2.145 9.763 7.379 1.00 0.00 H new ATOM 0 HA TRP A 48 0.472 7.466 7.181 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.854 7.662 4.892 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.307 9.273 5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.076 9.401 6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.097 8.548 4.787 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.653 6.045 3.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.562 6.643 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.903 4.724 1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.352 5.017 1.233 1.00 0.00 H new ATOM 822 N LYS A 49 3.680 6.796 7.448 1.00 0.00 N ATOM 823 CA LYS A 49 4.605 5.652 7.688 1.00 0.00 C ATOM 824 C LYS A 49 4.054 4.781 8.818 1.00 0.00 C ATOM 825 O LYS A 49 4.087 3.569 8.753 1.00 0.00 O ATOM 826 CB LYS A 49 5.990 6.178 8.078 1.00 0.00 C ATOM 827 CG LYS A 49 7.060 5.451 7.260 1.00 0.00 C ATOM 828 CD LYS A 49 7.237 6.151 5.911 1.00 0.00 C ATOM 829 CE LYS A 49 8.700 6.562 5.736 1.00 0.00 C ATOM 830 NZ LYS A 49 9.016 7.685 6.662 1.00 0.00 N ATOM 0 H LYS A 49 4.108 7.721 7.490 1.00 0.00 H new ATOM 0 HA LYS A 49 4.689 5.060 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.047 7.252 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.163 6.023 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.005 5.443 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.771 4.411 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.936 5.485 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.593 7.029 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.354 5.714 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.883 6.865 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.951 8.076 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.296 8.429 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.022 7.336 7.642 1.00 0.00 H new ATOM 844 N ASN A 50 3.545 5.391 9.854 1.00 0.00 N ATOM 845 CA ASN A 50 2.990 4.599 10.988 1.00 0.00 C ATOM 846 C ASN A 50 1.631 4.016 10.590 1.00 0.00 C ATOM 847 O ASN A 50 1.244 2.957 11.042 1.00 0.00 O ATOM 848 CB ASN A 50 2.814 5.507 12.206 1.00 0.00 C ATOM 849 CG ASN A 50 3.409 4.829 13.442 1.00 0.00 C ATOM 850 OD1 ASN A 50 3.299 3.630 13.604 1.00 0.00 O ATOM 851 ND2 ASN A 50 4.040 5.552 14.327 1.00 0.00 N ATOM 0 H ASN A 50 3.490 6.404 9.964 1.00 0.00 H new ATOM 0 HA ASN A 50 3.676 3.788 11.232 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.305 6.465 12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.756 5.716 12.367 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.441 5.110 15.154 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.132 6.559 14.191 1.00 0.00 H new ATOM 858 N ALA A 51 0.904 4.701 9.749 1.00 0.00 N ATOM 859 CA ALA A 51 -0.430 4.187 9.329 1.00 0.00 C ATOM 860 C ALA A 51 -0.250 3.020 8.355 1.00 0.00 C ATOM 861 O ALA A 51 -0.904 2.002 8.466 1.00 0.00 O ATOM 862 CB ALA A 51 -1.213 5.306 8.639 1.00 0.00 C ATOM 0 H ALA A 51 1.176 5.593 9.336 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.977 3.845 10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.189 4.931 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.346 6.138 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.663 5.648 7.762 1.00 0.00 H new ATOM 868 N VAL A 52 0.629 3.159 7.402 1.00 0.00 N ATOM 869 CA VAL A 52 0.845 2.057 6.422 1.00 0.00 C ATOM 870 C VAL A 52 1.380 0.821 7.150 1.00 0.00 C ATOM 871 O VAL A 52 0.869 -0.270 6.995 1.00 0.00 O ATOM 872 CB VAL A 52 1.857 2.504 5.368 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.082 1.373 4.363 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.319 3.735 4.637 1.00 0.00 C ATOM 0 H VAL A 52 1.207 3.987 7.259 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.101 1.812 5.938 1.00 0.00 H new ATOM 0 HB VAL A 52 2.801 2.751 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.804 1.692 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.464 0.495 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.138 1.125 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.040 4.055 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.375 3.487 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.159 4.542 5.352 1.00 0.00 H new ATOM 884 N ARG A 53 2.406 0.984 7.939 1.00 0.00 N ATOM 885 CA ARG A 53 2.973 -0.183 8.672 1.00 0.00 C ATOM 886 C ARG A 53 1.877 -0.845 9.509 1.00 0.00 C ATOM 887 O ARG A 53 1.766 -2.054 9.560 1.00 0.00 O ATOM 888 CB ARG A 53 4.100 0.292 9.591 1.00 0.00 C ATOM 889 CG ARG A 53 5.004 -0.891 9.943 1.00 0.00 C ATOM 890 CD ARG A 53 6.406 -0.646 9.384 1.00 0.00 C ATOM 891 NE ARG A 53 6.331 -0.500 7.902 1.00 0.00 N ATOM 892 CZ ARG A 53 6.939 -1.358 7.131 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.086 -2.595 7.518 1.00 0.00 N ATOM 894 NH2 ARG A 53 7.400 -0.981 5.970 1.00 0.00 N ATOM 0 H ARG A 53 2.876 1.874 8.108 1.00 0.00 H new ATOM 0 HA ARG A 53 3.366 -0.904 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.680 1.073 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.684 0.728 10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.049 -1.018 11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.592 -1.812 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.834 0.253 9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.064 -1.475 9.646 1.00 0.00 H new ATOM 0 HE ARG A 53 5.804 0.271 7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.725 -2.892 8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.562 -3.265 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.285 -0.015 5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.876 -1.653 5.367 1.00 0.00 H new ATOM 908 N HIS A 54 1.066 -0.063 10.167 1.00 0.00 N ATOM 909 CA HIS A 54 -0.019 -0.649 11.002 1.00 0.00 C ATOM 910 C HIS A 54 -0.962 -1.469 10.117 1.00 0.00 C ATOM 911 O HIS A 54 -1.313 -2.587 10.438 1.00 0.00 O ATOM 912 CB HIS A 54 -0.804 0.477 11.680 1.00 0.00 C ATOM 913 CG HIS A 54 -2.054 -0.086 12.299 1.00 0.00 C ATOM 914 ND1 HIS A 54 -2.032 -0.816 13.477 1.00 0.00 N ATOM 915 CD2 HIS A 54 -3.371 -0.036 11.914 1.00 0.00 C ATOM 916 CE1 HIS A 54 -3.299 -1.173 13.756 1.00 0.00 C ATOM 917 NE2 HIS A 54 -4.155 -0.724 12.835 1.00 0.00 N ATOM 0 H HIS A 54 1.108 0.956 10.162 1.00 0.00 H new ATOM 0 HA HIS A 54 0.418 -1.297 11.762 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.190 0.954 12.444 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.061 1.246 10.951 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.742 0.462 11.030 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.588 -1.752 14.620 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.166 -0.857 12.812 1.00 0.00 H new ATOM 925 N ASN A 55 -1.379 -0.921 9.010 1.00 0.00 N ATOM 926 CA ASN A 55 -2.303 -1.669 8.112 1.00 0.00 C ATOM 927 C ASN A 55 -1.597 -2.904 7.549 1.00 0.00 C ATOM 928 O ASN A 55 -2.116 -4.001 7.593 1.00 0.00 O ATOM 929 CB ASN A 55 -2.738 -0.763 6.958 1.00 0.00 C ATOM 930 CG ASN A 55 -3.965 0.048 7.377 1.00 0.00 C ATOM 931 OD1 ASN A 55 -5.035 -0.498 7.560 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.855 1.338 7.540 1.00 0.00 N ATOM 0 H ASN A 55 -1.120 0.012 8.688 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.177 -1.984 8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.924 -0.093 6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.969 -1.363 6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.667 1.888 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.957 1.797 7.387 1.00 0.00 H new ATOM 939 N LEU A 56 -0.420 -2.735 7.016 1.00 0.00 N ATOM 940 CA LEU A 56 0.316 -3.900 6.444 1.00 0.00 C ATOM 941 C LEU A 56 0.372 -5.035 7.470 1.00 0.00 C ATOM 942 O LEU A 56 -0.141 -6.114 7.246 1.00 0.00 O ATOM 943 CB LEU A 56 1.739 -3.474 6.081 1.00 0.00 C ATOM 944 CG LEU A 56 1.961 -3.660 4.580 1.00 0.00 C ATOM 945 CD1 LEU A 56 1.791 -5.136 4.216 1.00 0.00 C ATOM 946 CD2 LEU A 56 0.938 -2.824 3.807 1.00 0.00 C ATOM 0 H LEU A 56 0.066 -1.841 6.951 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.203 -4.248 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.899 -2.432 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.461 -4.067 6.642 1.00 0.00 H new ATOM 0 HG LEU A 56 2.969 -3.336 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.949 -5.267 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.518 -5.733 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.784 -5.461 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.095 -2.956 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.069 -3.148 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.059 -1.772 4.065 1.00 0.00 H new ATOM 958 N SER A 57 1.004 -4.805 8.588 1.00 0.00 N ATOM 959 CA SER A 57 1.110 -5.873 9.625 1.00 0.00 C ATOM 960 C SER A 57 -0.276 -6.448 9.939 1.00 0.00 C ATOM 961 O SER A 57 -0.441 -7.643 10.081 1.00 0.00 O ATOM 962 CB SER A 57 1.715 -5.285 10.901 1.00 0.00 C ATOM 963 OG SER A 57 3.021 -5.815 11.090 1.00 0.00 O ATOM 0 H SER A 57 1.453 -3.922 8.830 1.00 0.00 H new ATOM 0 HA SER A 57 1.748 -6.671 9.246 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.758 -4.198 10.829 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.086 -5.523 11.759 1.00 0.00 H new ATOM 0 HG SER A 57 3.412 -5.439 11.906 1.00 0.00 H new ATOM 969 N LEU A 58 -1.270 -5.611 10.058 1.00 0.00 N ATOM 970 CA LEU A 58 -2.636 -6.124 10.374 1.00 0.00 C ATOM 971 C LEU A 58 -3.331 -6.582 9.089 1.00 0.00 C ATOM 972 O LEU A 58 -4.510 -6.874 9.085 1.00 0.00 O ATOM 973 CB LEU A 58 -3.459 -5.015 11.031 1.00 0.00 C ATOM 974 CG LEU A 58 -4.807 -5.580 11.481 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.914 -5.500 13.006 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.937 -4.766 10.849 1.00 0.00 C ATOM 0 H LEU A 58 -1.198 -4.599 9.951 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.551 -6.970 11.057 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.921 -4.605 11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.612 -4.196 10.328 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.886 -6.621 11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.875 -5.903 13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.109 -6.080 13.458 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.834 -4.460 13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.898 -5.168 11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.856 -3.726 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.863 -4.823 9.763 1.00 0.00 H new ATOM 988 N HIS A 59 -2.615 -6.648 8.000 1.00 0.00 N ATOM 989 CA HIS A 59 -3.244 -7.088 6.723 1.00 0.00 C ATOM 990 C HIS A 59 -2.741 -8.487 6.359 1.00 0.00 C ATOM 991 O HIS A 59 -1.586 -8.677 6.033 1.00 0.00 O ATOM 992 CB HIS A 59 -2.875 -6.105 5.613 1.00 0.00 C ATOM 993 CG HIS A 59 -3.760 -4.894 5.705 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.078 -4.971 6.128 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.531 -3.567 5.434 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.587 -3.726 6.100 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.686 -2.832 5.686 1.00 0.00 N ATOM 0 H HIS A 59 -1.623 -6.417 7.939 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.327 -7.115 6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.829 -5.812 5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.990 -6.580 4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.597 -3.156 5.079 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.601 -3.480 6.379 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.816 -1.826 5.578 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.599 -9.469 6.417 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.169 -10.855 6.080 1.00 0.00 C ATOM 1007 C LYS A 60 -3.108 -11.023 4.560 1.00 0.00 C ATOM 1008 O LYS A 60 -2.370 -11.841 4.048 1.00 0.00 O ATOM 1009 CB LYS A 60 -4.170 -11.855 6.665 1.00 0.00 C ATOM 1010 CG LYS A 60 -5.573 -11.543 6.141 1.00 0.00 C ATOM 1011 CD LYS A 60 -6.433 -10.995 7.282 1.00 0.00 C ATOM 1012 CE LYS A 60 -7.272 -12.128 7.879 1.00 0.00 C ATOM 1013 NZ LYS A 60 -7.251 -12.031 9.366 1.00 0.00 N ATOM 0 H LYS A 60 -4.579 -9.371 6.683 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.181 -11.038 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.886 -12.871 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.158 -11.803 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.517 -10.815 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.028 -12.444 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.798 -10.554 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.084 -10.202 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.297 -12.067 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.878 -13.093 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.821 -12.800 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.271 -12.110 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.647 -11.115 9.660 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.873 -10.256 3.834 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.847 -10.380 2.350 1.00 0.00 C ATOM 1029 C TYR A 61 -2.544 -9.785 1.816 1.00 0.00 C ATOM 1030 O TYR A 61 -2.206 -9.943 0.658 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.040 -9.634 1.749 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.941 -8.166 2.086 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.169 -7.316 1.286 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.621 -7.656 3.198 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.077 -5.954 1.597 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.530 -6.294 3.509 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.757 -5.443 2.709 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.667 -4.101 3.015 1.00 0.00 O ATOM 0 H TYR A 61 -4.512 -9.552 4.202 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.907 -11.432 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.059 -9.769 0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.972 -10.045 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.644 -7.711 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.216 -8.313 3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.482 -5.298 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.056 -5.899 4.366 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.911 -3.706 2.533 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.803 -9.108 2.650 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.517 -8.511 2.190 1.00 0.00 C ATOM 1050 C PHE A 62 0.616 -9.507 2.443 1.00 0.00 C ATOM 1051 O PHE A 62 0.916 -9.841 3.573 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.239 -7.225 2.972 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.703 -6.031 2.173 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.437 -5.956 0.801 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.397 -4.994 2.809 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.865 -4.844 0.064 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.826 -3.884 2.073 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.560 -3.809 0.701 1.00 0.00 C ATOM 0 H PHE A 62 -2.032 -8.942 3.630 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.581 -8.283 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.754 -7.254 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.827 -7.140 3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.098 -6.755 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.601 -5.051 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.659 -4.785 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.362 -3.085 2.564 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.891 -2.952 0.133 1.00 0.00 H new ATOM 1068 N VAL A 63 1.251 -9.987 1.409 1.00 0.00 N ATOM 1069 CA VAL A 63 2.360 -10.960 1.614 1.00 0.00 C ATOM 1070 C VAL A 63 3.672 -10.343 1.126 1.00 0.00 C ATOM 1071 O VAL A 63 3.719 -9.696 0.100 1.00 0.00 O ATOM 1072 CB VAL A 63 2.071 -12.240 0.829 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.245 -13.210 0.978 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.799 -12.894 1.376 1.00 0.00 C ATOM 0 H VAL A 63 1.051 -9.749 0.437 1.00 0.00 H new ATOM 0 HA VAL A 63 2.443 -11.200 2.674 1.00 0.00 H new ATOM 0 HB VAL A 63 1.934 -11.996 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.037 -14.122 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.152 -12.745 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.383 -13.455 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.590 -13.807 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.939 -13.136 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.039 -12.205 1.270 1.00 0.00 H new ATOM 1084 N ARG A 64 4.738 -10.532 1.857 1.00 0.00 N ATOM 1085 CA ARG A 64 6.040 -9.949 1.431 1.00 0.00 C ATOM 1086 C ARG A 64 6.991 -11.067 0.998 1.00 0.00 C ATOM 1087 O ARG A 64 7.102 -12.087 1.648 1.00 0.00 O ATOM 1088 CB ARG A 64 6.661 -9.177 2.597 1.00 0.00 C ATOM 1089 CG ARG A 64 6.585 -10.021 3.870 1.00 0.00 C ATOM 1090 CD ARG A 64 7.841 -9.789 4.713 1.00 0.00 C ATOM 1091 NE ARG A 64 8.159 -11.024 5.483 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.077 -11.019 6.786 1.00 0.00 C ATOM 1093 NH1 ARG A 64 7.172 -10.291 7.379 1.00 0.00 N ATOM 1094 NH2 ARG A 64 8.900 -11.744 7.494 1.00 0.00 N ATOM 0 H ARG A 64 4.762 -11.063 2.727 1.00 0.00 H new ATOM 0 HA ARG A 64 5.873 -9.273 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.699 -8.932 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.135 -8.233 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.696 -9.756 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.496 -11.077 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.680 -9.523 4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.685 -8.953 5.395 1.00 0.00 H new ATOM 0 HE ARG A 64 8.441 -11.873 4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.529 -9.726 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.108 -10.287 8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.607 -12.314 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.836 -11.740 8.512 1.00 0.00 H new ATOM 1108 N VAL A 65 7.675 -10.881 -0.096 1.00 0.00 N ATOM 1109 CA VAL A 65 8.617 -11.924 -0.573 1.00 0.00 C ATOM 1110 C VAL A 65 10.054 -11.427 -0.406 1.00 0.00 C ATOM 1111 O VAL A 65 10.608 -10.792 -1.282 1.00 0.00 O ATOM 1112 CB VAL A 65 8.347 -12.224 -2.049 1.00 0.00 C ATOM 1113 CG1 VAL A 65 9.146 -13.456 -2.475 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.854 -12.493 -2.248 1.00 0.00 C ATOM 0 H VAL A 65 7.620 -10.047 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 65 8.477 -12.834 0.011 1.00 0.00 H new ATOM 0 HB VAL A 65 8.648 -11.369 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.953 -13.669 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.210 -13.267 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.845 -14.312 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.660 -12.707 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.554 -13.348 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.283 -11.616 -1.945 1.00 0.00 H new ATOM 1124 N GLU A 66 10.661 -11.706 0.715 1.00 0.00 N ATOM 1125 CA GLU A 66 12.057 -11.248 0.941 1.00 0.00 C ATOM 1126 C GLU A 66 13.019 -12.120 0.131 1.00 0.00 C ATOM 1127 O GLU A 66 13.450 -13.165 0.577 1.00 0.00 O ATOM 1128 CB GLU A 66 12.397 -11.360 2.429 1.00 0.00 C ATOM 1129 CG GLU A 66 13.861 -10.972 2.648 1.00 0.00 C ATOM 1130 CD GLU A 66 14.036 -10.411 4.060 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.409 -10.937 4.965 1.00 0.00 O ATOM 1132 OE2 GLU A 66 14.794 -9.468 4.211 1.00 0.00 O ATOM 0 H GLU A 66 10.248 -12.233 1.485 1.00 0.00 H new ATOM 0 HA GLU A 66 12.153 -10.210 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.746 -10.709 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.223 -12.378 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.503 -11.842 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.166 -10.230 1.910 1.00 0.00 H new ATOM 1139 N ASN A 67 13.361 -11.699 -1.055 1.00 0.00 N ATOM 1140 CA ASN A 67 14.292 -12.500 -1.888 1.00 0.00 C ATOM 1141 C ASN A 67 15.392 -11.592 -2.443 1.00 0.00 C ATOM 1142 O ASN A 67 15.326 -10.384 -2.337 1.00 0.00 O ATOM 1143 CB ASN A 67 13.524 -13.144 -3.044 1.00 0.00 C ATOM 1144 CG ASN A 67 12.855 -12.055 -3.883 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.686 -10.941 -3.430 1.00 0.00 O ATOM 1146 ND2 ASN A 67 12.464 -12.333 -5.096 1.00 0.00 N ATOM 0 H ASN A 67 13.033 -10.832 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 67 14.743 -13.282 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.203 -13.729 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.773 -13.832 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.016 -11.614 -5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.606 -13.269 -5.476 1.00 0.00 H new ATOM 1153 N VAL A 68 16.405 -12.166 -3.035 1.00 0.00 N ATOM 1154 CA VAL A 68 17.507 -11.336 -3.595 1.00 0.00 C ATOM 1155 C VAL A 68 16.918 -10.203 -4.437 1.00 0.00 C ATOM 1156 O VAL A 68 17.438 -9.106 -4.469 1.00 0.00 O ATOM 1157 CB VAL A 68 18.409 -12.209 -4.471 1.00 0.00 C ATOM 1158 CG1 VAL A 68 19.466 -12.886 -3.597 1.00 0.00 C ATOM 1159 CG2 VAL A 68 17.563 -13.277 -5.168 1.00 0.00 C ATOM 0 H VAL A 68 16.516 -13.173 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 68 18.093 -10.913 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 68 18.900 -11.588 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 68 20.109 -13.508 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 68 20.068 -12.126 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.975 -13.507 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.204 -13.899 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.072 -13.899 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.809 -12.795 -5.790 1.00 0.00 H new ATOM 1169 N LYS A 69 15.836 -10.459 -5.120 1.00 0.00 N ATOM 1170 CA LYS A 69 15.217 -9.398 -5.959 1.00 0.00 C ATOM 1171 C LYS A 69 14.793 -8.227 -5.070 1.00 0.00 C ATOM 1172 O LYS A 69 14.606 -7.119 -5.533 1.00 0.00 O ATOM 1173 CB LYS A 69 13.991 -9.963 -6.679 1.00 0.00 C ATOM 1174 CG LYS A 69 13.656 -9.083 -7.884 1.00 0.00 C ATOM 1175 CD LYS A 69 13.260 -9.966 -9.069 1.00 0.00 C ATOM 1176 CE LYS A 69 14.509 -10.632 -9.650 1.00 0.00 C ATOM 1177 NZ LYS A 69 14.103 -11.694 -10.613 1.00 0.00 N ATOM 0 H LYS A 69 15.355 -11.358 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 69 15.941 -9.051 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.186 -10.985 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.142 -10.003 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.841 -8.403 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.516 -8.467 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.546 -10.725 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.766 -9.367 -9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.130 -9.890 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.110 -11.063 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.952 -12.147 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.527 -12.407 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.546 -11.270 -11.383 1.00 0.00 H new ATOM 1191 N GLY A 70 14.638 -8.463 -3.795 1.00 0.00 N ATOM 1192 CA GLY A 70 14.228 -7.371 -2.879 1.00 0.00 C ATOM 1193 C GLY A 70 12.860 -7.698 -2.278 1.00 0.00 C ATOM 1194 O GLY A 70 12.003 -8.264 -2.928 1.00 0.00 O ATOM 0 H GLY A 70 14.779 -9.370 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.966 -7.250 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.183 -6.426 -3.420 1.00 0.00 H new ATOM 1198 N ALA A 71 12.648 -7.350 -1.038 1.00 0.00 N ATOM 1199 CA ALA A 71 11.338 -7.643 -0.395 1.00 0.00 C ATOM 1200 C ALA A 71 10.220 -6.934 -1.161 1.00 0.00 C ATOM 1201 O ALA A 71 10.193 -5.723 -1.258 1.00 0.00 O ATOM 1202 CB ALA A 71 11.358 -7.150 1.052 1.00 0.00 C ATOM 0 H ALA A 71 13.327 -6.875 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 71 11.160 -8.718 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.399 -7.365 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.152 -7.658 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.537 -6.075 1.068 1.00 0.00 H new ATOM 1208 N VAL A 72 9.294 -7.677 -1.705 1.00 0.00 N ATOM 1209 CA VAL A 72 8.179 -7.040 -2.461 1.00 0.00 C ATOM 1210 C VAL A 72 6.872 -7.202 -1.684 1.00 0.00 C ATOM 1211 O VAL A 72 6.660 -8.184 -1.004 1.00 0.00 O ATOM 1212 CB VAL A 72 8.025 -7.712 -3.825 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.261 -7.434 -4.682 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.871 -9.223 -3.633 1.00 0.00 C ATOM 0 H VAL A 72 9.262 -8.695 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 72 8.404 -5.982 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 72 7.142 -7.313 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.146 -7.915 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.373 -6.359 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.146 -7.830 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.761 -9.704 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.754 -9.618 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.988 -9.425 -3.026 1.00 0.00 H new ATOM 1224 N TRP A 73 5.993 -6.248 -1.794 1.00 0.00 N ATOM 1225 CA TRP A 73 4.695 -6.348 -1.078 1.00 0.00 C ATOM 1226 C TRP A 73 3.605 -6.776 -2.062 1.00 0.00 C ATOM 1227 O TRP A 73 3.380 -6.131 -3.065 1.00 0.00 O ATOM 1228 CB TRP A 73 4.322 -4.998 -0.457 1.00 0.00 C ATOM 1229 CG TRP A 73 5.200 -4.721 0.720 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.240 -3.855 0.728 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.132 -5.291 2.060 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.814 -3.857 1.987 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.168 -4.727 2.842 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.283 -6.233 2.665 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.354 -5.084 4.178 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.467 -6.596 4.011 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.500 -6.022 4.765 1.00 0.00 C ATOM 0 H TRP A 73 6.118 -5.402 -2.350 1.00 0.00 H new ATOM 0 HA TRP A 73 4.786 -7.087 -0.282 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.430 -4.205 -1.197 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.277 -5.006 -0.148 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.568 -3.260 -0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.616 -3.285 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.484 -6.681 2.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.152 -4.639 4.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.809 -7.321 4.466 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.636 -6.304 5.799 1.00 0.00 H new ATOM 1248 N THR A 74 2.929 -7.862 -1.796 1.00 0.00 N ATOM 1249 CA THR A 74 1.878 -8.313 -2.736 1.00 0.00 C ATOM 1250 C THR A 74 0.543 -8.490 -2.011 1.00 0.00 C ATOM 1251 O THR A 74 0.478 -8.528 -0.798 1.00 0.00 O ATOM 1252 CB THR A 74 2.302 -9.643 -3.362 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.177 -10.259 -3.975 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.862 -10.563 -2.276 1.00 0.00 C ATOM 0 H THR A 74 3.062 -8.449 -0.972 1.00 0.00 H new ATOM 0 HA THR A 74 1.751 -7.558 -3.512 1.00 0.00 H new ATOM 0 HB THR A 74 3.070 -9.462 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.726 -10.837 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.164 -11.511 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.726 -10.090 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.096 -10.745 -1.522 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.523 -8.603 -2.758 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.866 -8.784 -2.137 1.00 0.00 C ATOM 1264 C VAL A 75 -2.478 -10.094 -2.633 1.00 0.00 C ATOM 1265 O VAL A 75 -2.381 -10.431 -3.796 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.774 -7.621 -2.541 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.213 -7.926 -2.121 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.301 -6.338 -1.854 1.00 0.00 C ATOM 0 H VAL A 75 -0.520 -8.577 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.766 -8.811 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.732 -7.488 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.860 -7.097 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.550 -8.838 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.256 -8.061 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.949 -5.510 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.340 -6.469 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.277 -6.120 -2.157 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.112 -10.835 -1.766 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.732 -12.118 -2.203 1.00 0.00 C ATOM 1280 C ASP A 76 -5.183 -11.862 -2.613 1.00 0.00 C ATOM 1281 O ASP A 76 -6.017 -11.513 -1.802 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.690 -13.129 -1.055 1.00 0.00 C ATOM 1283 CG ASP A 76 -3.489 -14.535 -1.623 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -3.827 -14.739 -2.777 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.999 -15.383 -0.894 1.00 0.00 O ATOM 0 H ASP A 76 -3.227 -10.609 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.179 -12.520 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.880 -12.883 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.617 -13.085 -0.483 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.489 -12.023 -3.872 1.00 0.00 N ATOM 1291 CA GLU A 77 -6.882 -11.782 -4.342 1.00 0.00 C ATOM 1292 C GLU A 77 -7.858 -12.645 -3.541 1.00 0.00 C ATOM 1293 O GLU A 77 -8.914 -12.194 -3.141 1.00 0.00 O ATOM 1294 CB GLU A 77 -6.988 -12.137 -5.826 1.00 0.00 C ATOM 1295 CG GLU A 77 -5.781 -11.568 -6.574 1.00 0.00 C ATOM 1296 CD GLU A 77 -4.903 -12.717 -7.076 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -5.443 -13.780 -7.333 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -3.706 -12.514 -7.192 1.00 0.00 O ATOM 0 H GLU A 77 -4.832 -12.312 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.132 -10.731 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.029 -13.219 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.911 -11.733 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.115 -10.958 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.205 -10.917 -5.916 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.520 -13.880 -3.300 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.434 -14.758 -2.525 1.00 0.00 C ATOM 1307 C VAL A 78 -8.630 -14.168 -1.132 1.00 0.00 C ATOM 1308 O VAL A 78 -9.735 -13.894 -0.707 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.821 -16.152 -2.401 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.923 -17.168 -2.102 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.125 -16.522 -3.711 1.00 0.00 C ATOM 0 H VAL A 78 -6.651 -14.318 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.394 -14.829 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.093 -16.158 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.486 -18.163 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.417 -16.904 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.652 -17.163 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.688 -17.516 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.852 -16.516 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.339 -15.797 -3.922 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.558 -13.974 -0.418 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.664 -13.406 0.952 1.00 0.00 C ATOM 1323 C GLU A 79 -8.177 -11.964 0.882 1.00 0.00 C ATOM 1324 O GLU A 79 -8.999 -11.551 1.676 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.284 -13.422 1.614 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.440 -13.235 3.125 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.023 -14.519 3.843 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.061 -15.564 3.216 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -5.674 -14.435 5.010 1.00 0.00 O ATOM 0 H GLU A 79 -6.609 -14.186 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.362 -14.006 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.779 -14.365 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.662 -12.628 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.827 -12.400 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.474 -12.990 3.367 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.695 -11.194 -0.056 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.153 -9.780 -0.167 1.00 0.00 C ATOM 1338 C PHE A 80 -9.658 -9.743 -0.435 1.00 0.00 C ATOM 1339 O PHE A 80 -10.373 -8.918 0.097 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.412 -9.094 -1.316 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.759 -7.624 -1.336 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.858 -7.172 -2.076 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.978 -6.712 -0.616 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.177 -5.808 -2.094 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.297 -5.349 -0.633 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.397 -4.897 -1.373 1.00 0.00 C ATOM 0 H PHE A 80 -7.005 -11.483 -0.749 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.942 -9.258 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.336 -9.223 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.685 -9.555 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.460 -7.875 -2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.129 -7.060 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.025 -5.459 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.695 -4.646 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.643 -3.846 -1.387 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.145 -10.629 -1.261 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.603 -10.639 -1.566 1.00 0.00 C ATOM 1358 C GLN A 81 -12.353 -11.414 -0.481 1.00 0.00 C ATOM 1359 O GLN A 81 -13.565 -11.386 -0.412 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.830 -11.311 -2.922 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.323 -11.295 -3.257 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.811 -12.726 -3.484 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -14.018 -13.138 -4.609 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.003 -13.508 -2.458 1.00 0.00 N ATOM 0 H GLN A 81 -9.596 -11.345 -1.737 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.974 -9.615 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.267 -10.790 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.463 -12.337 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.884 -10.833 -2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.500 -10.694 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.829 -13.163 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.327 -14.465 -2.600 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.645 -12.110 0.365 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.319 -12.886 1.438 1.00 0.00 C ATOM 1375 C LYS A 82 -12.835 -11.936 2.522 1.00 0.00 C ATOM 1376 O LYS A 82 -13.953 -12.054 2.983 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.326 -13.873 2.055 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.929 -15.279 2.051 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.850 -16.299 2.421 1.00 0.00 C ATOM 1380 CE LYS A 82 -11.268 -17.687 1.933 1.00 0.00 C ATOM 1381 NZ LYS A 82 -12.350 -18.219 2.810 1.00 0.00 N ATOM 0 H LYS A 82 -10.627 -12.174 0.358 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.160 -13.433 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.393 -13.865 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.085 -13.573 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.755 -15.334 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.338 -15.508 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.898 -16.016 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.702 -16.311 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.616 -17.632 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.412 -18.361 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.634 -19.163 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.003 -18.286 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.170 -17.580 2.777 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.026 -11.002 2.942 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.465 -10.056 4.000 1.00 0.00 C ATOM 1397 C ARG A 83 -12.886 -8.723 3.373 1.00 0.00 C ATOM 1398 O ARG A 83 -13.255 -7.793 4.062 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.313 -9.818 4.977 1.00 0.00 C ATOM 1400 CG ARG A 83 -11.693 -10.359 6.356 1.00 0.00 C ATOM 1401 CD ARG A 83 -12.202 -11.795 6.216 1.00 0.00 C ATOM 1402 NE ARG A 83 -11.314 -12.714 6.980 1.00 0.00 N ATOM 1403 CZ ARG A 83 -11.514 -14.003 6.936 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -12.730 -14.474 6.895 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -10.497 -14.820 6.932 1.00 0.00 N ATOM 0 H ARG A 83 -11.078 -10.855 2.595 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.316 -10.484 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.410 -10.311 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.091 -8.753 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.829 -10.331 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.462 -9.731 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.224 -11.868 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.224 -12.083 5.165 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.549 -12.336 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.525 -13.835 6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.886 -15.481 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.546 -14.451 6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.652 -15.828 6.898 1.00 0.00 H new ATOM 1419 N ARG A 84 -12.830 -8.619 2.073 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.222 -7.345 1.410 1.00 0.00 C ATOM 1421 C ARG A 84 -14.727 -7.102 1.580 1.00 0.00 C ATOM 1422 O ARG A 84 -15.133 -6.046 2.021 1.00 0.00 O ATOM 1423 CB ARG A 84 -12.885 -7.419 -0.080 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.007 -6.225 -0.462 1.00 0.00 C ATOM 1425 CD ARG A 84 -12.843 -5.200 -1.230 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.569 -3.836 -0.698 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.505 -2.928 -0.714 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -14.553 -3.059 0.053 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -13.395 -1.890 -1.498 1.00 0.00 N ATOM 0 H ARG A 84 -12.529 -9.362 1.442 1.00 0.00 H new ATOM 0 HA ARG A 84 -12.674 -6.523 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.366 -8.352 -0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.800 -7.416 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.586 -5.769 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.169 -6.558 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.603 -5.242 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.903 -5.434 -1.133 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.648 -3.612 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.639 -3.871 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.286 -2.349 0.041 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.577 -1.789 -2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.127 -1.180 -1.510 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.512 -8.086 1.217 1.00 0.00 N ATOM 1444 CA PRO A 85 -16.981 -8.004 1.307 1.00 0.00 C ATOM 1445 C PRO A 85 -17.451 -8.207 2.750 1.00 0.00 C ATOM 1446 O PRO A 85 -18.593 -7.959 3.081 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.460 -9.146 0.408 1.00 0.00 C ATOM 1448 CG PRO A 85 -16.286 -10.149 0.310 1.00 0.00 C ATOM 1449 CD PRO A 85 -15.010 -9.372 0.686 1.00 0.00 C ATOM 0 HA PRO A 85 -17.372 -7.033 1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.345 -9.624 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.736 -8.774 -0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.439 -10.992 0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.208 -10.557 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.422 -9.908 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.366 -9.221 -0.180 1.00 0.00 H new ATOM 1457 N GLN A 86 -16.582 -8.658 3.612 1.00 0.00 N ATOM 1458 CA GLN A 86 -16.985 -8.877 5.027 1.00 0.00 C ATOM 1459 C GLN A 86 -17.384 -7.541 5.660 1.00 0.00 C ATOM 1460 O GLN A 86 -18.518 -7.339 6.044 1.00 0.00 O ATOM 1461 CB GLN A 86 -15.812 -9.481 5.803 1.00 0.00 C ATOM 1462 CG GLN A 86 -16.343 -10.261 7.007 1.00 0.00 C ATOM 1463 CD GLN A 86 -17.151 -11.467 6.521 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -18.360 -11.488 6.635 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -16.529 -12.478 5.978 1.00 0.00 N ATOM 0 H GLN A 86 -15.611 -8.884 3.397 1.00 0.00 H new ATOM 0 HA GLN A 86 -17.834 -9.560 5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -15.235 -10.141 5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -15.138 -8.692 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -15.514 -10.594 7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -16.969 -9.616 7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.514 -12.460 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -17.058 -13.286 5.649 1.00 0.00 H new ATOM 1474 N LYS A 87 -16.458 -6.628 5.774 1.00 0.00 N ATOM 1475 CA LYS A 87 -16.782 -5.307 6.383 1.00 0.00 C ATOM 1476 C LYS A 87 -17.121 -5.498 7.863 1.00 0.00 C ATOM 1477 O LYS A 87 -16.431 -4.922 8.688 1.00 0.00 O ATOM 1478 CB LYS A 87 -17.982 -4.688 5.664 1.00 0.00 C ATOM 1479 CG LYS A 87 -17.894 -4.986 4.166 1.00 0.00 C ATOM 1480 CD LYS A 87 -18.890 -4.102 3.412 1.00 0.00 C ATOM 1481 CE LYS A 87 -18.616 -4.187 1.909 1.00 0.00 C ATOM 1482 NZ LYS A 87 -19.527 -5.195 1.296 1.00 0.00 N ATOM 1483 OXT LYS A 87 -18.063 -6.219 8.145 1.00 0.00 O ATOM 0 H LYS A 87 -15.490 -6.740 5.471 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.921 -4.645 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -18.910 -5.091 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.002 -3.611 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.882 -4.801 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.111 -6.038 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.910 -4.423 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.804 -3.069 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.769 -3.213 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.577 -4.465 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.342 -5.254 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.360 -6.124 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.515 -4.911 1.453 1.00 0.00 H new TER 1497 LYS A 87