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+ -176:sc= 0.026 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0.0249 USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl -160:sc= -3.67! (180deg=-4.15!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 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 83:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.55 K(o=0.55,f=-3.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -174:sc= 0 (180deg=-0.0522) USER MOD Single : A 32 THR OG1 : rot -155:sc= 0.796 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.16) 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=-0.16) USER MOD Single : A 44 ASN : amide:sc= -0.0132 K(o=-0.013,f=-2.3!) USER MOD Single : A 52 SER OG : rot -12:sc= 0.508 USER MOD Single : A 53 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.0098) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 61 TYR OH : rot 130:sc= 0.356 USER MOD Single : A 65 THR OG1 : rot -170:sc=-0.00975 USER MOD Single : A 67 THR OG1 : rot -34:sc= 0.0793 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0185 (180deg=-0.208) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -4.911 -13.484 -6.857 1.00 0.00 N ATOM 36 CA ILE A 5 -4.828 -12.446 -5.830 1.00 0.00 C ATOM 37 C ILE A 5 -6.193 -11.926 -5.362 1.00 0.00 C ATOM 38 O ILE A 5 -6.256 -11.198 -4.373 1.00 0.00 O ATOM 39 CB ILE A 5 -3.931 -11.295 -6.338 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.584 -10.491 -7.483 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.560 -11.854 -6.762 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.722 -9.316 -7.959 1.00 0.00 C ATOM 0 HA ILE A 5 -4.382 -12.902 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.796 -10.593 -5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.776 -11.158 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.550 -10.113 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.930 -11.040 -7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.083 -12.334 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.696 -12.585 -7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.236 -8.791 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.552 -8.630 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.765 -9.691 -8.322 1.00 0.00 H new ATOM 54 N ASP A 6 -7.276 -12.276 -6.057 1.00 0.00 N ATOM 55 CA ASP A 6 -8.607 -11.685 -5.885 1.00 0.00 C ATOM 56 C ASP A 6 -9.129 -11.876 -4.472 1.00 0.00 C ATOM 57 O ASP A 6 -9.763 -10.973 -3.939 1.00 0.00 O ATOM 58 CB ASP A 6 -9.581 -12.335 -6.867 1.00 0.00 C ATOM 59 CG ASP A 6 -10.569 -11.373 -7.529 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.103 -10.484 -8.285 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.803 -11.573 -7.442 1.00 0.00 O ATOM 0 H ASP A 6 -7.252 -12.999 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.525 -10.615 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.007 -12.836 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.144 -13.105 -6.341 1.00 0.00 H new ATOM 66 N GLN A 7 -8.789 -13.009 -3.847 1.00 0.00 N ATOM 67 CA GLN A 7 -9.155 -13.336 -2.478 1.00 0.00 C ATOM 68 C GLN A 7 -8.695 -12.263 -1.485 1.00 0.00 C ATOM 69 O GLN A 7 -9.362 -12.008 -0.479 1.00 0.00 O ATOM 70 CB GLN A 7 -8.554 -14.712 -2.156 1.00 0.00 C ATOM 71 CG GLN A 7 -7.016 -14.729 -2.099 1.00 0.00 C ATOM 72 CD GLN A 7 -6.483 -16.151 -2.080 1.00 0.00 C ATOM 73 OE1 GLN A 7 -6.739 -16.905 -1.149 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.774 -16.558 -3.117 1.00 0.00 N ATOM 0 H GLN A 7 -8.237 -13.739 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.240 -13.369 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.946 -15.052 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.887 -15.427 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.612 -14.198 -2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.677 -14.199 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.572 -15.914 -3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.428 -17.517 -3.154 1.00 0.00 H new ATOM 83 N TYR A 8 -7.550 -11.641 -1.763 1.00 0.00 N ATOM 84 CA TYR A 8 -6.956 -10.637 -0.910 1.00 0.00 C ATOM 85 C TYR A 8 -7.436 -9.237 -1.303 1.00 0.00 C ATOM 86 O TYR A 8 -7.027 -8.289 -0.642 1.00 0.00 O ATOM 87 CB TYR A 8 -5.425 -10.748 -0.998 1.00 0.00 C ATOM 88 CG TYR A 8 -4.858 -12.140 -0.772 1.00 0.00 C ATOM 89 CD1 TYR A 8 -4.946 -12.744 0.494 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.235 -12.833 -1.829 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.366 -14.006 0.719 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.648 -14.092 -1.612 1.00 0.00 C ATOM 93 CZ TYR A 8 -3.676 -14.667 -0.321 1.00 0.00 C ATOM 94 OH TYR A 8 -2.990 -15.816 -0.060 1.00 0.00 O ATOM 0 H TYR A 8 -7.007 -11.831 -2.605 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.265 -10.805 0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.108 -10.401 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.986 -10.072 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.461 -12.238 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.208 -12.393 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.449 -14.471 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.177 -14.618 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.573 -16.143 -0.885 1.00 0.00 H new ATOM 104 N ALA A 9 -8.222 -9.057 -2.379 1.00 0.00 N ATOM 105 CA ALA A 9 -8.664 -7.735 -2.820 1.00 0.00 C ATOM 106 C ALA A 9 -9.690 -7.157 -1.839 1.00 0.00 C ATOM 107 O ALA A 9 -10.897 -7.365 -1.991 1.00 0.00 O ATOM 108 CB ALA A 9 -9.209 -7.802 -4.253 1.00 0.00 C ATOM 0 H ALA A 9 -8.564 -9.823 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.809 -7.059 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.534 -6.810 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.426 -8.156 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.055 -8.488 -4.289 1.00 0.00 H new ATOM 114 N LEU A 10 -9.219 -6.412 -0.842 1.00 0.00 N ATOM 115 CA LEU A 10 -10.071 -5.792 0.166 1.00 0.00 C ATOM 116 C LEU A 10 -10.669 -4.543 -0.467 1.00 0.00 C ATOM 117 O LEU A 10 -9.917 -3.733 -1.008 1.00 0.00 O ATOM 118 CB LEU A 10 -9.254 -5.416 1.414 1.00 0.00 C ATOM 119 CG LEU A 10 -8.682 -6.602 2.214 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.786 -6.070 3.336 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.788 -7.468 2.822 1.00 0.00 C ATOM 0 H LEU A 10 -8.226 -6.221 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.851 -6.483 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.428 -4.775 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.886 -4.825 2.076 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.109 -7.223 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.379 -6.906 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.968 -5.492 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.372 -5.432 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.341 -8.292 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.395 -6.863 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.417 -7.866 2.026 1.00 0.00 H new ATOM 133 N LYS A 11 -11.990 -4.359 -0.430 1.00 0.00 N ATOM 134 CA LYS A 11 -12.623 -3.144 -0.967 1.00 0.00 C ATOM 135 C LYS A 11 -12.669 -2.000 0.049 1.00 0.00 C ATOM 136 O LYS A 11 -12.924 -0.855 -0.323 1.00 0.00 O ATOM 137 CB LYS A 11 -14.025 -3.443 -1.493 1.00 0.00 C ATOM 138 CG LYS A 11 -14.981 -3.913 -0.390 1.00 0.00 C ATOM 139 CD LYS A 11 -16.269 -3.091 -0.280 1.00 0.00 C ATOM 140 CE LYS A 11 -17.136 -3.288 -1.524 1.00 0.00 C ATOM 141 NZ LYS A 11 -18.359 -2.467 -1.486 1.00 0.00 N ATOM 0 H LYS A 11 -12.646 -5.033 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.996 -2.812 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.431 -2.548 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.963 -4.209 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.243 -4.955 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.459 -3.878 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.824 -3.391 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.025 -2.035 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.557 -3.034 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.409 -4.340 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.915 -2.633 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.926 -2.726 -0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.100 -1.461 -1.429 1.00 0.00 H new ATOM 155 N GLU A 12 -12.474 -2.310 1.321 1.00 0.00 N ATOM 156 CA GLU A 12 -12.377 -1.363 2.413 1.00 0.00 C ATOM 157 C GLU A 12 -11.514 -2.013 3.485 1.00 0.00 C ATOM 158 O GLU A 12 -11.281 -3.227 3.437 1.00 0.00 O ATOM 159 CB GLU A 12 -13.779 -0.999 2.932 1.00 0.00 C ATOM 160 CG GLU A 12 -14.585 -2.188 3.476 1.00 0.00 C ATOM 161 CD GLU A 12 -16.051 -1.809 3.687 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.838 -1.802 2.715 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.428 -1.488 4.840 1.00 0.00 O ATOM 0 H GLU A 12 -12.375 -3.276 1.632 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.921 -0.426 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.678 -0.253 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.343 -0.534 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.519 -3.025 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.153 -2.523 4.419 1.00 0.00 H new ATOM 170 N PHE A 13 -11.035 -1.216 4.429 1.00 0.00 N ATOM 171 CA PHE A 13 -10.391 -1.657 5.656 1.00 0.00 C ATOM 172 C PHE A 13 -10.565 -0.545 6.688 1.00 0.00 C ATOM 173 O PHE A 13 -11.066 0.538 6.375 1.00 0.00 O ATOM 174 CB PHE A 13 -8.902 -2.028 5.453 1.00 0.00 C ATOM 175 CG PHE A 13 -7.930 -0.923 5.056 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.068 -0.239 3.831 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.817 -0.644 5.875 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.128 0.733 3.449 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.856 0.303 5.476 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.030 1.010 4.276 1.00 0.00 C ATOM 0 H PHE A 13 -11.087 -0.200 4.357 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.862 -2.577 6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.540 -2.472 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.854 -2.804 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.902 -0.464 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.701 -1.161 6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.251 1.267 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.987 0.485 6.091 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.317 1.769 3.989 1.00 0.00 H new ATOM 190 N THR A 14 -10.128 -0.813 7.910 1.00 0.00 N ATOM 191 CA THR A 14 -10.011 0.158 8.980 1.00 0.00 C ATOM 192 C THR A 14 -8.629 -0.087 9.565 1.00 0.00 C ATOM 193 O THR A 14 -8.282 -1.242 9.833 1.00 0.00 O ATOM 194 CB THR A 14 -11.129 -0.027 10.021 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.359 -0.341 9.383 1.00 0.00 O ATOM 196 CG2 THR A 14 -11.336 1.202 10.909 1.00 0.00 C ATOM 0 H THR A 14 -9.835 -1.749 8.190 1.00 0.00 H new ATOM 0 HA THR A 14 -10.121 1.185 8.631 1.00 0.00 H new ATOM 0 HB THR A 14 -10.808 -0.850 10.660 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.058 -0.457 10.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.138 1.006 11.621 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.415 1.419 11.451 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.602 2.058 10.289 1.00 0.00 H new ATOM 204 N ALA A 15 -7.821 0.960 9.686 1.00 0.00 N ATOM 205 CA ALA A 15 -6.486 0.906 10.248 1.00 0.00 C ATOM 206 C ALA A 15 -6.265 2.224 10.972 1.00 0.00 C ATOM 207 O ALA A 15 -6.660 3.273 10.467 1.00 0.00 O ATOM 208 CB ALA A 15 -5.456 0.699 9.139 1.00 0.00 C ATOM 0 H ALA A 15 -8.090 1.897 9.385 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.376 0.071 10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.457 0.660 9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.663 -0.237 8.620 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.512 1.526 8.431 1.00 0.00 H new ATOM 214 N ASP A 16 -5.679 2.164 12.166 1.00 0.00 N ATOM 215 CA ASP A 16 -5.410 3.300 13.055 1.00 0.00 C ATOM 216 C ASP A 16 -6.637 4.213 13.124 1.00 0.00 C ATOM 217 O ASP A 16 -6.644 5.375 12.700 1.00 0.00 O ATOM 218 CB ASP A 16 -4.121 4.037 12.696 1.00 0.00 C ATOM 219 CG ASP A 16 -2.842 3.243 12.963 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.904 2.006 13.158 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.751 3.854 13.032 1.00 0.00 O ATOM 0 H ASP A 16 -5.362 1.279 12.562 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.232 2.916 14.059 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.153 4.306 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.080 4.968 13.261 1.00 0.00 H new ATOM 226 N PHE A 17 -7.696 3.584 13.639 1.00 0.00 N ATOM 227 CA PHE A 17 -9.033 4.050 13.989 1.00 0.00 C ATOM 228 C PHE A 17 -9.656 4.940 12.914 1.00 0.00 C ATOM 229 O PHE A 17 -10.480 5.815 13.186 1.00 0.00 O ATOM 230 CB PHE A 17 -9.035 4.569 15.430 1.00 0.00 C ATOM 231 CG PHE A 17 -7.775 5.311 15.814 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.505 6.547 15.229 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.800 4.702 16.613 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.330 7.247 15.548 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.626 5.396 16.958 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.403 6.683 16.440 1.00 0.00 C ATOM 0 H PHE A 17 -7.618 2.589 13.849 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.736 3.217 13.992 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.891 5.230 15.567 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.171 3.727 16.109 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.206 6.970 14.524 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.950 3.693 16.967 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.140 8.215 15.109 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.901 4.942 17.617 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.521 7.237 16.727 1.00 0.00 H new ATOM 246 N THR A 18 -9.287 4.650 11.674 1.00 0.00 N ATOM 247 CA THR A 18 -9.695 5.367 10.483 1.00 0.00 C ATOM 248 C THR A 18 -10.148 4.312 9.476 1.00 0.00 C ATOM 249 O THR A 18 -9.424 3.347 9.222 1.00 0.00 O ATOM 250 CB THR A 18 -8.516 6.224 9.989 1.00 0.00 C ATOM 251 OG1 THR A 18 -8.022 7.042 11.039 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.922 7.133 8.829 1.00 0.00 C ATOM 0 H THR A 18 -8.664 3.869 11.466 1.00 0.00 H new ATOM 0 HA THR A 18 -10.520 6.058 10.657 1.00 0.00 H new ATOM 0 HB THR A 18 -7.745 5.532 9.649 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.400 6.525 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.062 7.721 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.275 6.525 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.719 7.802 9.153 1.00 0.00 H new ATOM 260 N GLN A 19 -11.375 4.441 8.974 1.00 0.00 N ATOM 261 CA GLN A 19 -11.883 3.598 7.903 1.00 0.00 C ATOM 262 C GLN A 19 -11.359 4.128 6.567 1.00 0.00 C ATOM 263 O GLN A 19 -11.026 5.311 6.460 1.00 0.00 O ATOM 264 CB GLN A 19 -13.416 3.564 7.970 1.00 0.00 C ATOM 265 CG GLN A 19 -13.993 2.590 6.940 1.00 0.00 C ATOM 266 CD GLN A 19 -15.419 2.184 7.263 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.360 2.978 7.176 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.599 0.930 7.633 1.00 0.00 N ATOM 0 H GLN A 19 -12.044 5.137 9.303 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.534 2.571 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.733 3.269 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.813 4.563 7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.964 3.051 5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.366 1.700 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.801 0.297 7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.536 0.594 7.856 1.00 0.00 H new ATOM 277 N PHE A 20 -11.310 3.267 5.551 1.00 0.00 N ATOM 278 CA PHE A 20 -10.814 3.592 4.223 1.00 0.00 C ATOM 279 C PHE A 20 -11.473 2.699 3.181 1.00 0.00 C ATOM 280 O PHE A 20 -11.858 1.565 3.479 1.00 0.00 O ATOM 281 CB PHE A 20 -9.310 3.333 4.164 1.00 0.00 C ATOM 282 CG PHE A 20 -8.460 4.153 5.109 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.171 5.505 4.835 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.960 3.552 6.277 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.330 6.234 5.695 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.139 4.291 7.145 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.792 5.619 6.839 1.00 0.00 C ATOM 0 H PHE A 20 -11.623 2.300 5.636 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.039 4.639 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.134 2.277 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.969 3.519 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.596 5.982 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.206 2.526 6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.098 7.266 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.772 3.836 8.053 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.115 6.164 7.480 1.00 0.00 H new ATOM 297 N HIS A 21 -11.509 3.180 1.939 1.00 0.00 N ATOM 298 CA HIS A 21 -12.142 2.542 0.794 1.00 0.00 C ATOM 299 C HIS A 21 -11.262 2.727 -0.442 1.00 0.00 C ATOM 300 O HIS A 21 -10.350 3.559 -0.437 1.00 0.00 O ATOM 301 CB HIS A 21 -13.508 3.199 0.566 1.00 0.00 C ATOM 302 CG HIS A 21 -14.383 3.200 1.793 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.373 4.168 2.770 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.262 2.224 2.175 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.237 3.787 3.724 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.792 2.602 3.412 1.00 0.00 N ATOM 0 H HIS A 21 -11.075 4.070 1.696 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.271 1.475 0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.358 4.227 0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.024 2.677 -0.239 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.812 5.020 2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.502 1.327 1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.456 4.353 4.617 1.00 0.00 H new ATOM 314 N ILE A 22 -11.550 2.001 -1.526 1.00 0.00 N ATOM 315 CA ILE A 22 -10.916 2.250 -2.814 1.00 0.00 C ATOM 316 C ILE A 22 -11.418 3.617 -3.279 1.00 0.00 C ATOM 317 O ILE A 22 -12.594 3.773 -3.619 1.00 0.00 O ATOM 318 CB ILE A 22 -11.210 1.138 -3.846 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.009 -0.292 -3.306 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.359 1.349 -5.108 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.652 -0.590 -2.660 1.00 0.00 C ATOM 0 H ILE A 22 -12.222 1.234 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.831 2.246 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.270 1.224 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.789 -0.493 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.157 -0.992 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.574 0.560 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.596 2.317 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.302 1.320 -4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.631 -1.625 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.859 -0.432 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.500 0.075 -1.810 1.00 0.00 H new ATOM 333 N GLY A 23 -10.533 4.606 -3.255 1.00 0.00 N ATOM 334 CA GLY A 23 -10.818 5.988 -3.612 1.00 0.00 C ATOM 335 C GLY A 23 -10.687 6.974 -2.451 1.00 0.00 C ATOM 336 O GLY A 23 -10.768 8.172 -2.716 1.00 0.00 O ATOM 0 H GLY A 23 -9.563 4.461 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.142 6.292 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.830 6.047 -4.012 1.00 0.00 H new ATOM 340 N ASP A 24 -10.475 6.516 -1.210 1.00 0.00 N ATOM 341 CA ASP A 24 -10.157 7.394 -0.070 1.00 0.00 C ATOM 342 C ASP A 24 -8.720 7.927 -0.193 1.00 0.00 C ATOM 343 O ASP A 24 -8.044 7.649 -1.185 1.00 0.00 O ATOM 344 CB ASP A 24 -10.395 6.653 1.266 1.00 0.00 C ATOM 345 CG ASP A 24 -11.711 7.024 1.950 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.042 8.232 2.033 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.364 6.115 2.510 1.00 0.00 O ATOM 0 H ASP A 24 -10.519 5.527 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.825 8.255 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.382 5.579 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.570 6.871 1.944 1.00 0.00 H new ATOM 352 N THR A 25 -8.201 8.659 0.796 1.00 0.00 N ATOM 353 CA THR A 25 -6.823 9.117 0.860 1.00 0.00 C ATOM 354 C THR A 25 -6.187 8.612 2.164 1.00 0.00 C ATOM 355 O THR A 25 -6.882 8.453 3.170 1.00 0.00 O ATOM 356 CB THR A 25 -6.809 10.655 0.777 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.045 11.275 1.087 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.373 11.157 -0.600 1.00 0.00 C ATOM 0 H THR A 25 -8.754 8.956 1.600 1.00 0.00 H new ATOM 0 HA THR A 25 -6.241 8.724 0.027 1.00 0.00 H new ATOM 0 HB THR A 25 -6.084 10.938 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.951 12.248 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.379 12.247 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.367 10.798 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.062 10.784 -1.358 1.00 0.00 H new ATOM 366 N VAL A 26 -4.870 8.380 2.189 1.00 0.00 N ATOM 367 CA VAL A 26 -4.157 8.005 3.417 1.00 0.00 C ATOM 368 C VAL A 26 -3.646 9.268 4.124 1.00 0.00 C ATOM 369 O VAL A 26 -3.473 10.303 3.467 1.00 0.00 O ATOM 370 CB VAL A 26 -2.984 7.049 3.108 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.466 5.833 2.317 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.799 7.669 2.351 1.00 0.00 C ATOM 0 H VAL A 26 -4.271 8.446 1.366 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.850 7.480 4.075 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.614 6.772 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.622 5.175 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.214 5.294 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.907 6.162 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.034 6.910 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.142 8.052 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.380 8.486 2.938 1.00 0.00 H new ATOM 382 N PRO A 27 -3.337 9.209 5.430 1.00 0.00 N ATOM 383 CA PRO A 27 -2.544 10.233 6.094 1.00 0.00 C ATOM 384 C PRO A 27 -1.071 10.153 5.690 1.00 0.00 C ATOM 385 O PRO A 27 -0.575 9.094 5.291 1.00 0.00 O ATOM 386 CB PRO A 27 -2.700 9.962 7.590 1.00 0.00 C ATOM 387 CG PRO A 27 -2.940 8.460 7.648 1.00 0.00 C ATOM 388 CD PRO A 27 -3.730 8.176 6.375 1.00 0.00 C ATOM 0 HA PRO A 27 -2.882 11.232 5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.808 10.249 8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.534 10.520 8.015 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.003 7.904 7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.500 8.177 8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.503 7.183 5.987 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.803 8.207 6.565 1.00 0.00 H new ATOM 396 N ALA A 28 -0.338 11.246 5.916 1.00 0.00 N ATOM 397 CA ALA A 28 1.084 11.344 5.605 1.00 0.00 C ATOM 398 C ALA A 28 1.939 10.363 6.420 1.00 0.00 C ATOM 399 O ALA A 28 3.110 10.175 6.094 1.00 0.00 O ATOM 400 CB ALA A 28 1.564 12.785 5.813 1.00 0.00 C ATOM 0 H ALA A 28 -0.724 12.097 6.325 1.00 0.00 H new ATOM 0 HA ALA A 28 1.209 11.066 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.627 12.852 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.005 13.453 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.402 13.076 6.851 1.00 0.00 H new ATOM 406 N MET A 29 1.373 9.706 7.440 1.00 0.00 N ATOM 407 CA MET A 29 2.052 8.673 8.218 1.00 0.00 C ATOM 408 C MET A 29 2.487 7.503 7.338 1.00 0.00 C ATOM 409 O MET A 29 3.456 6.831 7.672 1.00 0.00 O ATOM 410 CB MET A 29 1.165 8.107 9.339 1.00 0.00 C ATOM 411 CG MET A 29 0.448 9.185 10.153 1.00 0.00 C ATOM 412 SD MET A 29 0.370 8.896 11.946 1.00 0.00 S ATOM 413 CE MET A 29 -0.343 7.227 12.009 1.00 0.00 C ATOM 0 H MET A 29 0.417 9.883 7.749 1.00 0.00 H new ATOM 0 HA MET A 29 2.922 9.164 8.654 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.423 7.439 8.902 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.779 7.506 10.009 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.947 10.138 9.978 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.569 9.284 9.775 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.549 6.958 13.045 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.271 7.206 11.438 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.362 6.514 11.582 1.00 0.00 H new ATOM 423 N TYR A 30 1.797 7.274 6.213 1.00 0.00 N ATOM 424 CA TYR A 30 2.129 6.174 5.299 1.00 0.00 C ATOM 425 C TYR A 30 2.767 6.648 3.998 1.00 0.00 C ATOM 426 O TYR A 30 3.257 5.827 3.222 1.00 0.00 O ATOM 427 CB TYR A 30 0.873 5.351 5.013 1.00 0.00 C ATOM 428 CG TYR A 30 0.205 4.885 6.284 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.782 3.858 7.057 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.916 5.584 6.758 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.236 3.538 8.312 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.448 5.281 8.021 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.872 4.263 8.804 1.00 0.00 C ATOM 434 OH TYR A 30 -1.409 3.999 10.021 1.00 0.00 O ATOM 0 H TYR A 30 1.002 7.839 5.913 1.00 0.00 H new ATOM 0 HA TYR A 30 2.876 5.555 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.171 5.949 4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.136 4.487 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.641 3.318 6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.369 6.354 6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.663 2.739 8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.301 5.830 8.393 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.164 4.603 10.183 1.00 0.00 H new ATOM 444 N LEU A 31 2.759 7.960 3.742 1.00 0.00 N ATOM 445 CA LEU A 31 3.356 8.534 2.544 1.00 0.00 C ATOM 446 C LEU A 31 4.876 8.577 2.638 1.00 0.00 C ATOM 447 O LEU A 31 5.530 8.540 1.599 1.00 0.00 O ATOM 448 CB LEU A 31 2.749 9.922 2.282 1.00 0.00 C ATOM 449 CG LEU A 31 1.382 9.741 1.588 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.313 10.756 1.981 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.598 9.756 0.076 1.00 0.00 C ATOM 0 H LEU A 31 2.337 8.650 4.363 1.00 0.00 H new ATOM 0 HA LEU A 31 3.126 7.894 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.628 10.465 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.416 10.514 1.655 1.00 0.00 H new ATOM 0 HG LEU A 31 0.988 8.784 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.608 10.542 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.127 10.692 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.656 11.760 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.641 9.629 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.041 10.707 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.267 8.942 -0.204 1.00 0.00 H new ATOM 463 N THR A 32 5.435 8.603 3.849 1.00 0.00 N ATOM 464 CA THR A 32 6.870 8.477 4.089 1.00 0.00 C ATOM 465 C THR A 32 7.398 7.169 3.455 1.00 0.00 C ATOM 466 O THR A 32 6.707 6.143 3.502 1.00 0.00 O ATOM 467 CB THR A 32 7.151 8.599 5.608 1.00 0.00 C ATOM 468 OG1 THR A 32 8.485 8.296 5.965 1.00 0.00 O ATOM 469 CG2 THR A 32 6.280 7.682 6.448 1.00 0.00 C ATOM 0 H THR A 32 4.891 8.714 4.705 1.00 0.00 H new ATOM 0 HA THR A 32 7.417 9.287 3.606 1.00 0.00 H new ATOM 0 HB THR A 32 6.931 9.647 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.514 7.996 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.524 7.814 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.231 7.927 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.459 6.646 6.161 1.00 0.00 H new ATOM 477 N PRO A 33 8.638 7.151 2.927 1.00 0.00 N ATOM 478 CA PRO A 33 9.264 5.981 2.308 1.00 0.00 C ATOM 479 C PRO A 33 9.496 4.847 3.316 1.00 0.00 C ATOM 480 O PRO A 33 9.830 3.731 2.923 1.00 0.00 O ATOM 481 CB PRO A 33 10.578 6.492 1.711 1.00 0.00 C ATOM 482 CG PRO A 33 10.931 7.700 2.570 1.00 0.00 C ATOM 483 CD PRO A 33 9.562 8.271 2.916 1.00 0.00 C ATOM 0 HA PRO A 33 8.620 5.545 1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.358 5.731 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.459 6.769 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.489 7.414 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.545 8.419 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.583 8.766 3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.257 9.018 2.183 1.00 0.00 H new ATOM 491 N GLU A 34 9.313 5.086 4.613 1.00 0.00 N ATOM 492 CA GLU A 34 9.494 4.114 5.686 1.00 0.00 C ATOM 493 C GLU A 34 8.656 2.847 5.509 1.00 0.00 C ATOM 494 O GLU A 34 9.080 1.779 5.952 1.00 0.00 O ATOM 495 CB GLU A 34 9.144 4.806 7.005 1.00 0.00 C ATOM 496 CG GLU A 34 10.336 5.664 7.444 1.00 0.00 C ATOM 497 CD GLU A 34 10.004 6.542 8.639 1.00 0.00 C ATOM 498 OE1 GLU A 34 9.054 7.355 8.521 1.00 0.00 O ATOM 499 OE2 GLU A 34 10.704 6.450 9.673 1.00 0.00 O ATOM 0 H GLU A 34 9.022 6.001 4.958 1.00 0.00 H new ATOM 0 HA GLU A 34 10.531 3.780 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.257 5.427 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.910 4.065 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.175 5.015 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.655 6.292 6.612 1.00 0.00 H new ATOM 506 N TYR A 35 7.511 2.934 4.830 1.00 0.00 N ATOM 507 CA TYR A 35 6.585 1.815 4.648 1.00 0.00 C ATOM 508 C TYR A 35 6.447 1.444 3.163 1.00 0.00 C ATOM 509 O TYR A 35 5.672 0.552 2.830 1.00 0.00 O ATOM 510 CB TYR A 35 5.240 2.142 5.322 1.00 0.00 C ATOM 511 CG TYR A 35 5.375 2.652 6.751 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.582 4.025 6.968 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.340 1.778 7.856 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.761 4.535 8.261 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.528 2.280 9.161 1.00 0.00 C ATOM 516 CZ TYR A 35 5.752 3.663 9.367 1.00 0.00 C ATOM 517 OH TYR A 35 5.974 4.154 10.619 1.00 0.00 O ATOM 0 H TYR A 35 7.196 3.796 4.385 1.00 0.00 H new ATOM 0 HA TYR A 35 6.985 0.926 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.719 2.892 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.618 1.247 5.323 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.603 4.699 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.169 0.723 7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.906 5.595 8.409 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.501 1.607 10.006 1.00 0.00 H new ATOM 0 HH TYR A 35 5.933 3.422 11.269 1.00 0.00 H new ATOM 527 N ASN A 36 7.193 2.120 2.279 1.00 0.00 N ATOM 528 CA ASN A 36 7.260 1.945 0.829 1.00 0.00 C ATOM 529 C ASN A 36 7.707 0.541 0.463 1.00 0.00 C ATOM 530 O ASN A 36 8.898 0.224 0.560 1.00 0.00 O ATOM 531 CB ASN A 36 8.254 2.966 0.267 1.00 0.00 C ATOM 532 CG ASN A 36 8.490 2.890 -1.228 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.646 2.476 -2.015 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.654 3.351 -1.649 1.00 0.00 N ATOM 0 H ASN A 36 7.816 2.865 2.590 1.00 0.00 H new ATOM 0 HA ASN A 36 6.268 2.098 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.897 3.967 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.209 2.835 0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.865 3.367 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.342 3.691 -0.976 1.00 0.00 H new ATOM 541 N ILE A 37 6.788 -0.311 0.015 1.00 0.00 N ATOM 542 CA ILE A 37 7.133 -1.576 -0.607 1.00 0.00 C ATOM 543 C ILE A 37 7.589 -1.260 -2.030 1.00 0.00 C ATOM 544 O ILE A 37 6.854 -1.412 -3.007 1.00 0.00 O ATOM 545 CB ILE A 37 5.994 -2.615 -0.535 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.345 -2.738 0.862 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.566 -3.974 -0.984 1.00 0.00 C ATOM 548 CD1 ILE A 37 6.333 -2.942 2.015 1.00 0.00 C ATOM 0 H ILE A 37 5.784 -0.139 0.075 1.00 0.00 H new ATOM 0 HA ILE A 37 7.943 -2.061 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 37 5.193 -2.280 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.762 -1.838 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.646 -3.574 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.782 -4.730 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.939 -3.892 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.382 -4.262 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.785 -3.017 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.900 -3.859 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.018 -2.095 2.061 1.00 0.00 H new ATOM 560 N LYS A 38 8.841 -0.816 -2.148 1.00 0.00 N ATOM 561 CA LYS A 38 9.506 -0.678 -3.435 1.00 0.00 C ATOM 562 C LYS A 38 9.495 -2.023 -4.177 1.00 0.00 C ATOM 563 O LYS A 38 9.255 -2.037 -5.383 1.00 0.00 O ATOM 564 CB LYS A 38 10.910 -0.059 -3.252 1.00 0.00 C ATOM 565 CG LYS A 38 11.849 -0.837 -2.306 1.00 0.00 C ATOM 566 CD LYS A 38 12.438 -0.021 -1.149 1.00 0.00 C ATOM 567 CE LYS A 38 13.511 0.998 -1.549 1.00 0.00 C ATOM 568 NZ LYS A 38 14.786 0.380 -1.973 1.00 0.00 N ATOM 0 H LYS A 38 9.418 -0.543 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 38 8.962 0.020 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.386 0.018 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.796 0.956 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.300 -1.682 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.670 -1.248 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.627 0.507 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.867 -0.710 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.129 1.616 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.702 1.662 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.465 1.125 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.173 -0.188 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.618 -0.233 -2.796 1.00 0.00 H new ATOM 582 N GLN A 39 9.702 -3.143 -3.478 1.00 0.00 N ATOM 583 CA GLN A 39 9.824 -4.474 -4.071 1.00 0.00 C ATOM 584 C GLN A 39 8.442 -5.128 -4.188 1.00 0.00 C ATOM 585 O GLN A 39 8.152 -6.100 -3.485 1.00 0.00 O ATOM 586 CB GLN A 39 10.762 -5.327 -3.202 1.00 0.00 C ATOM 587 CG GLN A 39 12.136 -4.686 -2.971 1.00 0.00 C ATOM 588 CD GLN A 39 12.924 -5.496 -1.955 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.807 -6.283 -2.287 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.578 -5.333 -0.693 1.00 0.00 N ATOM 0 H GLN A 39 9.791 -3.147 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 39 10.244 -4.394 -5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.287 -5.506 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.899 -6.299 -3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.685 -4.634 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.014 -3.663 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.841 -4.672 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.047 -5.868 0.038 1.00 0.00 H new ATOM 599 N TRP A 40 7.565 -4.574 -5.026 1.00 0.00 N ATOM 600 CA TRP A 40 6.204 -5.080 -5.159 1.00 0.00 C ATOM 601 C TRP A 40 6.177 -6.492 -5.740 1.00 0.00 C ATOM 602 O TRP A 40 5.495 -7.371 -5.214 1.00 0.00 O ATOM 603 CB TRP A 40 5.348 -4.147 -6.023 1.00 0.00 C ATOM 604 CG TRP A 40 5.939 -3.557 -7.267 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.670 -2.424 -7.357 1.00 0.00 C ATOM 606 CD2 TRP A 40 5.788 -4.040 -8.634 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.017 -2.201 -8.676 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.488 -3.162 -9.510 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.105 -5.126 -9.221 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.526 -3.365 -10.897 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.149 -5.352 -10.607 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.857 -4.474 -11.441 1.00 0.00 C ATOM 0 H TRP A 40 7.776 -3.774 -5.622 1.00 0.00 H new ATOM 0 HA TRP A 40 5.783 -5.117 -4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.454 -4.698 -6.314 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.022 -3.321 -5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.941 -1.790 -6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.593 -1.421 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.537 -5.797 -8.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.061 -2.679 -11.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.637 -6.203 -11.031 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.888 -4.651 -12.506 1.00 0.00 H new ATOM 623 N GLN A 41 6.879 -6.698 -6.855 1.00 0.00 N ATOM 624 CA GLN A 41 6.615 -7.806 -7.765 1.00 0.00 C ATOM 625 C GLN A 41 6.801 -9.165 -7.083 1.00 0.00 C ATOM 626 O GLN A 41 5.950 -10.042 -7.236 1.00 0.00 O ATOM 627 CB GLN A 41 7.492 -7.605 -9.009 1.00 0.00 C ATOM 628 CG GLN A 41 7.035 -8.396 -10.240 1.00 0.00 C ATOM 629 CD GLN A 41 7.869 -9.649 -10.448 1.00 0.00 C ATOM 630 OE1 GLN A 41 7.434 -10.757 -10.174 1.00 0.00 O ATOM 631 NE2 GLN A 41 9.091 -9.520 -10.934 1.00 0.00 N ATOM 0 H GLN A 41 7.649 -6.097 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 41 5.570 -7.811 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.509 -6.544 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.515 -7.892 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.987 -8.672 -10.126 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.103 -7.763 -11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.454 -8.595 -11.163 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.671 -10.346 -11.080 1.00 0.00 H new ATOM 640 N GLN A 42 7.847 -9.296 -6.258 1.00 0.00 N ATOM 641 CA GLN A 42 8.136 -10.493 -5.470 1.00 0.00 C ATOM 642 C GLN A 42 6.991 -10.891 -4.531 1.00 0.00 C ATOM 643 O GLN A 42 6.886 -12.059 -4.157 1.00 0.00 O ATOM 644 CB GLN A 42 9.390 -10.265 -4.629 1.00 0.00 C ATOM 645 CG GLN A 42 10.640 -10.242 -5.507 1.00 0.00 C ATOM 646 CD GLN A 42 11.888 -10.380 -4.656 1.00 0.00 C ATOM 647 OE1 GLN A 42 11.983 -9.841 -3.552 1.00 0.00 O ATOM 648 NE2 GLN A 42 12.865 -11.134 -5.125 1.00 0.00 N ATOM 0 H GLN A 42 8.531 -8.552 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 42 8.277 -11.304 -6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.303 -9.323 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.480 -11.054 -3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.596 -11.053 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.678 -9.310 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.775 -11.575 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.710 -11.276 -4.572 1.00 0.00 H new ATOM 657 N ARG A 43 6.139 -9.956 -4.103 1.00 0.00 N ATOM 658 CA ARG A 43 5.057 -10.227 -3.156 1.00 0.00 C ATOM 659 C ARG A 43 3.777 -10.632 -3.878 1.00 0.00 C ATOM 660 O ARG A 43 2.689 -10.385 -3.367 1.00 0.00 O ATOM 661 CB ARG A 43 4.885 -9.055 -2.180 1.00 0.00 C ATOM 662 CG ARG A 43 6.193 -8.820 -1.413 1.00 0.00 C ATOM 663 CD ARG A 43 5.948 -8.054 -0.118 1.00 0.00 C ATOM 664 NE ARG A 43 7.221 -7.650 0.479 1.00 0.00 N ATOM 665 CZ ARG A 43 7.366 -6.774 1.469 1.00 0.00 C ATOM 666 NH1 ARG A 43 6.327 -6.387 2.200 1.00 0.00 N ATOM 667 NH2 ARG A 43 8.580 -6.284 1.680 1.00 0.00 N ATOM 0 H ARG A 43 6.182 -8.983 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 43 5.325 -11.089 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.606 -8.154 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.076 -9.268 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.662 -9.778 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.890 -8.264 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.336 -7.174 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.391 -8.677 0.582 1.00 0.00 H new ATOM 0 HE ARG A 43 8.069 -8.076 0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.399 -6.763 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.457 -5.714 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.359 -6.582 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.735 -5.609 2.429 1.00 0.00 H new ATOM 681 N ASN A 44 3.902 -11.217 -5.076 1.00 0.00 N ATOM 682 CA ASN A 44 2.830 -11.801 -5.889 1.00 0.00 C ATOM 683 C ASN A 44 1.859 -10.734 -6.427 1.00 0.00 C ATOM 684 O ASN A 44 0.947 -11.057 -7.194 1.00 0.00 O ATOM 685 CB ASN A 44 2.074 -12.918 -5.126 1.00 0.00 C ATOM 686 CG ASN A 44 2.959 -13.992 -4.489 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.765 -13.737 -3.597 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.851 -15.235 -4.905 1.00 0.00 N ATOM 0 H ASN A 44 4.811 -11.300 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 44 3.310 -12.260 -6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.472 -12.457 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.383 -13.403 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.430 -15.964 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.189 -15.470 -5.644 1.00 0.00 H new ATOM 695 N LEU A 45 2.042 -9.466 -6.051 1.00 0.00 N ATOM 696 CA LEU A 45 1.147 -8.346 -6.312 1.00 0.00 C ATOM 697 C LEU A 45 1.412 -7.711 -7.683 1.00 0.00 C ATOM 698 O LEU A 45 2.499 -7.900 -8.245 1.00 0.00 O ATOM 699 CB LEU A 45 1.367 -7.280 -5.224 1.00 0.00 C ATOM 700 CG LEU A 45 0.688 -7.615 -3.887 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.403 -6.952 -2.713 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.749 -7.092 -3.905 1.00 0.00 C ATOM 0 H LEU A 45 2.869 -9.181 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 45 0.123 -8.718 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.437 -7.158 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.990 -6.323 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 45 0.720 -8.698 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.895 -7.211 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.435 -7.301 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.391 -5.870 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.234 -7.328 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.741 -6.012 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.297 -7.563 -4.721 1.00 0.00 H new ATOM 714 N PRO A 46 0.464 -6.900 -8.193 1.00 0.00 N ATOM 715 CA PRO A 46 0.624 -6.162 -9.439 1.00 0.00 C ATOM 716 C PRO A 46 1.547 -4.942 -9.287 1.00 0.00 C ATOM 717 O PRO A 46 1.989 -4.583 -8.188 1.00 0.00 O ATOM 718 CB PRO A 46 -0.794 -5.735 -9.835 1.00 0.00 C ATOM 719 CG PRO A 46 -1.513 -5.609 -8.503 1.00 0.00 C ATOM 720 CD PRO A 46 -0.869 -6.674 -7.638 1.00 0.00 C ATOM 0 HA PRO A 46 1.099 -6.781 -10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.791 -4.791 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.270 -6.474 -10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.387 -4.615 -8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.585 -5.776 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.808 -6.348 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.456 -7.592 -7.650 1.00 0.00 H new ATOM 728 N ALA A 47 1.807 -4.288 -10.423 1.00 0.00 N ATOM 729 CA ALA A 47 2.559 -3.044 -10.539 1.00 0.00 C ATOM 730 C ALA A 47 1.845 -1.878 -9.834 1.00 0.00 C ATOM 731 O ALA A 47 0.645 -1.965 -9.561 1.00 0.00 O ATOM 732 CB ALA A 47 2.724 -2.738 -12.036 1.00 0.00 C ATOM 0 H ALA A 47 1.482 -4.631 -11.327 1.00 0.00 H new ATOM 0 HA ALA A 47 3.528 -3.160 -10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.284 -1.811 -12.158 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.264 -3.554 -12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.742 -2.632 -12.496 1.00 0.00 H new ATOM 738 N PRO A 48 2.534 -0.756 -9.571 1.00 0.00 N ATOM 739 CA PRO A 48 1.892 0.520 -9.267 1.00 0.00 C ATOM 740 C PRO A 48 1.254 1.137 -10.531 1.00 0.00 C ATOM 741 O PRO A 48 1.117 0.484 -11.569 1.00 0.00 O ATOM 742 CB PRO A 48 3.021 1.374 -8.678 1.00 0.00 C ATOM 743 CG PRO A 48 4.253 0.889 -9.436 1.00 0.00 C ATOM 744 CD PRO A 48 3.984 -0.607 -9.579 1.00 0.00 C ATOM 0 HA PRO A 48 1.061 0.430 -8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.845 2.438 -8.834 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.123 1.222 -7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.352 1.378 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.172 1.085 -8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.411 -0.994 -10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.438 -1.165 -8.760 1.00 0.00 H new ATOM 752 N ASP A 49 0.821 2.394 -10.443 1.00 0.00 N ATOM 753 CA ASP A 49 0.611 3.288 -11.584 1.00 0.00 C ATOM 754 C ASP A 49 1.876 4.156 -11.722 1.00 0.00 C ATOM 755 O ASP A 49 2.864 3.952 -11.019 1.00 0.00 O ATOM 756 CB ASP A 49 -0.609 4.221 -11.402 1.00 0.00 C ATOM 757 CG ASP A 49 -2.008 3.624 -11.249 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.187 2.401 -11.054 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.954 4.436 -11.341 1.00 0.00 O ATOM 0 H ASP A 49 0.600 2.833 -9.549 1.00 0.00 H new ATOM 0 HA ASP A 49 0.419 2.679 -12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.420 4.835 -10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.635 4.893 -12.260 1.00 0.00 H new ATOM 764 N ALA A 50 1.850 5.159 -12.605 1.00 0.00 N ATOM 765 CA ALA A 50 2.864 6.200 -12.697 1.00 0.00 C ATOM 766 C ALA A 50 3.009 6.940 -11.359 1.00 0.00 C ATOM 767 O ALA A 50 2.166 7.773 -11.014 1.00 0.00 O ATOM 768 CB ALA A 50 2.484 7.168 -13.824 1.00 0.00 C ATOM 0 H ALA A 50 1.102 5.267 -13.290 1.00 0.00 H new ATOM 0 HA ALA A 50 3.829 5.748 -12.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.238 7.951 -13.900 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.429 6.624 -14.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.515 7.617 -13.607 1.00 0.00 H new ATOM 774 N GLY A 51 4.075 6.647 -10.613 1.00 0.00 N ATOM 775 CA GLY A 51 4.492 7.398 -9.432 1.00 0.00 C ATOM 776 C GLY A 51 3.787 6.995 -8.143 1.00 0.00 C ATOM 777 O GLY A 51 4.244 7.362 -7.056 1.00 0.00 O ATOM 0 H GLY A 51 4.688 5.859 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.566 7.272 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.316 8.459 -9.611 1.00 0.00 H new ATOM 781 N SER A 52 2.710 6.213 -8.217 1.00 0.00 N ATOM 782 CA SER A 52 2.158 5.620 -7.020 1.00 0.00 C ATOM 783 C SER A 52 3.075 4.488 -6.549 1.00 0.00 C ATOM 784 O SER A 52 4.020 4.090 -7.241 1.00 0.00 O ATOM 785 CB SER A 52 0.704 5.218 -7.275 1.00 0.00 C ATOM 786 OG SER A 52 0.568 4.290 -8.324 1.00 0.00 O ATOM 0 H SER A 52 2.217 5.984 -9.080 1.00 0.00 H new ATOM 0 HA SER A 52 2.121 6.331 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.285 4.792 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.121 6.109 -7.507 1.00 0.00 H new ATOM 0 HG SER A 52 1.413 4.226 -8.816 1.00 0.00 H new ATOM 792 N HIS A 53 2.842 3.994 -5.339 1.00 0.00 N ATOM 793 CA HIS A 53 3.636 2.936 -4.743 1.00 0.00 C ATOM 794 C HIS A 53 2.838 2.255 -3.646 1.00 0.00 C ATOM 795 O HIS A 53 1.953 2.853 -3.036 1.00 0.00 O ATOM 796 CB HIS A 53 4.938 3.529 -4.205 1.00 0.00 C ATOM 797 CG HIS A 53 4.745 4.747 -3.335 1.00 0.00 C ATOM 798 ND1 HIS A 53 4.683 6.060 -3.767 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.678 4.746 -1.968 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.575 6.835 -2.674 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.593 6.081 -1.563 1.00 0.00 N ATOM 0 H HIS A 53 2.086 4.324 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 53 3.885 2.183 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.463 2.765 -3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.579 3.794 -5.046 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.689 3.879 -1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.486 7.911 -2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.552 6.420 -0.602 1.00 0.00 H new ATOM 809 N TRP A 54 3.135 0.985 -3.423 1.00 0.00 N ATOM 810 CA TRP A 54 2.488 0.185 -2.409 1.00 0.00 C ATOM 811 C TRP A 54 3.139 0.465 -1.061 1.00 0.00 C ATOM 812 O TRP A 54 4.361 0.619 -0.999 1.00 0.00 O ATOM 813 CB TRP A 54 2.607 -1.279 -2.816 1.00 0.00 C ATOM 814 CG TRP A 54 1.823 -1.620 -4.052 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.246 -1.556 -5.341 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.427 -2.034 -4.115 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.221 -1.955 -6.188 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.081 -2.270 -5.479 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.581 -2.223 -3.148 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -1.187 -2.728 -5.858 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.880 -2.613 -3.524 1.00 0.00 C ATOM 822 CH2 TRP A 54 -2.183 -2.863 -4.875 1.00 0.00 C ATOM 0 H TRP A 54 3.844 0.478 -3.952 1.00 0.00 H new ATOM 0 HA TRP A 54 1.430 0.432 -2.316 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.657 -1.518 -2.983 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.265 -1.906 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.230 -1.243 -5.659 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.301 -2.008 -7.203 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.353 -2.066 -2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.396 -2.974 -6.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.648 -2.721 -2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.182 -3.159 -5.157 1.00 0.00 H new ATOM 833 N THR A 55 2.361 0.480 0.019 1.00 0.00 N ATOM 834 CA THR A 55 2.865 0.676 1.370 1.00 0.00 C ATOM 835 C THR A 55 2.257 -0.344 2.323 1.00 0.00 C ATOM 836 O THR A 55 1.250 -0.976 2.002 1.00 0.00 O ATOM 837 CB THR A 55 2.647 2.126 1.842 1.00 0.00 C ATOM 838 OG1 THR A 55 1.286 2.487 1.866 1.00 0.00 O ATOM 839 CG2 THR A 55 3.355 3.117 0.934 1.00 0.00 C ATOM 0 H THR A 55 1.350 0.354 -0.024 1.00 0.00 H new ATOM 0 HA THR A 55 3.942 0.510 1.365 1.00 0.00 H new ATOM 0 HB THR A 55 3.056 2.163 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.199 3.414 2.173 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.181 4.130 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.425 2.911 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.968 3.022 -0.080 1.00 0.00 H new ATOM 847 N TYR A 56 2.887 -0.524 3.486 1.00 0.00 N ATOM 848 CA TYR A 56 2.445 -1.418 4.544 1.00 0.00 C ATOM 849 C TYR A 56 1.655 -0.599 5.564 1.00 0.00 C ATOM 850 O TYR A 56 2.241 0.076 6.416 1.00 0.00 O ATOM 851 CB TYR A 56 3.680 -2.108 5.147 1.00 0.00 C ATOM 852 CG TYR A 56 3.433 -3.362 5.964 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.617 -4.391 5.464 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.109 -3.555 7.184 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.495 -5.602 6.165 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.037 -4.788 7.854 1.00 0.00 C ATOM 857 CZ TYR A 56 3.225 -5.825 7.347 1.00 0.00 C ATOM 858 OH TYR A 56 3.136 -7.007 8.012 1.00 0.00 O ATOM 0 H TYR A 56 3.749 -0.031 3.719 1.00 0.00 H new ATOM 0 HA TYR A 56 1.786 -2.203 4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.359 -2.361 4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.197 -1.387 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.081 -4.250 4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.688 -2.748 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.834 -6.370 5.793 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.605 -4.943 8.760 1.00 0.00 H new ATOM 0 HH TYR A 56 3.711 -6.980 8.805 1.00 0.00 H new ATOM 868 N MET A 57 0.330 -0.611 5.446 1.00 0.00 N ATOM 869 CA MET A 57 -0.603 0.170 6.223 1.00 0.00 C ATOM 870 C MET A 57 -1.376 -0.809 7.100 1.00 0.00 C ATOM 871 O MET A 57 -2.322 -1.459 6.648 1.00 0.00 O ATOM 872 CB MET A 57 -1.499 0.889 5.217 1.00 0.00 C ATOM 873 CG MET A 57 -2.489 1.899 5.770 1.00 0.00 C ATOM 874 SD MET A 57 -2.805 1.941 7.544 1.00 0.00 S ATOM 875 CE MET A 57 -3.983 3.311 7.535 1.00 0.00 C ATOM 0 H MET A 57 -0.140 -1.204 4.762 1.00 0.00 H new ATOM 0 HA MET A 57 -0.137 0.912 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.858 1.401 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.059 0.135 4.663 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.146 2.890 5.474 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.443 1.730 5.271 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.046 3.743 8.534 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.650 4.073 6.830 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.965 2.944 7.236 1.00 0.00 H new ATOM 885 N GLY A 58 -0.940 -0.967 8.347 1.00 0.00 N ATOM 886 CA GLY A 58 -1.681 -1.755 9.315 1.00 0.00 C ATOM 887 C GLY A 58 -1.603 -3.260 9.074 1.00 0.00 C ATOM 888 O GLY A 58 -2.388 -3.984 9.689 1.00 0.00 O ATOM 0 H GLY A 58 -0.077 -0.558 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.302 -1.536 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.726 -1.447 9.296 1.00 0.00 H new ATOM 892 N GLY A 59 -0.708 -3.746 8.201 1.00 0.00 N ATOM 893 CA GLY A 59 -0.729 -5.125 7.748 1.00 0.00 C ATOM 894 C GLY A 59 -1.547 -5.305 6.466 1.00 0.00 C ATOM 895 O GLY A 59 -1.731 -6.444 6.036 1.00 0.00 O ATOM 0 H GLY A 59 0.044 -3.188 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.293 -5.463 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.145 -5.756 8.533 1.00 0.00 H new ATOM 899 N ASN A 60 -2.019 -4.226 5.831 1.00 0.00 N ATOM 900 CA ASN A 60 -2.627 -4.241 4.500 1.00 0.00 C ATOM 901 C ASN A 60 -1.645 -3.587 3.534 1.00 0.00 C ATOM 902 O ASN A 60 -0.925 -2.659 3.911 1.00 0.00 O ATOM 903 CB ASN A 60 -3.967 -3.489 4.487 1.00 0.00 C ATOM 904 CG ASN A 60 -4.911 -4.026 5.550 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.506 -5.083 5.385 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.021 -3.333 6.671 1.00 0.00 N ATOM 0 H ASN A 60 -1.987 -3.293 6.242 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.835 -5.269 4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.792 -2.427 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.430 -3.583 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.614 -3.676 7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.513 -2.455 6.780 1.00 0.00 H new ATOM 913 N TYR A 61 -1.624 -4.046 2.283 1.00 0.00 N ATOM 914 CA TYR A 61 -0.796 -3.479 1.233 1.00 0.00 C ATOM 915 C TYR A 61 -1.659 -2.519 0.445 1.00 0.00 C ATOM 916 O TYR A 61 -2.614 -2.944 -0.207 1.00 0.00 O ATOM 917 CB TYR A 61 -0.223 -4.562 0.317 1.00 0.00 C ATOM 918 CG TYR A 61 0.838 -5.407 0.982 1.00 0.00 C ATOM 919 CD1 TYR A 61 1.984 -4.804 1.538 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.673 -6.799 1.062 1.00 0.00 C ATOM 921 CE1 TYR A 61 2.968 -5.591 2.161 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.665 -7.592 1.657 1.00 0.00 C ATOM 923 CZ TYR A 61 2.816 -6.994 2.216 1.00 0.00 C ATOM 924 OH TYR A 61 3.781 -7.753 2.805 1.00 0.00 O ATOM 0 H TYR A 61 -2.192 -4.834 1.972 1.00 0.00 H new ATOM 0 HA TYR A 61 0.057 -2.963 1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.033 -5.208 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.201 -4.091 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.107 -3.732 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.219 -7.260 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.839 -5.124 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.548 -8.665 1.688 1.00 0.00 H new ATOM 0 HH TYR A 61 3.368 -8.365 3.450 1.00 0.00 H new ATOM 934 N VAL A 62 -1.347 -1.229 0.494 1.00 0.00 N ATOM 935 CA VAL A 62 -2.239 -0.201 -0.020 1.00 0.00 C ATOM 936 C VAL A 62 -1.441 0.582 -1.066 1.00 0.00 C ATOM 937 O VAL A 62 -0.268 0.880 -0.849 1.00 0.00 O ATOM 938 CB VAL A 62 -2.836 0.596 1.165 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.387 -0.308 2.278 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.831 1.563 1.785 1.00 0.00 C ATOM 0 H VAL A 62 -0.477 -0.870 0.887 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.123 -0.578 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.659 1.160 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.792 0.309 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.176 -0.942 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.584 -0.933 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.301 2.096 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.971 1.006 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.502 2.279 1.032 1.00 0.00 H new ATOM 950 N LEU A 63 -2.010 0.813 -2.245 1.00 0.00 N ATOM 951 CA LEU A 63 -1.356 1.501 -3.360 1.00 0.00 C ATOM 952 C LEU A 63 -1.717 2.975 -3.276 1.00 0.00 C ATOM 953 O LEU A 63 -2.892 3.312 -3.432 1.00 0.00 O ATOM 954 CB LEU A 63 -1.793 0.898 -4.702 1.00 0.00 C ATOM 955 CG LEU A 63 -1.194 1.598 -5.938 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.337 1.698 -5.918 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.659 0.857 -7.201 1.00 0.00 C ATOM 0 H LEU A 63 -2.963 0.521 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.274 1.381 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.511 -0.155 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.880 0.938 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.556 2.626 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.680 2.203 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.653 2.265 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.766 0.697 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.241 1.343 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.319 -0.178 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.747 0.879 -7.256 1.00 0.00 H new ATOM 969 N ILE A 64 -0.744 3.837 -2.993 1.00 0.00 N ATOM 970 CA ILE A 64 -0.955 5.258 -2.744 1.00 0.00 C ATOM 971 C ILE A 64 -0.245 6.088 -3.803 1.00 0.00 C ATOM 972 O ILE A 64 0.841 5.714 -4.245 1.00 0.00 O ATOM 973 CB ILE A 64 -0.499 5.625 -1.320 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.976 5.289 -1.024 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.426 4.944 -0.312 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.477 5.989 0.237 1.00 0.00 C ATOM 0 H ILE A 64 0.235 3.559 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.020 5.482 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.565 6.709 -1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.087 4.211 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.593 5.584 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.112 5.197 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.449 5.285 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.379 3.863 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.520 5.725 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.391 7.068 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.877 5.674 1.091 1.00 0.00 H new ATOM 988 N THR A 65 -0.832 7.207 -4.224 1.00 0.00 N ATOM 989 CA THR A 65 -0.142 8.143 -5.100 1.00 0.00 C ATOM 990 C THR A 65 0.865 8.930 -4.267 1.00 0.00 C ATOM 991 O THR A 65 0.537 9.391 -3.179 1.00 0.00 O ATOM 992 CB THR A 65 -1.143 9.055 -5.839 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.390 9.165 -5.177 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.428 8.472 -7.217 1.00 0.00 C ATOM 0 H THR A 65 -1.781 7.484 -3.972 1.00 0.00 H new ATOM 0 HA THR A 65 0.397 7.603 -5.878 1.00 0.00 H new ATOM 0 HB THR A 65 -0.682 10.042 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.032 9.620 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.135 9.113 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.500 8.411 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.853 7.474 -7.109 1.00 0.00 H new ATOM 1002 N ASP A 66 2.075 9.133 -4.781 1.00 0.00 N ATOM 1003 CA ASP A 66 3.093 9.967 -4.126 1.00 0.00 C ATOM 1004 C ASP A 66 2.681 11.424 -3.899 1.00 0.00 C ATOM 1005 O ASP A 66 3.243 12.143 -3.074 1.00 0.00 O ATOM 1006 CB ASP A 66 4.388 9.955 -4.937 1.00 0.00 C ATOM 1007 CG ASP A 66 4.387 10.662 -6.291 1.00 0.00 C ATOM 1008 OD1 ASP A 66 3.336 10.719 -6.963 1.00 0.00 O ATOM 1009 OD2 ASP A 66 5.468 11.160 -6.689 1.00 0.00 O ATOM 0 H ASP A 66 2.383 8.726 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 66 3.229 9.519 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.170 10.404 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.670 8.915 -5.102 1.00 0.00 H new ATOM 1014 N THR A 67 1.671 11.857 -4.625 1.00 0.00 N ATOM 1015 CA THR A 67 1.332 13.241 -4.883 1.00 0.00 C ATOM 1016 C THR A 67 -0.041 13.577 -4.267 1.00 0.00 C ATOM 1017 O THR A 67 -0.644 14.607 -4.564 1.00 0.00 O ATOM 1018 CB THR A 67 1.512 13.421 -6.402 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.377 14.760 -6.811 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.629 12.481 -7.225 1.00 0.00 C ATOM 0 H THR A 67 1.025 11.211 -5.079 1.00 0.00 H new ATOM 0 HA THR A 67 1.972 13.978 -4.398 1.00 0.00 H new ATOM 0 HB THR A 67 2.543 13.133 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.708 15.207 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.802 12.656 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.874 11.447 -6.983 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.419 12.669 -6.992 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.572 12.694 -3.412 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.939 12.763 -2.904 1.00 0.00 C ATOM 1030 C GLU A 68 -2.112 11.748 -1.772 1.00 0.00 C ATOM 1031 O GLU A 68 -2.591 12.062 -0.682 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.853 12.385 -4.080 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.345 12.285 -3.773 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.026 13.643 -3.870 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.510 14.606 -3.260 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -6.020 13.768 -4.619 1.00 0.00 O ATOM 0 H GLU A 68 -0.049 11.897 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.176 13.754 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.715 13.122 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.521 11.426 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.815 11.590 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.485 11.877 -2.772 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.729 10.507 -2.063 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.959 9.336 -1.252 1.00 0.00 C ATOM 1045 C GLY A 69 -3.344 8.747 -1.457 1.00 0.00 C ATOM 1046 O GLY A 69 -3.893 8.168 -0.519 1.00 0.00 O ATOM 0 H GLY A 69 -1.222 10.290 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.209 8.582 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.830 9.595 -0.201 1.00 0.00 H new ATOM 1050 N LYS A 70 -3.928 8.897 -2.650 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.222 8.299 -2.948 1.00 0.00 C ATOM 1052 C LYS A 70 -5.089 6.788 -2.905 1.00 0.00 C ATOM 1053 O LYS A 70 -4.107 6.239 -3.401 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.755 8.751 -4.316 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.151 9.390 -4.211 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.230 8.618 -4.984 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.016 8.706 -6.497 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.209 10.081 -6.999 1.00 0.00 N ATOM 0 H LYS A 70 -3.521 9.428 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.940 8.631 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.061 9.467 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.799 7.894 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.438 9.450 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.105 10.412 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.221 7.573 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.213 9.016 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.009 8.368 -6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.710 8.034 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.275 10.066 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.086 10.476 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.403 10.672 -6.712 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.076 6.129 -2.321 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.135 4.697 -2.135 1.00 0.00 C ATOM 1074 C ILE A 71 -6.579 4.098 -3.461 1.00 0.00 C ATOM 1075 O ILE A 71 -7.767 3.875 -3.696 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.011 4.357 -0.905 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.357 5.002 0.341 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.166 2.836 -0.702 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.108 4.767 1.646 1.00 0.00 C ATOM 0 H ILE A 71 -6.896 6.606 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.170 4.251 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.014 4.752 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.344 4.614 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.271 6.076 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.788 2.647 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.635 2.397 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.184 2.387 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.578 5.255 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.113 5.182 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.171 3.697 1.842 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.606 3.888 -4.350 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.846 3.408 -5.699 1.00 0.00 C ATOM 1093 C LEU A 72 -6.374 1.977 -5.672 1.00 0.00 C ATOM 1094 O LEU A 72 -7.306 1.663 -6.411 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.560 3.461 -6.539 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.935 4.846 -6.801 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.839 4.697 -7.865 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.943 5.888 -7.296 1.00 0.00 C ATOM 0 H LEU A 72 -4.620 4.050 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.592 4.060 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.811 2.842 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.770 2.999 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.542 5.201 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.387 5.670 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.075 4.008 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.275 4.308 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.434 6.838 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.387 5.549 -8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.726 6.020 -6.549 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.756 1.103 -4.871 1.00 0.00 N ATOM 1111 CA LYS A 73 -6.104 -0.307 -4.676 1.00 0.00 C ATOM 1112 C LYS A 73 -5.632 -0.711 -3.283 1.00 0.00 C ATOM 1113 O LYS A 73 -4.743 -0.051 -2.737 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.390 -1.202 -5.706 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.974 -1.100 -7.120 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.195 -1.951 -8.129 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.374 -3.465 -7.964 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.690 -3.948 -8.442 1.00 0.00 N ATOM 0 H LYS A 73 -4.951 1.378 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.180 -0.431 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.334 -0.933 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.445 -2.239 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.016 -1.420 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.965 -0.058 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.504 -1.670 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.135 -1.713 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.584 -3.980 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.257 -3.727 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.780 -4.965 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.448 -3.431 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.767 -3.787 -9.467 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.134 -1.829 -2.759 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.632 -2.463 -1.550 1.00 0.00 C ATOM 1134 C VAL A 74 -5.588 -3.965 -1.829 1.00 0.00 C ATOM 1135 O VAL A 74 -6.395 -4.468 -2.620 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.550 -2.123 -0.355 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.118 -2.833 0.939 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.613 -0.607 -0.107 1.00 0.00 C ATOM 0 H VAL A 74 -6.920 -2.327 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.636 -2.106 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.542 -2.485 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.796 -2.560 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.148 -3.912 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.103 -2.531 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.268 -0.404 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.613 -0.232 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.004 -0.109 -0.994 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.675 -4.672 -1.170 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.783 -6.096 -0.906 1.00 0.00 C ATOM 1150 C TYR A 75 -4.463 -6.317 0.576 1.00 0.00 C ATOM 1151 O TYR A 75 -3.780 -5.497 1.195 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.838 -6.904 -1.799 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.217 -6.878 -3.268 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.125 -7.817 -3.792 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.692 -5.882 -4.106 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.536 -7.752 -5.133 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.074 -5.818 -5.454 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.009 -6.739 -5.967 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.437 -6.558 -7.242 1.00 0.00 O ATOM 0 H TYR A 75 -3.821 -4.257 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.792 -6.441 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.826 -6.516 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.823 -7.938 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.511 -8.598 -3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.991 -5.162 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.246 -8.467 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.651 -5.062 -6.099 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.375 -6.833 -7.314 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.919 -7.427 1.144 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.499 -7.885 2.470 1.00 0.00 C ATOM 1171 C ASP A 76 -2.994 -8.207 2.443 1.00 0.00 C ATOM 1172 O ASP A 76 -2.438 -8.511 1.385 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.333 -9.117 2.848 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.315 -9.438 4.345 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.221 -9.524 4.939 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.411 -9.660 4.910 1.00 0.00 O ATOM 0 H ASP A 76 -5.597 -8.043 0.696 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.662 -7.111 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.364 -8.957 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.961 -9.980 2.296 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.318 -8.169 3.592 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.963 -8.673 3.776 1.00 0.00 C ATOM 1183 C GLY A 77 -0.838 -10.169 3.565 1.00 0.00 C ATOM 1184 O GLY A 77 0.252 -10.626 3.223 1.00 0.00 O ATOM 0 H GLY A 77 -2.714 -7.774 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.296 -8.160 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.627 -8.427 4.783 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.928 -10.925 3.693 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.910 -12.373 3.534 1.00 0.00 C ATOM 1190 C GLU A 78 -1.432 -12.835 2.145 1.00 0.00 C ATOM 1191 O GLU A 78 -1.025 -13.991 1.992 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.285 -12.953 3.856 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.619 -12.858 5.360 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.301 -14.101 5.937 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -4.262 -15.186 5.316 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.917 -13.981 7.021 1.00 0.00 O ATOM 0 H GLU A 78 -2.850 -10.546 3.911 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.176 -12.756 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.045 -12.422 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.320 -13.996 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.698 -12.674 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.266 -11.996 5.522 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.427 -11.950 1.142 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.876 -12.221 -0.182 1.00 0.00 C ATOM 1205 C ILE A 79 0.636 -12.473 -0.147 1.00 0.00 C ATOM 1206 O ILE A 79 1.157 -13.206 -0.985 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.248 -11.061 -1.124 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -0.980 -11.463 -2.584 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.503 -9.758 -0.770 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.717 -10.564 -3.572 1.00 0.00 C ATOM 0 H ILE A 79 -1.813 -11.010 1.233 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.314 -13.144 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.312 -10.860 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.091 -11.416 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.288 -12.497 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.799 -8.970 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.755 -9.460 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.572 -9.922 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.498 -10.886 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.790 -10.630 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.390 -9.533 -3.439 1.00 0.00 H new ATOM 1222 N PHE A 80 1.347 -11.919 0.840 1.00 0.00 N ATOM 1223 CA PHE A 80 2.784 -12.122 1.004 1.00 0.00 C ATOM 1224 C PHE A 80 3.112 -13.584 1.347 1.00 0.00 C ATOM 1225 O PHE A 80 4.269 -13.996 1.265 1.00 0.00 O ATOM 1226 CB PHE A 80 3.276 -11.157 2.092 1.00 0.00 C ATOM 1227 CG PHE A 80 4.767 -11.135 2.383 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.724 -11.277 1.358 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.196 -10.989 3.714 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.094 -11.317 1.672 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.563 -11.036 4.028 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.513 -11.217 3.008 1.00 0.00 C ATOM 0 H PHE A 80 0.936 -11.314 1.551 1.00 0.00 H new ATOM 0 HA PHE A 80 3.299 -11.912 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.973 -10.149 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.755 -11.400 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.404 -11.355 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.469 -10.840 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.825 -11.425 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.885 -10.933 5.054 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.563 -11.279 3.252 1.00 0.00 H new ATOM 1242 N TYR A 81 2.095 -14.378 1.687 1.00 0.00 N ATOM 1243 CA TYR A 81 2.193 -15.776 2.063 1.00 0.00 C ATOM 1244 C TYR A 81 1.358 -16.634 1.092 1.00 0.00 C ATOM 1245 O TYR A 81 1.017 -17.782 1.401 1.00 0.00 O ATOM 1246 CB TYR A 81 1.791 -15.924 3.543 1.00 0.00 C ATOM 1247 CG TYR A 81 2.328 -14.835 4.469 1.00 0.00 C ATOM 1248 CD1 TYR A 81 1.599 -13.643 4.619 1.00 0.00 C ATOM 1249 CD2 TYR A 81 3.549 -14.982 5.154 1.00 0.00 C ATOM 1250 CE1 TYR A 81 2.058 -12.606 5.447 1.00 0.00 C ATOM 1251 CE2 TYR A 81 4.026 -13.946 5.983 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.277 -12.757 6.138 1.00 0.00 C ATOM 1253 OH TYR A 81 3.732 -11.733 6.915 1.00 0.00 O ATOM 0 H TYR A 81 1.133 -14.038 1.706 1.00 0.00 H new ATOM 0 HA TYR A 81 3.216 -16.142 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.703 -15.933 3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.140 -16.892 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.667 -13.522 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.122 -15.891 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.481 -11.699 5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.967 -14.061 6.501 1.00 0.00 H new ATOM 0 HH TYR A 81 4.584 -11.988 7.327 1.00 0.00 H new ATOM 1263 N HIS A 82 1.021 -16.093 -0.086 1.00 0.00 N ATOM 1264 CA HIS A 82 0.551 -16.827 -1.255 1.00 0.00 C ATOM 1265 C HIS A 82 1.734 -17.626 -1.831 1.00 0.00 C ATOM 1266 O HIS A 82 2.816 -17.665 -1.237 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.020 -15.790 -2.239 1.00 0.00 C ATOM 1268 CG HIS A 82 -0.916 -16.294 -3.341 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.917 -17.236 -3.236 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -0.999 -15.737 -4.589 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.574 -17.256 -4.411 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.062 -16.349 -5.262 1.00 0.00 N ATOM 0 H HIS A 82 1.073 -15.088 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.235 -17.546 -1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.578 -15.052 -1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.818 -15.267 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.358 -14.963 -4.984 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.401 -17.912 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.384 -16.148 -6.209 1.00 0.00 H new ATOM 1280 N ARG A 83 1.567 -18.271 -2.985 1.00 0.00 N ATOM 1281 CA ARG A 83 2.673 -18.857 -3.738 1.00 0.00 C ATOM 1282 C ARG A 83 2.495 -18.424 -5.168 1.00 0.00 C ATOM 1283 O ARG A 83 3.517 -18.337 -5.870 1.00 0.00 O ATOM 1284 CB ARG A 83 2.727 -20.388 -3.674 1.00 0.00 C ATOM 1285 CG ARG A 83 2.457 -21.022 -2.305 1.00 0.00 C ATOM 1286 CD ARG A 83 2.688 -22.529 -2.444 1.00 0.00 C ATOM 1287 NE ARG A 83 1.977 -23.311 -1.429 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.880 -24.642 -1.394 1.00 0.00 C ATOM 1289 NH1 ARG A 83 2.508 -25.410 -2.278 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.116 -25.186 -0.459 1.00 0.00 N ATOM 0 H ARG A 83 0.656 -18.402 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 83 3.610 -18.512 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.002 -20.786 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.712 -20.710 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.120 -20.600 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.436 -20.818 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.366 -22.851 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.756 -22.736 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 83 1.515 -22.792 -0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.082 -24.985 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.417 -26.425 -2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.623 -24.591 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.020 -26.200 -0.405 1.00 0.00 H new