USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 615 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 8 TYR OH : rot 178:sc= 1.3 USER MOD Set 2.2: A 82 HIS : no HD1:sc= 0.616 K(o=1.9,f=-3.3) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 66:sc= 1.1 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 157:sc= -0.192 (180deg=-0.793) USER MOD Single : A 30 TYR OH : rot -179:sc= 1.29 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.1) USER MOD Single : A 52 SER OG : rot -24:sc= 0.702 USER MOD Single : A 53 HIS : no HE2:sc= 0.484 K(o=0.48,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot -35:sc= 0.349 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -173:sc= -2.44 (180deg=-2.75) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0.164 USER MOD Single : A 67 THR OG1 : rot -45:sc= 0.344 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.852) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -4.978 -13.454 -6.937 1.00 0.00 N ATOM 36 CA ILE A 5 -4.861 -12.393 -5.941 1.00 0.00 C ATOM 37 C ILE A 5 -6.201 -11.776 -5.532 1.00 0.00 C ATOM 38 O ILE A 5 -6.277 -11.088 -4.517 1.00 0.00 O ATOM 39 CB ILE A 5 -3.903 -11.302 -6.477 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.493 -10.532 -7.686 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.538 -11.929 -6.823 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.629 -9.352 -8.143 1.00 0.00 C ATOM 0 HA ILE A 5 -4.460 -12.847 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.766 -10.564 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.619 -11.223 -8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.485 -10.165 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.868 -11.156 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.107 -12.379 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.673 -12.696 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.104 -8.861 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.523 -8.640 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.644 -9.715 -8.438 1.00 0.00 H new ATOM 54 N ASP A 6 -7.257 -11.995 -6.317 1.00 0.00 N ATOM 55 CA ASP A 6 -8.517 -11.268 -6.184 1.00 0.00 C ATOM 56 C ASP A 6 -9.204 -11.530 -4.849 1.00 0.00 C ATOM 57 O ASP A 6 -9.898 -10.655 -4.342 1.00 0.00 O ATOM 58 CB ASP A 6 -9.431 -11.659 -7.341 1.00 0.00 C ATOM 59 CG ASP A 6 -10.497 -10.610 -7.647 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.093 -9.484 -8.025 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.704 -10.950 -7.668 1.00 0.00 O ATOM 0 H ASP A 6 -7.260 -12.686 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.301 -10.200 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.827 -11.824 -8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.919 -12.605 -7.106 1.00 0.00 H new ATOM 66 N GLN A 7 -8.936 -12.695 -4.246 1.00 0.00 N ATOM 67 CA GLN A 7 -9.431 -13.072 -2.929 1.00 0.00 C ATOM 68 C GLN A 7 -9.000 -12.090 -1.838 1.00 0.00 C ATOM 69 O GLN A 7 -9.715 -11.933 -0.848 1.00 0.00 O ATOM 70 CB GLN A 7 -8.929 -14.486 -2.607 1.00 0.00 C ATOM 71 CG GLN A 7 -7.405 -14.565 -2.414 1.00 0.00 C ATOM 72 CD GLN A 7 -6.933 -16.006 -2.373 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.149 -16.735 -1.409 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.332 -16.478 -3.450 1.00 0.00 N ATOM 0 H GLN A 7 -8.355 -13.414 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.521 -13.048 -2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.421 -14.841 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.221 -15.159 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.905 -14.038 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.126 -14.061 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.157 -15.865 -4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.043 -17.456 -3.486 1.00 0.00 H new ATOM 83 N TYR A 8 -7.835 -11.460 -2.007 1.00 0.00 N ATOM 84 CA TYR A 8 -7.263 -10.544 -1.036 1.00 0.00 C ATOM 85 C TYR A 8 -7.649 -9.099 -1.372 1.00 0.00 C ATOM 86 O TYR A 8 -7.222 -8.203 -0.648 1.00 0.00 O ATOM 87 CB TYR A 8 -5.728 -10.691 -0.999 1.00 0.00 C ATOM 88 CG TYR A 8 -5.165 -12.102 -0.963 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.233 -12.876 0.206 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.528 -12.627 -2.101 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.666 -14.165 0.242 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.972 -13.916 -2.078 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.033 -14.697 -0.901 1.00 0.00 C ATOM 94 OH TYR A 8 -3.502 -15.955 -0.894 1.00 0.00 O ATOM 0 H TYR A 8 -7.258 -11.579 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.661 -10.791 -0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.319 -10.187 -1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.359 -10.158 -0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.723 -12.481 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.466 -12.033 -3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.716 -14.749 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.496 -14.312 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.137 -16.161 -1.780 1.00 0.00 H new ATOM 104 N ALA A 9 -8.350 -8.834 -2.490 1.00 0.00 N ATOM 105 CA ALA A 9 -8.672 -7.476 -2.910 1.00 0.00 C ATOM 106 C ALA A 9 -9.786 -6.886 -2.040 1.00 0.00 C ATOM 107 O ALA A 9 -10.971 -6.962 -2.394 1.00 0.00 O ATOM 108 CB ALA A 9 -9.034 -7.456 -4.400 1.00 0.00 C ATOM 0 H ALA A 9 -8.703 -9.557 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.794 -6.845 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.273 -6.436 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.189 -7.820 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.898 -8.098 -4.573 1.00 0.00 H new ATOM 114 N LEU A 10 -9.399 -6.239 -0.945 1.00 0.00 N ATOM 115 CA LEU A 10 -10.285 -5.609 0.018 1.00 0.00 C ATOM 116 C LEU A 10 -10.826 -4.344 -0.629 1.00 0.00 C ATOM 117 O LEU A 10 -10.044 -3.573 -1.193 1.00 0.00 O ATOM 118 CB LEU A 10 -9.505 -5.230 1.289 1.00 0.00 C ATOM 119 CG LEU A 10 -8.980 -6.415 2.122 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.976 -5.900 3.158 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.124 -7.130 2.843 1.00 0.00 C ATOM 0 H LEU A 10 -8.415 -6.137 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.089 -6.290 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.658 -4.606 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.150 -4.621 1.922 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.499 -7.124 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.602 -6.736 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.143 -5.415 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.467 -5.182 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.725 -7.962 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.627 -6.430 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.836 -7.508 2.110 1.00 0.00 H new ATOM 133 N LYS A 11 -12.130 -4.083 -0.545 1.00 0.00 N ATOM 134 CA LYS A 11 -12.678 -2.824 -1.058 1.00 0.00 C ATOM 135 C LYS A 11 -12.621 -1.709 -0.013 1.00 0.00 C ATOM 136 O LYS A 11 -12.686 -0.532 -0.375 1.00 0.00 O ATOM 137 CB LYS A 11 -14.125 -3.014 -1.536 1.00 0.00 C ATOM 138 CG LYS A 11 -14.168 -3.843 -2.825 1.00 0.00 C ATOM 139 CD LYS A 11 -15.594 -4.012 -3.370 1.00 0.00 C ATOM 140 CE LYS A 11 -15.535 -4.245 -4.886 1.00 0.00 C ATOM 141 NZ LYS A 11 -15.372 -2.982 -5.633 1.00 0.00 N ATOM 0 H LYS A 11 -12.818 -4.714 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.057 -2.527 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.707 -3.510 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.587 -2.042 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.548 -3.363 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.736 -4.826 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.085 -4.853 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.187 -3.124 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.706 -4.913 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.448 -4.744 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.337 -3.184 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.176 -2.354 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.488 -2.518 -5.341 1.00 0.00 H new ATOM 155 N GLU A 12 -12.505 -2.075 1.258 1.00 0.00 N ATOM 156 CA GLU A 12 -12.449 -1.180 2.402 1.00 0.00 C ATOM 157 C GLU A 12 -11.698 -1.877 3.536 1.00 0.00 C ATOM 158 O GLU A 12 -11.546 -3.103 3.507 1.00 0.00 O ATOM 159 CB GLU A 12 -13.879 -0.786 2.810 1.00 0.00 C ATOM 160 CG GLU A 12 -14.793 -1.985 3.119 1.00 0.00 C ATOM 161 CD GLU A 12 -16.251 -1.672 2.797 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.689 -1.865 1.638 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.966 -1.174 3.696 1.00 0.00 O ATOM 0 H GLU A 12 -12.444 -3.056 1.530 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.913 -0.263 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.831 -0.142 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.326 -0.198 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.469 -2.850 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.701 -2.253 4.172 1.00 0.00 H new ATOM 170 N PHE A 13 -11.215 -1.103 4.507 1.00 0.00 N ATOM 171 CA PHE A 13 -10.571 -1.567 5.734 1.00 0.00 C ATOM 172 C PHE A 13 -10.645 -0.451 6.778 1.00 0.00 C ATOM 173 O PHE A 13 -11.059 0.667 6.460 1.00 0.00 O ATOM 174 CB PHE A 13 -9.107 -2.020 5.498 1.00 0.00 C ATOM 175 CG PHE A 13 -8.068 -0.982 5.071 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.229 -0.240 3.882 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.889 -0.803 5.830 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.250 0.682 3.476 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.889 0.097 5.403 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.085 0.854 4.237 1.00 0.00 C ATOM 0 H PHE A 13 -11.265 -0.085 4.456 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.102 -2.448 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.752 -2.480 6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.123 -2.801 4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.113 -0.382 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.752 -1.360 6.745 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.395 1.260 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.977 0.203 5.971 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.338 1.569 3.926 1.00 0.00 H new ATOM 190 N THR A 14 -10.188 -0.738 7.995 1.00 0.00 N ATOM 191 CA THR A 14 -9.977 0.272 9.026 1.00 0.00 C ATOM 192 C THR A 14 -8.580 0.047 9.575 1.00 0.00 C ATOM 193 O THR A 14 -8.271 -1.043 10.061 1.00 0.00 O ATOM 194 CB THR A 14 -11.021 0.190 10.152 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.337 0.102 9.639 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.953 1.391 11.108 1.00 0.00 C ATOM 0 H THR A 14 -9.953 -1.684 8.294 1.00 0.00 H new ATOM 0 HA THR A 14 -10.085 1.267 8.595 1.00 0.00 H new ATOM 0 HB THR A 14 -10.778 -0.717 10.706 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.975 0.050 10.381 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.711 1.282 11.883 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.966 1.434 11.569 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.133 2.310 10.551 1.00 0.00 H new ATOM 204 N ALA A 15 -7.719 1.052 9.497 1.00 0.00 N ATOM 205 CA ALA A 15 -6.406 1.049 10.119 1.00 0.00 C ATOM 206 C ALA A 15 -6.251 2.401 10.796 1.00 0.00 C ATOM 207 O ALA A 15 -6.879 3.365 10.366 1.00 0.00 O ATOM 208 CB ALA A 15 -5.339 0.817 9.055 1.00 0.00 C ATOM 0 H ALA A 15 -7.921 1.912 8.987 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.296 0.251 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.354 0.815 9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.512 -0.143 8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.387 1.613 8.312 1.00 0.00 H new ATOM 214 N ASP A 16 -5.434 2.511 11.845 1.00 0.00 N ATOM 215 CA ASP A 16 -5.238 3.791 12.543 1.00 0.00 C ATOM 216 C ASP A 16 -6.566 4.348 13.077 1.00 0.00 C ATOM 217 O ASP A 16 -6.799 5.556 13.127 1.00 0.00 O ATOM 218 CB ASP A 16 -4.551 4.769 11.574 1.00 0.00 C ATOM 219 CG ASP A 16 -3.515 5.705 12.181 1.00 0.00 C ATOM 220 OD1 ASP A 16 -3.688 6.200 13.316 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.512 5.979 11.477 1.00 0.00 O ATOM 0 H ASP A 16 -4.897 1.735 12.232 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.602 3.643 13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.068 4.189 10.787 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.321 5.375 11.096 1.00 0.00 H new ATOM 226 N PHE A 17 -7.490 3.440 13.392 1.00 0.00 N ATOM 227 CA PHE A 17 -8.860 3.710 13.831 1.00 0.00 C ATOM 228 C PHE A 17 -9.674 4.521 12.816 1.00 0.00 C ATOM 229 O PHE A 17 -10.754 5.016 13.141 1.00 0.00 O ATOM 230 CB PHE A 17 -8.856 4.372 15.223 1.00 0.00 C ATOM 231 CG PHE A 17 -7.857 3.772 16.192 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.177 2.596 16.893 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.576 4.345 16.333 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.231 2.000 17.741 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.642 3.763 17.204 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.970 2.597 17.912 1.00 0.00 C ATOM 0 H PHE A 17 -7.292 2.441 13.345 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.367 2.748 13.904 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.641 5.434 15.107 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.855 4.294 15.653 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.154 2.150 16.778 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.314 5.230 15.772 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.471 1.085 18.261 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.669 4.214 17.330 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.253 2.158 18.589 1.00 0.00 H new ATOM 246 N THR A 18 -9.184 4.615 11.587 1.00 0.00 N ATOM 247 CA THR A 18 -9.676 5.453 10.512 1.00 0.00 C ATOM 248 C THR A 18 -10.171 4.479 9.445 1.00 0.00 C ATOM 249 O THR A 18 -9.461 3.528 9.102 1.00 0.00 O ATOM 250 CB THR A 18 -8.527 6.354 10.022 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.934 7.069 11.099 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.999 7.378 8.987 1.00 0.00 C ATOM 0 H THR A 18 -8.374 4.066 11.299 1.00 0.00 H new ATOM 0 HA THR A 18 -10.485 6.123 10.804 1.00 0.00 H new ATOM 0 HB THR A 18 -7.799 5.684 9.566 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.487 6.440 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.155 7.991 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.414 6.858 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.765 8.015 9.429 1.00 0.00 H new ATOM 260 N GLN A 19 -11.415 4.634 9.000 1.00 0.00 N ATOM 261 CA GLN A 19 -11.977 3.764 7.986 1.00 0.00 C ATOM 262 C GLN A 19 -11.587 4.294 6.611 1.00 0.00 C ATOM 263 O GLN A 19 -11.452 5.505 6.414 1.00 0.00 O ATOM 264 CB GLN A 19 -13.493 3.675 8.175 1.00 0.00 C ATOM 265 CG GLN A 19 -14.077 2.599 7.260 1.00 0.00 C ATOM 266 CD GLN A 19 -15.380 2.058 7.812 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.414 2.720 7.763 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.340 0.840 8.337 1.00 0.00 N ATOM 0 H GLN A 19 -12.051 5.359 9.331 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.582 2.752 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.724 3.443 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.952 4.639 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.245 3.015 6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.361 1.785 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.461 0.323 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.188 0.421 8.719 1.00 0.00 H new ATOM 277 N PHE A 20 -11.441 3.388 5.650 1.00 0.00 N ATOM 278 CA PHE A 20 -10.933 3.696 4.327 1.00 0.00 C ATOM 279 C PHE A 20 -11.608 2.817 3.295 1.00 0.00 C ATOM 280 O PHE A 20 -11.958 1.669 3.573 1.00 0.00 O ATOM 281 CB PHE A 20 -9.433 3.406 4.274 1.00 0.00 C ATOM 282 CG PHE A 20 -8.552 4.218 5.199 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.283 5.577 4.939 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.966 3.590 6.311 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.385 6.289 5.755 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.082 4.312 7.133 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.771 5.652 6.845 1.00 0.00 C ATOM 0 H PHE A 20 -11.678 2.404 5.775 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.131 4.747 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.282 2.350 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.091 3.565 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.768 6.073 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.193 2.558 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.168 7.325 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.638 3.832 7.993 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.063 6.189 7.459 1.00 0.00 H new ATOM 297 N HIS A 21 -11.687 3.330 2.072 1.00 0.00 N ATOM 298 CA HIS A 21 -12.267 2.659 0.924 1.00 0.00 C ATOM 299 C HIS A 21 -11.328 2.851 -0.266 1.00 0.00 C ATOM 300 O HIS A 21 -10.469 3.737 -0.251 1.00 0.00 O ATOM 301 CB HIS A 21 -13.650 3.268 0.638 1.00 0.00 C ATOM 302 CG HIS A 21 -14.538 3.392 1.855 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.480 4.395 2.799 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.503 2.504 2.251 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.371 4.103 3.760 1.00 0.00 C ATOM 306 NE2 HIS A 21 -16.039 2.973 3.454 1.00 0.00 N ATOM 0 H HIS A 21 -11.334 4.261 1.849 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.392 1.593 1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.515 4.256 0.199 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.157 2.655 -0.107 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.870 5.212 2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.796 1.605 1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.530 4.691 4.652 1.00 0.00 H new ATOM 314 N ILE A 22 -11.511 2.079 -1.339 1.00 0.00 N ATOM 315 CA ILE A 22 -10.851 2.388 -2.607 1.00 0.00 C ATOM 316 C ILE A 22 -11.309 3.788 -3.025 1.00 0.00 C ATOM 317 O ILE A 22 -12.500 3.997 -3.277 1.00 0.00 O ATOM 318 CB ILE A 22 -11.134 1.321 -3.687 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.745 -0.108 -3.254 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.424 1.679 -5.003 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.344 -0.263 -2.650 1.00 0.00 C ATOM 0 H ILE A 22 -12.102 1.248 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.768 2.374 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.214 1.324 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.476 -0.458 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.821 -0.764 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.636 0.915 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.783 2.645 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.349 1.732 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.177 -1.306 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.597 0.048 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.261 0.359 -1.758 1.00 0.00 H new ATOM 333 N GLY A 23 -10.378 4.739 -3.077 1.00 0.00 N ATOM 334 CA GLY A 23 -10.607 6.129 -3.441 1.00 0.00 C ATOM 335 C GLY A 23 -10.830 7.074 -2.256 1.00 0.00 C ATOM 336 O GLY A 23 -11.180 8.224 -2.509 1.00 0.00 O ATOM 0 H GLY A 23 -9.401 4.549 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.752 6.485 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.476 6.180 -4.097 1.00 0.00 H new ATOM 340 N ASP A 24 -10.639 6.629 -1.006 1.00 0.00 N ATOM 341 CA ASP A 24 -10.268 7.513 0.119 1.00 0.00 C ATOM 342 C ASP A 24 -8.817 7.980 -0.103 1.00 0.00 C ATOM 343 O ASP A 24 -8.189 7.592 -1.092 1.00 0.00 O ATOM 344 CB ASP A 24 -10.374 6.757 1.465 1.00 0.00 C ATOM 345 CG ASP A 24 -11.571 7.145 2.328 1.00 0.00 C ATOM 346 OD1 ASP A 24 -11.586 8.280 2.848 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.423 6.257 2.574 1.00 0.00 O ATOM 0 H ASP A 24 -10.736 5.649 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.946 8.366 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.423 5.687 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.462 6.931 2.036 1.00 0.00 H new ATOM 352 N THR A 25 -8.225 8.734 0.826 1.00 0.00 N ATOM 353 CA THR A 25 -6.835 9.156 0.840 1.00 0.00 C ATOM 354 C THR A 25 -6.173 8.706 2.157 1.00 0.00 C ATOM 355 O THR A 25 -6.865 8.471 3.151 1.00 0.00 O ATOM 356 CB THR A 25 -6.779 10.688 0.678 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.964 11.341 1.091 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.440 11.165 -0.741 1.00 0.00 C ATOM 0 H THR A 25 -8.740 9.084 1.634 1.00 0.00 H new ATOM 0 HA THR A 25 -6.288 8.698 0.016 1.00 0.00 H new ATOM 0 HB THR A 25 -5.959 10.966 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.865 12.308 0.965 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.422 12.255 -0.764 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.462 10.780 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.195 10.800 -1.438 1.00 0.00 H new ATOM 366 N VAL A 26 -4.837 8.624 2.210 1.00 0.00 N ATOM 367 CA VAL A 26 -4.094 8.248 3.421 1.00 0.00 C ATOM 368 C VAL A 26 -3.492 9.490 4.107 1.00 0.00 C ATOM 369 O VAL A 26 -3.260 10.508 3.438 1.00 0.00 O ATOM 370 CB VAL A 26 -2.993 7.214 3.091 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.572 5.998 2.369 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.814 7.747 2.268 1.00 0.00 C ATOM 0 H VAL A 26 -4.237 8.818 1.408 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.795 7.787 4.117 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.597 6.943 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.773 5.290 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.318 5.519 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.039 6.316 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.100 6.943 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.178 8.124 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.325 8.554 2.814 1.00 0.00 H new ATOM 382 N PRO A 27 -3.176 9.423 5.413 1.00 0.00 N ATOM 383 CA PRO A 27 -2.316 10.404 6.066 1.00 0.00 C ATOM 384 C PRO A 27 -0.858 10.232 5.628 1.00 0.00 C ATOM 385 O PRO A 27 -0.436 9.142 5.221 1.00 0.00 O ATOM 386 CB PRO A 27 -2.453 10.131 7.566 1.00 0.00 C ATOM 387 CG PRO A 27 -2.830 8.657 7.647 1.00 0.00 C ATOM 388 CD PRO A 27 -3.598 8.395 6.354 1.00 0.00 C ATOM 0 HA PRO A 27 -2.604 11.422 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.521 10.333 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.218 10.763 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.946 8.023 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.444 8.451 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.379 7.400 5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.674 8.442 6.524 1.00 0.00 H new ATOM 396 N ALA A 28 -0.052 11.281 5.818 1.00 0.00 N ATOM 397 CA ALA A 28 1.368 11.264 5.478 1.00 0.00 C ATOM 398 C ALA A 28 2.176 10.248 6.299 1.00 0.00 C ATOM 399 O ALA A 28 3.294 9.898 5.920 1.00 0.00 O ATOM 400 CB ALA A 28 1.960 12.672 5.589 1.00 0.00 C ATOM 0 H ALA A 28 -0.370 12.166 6.213 1.00 0.00 H new ATOM 0 HA ALA A 28 1.442 10.932 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.019 12.643 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.439 13.341 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.844 13.036 6.610 1.00 0.00 H new ATOM 406 N MET A 29 1.576 9.723 7.372 1.00 0.00 N ATOM 407 CA MET A 29 2.090 8.638 8.206 1.00 0.00 C ATOM 408 C MET A 29 2.450 7.401 7.391 1.00 0.00 C ATOM 409 O MET A 29 3.287 6.626 7.844 1.00 0.00 O ATOM 410 CB MET A 29 1.043 8.270 9.269 1.00 0.00 C ATOM 411 CG MET A 29 0.708 9.485 10.143 1.00 0.00 C ATOM 412 SD MET A 29 0.848 9.313 11.951 1.00 0.00 S ATOM 413 CE MET A 29 2.465 8.513 12.145 1.00 0.00 C ATOM 0 H MET A 29 0.671 10.063 7.697 1.00 0.00 H new ATOM 0 HA MET A 29 3.005 8.992 8.681 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.138 7.904 8.784 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.420 7.460 9.893 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.357 10.305 9.836 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.315 9.786 9.916 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.853 8.714 13.144 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.358 7.437 12.007 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.157 8.907 11.401 1.00 0.00 H new ATOM 423 N TYR A 30 1.857 7.242 6.201 1.00 0.00 N ATOM 424 CA TYR A 30 2.126 6.107 5.321 1.00 0.00 C ATOM 425 C TYR A 30 2.758 6.548 3.998 1.00 0.00 C ATOM 426 O TYR A 30 3.428 5.750 3.349 1.00 0.00 O ATOM 427 CB TYR A 30 0.824 5.323 5.116 1.00 0.00 C ATOM 428 CG TYR A 30 0.207 4.888 6.434 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.776 3.833 7.172 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.862 5.623 6.977 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.303 3.545 8.464 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.310 5.363 8.286 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.719 4.328 9.043 1.00 0.00 C ATOM 434 OH TYR A 30 -1.134 4.065 10.314 1.00 0.00 O ATOM 0 H TYR A 30 1.176 7.901 5.824 1.00 0.00 H new ATOM 0 HA TYR A 30 2.860 5.452 5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.112 5.940 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.023 4.445 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.576 3.245 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.341 6.390 6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.724 2.719 9.018 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.106 5.956 8.712 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.853 4.684 10.558 1.00 0.00 H new ATOM 444 N LEU A 31 2.620 7.823 3.612 1.00 0.00 N ATOM 445 CA LEU A 31 3.290 8.385 2.430 1.00 0.00 C ATOM 446 C LEU A 31 4.794 8.518 2.652 1.00 0.00 C ATOM 447 O LEU A 31 5.549 8.587 1.678 1.00 0.00 O ATOM 448 CB LEU A 31 2.720 9.774 2.102 1.00 0.00 C ATOM 449 CG LEU A 31 1.325 9.670 1.462 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.351 10.745 1.933 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.467 9.730 -0.057 1.00 0.00 C ATOM 0 H LEU A 31 2.039 8.496 4.111 1.00 0.00 H new ATOM 0 HA LEU A 31 3.111 7.700 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.661 10.369 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.395 10.296 1.424 1.00 0.00 H new ATOM 0 HG LEU A 31 0.901 8.717 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.611 10.607 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.218 10.668 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.748 11.729 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.482 9.657 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.932 10.674 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.089 8.902 -0.397 1.00 0.00 H new ATOM 463 N THR A 32 5.227 8.602 3.911 1.00 0.00 N ATOM 464 CA THR A 32 6.628 8.689 4.285 1.00 0.00 C ATOM 465 C THR A 32 7.372 7.462 3.711 1.00 0.00 C ATOM 466 O THR A 32 6.868 6.341 3.796 1.00 0.00 O ATOM 467 CB THR A 32 6.664 8.800 5.826 1.00 0.00 C ATOM 468 OG1 THR A 32 7.964 8.979 6.355 1.00 0.00 O ATOM 469 CG2 THR A 32 6.041 7.597 6.535 1.00 0.00 C ATOM 0 H THR A 32 4.595 8.611 4.712 1.00 0.00 H new ATOM 0 HA THR A 32 7.140 9.560 3.875 1.00 0.00 H new ATOM 0 HB THR A 32 6.069 9.692 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.914 9.043 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.100 7.740 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.997 7.500 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.582 6.692 6.259 1.00 0.00 H new ATOM 477 N PRO A 33 8.628 7.613 3.251 1.00 0.00 N ATOM 478 CA PRO A 33 9.395 6.566 2.564 1.00 0.00 C ATOM 479 C PRO A 33 9.769 5.383 3.477 1.00 0.00 C ATOM 480 O PRO A 33 10.363 4.408 3.009 1.00 0.00 O ATOM 481 CB PRO A 33 10.618 7.289 1.986 1.00 0.00 C ATOM 482 CG PRO A 33 10.813 8.493 2.899 1.00 0.00 C ATOM 483 CD PRO A 33 9.382 8.854 3.269 1.00 0.00 C ATOM 0 HA PRO A 33 8.803 6.090 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.497 6.644 1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.447 7.596 0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.410 8.245 3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.320 9.312 2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.341 9.319 4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.967 9.571 2.561 1.00 0.00 H new ATOM 491 N GLU A 34 9.451 5.460 4.769 1.00 0.00 N ATOM 492 CA GLU A 34 9.667 4.424 5.774 1.00 0.00 C ATOM 493 C GLU A 34 8.919 3.128 5.472 1.00 0.00 C ATOM 494 O GLU A 34 9.428 2.056 5.818 1.00 0.00 O ATOM 495 CB GLU A 34 9.189 4.942 7.142 1.00 0.00 C ATOM 496 CG GLU A 34 10.281 5.687 7.903 1.00 0.00 C ATOM 497 CD GLU A 34 11.448 4.758 8.229 1.00 0.00 C ATOM 498 OE1 GLU A 34 11.304 3.931 9.163 1.00 0.00 O ATOM 499 OE2 GLU A 34 12.492 4.836 7.549 1.00 0.00 O ATOM 0 H GLU A 34 9.012 6.293 5.162 1.00 0.00 H new ATOM 0 HA GLU A 34 10.734 4.202 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.336 5.605 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.841 4.102 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.636 6.528 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.871 6.100 8.825 1.00 0.00 H new ATOM 506 N TYR A 35 7.731 3.224 4.869 1.00 0.00 N ATOM 507 CA TYR A 35 6.826 2.092 4.632 1.00 0.00 C ATOM 508 C TYR A 35 6.657 1.807 3.142 1.00 0.00 C ATOM 509 O TYR A 35 5.860 0.944 2.772 1.00 0.00 O ATOM 510 CB TYR A 35 5.473 2.336 5.313 1.00 0.00 C ATOM 511 CG TYR A 35 5.608 2.698 6.776 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.807 1.702 7.751 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.610 4.053 7.143 1.00 0.00 C ATOM 514 CE1 TYR A 35 6.052 2.075 9.085 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.828 4.427 8.475 1.00 0.00 C ATOM 516 CZ TYR A 35 6.086 3.440 9.449 1.00 0.00 C ATOM 517 OH TYR A 35 6.369 3.795 10.729 1.00 0.00 O ATOM 0 H TYR A 35 7.362 4.110 4.524 1.00 0.00 H new ATOM 0 HA TYR A 35 7.276 1.204 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.949 3.137 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.858 1.441 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.772 0.658 7.476 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.442 4.812 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.215 1.315 9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.799 5.469 8.756 1.00 0.00 H new ATOM 0 HH TYR A 35 6.353 4.772 10.809 1.00 0.00 H new ATOM 527 N ASN A 36 7.408 2.529 2.307 1.00 0.00 N ATOM 528 CA ASN A 36 7.413 2.462 0.857 1.00 0.00 C ATOM 529 C ASN A 36 7.891 1.091 0.397 1.00 0.00 C ATOM 530 O ASN A 36 9.097 0.854 0.255 1.00 0.00 O ATOM 531 CB ASN A 36 8.304 3.589 0.315 1.00 0.00 C ATOM 532 CG ASN A 36 8.477 3.565 -1.193 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.847 2.810 -1.920 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.406 4.363 -1.685 1.00 0.00 N ATOM 0 H ASN A 36 8.071 3.220 2.657 1.00 0.00 H new ATOM 0 HA ASN A 36 6.404 2.598 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.877 4.549 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.285 3.521 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.607 4.356 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.923 4.987 -1.065 1.00 0.00 H new ATOM 541 N ILE A 37 6.952 0.185 0.134 1.00 0.00 N ATOM 542 CA ILE A 37 7.209 -1.055 -0.572 1.00 0.00 C ATOM 543 C ILE A 37 7.345 -0.718 -2.055 1.00 0.00 C ATOM 544 O ILE A 37 6.514 -1.029 -2.910 1.00 0.00 O ATOM 545 CB ILE A 37 6.190 -2.164 -0.256 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.077 -2.442 1.261 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.676 -3.452 -0.955 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.785 -3.180 1.589 1.00 0.00 C ATOM 0 H ILE A 37 5.977 0.299 0.413 1.00 0.00 H new ATOM 0 HA ILE A 37 8.143 -1.497 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 37 5.208 -1.845 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.931 -3.034 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.111 -1.501 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.976 -4.262 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.734 -3.283 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.662 -3.721 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.732 -3.362 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.932 -2.575 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.765 -4.132 1.058 1.00 0.00 H new ATOM 560 N LYS A 38 8.493 -0.130 -2.357 1.00 0.00 N ATOM 561 CA LYS A 38 9.048 -0.065 -3.690 1.00 0.00 C ATOM 562 C LYS A 38 9.256 -1.491 -4.215 1.00 0.00 C ATOM 563 O LYS A 38 9.033 -1.737 -5.395 1.00 0.00 O ATOM 564 CB LYS A 38 10.315 0.814 -3.643 1.00 0.00 C ATOM 565 CG LYS A 38 11.456 0.250 -2.774 1.00 0.00 C ATOM 566 CD LYS A 38 12.398 1.316 -2.198 1.00 0.00 C ATOM 567 CE LYS A 38 11.818 1.949 -0.925 1.00 0.00 C ATOM 568 NZ LYS A 38 12.675 3.028 -0.391 1.00 0.00 N ATOM 0 H LYS A 38 9.077 0.327 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 38 8.377 0.410 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.684 0.951 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.043 1.800 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.023 -0.318 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.040 -0.450 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.365 0.866 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.572 2.091 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.827 2.349 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.692 1.179 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.241 3.423 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.613 2.644 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.775 3.778 -1.105 1.00 0.00 H new ATOM 582 N GLN A 39 9.666 -2.440 -3.369 1.00 0.00 N ATOM 583 CA GLN A 39 9.965 -3.820 -3.734 1.00 0.00 C ATOM 584 C GLN A 39 8.686 -4.652 -3.903 1.00 0.00 C ATOM 585 O GLN A 39 8.293 -5.380 -2.984 1.00 0.00 O ATOM 586 CB GLN A 39 10.865 -4.394 -2.636 1.00 0.00 C ATOM 587 CG GLN A 39 12.265 -3.778 -2.692 1.00 0.00 C ATOM 588 CD GLN A 39 13.067 -4.186 -1.474 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.497 -3.339 -0.698 1.00 0.00 O ATOM 590 NE2 GLN A 39 13.247 -5.474 -1.239 1.00 0.00 N ATOM 0 H GLN A 39 9.803 -2.257 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 39 10.472 -3.853 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.419 -4.203 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.936 -5.476 -2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.777 -4.102 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.190 -2.692 -2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.884 -6.167 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.749 -5.775 -0.404 1.00 0.00 H new ATOM 599 N TRP A 40 8.027 -4.525 -5.059 1.00 0.00 N ATOM 600 CA TRP A 40 6.833 -5.302 -5.375 1.00 0.00 C ATOM 601 C TRP A 40 7.154 -6.689 -5.928 1.00 0.00 C ATOM 602 O TRP A 40 6.432 -7.621 -5.588 1.00 0.00 O ATOM 603 CB TRP A 40 5.908 -4.544 -6.335 1.00 0.00 C ATOM 604 CG TRP A 40 6.488 -3.966 -7.593 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.072 -2.752 -7.699 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.438 -4.500 -8.952 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.420 -2.512 -9.010 1.00 0.00 N ATOM 608 CE2 TRP A 40 7.028 -3.545 -9.834 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.910 -5.672 -9.536 1.00 0.00 C ATOM 610 CZ2 TRP A 40 7.089 -3.743 -11.222 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.949 -5.871 -10.929 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.527 -4.907 -11.773 1.00 0.00 C ATOM 0 H TRP A 40 8.309 -3.881 -5.798 1.00 0.00 H new ATOM 0 HA TRP A 40 6.312 -5.447 -4.429 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.105 -5.222 -6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.451 -3.727 -5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.241 -2.071 -6.878 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.907 -1.675 -9.331 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.469 -6.428 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.562 -3.010 -11.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.531 -6.772 -11.353 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.539 -5.061 -12.842 1.00 0.00 H new ATOM 623 N GLN A 41 8.199 -6.837 -6.759 1.00 0.00 N ATOM 624 CA GLN A 41 8.478 -8.058 -7.527 1.00 0.00 C ATOM 625 C GLN A 41 8.366 -9.329 -6.685 1.00 0.00 C ATOM 626 O GLN A 41 7.709 -10.289 -7.082 1.00 0.00 O ATOM 627 CB GLN A 41 9.892 -8.021 -8.140 1.00 0.00 C ATOM 628 CG GLN A 41 9.946 -7.559 -9.598 1.00 0.00 C ATOM 629 CD GLN A 41 11.068 -8.279 -10.349 1.00 0.00 C ATOM 630 OE1 GLN A 41 12.149 -7.739 -10.584 1.00 0.00 O ATOM 631 NE2 GLN A 41 10.865 -9.527 -10.736 1.00 0.00 N ATOM 0 H GLN A 41 8.884 -6.098 -6.917 1.00 0.00 H new ATOM 0 HA GLN A 41 7.720 -8.085 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.516 -7.359 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.328 -9.018 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.990 -7.757 -10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.107 -6.482 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.972 -9.981 -10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.601 -10.035 -11.226 1.00 0.00 H new ATOM 640 N GLN A 42 9.040 -9.350 -5.539 1.00 0.00 N ATOM 641 CA GLN A 42 9.171 -10.537 -4.706 1.00 0.00 C ATOM 642 C GLN A 42 7.925 -10.795 -3.851 1.00 0.00 C ATOM 643 O GLN A 42 7.982 -11.608 -2.926 1.00 0.00 O ATOM 644 CB GLN A 42 10.453 -10.437 -3.871 1.00 0.00 C ATOM 645 CG GLN A 42 11.690 -10.400 -4.769 1.00 0.00 C ATOM 646 CD GLN A 42 12.972 -10.718 -4.011 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.253 -10.141 -2.955 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.772 -11.636 -4.526 1.00 0.00 N ATOM 0 H GLN A 42 9.516 -8.532 -5.159 1.00 0.00 H new ATOM 0 HA GLN A 42 9.253 -11.409 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.420 -9.539 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.517 -11.288 -3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.566 -11.115 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.776 -9.413 -5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.521 -12.100 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.641 -11.880 -4.050 1.00 0.00 H new ATOM 657 N ARG A 43 6.805 -10.122 -4.124 1.00 0.00 N ATOM 658 CA ARG A 43 5.490 -10.540 -3.669 1.00 0.00 C ATOM 659 C ARG A 43 4.626 -10.800 -4.893 1.00 0.00 C ATOM 660 O ARG A 43 4.900 -10.311 -5.985 1.00 0.00 O ATOM 661 CB ARG A 43 4.861 -9.487 -2.747 1.00 0.00 C ATOM 662 CG ARG A 43 5.548 -9.390 -1.377 1.00 0.00 C ATOM 663 CD ARG A 43 6.561 -8.246 -1.256 1.00 0.00 C ATOM 664 NE ARG A 43 6.668 -7.816 0.150 1.00 0.00 N ATOM 665 CZ ARG A 43 7.471 -6.864 0.632 1.00 0.00 C ATOM 666 NH1 ARG A 43 8.358 -6.261 -0.155 1.00 0.00 N ATOM 667 NH2 ARG A 43 7.403 -6.515 1.913 1.00 0.00 N ATOM 0 H ARG A 43 6.792 -9.263 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 43 5.573 -11.454 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.903 -8.514 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.807 -9.725 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.784 -9.266 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.056 -10.332 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.535 -8.571 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.251 -7.407 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 43 6.068 -8.294 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.430 -6.524 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.966 -5.535 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.736 -6.975 2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.018 -5.787 2.277 1.00 0.00 H new ATOM 681 N ASN A 44 3.530 -11.525 -4.699 1.00 0.00 N ATOM 682 CA ASN A 44 2.606 -11.927 -5.762 1.00 0.00 C ATOM 683 C ASN A 44 1.835 -10.744 -6.360 1.00 0.00 C ATOM 684 O ASN A 44 1.094 -10.907 -7.333 1.00 0.00 O ATOM 685 CB ASN A 44 1.611 -12.953 -5.204 1.00 0.00 C ATOM 686 CG ASN A 44 2.327 -14.131 -4.566 1.00 0.00 C ATOM 687 OD1 ASN A 44 2.811 -14.022 -3.449 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.444 -15.251 -5.241 1.00 0.00 N ATOM 0 H ASN A 44 3.249 -11.859 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 44 3.203 -12.360 -6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.968 -12.474 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.965 -13.309 -6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.943 -16.042 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.036 -15.330 -6.172 1.00 0.00 H new ATOM 695 N LEU A 45 1.983 -9.554 -5.779 1.00 0.00 N ATOM 696 CA LEU A 45 1.265 -8.340 -6.129 1.00 0.00 C ATOM 697 C LEU A 45 1.593 -7.863 -7.553 1.00 0.00 C ATOM 698 O LEU A 45 2.647 -8.206 -8.097 1.00 0.00 O ATOM 699 CB LEU A 45 1.634 -7.246 -5.116 1.00 0.00 C ATOM 700 CG LEU A 45 0.946 -7.441 -3.754 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.741 -6.769 -2.639 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.469 -6.862 -3.770 1.00 0.00 C ATOM 0 H LEU A 45 2.641 -9.409 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 45 0.196 -8.551 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.715 -7.237 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.358 -6.273 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 45 0.897 -8.514 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.233 -6.922 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.740 -7.203 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.819 -5.701 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.935 -7.012 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.423 -5.795 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.059 -7.365 -4.536 1.00 0.00 H new ATOM 714 N PRO A 46 0.720 -7.033 -8.143 1.00 0.00 N ATOM 715 CA PRO A 46 0.961 -6.367 -9.421 1.00 0.00 C ATOM 716 C PRO A 46 1.996 -5.241 -9.238 1.00 0.00 C ATOM 717 O PRO A 46 2.391 -4.881 -8.117 1.00 0.00 O ATOM 718 CB PRO A 46 -0.403 -5.784 -9.848 1.00 0.00 C ATOM 719 CG PRO A 46 -1.060 -5.560 -8.521 1.00 0.00 C ATOM 720 CD PRO A 46 -0.567 -6.638 -7.598 1.00 0.00 C ATOM 0 HA PRO A 46 1.356 -7.051 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.295 -4.859 -10.414 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.967 -6.476 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.811 -4.574 -8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.145 -5.601 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.468 -6.270 -6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.259 -7.480 -7.568 1.00 0.00 H new ATOM 728 N ALA A 47 2.376 -4.626 -10.360 1.00 0.00 N ATOM 729 CA ALA A 47 3.110 -3.368 -10.388 1.00 0.00 C ATOM 730 C ALA A 47 2.294 -2.251 -9.705 1.00 0.00 C ATOM 731 O ALA A 47 1.068 -2.355 -9.602 1.00 0.00 O ATOM 732 CB ALA A 47 3.392 -3.006 -11.853 1.00 0.00 C ATOM 0 H ALA A 47 2.177 -4.998 -11.289 1.00 0.00 H new ATOM 0 HA ALA A 47 4.048 -3.474 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.942 -2.066 -11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.986 -3.795 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.449 -2.900 -12.390 1.00 0.00 H new ATOM 738 N PRO A 48 2.930 -1.159 -9.249 1.00 0.00 N ATOM 739 CA PRO A 48 2.223 0.065 -8.885 1.00 0.00 C ATOM 740 C PRO A 48 1.671 0.763 -10.140 1.00 0.00 C ATOM 741 O PRO A 48 2.059 0.441 -11.267 1.00 0.00 O ATOM 742 CB PRO A 48 3.272 0.924 -8.172 1.00 0.00 C ATOM 743 CG PRO A 48 4.575 0.515 -8.854 1.00 0.00 C ATOM 744 CD PRO A 48 4.368 -0.973 -9.128 1.00 0.00 C ATOM 0 HA PRO A 48 1.360 -0.122 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.071 1.989 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.297 0.723 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.742 1.075 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.439 0.691 -8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.880 -1.277 -10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.774 -1.580 -8.318 1.00 0.00 H new ATOM 752 N ASP A 49 0.799 1.756 -9.954 1.00 0.00 N ATOM 753 CA ASP A 49 0.486 2.704 -11.020 1.00 0.00 C ATOM 754 C ASP A 49 1.618 3.721 -11.119 1.00 0.00 C ATOM 755 O ASP A 49 2.417 3.886 -10.193 1.00 0.00 O ATOM 756 CB ASP A 49 -0.877 3.401 -10.835 1.00 0.00 C ATOM 757 CG ASP A 49 -2.076 2.483 -11.077 1.00 0.00 C ATOM 758 OD1 ASP A 49 -1.998 1.620 -11.986 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.115 2.667 -10.409 1.00 0.00 O ATOM 0 H ASP A 49 0.301 1.922 -9.080 1.00 0.00 H new ATOM 0 HA ASP A 49 0.400 2.146 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.936 3.801 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.937 4.249 -11.517 1.00 0.00 H new ATOM 764 N ALA A 50 1.698 4.408 -12.254 1.00 0.00 N ATOM 765 CA ALA A 50 2.734 5.386 -12.527 1.00 0.00 C ATOM 766 C ALA A 50 2.579 6.584 -11.583 1.00 0.00 C ATOM 767 O ALA A 50 1.597 7.318 -11.683 1.00 0.00 O ATOM 768 CB ALA A 50 2.618 5.787 -13.995 1.00 0.00 C ATOM 0 H ALA A 50 1.033 4.296 -13.019 1.00 0.00 H new ATOM 0 HA ALA A 50 3.727 4.974 -12.351 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.385 6.524 -14.233 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.752 4.907 -14.624 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.633 6.217 -14.178 1.00 0.00 H new ATOM 774 N GLY A 51 3.525 6.787 -10.661 1.00 0.00 N ATOM 775 CA GLY A 51 3.442 7.854 -9.665 1.00 0.00 C ATOM 776 C GLY A 51 2.740 7.403 -8.386 1.00 0.00 C ATOM 777 O GLY A 51 2.206 8.234 -7.649 1.00 0.00 O ATOM 0 H GLY A 51 4.367 6.216 -10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.447 8.200 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.907 8.703 -10.090 1.00 0.00 H new ATOM 781 N SER A 52 2.731 6.100 -8.106 1.00 0.00 N ATOM 782 CA SER A 52 2.220 5.545 -6.867 1.00 0.00 C ATOM 783 C SER A 52 3.191 4.490 -6.350 1.00 0.00 C ATOM 784 O SER A 52 4.079 4.055 -7.089 1.00 0.00 O ATOM 785 CB SER A 52 0.813 4.992 -7.122 1.00 0.00 C ATOM 786 OG SER A 52 0.842 3.912 -8.023 1.00 0.00 O ATOM 0 H SER A 52 3.087 5.393 -8.750 1.00 0.00 H new ATOM 0 HA SER A 52 2.139 6.307 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.371 4.670 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.176 5.782 -7.519 1.00 0.00 H new ATOM 0 HG SER A 52 1.641 3.978 -8.587 1.00 0.00 H new ATOM 792 N HIS A 53 3.020 4.053 -5.105 1.00 0.00 N ATOM 793 CA HIS A 53 3.794 2.960 -4.543 1.00 0.00 C ATOM 794 C HIS A 53 2.985 2.226 -3.484 1.00 0.00 C ATOM 795 O HIS A 53 2.005 2.747 -2.948 1.00 0.00 O ATOM 796 CB HIS A 53 5.123 3.491 -4.009 1.00 0.00 C ATOM 797 CG HIS A 53 5.011 4.558 -2.944 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.069 5.925 -3.127 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.861 4.332 -1.604 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.939 6.501 -1.920 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.811 5.572 -0.961 1.00 0.00 N ATOM 0 H HIS A 53 2.338 4.451 -4.459 1.00 0.00 H new ATOM 0 HA HIS A 53 4.024 2.231 -5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.693 2.655 -3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.697 3.893 -4.844 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.189 6.410 -4.017 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.793 3.366 -1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.938 7.567 -1.746 1.00 0.00 H new ATOM 809 N TRP A 54 3.364 0.977 -3.234 1.00 0.00 N ATOM 810 CA TRP A 54 2.694 0.128 -2.269 1.00 0.00 C ATOM 811 C TRP A 54 3.241 0.457 -0.892 1.00 0.00 C ATOM 812 O TRP A 54 4.408 0.823 -0.763 1.00 0.00 O ATOM 813 CB TRP A 54 2.920 -1.335 -2.650 1.00 0.00 C ATOM 814 CG TRP A 54 2.221 -1.720 -3.915 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.727 -1.661 -5.170 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.837 -2.146 -4.057 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.759 -2.060 -6.075 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.571 -2.336 -5.441 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.228 -2.359 -3.159 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.689 -2.702 -5.915 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.512 -2.698 -3.622 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.752 -2.845 -4.999 1.00 0.00 C ATOM 0 H TRP A 54 4.151 0.527 -3.701 1.00 0.00 H new ATOM 0 HA TRP A 54 1.618 0.299 -2.260 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.989 -1.515 -2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.572 -1.975 -1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.730 -1.351 -5.425 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.908 -2.139 -7.081 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.055 -2.260 -2.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.848 -2.874 -6.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.317 -2.846 -2.917 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.747 -3.067 -5.355 1.00 0.00 H new ATOM 833 N THR A 55 2.419 0.313 0.141 1.00 0.00 N ATOM 834 CA THR A 55 2.797 0.629 1.505 1.00 0.00 C ATOM 835 C THR A 55 2.233 -0.415 2.453 1.00 0.00 C ATOM 836 O THR A 55 1.243 -1.078 2.130 1.00 0.00 O ATOM 837 CB THR A 55 2.345 2.052 1.867 1.00 0.00 C ATOM 838 OG1 THR A 55 0.970 2.242 1.618 1.00 0.00 O ATOM 839 CG2 THR A 55 3.106 3.087 1.057 1.00 0.00 C ATOM 0 H THR A 55 1.463 -0.030 0.050 1.00 0.00 H new ATOM 0 HA THR A 55 3.883 0.604 1.600 1.00 0.00 H new ATOM 0 HB THR A 55 2.547 2.176 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.707 1.729 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.767 4.086 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.173 2.997 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.925 2.923 -0.005 1.00 0.00 H new ATOM 847 N TYR A 56 2.876 -0.565 3.610 1.00 0.00 N ATOM 848 CA TYR A 56 2.505 -1.532 4.626 1.00 0.00 C ATOM 849 C TYR A 56 1.651 -0.821 5.673 1.00 0.00 C ATOM 850 O TYR A 56 2.167 -0.295 6.661 1.00 0.00 O ATOM 851 CB TYR A 56 3.786 -2.161 5.198 1.00 0.00 C ATOM 852 CG TYR A 56 3.597 -3.445 5.982 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.750 -4.460 5.498 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.312 -3.648 7.176 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.579 -5.650 6.226 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.175 -4.854 7.885 1.00 0.00 C ATOM 857 CZ TYR A 56 3.302 -5.859 7.418 1.00 0.00 C ATOM 858 OH TYR A 56 3.144 -6.998 8.142 1.00 0.00 O ATOM 0 H TYR A 56 3.687 -0.002 3.867 1.00 0.00 H new ATOM 0 HA TYR A 56 1.907 -2.349 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.471 -2.358 4.373 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.269 -1.430 5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.229 -4.323 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.968 -2.875 7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.893 -6.405 5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.741 -5.012 8.791 1.00 0.00 H new ATOM 0 HH TYR A 56 3.724 -6.967 8.931 1.00 0.00 H new ATOM 868 N MET A 57 0.348 -0.731 5.421 1.00 0.00 N ATOM 869 CA MET A 57 -0.607 0.033 6.186 1.00 0.00 C ATOM 870 C MET A 57 -1.384 -0.951 7.052 1.00 0.00 C ATOM 871 O MET A 57 -2.281 -1.647 6.573 1.00 0.00 O ATOM 872 CB MET A 57 -1.495 0.742 5.167 1.00 0.00 C ATOM 873 CG MET A 57 -2.417 1.829 5.683 1.00 0.00 C ATOM 874 SD MET A 57 -2.644 2.003 7.465 1.00 0.00 S ATOM 875 CE MET A 57 -3.761 3.426 7.425 1.00 0.00 C ATOM 0 H MET A 57 -0.083 -1.218 4.635 1.00 0.00 H new ATOM 0 HA MET A 57 -0.158 0.776 6.844 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.850 1.181 4.405 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.107 -0.012 4.671 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.049 2.782 5.303 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.399 1.667 5.239 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.933 3.782 8.441 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.313 4.223 6.832 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.710 3.131 6.978 1.00 0.00 H new ATOM 885 N GLY A 58 -1.003 -1.077 8.320 1.00 0.00 N ATOM 886 CA GLY A 58 -1.766 -1.877 9.259 1.00 0.00 C ATOM 887 C GLY A 58 -1.624 -3.382 9.056 1.00 0.00 C ATOM 888 O GLY A 58 -2.390 -4.121 9.675 1.00 0.00 O ATOM 0 H GLY A 58 -0.173 -0.635 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.451 -1.627 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.819 -1.608 9.177 1.00 0.00 H new ATOM 892 N GLY A 59 -0.685 -3.850 8.226 1.00 0.00 N ATOM 893 CA GLY A 59 -0.614 -5.242 7.818 1.00 0.00 C ATOM 894 C GLY A 59 -1.277 -5.482 6.466 1.00 0.00 C ATOM 895 O GLY A 59 -1.314 -6.629 6.018 1.00 0.00 O ATOM 0 H GLY A 59 0.046 -3.265 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.430 -5.551 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.095 -5.865 8.572 1.00 0.00 H new ATOM 899 N ASN A 60 -1.782 -4.443 5.797 1.00 0.00 N ATOM 900 CA ASN A 60 -2.411 -4.540 4.485 1.00 0.00 C ATOM 901 C ASN A 60 -1.531 -3.795 3.486 1.00 0.00 C ATOM 902 O ASN A 60 -0.871 -2.812 3.837 1.00 0.00 O ATOM 903 CB ASN A 60 -3.842 -3.983 4.534 1.00 0.00 C ATOM 904 CG ASN A 60 -4.641 -4.601 5.680 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.853 -5.812 5.718 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.019 -3.794 6.661 1.00 0.00 N ATOM 0 H ASN A 60 -1.763 -3.491 6.164 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.498 -5.580 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.809 -2.900 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.345 -4.184 3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.500 -4.173 7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.829 -2.794 6.600 1.00 0.00 H new ATOM 913 N TYR A 61 -1.519 -4.256 2.238 1.00 0.00 N ATOM 914 CA TYR A 61 -0.685 -3.717 1.179 1.00 0.00 C ATOM 915 C TYR A 61 -1.524 -2.719 0.399 1.00 0.00 C ATOM 916 O TYR A 61 -2.439 -3.124 -0.322 1.00 0.00 O ATOM 917 CB TYR A 61 -0.190 -4.842 0.261 1.00 0.00 C ATOM 918 CG TYR A 61 0.838 -5.762 0.886 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.065 -5.241 1.334 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.577 -7.136 1.025 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.037 -6.094 1.885 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.562 -7.998 1.540 1.00 0.00 C ATOM 923 CZ TYR A 61 2.805 -7.481 1.960 1.00 0.00 C ATOM 924 OH TYR A 61 3.782 -8.303 2.423 1.00 0.00 O ATOM 0 H TYR A 61 -2.105 -5.033 1.933 1.00 0.00 H new ATOM 0 HA TYR A 61 0.194 -3.227 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.046 -5.438 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.238 -4.398 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.261 -4.182 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.385 -7.532 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.966 -5.684 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.366 -9.058 1.614 1.00 0.00 H new ATOM 0 HH TYR A 61 4.337 -7.820 3.070 1.00 0.00 H new ATOM 934 N VAL A 62 -1.244 -1.422 0.523 1.00 0.00 N ATOM 935 CA VAL A 62 -2.136 -0.394 0.000 1.00 0.00 C ATOM 936 C VAL A 62 -1.331 0.475 -0.972 1.00 0.00 C ATOM 937 O VAL A 62 -0.194 0.856 -0.683 1.00 0.00 O ATOM 938 CB VAL A 62 -2.848 0.332 1.165 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.374 -0.643 2.228 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.990 1.385 1.853 1.00 0.00 C ATOM 0 H VAL A 62 -0.407 -1.061 0.981 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.963 -0.799 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.685 0.839 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.865 -0.083 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.089 -1.328 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.542 -1.211 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.560 1.849 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.097 0.915 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.698 2.146 1.129 1.00 0.00 H new ATOM 950 N LEU A 63 -1.867 0.698 -2.171 1.00 0.00 N ATOM 951 CA LEU A 63 -1.218 1.423 -3.261 1.00 0.00 C ATOM 952 C LEU A 63 -1.652 2.878 -3.188 1.00 0.00 C ATOM 953 O LEU A 63 -2.850 3.150 -3.295 1.00 0.00 O ATOM 954 CB LEU A 63 -1.625 0.808 -4.607 1.00 0.00 C ATOM 955 CG LEU A 63 -0.980 1.486 -5.828 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.556 1.503 -5.776 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.476 0.769 -7.093 1.00 0.00 C ATOM 0 H LEU A 63 -2.799 0.366 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.134 1.357 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.357 -0.248 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.709 0.861 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.281 2.534 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.945 1.995 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.884 2.046 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.930 0.480 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.031 1.234 -7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.188 -0.281 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.562 0.845 -7.152 1.00 0.00 H new ATOM 969 N ILE A 64 -0.716 3.798 -2.984 1.00 0.00 N ATOM 970 CA ILE A 64 -1.001 5.207 -2.743 1.00 0.00 C ATOM 971 C ILE A 64 -0.299 6.062 -3.789 1.00 0.00 C ATOM 972 O ILE A 64 0.837 5.766 -4.161 1.00 0.00 O ATOM 973 CB ILE A 64 -0.596 5.588 -1.305 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.881 5.284 -0.980 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.523 4.878 -0.309 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.349 6.038 0.260 1.00 0.00 C ATOM 0 H ILE A 64 0.281 3.581 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.071 5.391 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.704 6.669 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.007 4.213 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.505 5.558 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.238 5.146 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.554 5.184 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.437 3.799 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.394 5.799 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.247 7.110 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.741 5.744 1.116 1.00 0.00 H new ATOM 988 N THR A 65 -0.956 7.115 -4.276 1.00 0.00 N ATOM 989 CA THR A 65 -0.318 8.094 -5.145 1.00 0.00 C ATOM 990 C THR A 65 0.721 8.854 -4.326 1.00 0.00 C ATOM 991 O THR A 65 0.429 9.297 -3.221 1.00 0.00 O ATOM 992 CB THR A 65 -1.362 9.059 -5.745 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.626 8.972 -5.108 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.593 8.772 -7.220 1.00 0.00 C ATOM 0 H THR A 65 -1.938 7.309 -4.079 1.00 0.00 H new ATOM 0 HA THR A 65 0.168 7.588 -5.979 1.00 0.00 H new ATOM 0 HB THR A 65 -0.945 10.055 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.316 9.342 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.333 9.468 -7.614 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.657 8.891 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.955 7.751 -7.340 1.00 0.00 H new ATOM 1002 N ASP A 66 1.909 9.082 -4.872 1.00 0.00 N ATOM 1003 CA ASP A 66 2.979 9.812 -4.186 1.00 0.00 C ATOM 1004 C ASP A 66 2.629 11.294 -3.958 1.00 0.00 C ATOM 1005 O ASP A 66 3.285 11.996 -3.187 1.00 0.00 O ATOM 1006 CB ASP A 66 4.269 9.694 -5.014 1.00 0.00 C ATOM 1007 CG ASP A 66 5.415 9.122 -4.192 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.764 9.689 -3.131 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.026 8.123 -4.629 1.00 0.00 O ATOM 0 H ASP A 66 2.163 8.766 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 66 3.115 9.367 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.089 9.057 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.549 10.677 -5.394 1.00 0.00 H new ATOM 1014 N THR A 67 1.578 11.783 -4.618 1.00 0.00 N ATOM 1015 CA THR A 67 1.277 13.188 -4.853 1.00 0.00 C ATOM 1016 C THR A 67 -0.203 13.465 -4.503 1.00 0.00 C ATOM 1017 O THR A 67 -0.823 14.416 -4.987 1.00 0.00 O ATOM 1018 CB THR A 67 1.724 13.517 -6.292 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.543 14.890 -6.554 1.00 0.00 O ATOM 1020 CG2 THR A 67 1.030 12.639 -7.342 1.00 0.00 C ATOM 0 H THR A 67 0.874 11.168 -5.026 1.00 0.00 H new ATOM 0 HA THR A 67 1.826 13.870 -4.204 1.00 0.00 H new ATOM 0 HB THR A 67 2.787 13.287 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.661 15.171 -6.231 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.382 12.914 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.263 11.591 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.048 12.787 -7.285 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.819 12.579 -3.708 1.00 0.00 N ATOM 1029 CA GLU A 68 -2.211 12.675 -3.269 1.00 0.00 C ATOM 1030 C GLU A 68 -2.493 11.633 -2.187 1.00 0.00 C ATOM 1031 O GLU A 68 -3.181 11.896 -1.207 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.125 12.435 -4.483 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.596 12.686 -4.202 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.285 13.149 -5.488 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.761 12.307 -6.284 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.219 14.370 -5.780 1.00 0.00 O ATOM 0 H GLU A 68 -0.345 11.752 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.400 13.664 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.805 13.082 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.000 11.407 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.067 11.776 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.706 13.442 -3.425 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.946 10.432 -2.358 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.162 9.315 -1.468 1.00 0.00 C ATOM 1045 C GLY A 69 -3.575 8.765 -1.541 1.00 0.00 C ATOM 1046 O GLY A 69 -4.035 8.192 -0.552 1.00 0.00 O ATOM 0 H GLY A 69 -1.328 10.213 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.456 8.521 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.951 9.626 -0.445 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.270 8.918 -2.677 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.530 8.234 -2.897 1.00 0.00 C ATOM 1052 C LYS A 70 -5.262 6.742 -2.795 1.00 0.00 C ATOM 1053 O LYS A 70 -4.232 6.254 -3.263 1.00 0.00 O ATOM 1054 CB LYS A 70 -6.151 8.576 -4.259 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.304 9.594 -4.180 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.403 9.345 -5.224 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.879 9.104 -6.644 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.293 10.317 -7.246 1.00 0.00 N ATOM 0 H LYS A 70 -3.972 9.512 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.250 8.558 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.374 8.972 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.519 7.660 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.744 9.559 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.903 10.599 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.993 8.482 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.076 10.202 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.127 8.315 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.695 8.749 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.640 10.045 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.052 10.913 -7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.773 10.849 -6.519 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.198 6.032 -2.190 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.157 4.605 -1.964 1.00 0.00 C ATOM 1074 C ILE A 71 -6.553 3.957 -3.288 1.00 0.00 C ATOM 1075 O ILE A 71 -7.731 3.688 -3.534 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.039 4.265 -0.739 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.422 4.963 0.498 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.182 2.752 -0.492 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.199 4.751 1.790 1.00 0.00 C ATOM 0 H ILE A 71 -7.049 6.461 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.175 4.213 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.049 4.625 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.404 4.599 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.354 6.033 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.812 2.584 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.637 2.282 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.198 2.317 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.698 5.273 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.210 5.142 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.246 3.686 2.016 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.567 3.783 -4.172 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.788 3.334 -5.539 1.00 0.00 C ATOM 1093 C LEU A 72 -6.316 1.905 -5.546 1.00 0.00 C ATOM 1094 O LEU A 72 -7.290 1.613 -6.238 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.508 3.420 -6.393 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.778 4.777 -6.423 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.692 4.731 -7.501 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.699 5.966 -6.719 1.00 0.00 C ATOM 0 H LEU A 72 -4.586 3.953 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.528 4.001 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.808 2.667 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.765 3.151 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.364 4.930 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.169 5.687 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.983 3.936 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.150 4.537 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.115 6.886 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.168 5.829 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.470 6.029 -5.951 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.657 1.007 -4.809 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.990 -0.408 -4.660 1.00 0.00 C ATOM 1112 C LYS A 73 -5.482 -0.853 -3.293 1.00 0.00 C ATOM 1113 O LYS A 73 -4.566 -0.226 -2.753 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.301 -1.241 -5.754 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.932 -1.074 -7.148 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.129 -1.848 -8.191 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.312 -3.377 -8.187 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.609 -3.832 -8.728 1.00 0.00 N ATOM 0 H LYS A 73 -4.830 1.265 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.067 -0.552 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.249 -0.959 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.336 -2.294 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.962 -1.431 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.965 -0.018 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.397 -1.473 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.072 -1.628 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.509 -3.829 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.209 -3.742 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.655 -4.870 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.382 -3.431 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.704 -3.516 -9.714 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.007 -1.962 -2.778 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.577 -2.591 -1.539 1.00 0.00 C ATOM 1134 C VAL A 74 -5.572 -4.094 -1.793 1.00 0.00 C ATOM 1135 O VAL A 74 -6.427 -4.590 -2.533 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.546 -2.214 -0.397 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.266 -2.999 0.896 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.513 -0.706 -0.110 1.00 0.00 C ATOM 0 H VAL A 74 -6.771 -2.463 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.584 -2.257 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.543 -2.487 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.975 -2.696 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.373 -4.067 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.251 -2.791 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.206 -0.474 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.504 -0.413 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.805 -0.159 -1.006 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.652 -4.802 -1.141 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.734 -6.230 -0.907 1.00 0.00 C ATOM 1150 C TYR A 75 -4.425 -6.486 0.571 1.00 0.00 C ATOM 1151 O TYR A 75 -3.694 -5.713 1.197 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.774 -6.989 -1.829 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.149 -6.903 -3.298 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.035 -7.840 -3.860 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.667 -5.846 -4.092 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.446 -7.730 -5.197 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.085 -5.721 -5.428 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.982 -6.655 -5.985 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.397 -6.497 -7.272 1.00 0.00 O ATOM 0 H TYR A 75 -3.808 -4.380 -0.753 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.735 -6.595 -1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.767 -6.594 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.748 -8.037 -1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.404 -8.655 -3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.975 -5.130 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.114 -8.465 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.717 -4.905 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.304 -6.856 -7.370 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.949 -7.573 1.130 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.576 -8.071 2.459 1.00 0.00 C ATOM 1171 C ASP A 76 -3.081 -8.422 2.476 1.00 0.00 C ATOM 1172 O ASP A 76 -2.513 -8.750 1.434 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.439 -9.296 2.787 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.488 -9.672 4.272 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.481 -9.516 5.001 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.577 -10.078 4.729 1.00 0.00 O ATOM 0 H ASP A 76 -5.656 -8.145 0.668 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.750 -7.306 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.456 -9.109 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.062 -10.149 2.223 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.436 -8.402 3.643 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.083 -8.907 3.847 1.00 0.00 C ATOM 1183 C GLY A 77 -0.957 -10.400 3.583 1.00 0.00 C ATOM 1184 O GLY A 77 0.130 -10.853 3.233 1.00 0.00 O ATOM 0 H GLY A 77 -2.854 -8.024 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.398 -8.369 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.774 -8.698 4.871 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.061 -11.145 3.669 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.112 -12.579 3.408 1.00 0.00 C ATOM 1190 C GLU A 78 -1.462 -12.963 2.073 1.00 0.00 C ATOM 1191 O GLU A 78 -0.877 -14.044 1.963 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.581 -13.035 3.391 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.269 -13.100 4.757 1.00 0.00 C ATOM 1194 CD GLU A 78 -3.667 -14.150 5.685 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -2.822 -14.965 5.246 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -3.996 -14.114 6.888 1.00 0.00 O ATOM 0 H GLU A 78 -2.966 -10.754 3.929 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.551 -13.072 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.146 -12.357 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.631 -14.022 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.205 -12.123 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.328 -13.316 4.613 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.535 -12.079 1.073 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.973 -12.285 -0.253 1.00 0.00 C ATOM 1205 C ILE A 79 0.548 -12.507 -0.226 1.00 0.00 C ATOM 1206 O ILE A 79 1.095 -13.046 -1.183 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.382 -11.099 -1.154 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.181 -11.437 -2.642 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.609 -9.820 -0.789 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.811 -10.405 -3.583 1.00 0.00 C ATOM 0 H ILE A 79 -2.001 -11.177 1.173 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.380 -13.206 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.442 -10.915 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.114 -11.507 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.611 -12.417 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.922 -9.006 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.816 -9.553 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.460 -9.993 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.635 -10.700 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.884 -10.352 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.363 -9.428 -3.403 1.00 0.00 H new ATOM 1222 N PHE A 80 1.250 -12.114 0.840 1.00 0.00 N ATOM 1223 CA PHE A 80 2.695 -12.287 0.963 1.00 0.00 C ATOM 1224 C PHE A 80 3.088 -13.766 0.893 1.00 0.00 C ATOM 1225 O PHE A 80 4.188 -14.099 0.439 1.00 0.00 O ATOM 1226 CB PHE A 80 3.135 -11.679 2.301 1.00 0.00 C ATOM 1227 CG PHE A 80 4.625 -11.603 2.599 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.606 -11.580 1.586 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.027 -11.541 3.943 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.971 -11.508 1.923 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.387 -11.481 4.282 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.363 -11.456 3.272 1.00 0.00 C ATOM 0 H PHE A 80 0.824 -11.662 1.649 1.00 0.00 H new ATOM 0 HA PHE A 80 3.193 -11.784 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.732 -10.668 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.664 -12.253 3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.309 -11.618 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.281 -11.539 4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.718 -11.493 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.684 -11.454 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.410 -11.397 3.531 1.00 0.00 H new ATOM 1242 N TYR A 81 2.186 -14.654 1.309 1.00 0.00 N ATOM 1243 CA TYR A 81 2.439 -16.085 1.396 1.00 0.00 C ATOM 1244 C TYR A 81 1.813 -16.849 0.222 1.00 0.00 C ATOM 1245 O TYR A 81 1.981 -18.067 0.130 1.00 0.00 O ATOM 1246 CB TYR A 81 1.971 -16.578 2.768 1.00 0.00 C ATOM 1247 CG TYR A 81 2.490 -15.706 3.900 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.874 -15.628 4.145 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.610 -14.886 4.633 1.00 0.00 C ATOM 1250 CE1 TYR A 81 4.377 -14.731 5.102 1.00 0.00 C ATOM 1251 CE2 TYR A 81 2.108 -14.008 5.610 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.496 -13.931 5.856 1.00 0.00 C ATOM 1253 OH TYR A 81 4.002 -13.057 6.771 1.00 0.00 O ATOM 0 H TYR A 81 1.244 -14.391 1.599 1.00 0.00 H new ATOM 0 HA TYR A 81 3.508 -16.281 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.881 -16.594 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.308 -17.604 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.553 -16.262 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.548 -14.932 4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.443 -14.654 5.260 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.426 -13.390 6.175 1.00 0.00 H new ATOM 0 HH TYR A 81 3.267 -12.578 7.208 1.00 0.00 H new ATOM 1263 N HIS A 82 1.136 -16.137 -0.687 1.00 0.00 N ATOM 1264 CA HIS A 82 0.561 -16.671 -1.911 1.00 0.00 C ATOM 1265 C HIS A 82 1.663 -17.224 -2.831 1.00 0.00 C ATOM 1266 O HIS A 82 2.861 -17.067 -2.565 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.280 -15.561 -2.562 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.201 -16.002 -3.667 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.427 -16.589 -3.480 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.052 -15.760 -5.006 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.016 -16.688 -4.679 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.216 -16.202 -5.644 1.00 0.00 N ATOM 0 H HIS A 82 0.972 -15.136 -0.579 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.094 -17.517 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.877 -15.081 -1.787 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.396 -14.804 -2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.193 -15.310 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.999 -17.102 -4.847 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.418 -16.163 -6.643 1.00 0.00 H new ATOM 1280 N ARG A 83 1.273 -17.904 -3.915 1.00 0.00 N ATOM 1281 CA ARG A 83 2.177 -18.736 -4.701 1.00 0.00 C ATOM 1282 C ARG A 83 2.058 -18.501 -6.189 1.00 0.00 C ATOM 1283 O ARG A 83 2.945 -19.020 -6.904 1.00 0.00 O ATOM 1284 CB ARG A 83 1.965 -20.213 -4.355 1.00 0.00 C ATOM 1285 CG ARG A 83 0.583 -20.811 -4.634 1.00 0.00 C ATOM 1286 CD ARG A 83 0.739 -22.338 -4.646 1.00 0.00 C ATOM 1287 NE ARG A 83 -0.536 -23.024 -4.866 1.00 0.00 N ATOM 1288 CZ ARG A 83 -0.686 -24.280 -5.293 1.00 0.00 C ATOM 1289 NH1 ARG A 83 0.353 -25.103 -5.371 1.00 0.00 N ATOM 1290 NH2 ARG A 83 -1.891 -24.702 -5.659 1.00 0.00 N ATOM 0 H ARG A 83 0.317 -17.889 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 83 3.193 -18.447 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.702 -20.797 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.181 -20.345 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.130 -20.504 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.197 -20.457 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.442 -22.623 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.166 -22.665 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.387 -22.494 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.282 -24.778 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.222 -26.060 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.689 -24.069 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.018 -25.659 -5.987 1.00 0.00 H new