USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Set 1.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.307 X(o=-0.31,f=0.14) USER MOD Single : A 30 ASN : amide:sc= -0.371 K(o=-0.37,f=-10!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -2.17 F(o=-3.5!,f=-2.2) USER MOD Single : A 51 TYR OH : rot 151:sc=0.000614 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.0565 X(o=0.057,f=-0.15) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.013 (180deg=-0.146) USER MOD Single : A 60 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1.05) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.103 F(o=-1.2,f=-0.1) USER MOD Single : A 75 SER OG : rot 74:sc= 0.417 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -147:sc= -1.52 (180deg=-3.82!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 27.880 -16.868 1.692 1.00 0.00 N ATOM 2 CA ASP A 28 27.942 -15.444 1.352 1.00 0.00 C ATOM 3 C ASP A 28 26.994 -15.161 0.208 1.00 0.00 C ATOM 4 O ASP A 28 27.073 -15.810 -0.837 1.00 0.00 O ATOM 5 CB ASP A 28 29.372 -15.050 0.972 1.00 0.00 C ATOM 6 CG ASP A 28 29.535 -13.594 0.634 1.00 0.00 C ATOM 7 OD1 ASP A 28 29.656 -12.773 1.566 1.00 0.00 O ATOM 8 OD2 ASP A 28 29.589 -13.253 -0.559 1.00 0.00 O ATOM 0 HA ASP A 28 27.645 -14.853 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 28 30.038 -15.297 1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 28 29.688 -15.649 0.118 1.00 0.00 H new ATOM 13 N PRO A 29 26.072 -14.204 0.384 1.00 0.00 N ATOM 14 CA PRO A 29 25.091 -13.861 -0.639 1.00 0.00 C ATOM 15 C PRO A 29 25.704 -13.025 -1.738 1.00 0.00 C ATOM 16 O PRO A 29 26.916 -12.825 -1.782 1.00 0.00 O ATOM 17 CB PRO A 29 24.064 -13.031 0.143 1.00 0.00 C ATOM 18 CG PRO A 29 24.858 -12.374 1.214 1.00 0.00 C ATOM 19 CD PRO A 29 25.927 -13.359 1.594 1.00 0.00 C ATOM 0 HA PRO A 29 24.673 -14.738 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 29 23.576 -12.296 -0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 29 23.279 -13.661 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 29 25.295 -11.440 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 29 24.231 -12.128 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 29 26.861 -12.858 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.637 -13.950 2.463 1.00 0.00 H new ATOM 27 N ASN A 30 24.874 -12.562 -2.636 1.00 0.00 N ATOM 28 CA ASN A 30 25.274 -11.687 -3.672 1.00 0.00 C ATOM 29 C ASN A 30 25.825 -10.387 -3.072 1.00 0.00 C ATOM 30 O ASN A 30 26.684 -9.728 -3.653 1.00 0.00 O ATOM 31 CB ASN A 30 24.075 -11.446 -4.622 1.00 0.00 C ATOM 32 CG ASN A 30 22.825 -10.775 -3.998 1.00 0.00 C ATOM 33 OD1 ASN A 30 22.906 -9.965 -3.080 1.00 0.00 O ATOM 34 ND2 ASN A 30 21.665 -11.125 -4.493 1.00 0.00 N ATOM 0 H ASN A 30 23.882 -12.797 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 30 26.078 -12.129 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.416 -10.828 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 30 23.774 -12.406 -5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 30 20.807 -10.723 -4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 30 21.619 -11.800 -5.256 1.00 0.00 H new ATOM 41 N ALA A 31 25.298 -10.052 -1.881 1.00 0.00 N ATOM 42 CA ALA A 31 25.710 -8.907 -1.073 1.00 0.00 C ATOM 43 C ALA A 31 25.576 -7.596 -1.831 1.00 0.00 C ATOM 44 O ALA A 31 26.230 -6.590 -1.512 1.00 0.00 O ATOM 45 CB ALA A 31 27.105 -9.121 -0.495 1.00 0.00 C ATOM 0 H ALA A 31 24.550 -10.593 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 31 25.026 -8.829 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.388 -8.254 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.106 -10.011 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.820 -9.251 -1.308 1.00 0.00 H new ATOM 51 N GLU A 32 24.669 -7.597 -2.762 1.00 0.00 N ATOM 52 CA GLU A 32 24.411 -6.449 -3.580 1.00 0.00 C ATOM 53 C GLU A 32 23.592 -5.453 -2.776 1.00 0.00 C ATOM 54 O GLU A 32 23.823 -4.249 -2.825 1.00 0.00 O ATOM 55 CB GLU A 32 23.678 -6.829 -4.867 1.00 0.00 C ATOM 56 CG GLU A 32 23.494 -5.661 -5.824 1.00 0.00 C ATOM 57 CD GLU A 32 22.685 -6.016 -7.035 1.00 0.00 C ATOM 58 OE1 GLU A 32 23.261 -6.488 -8.047 1.00 0.00 O ATOM 59 OE2 GLU A 32 21.453 -5.827 -7.001 1.00 0.00 O ATOM 0 H GLU A 32 24.082 -8.403 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 32 25.361 -6.002 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.233 -7.620 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.700 -7.238 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.007 -4.840 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.473 -5.301 -6.141 1.00 0.00 H new ATOM 66 N PHE A 33 22.648 -5.986 -2.030 1.00 0.00 N ATOM 67 CA PHE A 33 21.811 -5.209 -1.138 1.00 0.00 C ATOM 68 C PHE A 33 22.648 -4.654 0.018 1.00 0.00 C ATOM 69 O PHE A 33 23.696 -5.215 0.358 1.00 0.00 O ATOM 70 CB PHE A 33 20.663 -6.093 -0.595 1.00 0.00 C ATOM 71 CG PHE A 33 21.133 -7.337 0.128 1.00 0.00 C ATOM 72 CD1 PHE A 33 21.362 -8.513 -0.569 1.00 0.00 C ATOM 73 CD2 PHE A 33 21.348 -7.327 1.498 1.00 0.00 C ATOM 74 CE1 PHE A 33 21.801 -9.646 0.081 1.00 0.00 C ATOM 75 CE2 PHE A 33 21.789 -8.457 2.150 1.00 0.00 C ATOM 76 CZ PHE A 33 22.015 -9.620 1.438 1.00 0.00 C ATOM 0 H PHE A 33 22.437 -6.984 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 33 21.382 -4.372 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 33 20.051 -5.499 0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.022 -6.388 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 33 21.194 -8.542 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.168 -6.423 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.977 -10.554 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.958 -8.435 3.216 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.360 -10.508 1.948 1.00 0.00 H new ATOM 86 N ASP A 34 22.203 -3.571 0.604 1.00 0.00 N ATOM 87 CA ASP A 34 22.904 -2.967 1.735 1.00 0.00 C ATOM 88 C ASP A 34 22.600 -3.779 2.993 1.00 0.00 C ATOM 89 O ASP A 34 21.441 -4.108 3.239 1.00 0.00 O ATOM 90 CB ASP A 34 22.435 -1.533 1.932 1.00 0.00 C ATOM 91 CG ASP A 34 23.250 -0.789 2.964 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.082 -1.030 4.168 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.085 0.055 2.565 1.00 0.00 O ATOM 0 H ASP A 34 21.355 -3.079 0.323 1.00 0.00 H new ATOM 0 HA ASP A 34 23.977 -2.964 1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.490 -1.003 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.388 -1.536 2.235 1.00 0.00 H new ATOM 98 N PRO A 35 23.614 -4.134 3.793 1.00 0.00 N ATOM 99 CA PRO A 35 23.413 -4.956 4.977 1.00 0.00 C ATOM 100 C PRO A 35 23.056 -4.162 6.244 1.00 0.00 C ATOM 101 O PRO A 35 22.647 -4.749 7.259 1.00 0.00 O ATOM 102 CB PRO A 35 24.753 -5.658 5.130 1.00 0.00 C ATOM 103 CG PRO A 35 25.757 -4.667 4.620 1.00 0.00 C ATOM 104 CD PRO A 35 25.041 -3.798 3.602 1.00 0.00 C ATOM 0 HA PRO A 35 22.562 -5.626 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.947 -5.920 6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 35 24.783 -6.585 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.150 -4.061 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.605 -5.177 4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.229 -2.739 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.371 -4.017 2.586 1.00 0.00 H new ATOM 112 N ASP A 36 23.193 -2.860 6.203 1.00 0.00 N ATOM 113 CA ASP A 36 22.860 -2.039 7.359 1.00 0.00 C ATOM 114 C ASP A 36 21.398 -1.723 7.319 1.00 0.00 C ATOM 115 O ASP A 36 20.723 -1.659 8.351 1.00 0.00 O ATOM 116 CB ASP A 36 23.682 -0.758 7.392 1.00 0.00 C ATOM 117 CG ASP A 36 23.332 0.147 8.555 1.00 0.00 C ATOM 118 OD1 ASP A 36 23.789 -0.119 9.693 1.00 0.00 O ATOM 119 OD2 ASP A 36 22.602 1.144 8.353 1.00 0.00 O ATOM 0 H ASP A 36 23.530 -2.341 5.392 1.00 0.00 H new ATOM 0 HA ASP A 36 23.097 -2.594 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.740 -1.014 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.533 -0.214 6.459 1.00 0.00 H new ATOM 124 N LEU A 37 20.905 -1.574 6.127 1.00 0.00 N ATOM 125 CA LEU A 37 19.510 -1.336 5.906 1.00 0.00 C ATOM 126 C LEU A 37 18.794 -2.688 5.784 1.00 0.00 C ATOM 127 O LEU A 37 19.376 -3.641 5.282 1.00 0.00 O ATOM 128 CB LEU A 37 19.280 -0.454 4.664 1.00 0.00 C ATOM 129 CG LEU A 37 19.618 1.063 4.750 1.00 0.00 C ATOM 130 CD1 LEU A 37 18.808 1.743 5.832 1.00 0.00 C ATOM 131 CD2 LEU A 37 21.100 1.328 4.945 1.00 0.00 C ATOM 0 H LEU A 37 21.463 -1.614 5.274 1.00 0.00 H new ATOM 0 HA LEU A 37 19.096 -0.787 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.864 -0.877 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.230 -0.543 4.385 1.00 0.00 H new ATOM 0 HG LEU A 37 19.344 1.492 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.066 2.801 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.746 1.635 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.028 1.283 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.274 2.403 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.434 0.861 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.658 0.911 4.106 1.00 0.00 H new ATOM 143 N PRO A 38 17.528 -2.799 6.262 1.00 0.00 N ATOM 144 CA PRO A 38 16.792 -4.079 6.309 1.00 0.00 C ATOM 145 C PRO A 38 16.746 -4.868 5.002 1.00 0.00 C ATOM 146 O PRO A 38 17.508 -5.819 4.819 1.00 0.00 O ATOM 147 CB PRO A 38 15.402 -3.705 6.822 1.00 0.00 C ATOM 148 CG PRO A 38 15.625 -2.432 7.568 1.00 0.00 C ATOM 149 CD PRO A 38 16.719 -1.703 6.824 1.00 0.00 C ATOM 0 HA PRO A 38 17.313 -4.781 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.697 -3.569 6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.993 -4.481 7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.713 -1.836 7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.918 -2.630 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.315 -1.059 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.305 -1.069 7.489 1.00 0.00 H new ATOM 157 N GLY A 39 15.884 -4.487 4.106 1.00 0.00 N ATOM 158 CA GLY A 39 15.824 -5.155 2.837 1.00 0.00 C ATOM 159 C GLY A 39 16.685 -4.450 1.864 1.00 0.00 C ATOM 160 O GLY A 39 16.207 -3.967 0.825 1.00 0.00 O ATOM 0 H GLY A 39 15.218 -3.724 4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.150 -6.190 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.796 -5.180 2.476 1.00 0.00 H new ATOM 164 N GLY A 40 17.958 -4.316 2.235 1.00 0.00 N ATOM 165 CA GLY A 40 18.903 -3.578 1.447 1.00 0.00 C ATOM 166 C GLY A 40 18.540 -2.119 1.406 1.00 0.00 C ATOM 167 O GLY A 40 19.094 -1.355 0.628 1.00 0.00 O ATOM 0 H GLY A 40 18.346 -4.719 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.903 -3.697 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.931 -3.979 0.434 1.00 0.00 H new ATOM 171 N GLY A 41 17.590 -1.737 2.269 1.00 0.00 N ATOM 172 CA GLY A 41 17.038 -0.391 2.250 1.00 0.00 C ATOM 173 C GLY A 41 16.154 -0.119 1.030 1.00 0.00 C ATOM 174 O GLY A 41 15.485 0.898 0.969 1.00 0.00 O ATOM 0 H GLY A 41 17.193 -2.345 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.454 -0.232 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.855 0.330 2.267 1.00 0.00 H new ATOM 178 N LEU A 42 16.130 -1.053 0.087 1.00 0.00 N ATOM 179 CA LEU A 42 15.415 -0.880 -1.148 1.00 0.00 C ATOM 180 C LEU A 42 13.960 -1.259 -1.013 1.00 0.00 C ATOM 181 O LEU A 42 13.098 -0.690 -1.678 1.00 0.00 O ATOM 182 CB LEU A 42 16.081 -1.699 -2.247 1.00 0.00 C ATOM 183 CG LEU A 42 17.543 -1.350 -2.564 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.079 -2.251 -3.660 1.00 0.00 C ATOM 185 CD2 LEU A 42 17.683 0.116 -2.963 1.00 0.00 C ATOM 0 H LEU A 42 16.610 -1.949 0.168 1.00 0.00 H new ATOM 0 HA LEU A 42 15.449 0.177 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.033 -2.751 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.496 -1.586 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 42 18.131 -1.512 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.116 -1.989 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.026 -3.290 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.481 -2.122 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.728 0.335 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.078 0.311 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.343 0.750 -2.144 1.00 0.00 H new ATOM 197 N HIS A 43 13.680 -2.203 -0.143 1.00 0.00 N ATOM 198 CA HIS A 43 12.312 -2.637 0.051 1.00 0.00 C ATOM 199 C HIS A 43 11.643 -1.715 1.019 1.00 0.00 C ATOM 200 O HIS A 43 11.657 -1.941 2.236 1.00 0.00 O ATOM 201 CB HIS A 43 12.171 -4.087 0.538 1.00 0.00 C ATOM 202 CG HIS A 43 12.818 -5.127 -0.329 1.00 0.00 C ATOM 203 ND1 HIS A 43 13.904 -5.895 -0.120 1.00 0.00 N flip ATOM 204 CD2 HIS A 43 12.332 -5.503 -1.556 1.00 0.00 C flip ATOM 205 CE1 HIS A 43 14.045 -6.709 -1.199 1.00 0.00 C flip ATOM 206 NE2 HIS A 43 13.091 -6.461 -2.049 1.00 0.00 N flip ATOM 0 H HIS A 43 14.371 -2.681 0.436 1.00 0.00 H new ATOM 0 HA HIS A 43 11.834 -2.605 -0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.596 -4.158 1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.110 -4.321 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.464 -5.081 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.825 -7.445 -1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.954 -6.929 -2.945 1.00 0.00 H new ATOM 215 N ARG A 44 11.145 -0.651 0.502 1.00 0.00 N ATOM 216 CA ARG A 44 10.498 0.337 1.289 1.00 0.00 C ATOM 217 C ARG A 44 9.290 0.902 0.613 1.00 0.00 C ATOM 218 O ARG A 44 9.207 0.973 -0.611 1.00 0.00 O ATOM 219 CB ARG A 44 11.466 1.462 1.639 1.00 0.00 C ATOM 220 CG ARG A 44 12.165 2.103 0.443 1.00 0.00 C ATOM 221 CD ARG A 44 13.147 3.181 0.875 1.00 0.00 C ATOM 222 NE ARG A 44 13.838 3.785 -0.271 1.00 0.00 N ATOM 223 CZ ARG A 44 14.991 4.480 -0.206 1.00 0.00 C ATOM 224 NH1 ARG A 44 15.614 4.659 0.958 1.00 0.00 N ATOM 225 NH2 ARG A 44 15.516 4.998 -1.312 1.00 0.00 N ATOM 0 H ARG A 44 11.175 -0.438 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 44 10.166 -0.156 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.921 2.235 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.224 1.072 2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.693 1.336 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.420 2.536 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.615 3.956 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.881 2.751 1.556 1.00 0.00 H new ATOM 0 HE ARG A 44 13.411 3.669 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.219 4.268 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.486 5.187 0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.046 4.869 -2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.388 5.524 -1.264 1.00 0.00 H new ATOM 239 N CYS A 45 8.359 1.265 1.418 1.00 0.00 N ATOM 240 CA CYS A 45 7.177 1.961 0.981 1.00 0.00 C ATOM 241 C CYS A 45 7.440 3.426 1.198 1.00 0.00 C ATOM 242 O CYS A 45 7.631 3.850 2.339 1.00 0.00 O ATOM 243 CB CYS A 45 5.942 1.488 1.789 1.00 0.00 C ATOM 244 SG CYS A 45 4.388 2.474 1.567 1.00 0.00 S ATOM 0 H CYS A 45 8.386 1.089 2.422 1.00 0.00 H new ATOM 0 HA CYS A 45 6.962 1.760 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.732 0.453 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.203 1.494 2.847 1.00 0.00 H new ATOM 249 N LEU A 46 7.460 4.192 0.136 1.00 0.00 N ATOM 250 CA LEU A 46 7.764 5.616 0.230 1.00 0.00 C ATOM 251 C LEU A 46 6.716 6.364 1.016 1.00 0.00 C ATOM 252 O LEU A 46 7.032 7.290 1.753 1.00 0.00 O ATOM 253 CB LEU A 46 7.971 6.232 -1.148 1.00 0.00 C ATOM 254 CG LEU A 46 9.185 5.737 -1.920 1.00 0.00 C ATOM 255 CD1 LEU A 46 9.271 6.396 -3.283 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.471 5.960 -1.129 1.00 0.00 C ATOM 0 H LEU A 46 7.270 3.862 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 46 8.702 5.709 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.081 6.042 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.053 7.313 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 46 9.065 4.664 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.148 6.024 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.374 6.163 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.353 7.476 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.321 5.596 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.596 7.024 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.416 5.419 -0.184 1.00 0.00 H new ATOM 268 N ALA A 47 5.482 5.932 0.888 1.00 0.00 N ATOM 269 CA ALA A 47 4.370 6.538 1.610 1.00 0.00 C ATOM 270 C ALA A 47 4.503 6.338 3.126 1.00 0.00 C ATOM 271 O ALA A 47 3.940 7.101 3.911 1.00 0.00 O ATOM 272 CB ALA A 47 3.047 5.977 1.114 1.00 0.00 C ATOM 0 H ALA A 47 5.214 5.154 0.285 1.00 0.00 H new ATOM 0 HA ALA A 47 4.394 7.610 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.227 6.440 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.937 6.190 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.027 4.899 1.272 1.00 0.00 H new ATOM 278 N CYS A 48 5.244 5.318 3.535 1.00 0.00 N ATOM 279 CA CYS A 48 5.427 5.061 4.956 1.00 0.00 C ATOM 280 C CYS A 48 6.818 5.400 5.450 1.00 0.00 C ATOM 281 O CYS A 48 7.014 5.575 6.647 1.00 0.00 O ATOM 282 CB CYS A 48 5.002 3.631 5.356 1.00 0.00 C ATOM 283 SG CYS A 48 3.302 3.367 5.126 1.00 0.00 S ATOM 0 H CYS A 48 5.721 4.664 2.914 1.00 0.00 H new ATOM 0 HA CYS A 48 4.751 5.747 5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.564 2.908 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.257 3.456 6.401 1.00 0.00 H new ATOM 288 N ALA A 49 7.778 5.493 4.524 1.00 0.00 N ATOM 289 CA ALA A 49 9.186 5.784 4.847 1.00 0.00 C ATOM 290 C ALA A 49 9.758 4.690 5.751 1.00 0.00 C ATOM 291 O ALA A 49 10.771 4.880 6.425 1.00 0.00 O ATOM 292 CB ALA A 49 9.330 7.171 5.489 1.00 0.00 C ATOM 0 H ALA A 49 7.604 5.369 3.527 1.00 0.00 H new ATOM 0 HA ALA A 49 9.759 5.795 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.379 7.359 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.967 7.931 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.747 7.208 6.409 1.00 0.00 H new ATOM 298 N ARG A 50 9.141 3.528 5.705 1.00 0.00 N ATOM 299 CA ARG A 50 9.543 2.416 6.531 1.00 0.00 C ATOM 300 C ARG A 50 10.276 1.436 5.683 1.00 0.00 C ATOM 301 O ARG A 50 9.991 1.300 4.484 1.00 0.00 O ATOM 302 CB ARG A 50 8.337 1.699 7.153 1.00 0.00 C ATOM 303 CG ARG A 50 7.419 2.528 8.052 1.00 0.00 C ATOM 304 CD ARG A 50 8.100 3.091 9.304 1.00 0.00 C ATOM 305 NE ARG A 50 9.047 4.184 9.024 1.00 0.00 N ATOM 306 CZ ARG A 50 8.864 5.455 9.425 1.00 0.00 C ATOM 307 NH1 ARG A 50 7.737 5.802 10.047 1.00 0.00 N ATOM 308 NH2 ARG A 50 9.794 6.367 9.194 1.00 0.00 N ATOM 0 H ARG A 50 8.348 3.331 5.094 1.00 0.00 H new ATOM 0 HA ARG A 50 10.168 2.803 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.735 1.287 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.709 0.856 7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.012 3.356 7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.576 1.909 8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.335 3.453 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.629 2.285 9.812 1.00 0.00 H new ATOM 0 HE ARG A 50 9.891 3.964 8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.014 5.104 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.598 6.766 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.654 6.108 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.651 7.330 9.500 1.00 0.00 H new ATOM 322 N TYR A 51 11.197 0.760 6.284 1.00 0.00 N ATOM 323 CA TYR A 51 12.002 -0.179 5.630 1.00 0.00 C ATOM 324 C TYR A 51 11.570 -1.573 6.006 1.00 0.00 C ATOM 325 O TYR A 51 11.309 -1.868 7.182 1.00 0.00 O ATOM 326 CB TYR A 51 13.442 0.062 6.018 1.00 0.00 C ATOM 327 CG TYR A 51 13.991 1.378 5.520 1.00 0.00 C ATOM 328 CD1 TYR A 51 13.883 2.543 6.275 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.602 1.456 4.286 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.373 3.743 5.802 1.00 0.00 C ATOM 331 CE2 TYR A 51 15.099 2.646 3.810 1.00 0.00 C ATOM 332 CZ TYR A 51 14.982 3.785 4.567 1.00 0.00 C ATOM 333 OH TYR A 51 15.465 4.974 4.077 1.00 0.00 O ATOM 0 H TYR A 51 11.406 0.860 7.277 1.00 0.00 H new ATOM 0 HA TYR A 51 11.901 -0.074 4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.527 0.030 7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.056 -0.749 5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.409 2.507 7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.692 0.565 3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.280 4.641 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.580 2.685 2.844 1.00 0.00 H new ATOM 0 HH TYR A 51 16.228 4.799 3.487 1.00 0.00 H new ATOM 343 N PHE A 52 11.471 -2.411 5.020 1.00 0.00 N ATOM 344 CA PHE A 52 11.048 -3.767 5.208 1.00 0.00 C ATOM 345 C PHE A 52 12.192 -4.679 4.872 1.00 0.00 C ATOM 346 O PHE A 52 13.042 -4.326 4.048 1.00 0.00 O ATOM 347 CB PHE A 52 9.838 -4.073 4.319 1.00 0.00 C ATOM 348 CG PHE A 52 8.646 -3.193 4.602 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.598 -1.893 4.122 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.588 -3.658 5.357 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.523 -1.080 4.384 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.508 -2.844 5.623 1.00 0.00 C ATOM 353 CZ PHE A 52 6.478 -1.553 5.134 1.00 0.00 C ATOM 0 H PHE A 52 11.684 -2.171 4.052 1.00 0.00 H new ATOM 0 HA PHE A 52 10.751 -3.921 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.126 -3.956 3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.551 -5.116 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.420 -1.514 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.607 -4.667 5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.501 -0.071 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.685 -3.216 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.631 -0.916 5.343 1.00 0.00 H new ATOM 363 N ILE A 53 12.228 -5.829 5.499 1.00 0.00 N ATOM 364 CA ILE A 53 13.286 -6.773 5.304 1.00 0.00 C ATOM 365 C ILE A 53 13.245 -7.431 3.925 1.00 0.00 C ATOM 366 O ILE A 53 14.282 -7.758 3.361 1.00 0.00 O ATOM 367 CB ILE A 53 13.297 -7.841 6.408 1.00 0.00 C ATOM 368 CG1 ILE A 53 11.951 -8.579 6.487 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.666 -7.215 7.748 1.00 0.00 C ATOM 370 CD1 ILE A 53 11.903 -9.667 7.530 1.00 0.00 C ATOM 0 H ILE A 53 11.516 -6.133 6.163 1.00 0.00 H new ATOM 0 HA ILE A 53 14.213 -6.203 5.362 1.00 0.00 H new ATOM 0 HB ILE A 53 14.056 -8.582 6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.164 -7.855 6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.731 -9.015 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.670 -7.984 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.657 -6.765 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.936 -6.447 8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.920 -10.137 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.665 -10.415 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.089 -9.236 8.514 1.00 0.00 H new ATOM 382 N ASP A 54 12.066 -7.607 3.371 1.00 0.00 N ATOM 383 CA ASP A 54 11.959 -8.223 2.057 1.00 0.00 C ATOM 384 C ASP A 54 10.786 -7.681 1.295 1.00 0.00 C ATOM 385 O ASP A 54 9.996 -6.894 1.826 1.00 0.00 O ATOM 386 CB ASP A 54 11.887 -9.755 2.136 1.00 0.00 C ATOM 387 CG ASP A 54 10.711 -10.258 2.918 1.00 0.00 C ATOM 388 OD1 ASP A 54 9.602 -10.265 2.401 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.884 -10.641 4.062 1.00 0.00 O ATOM 0 H ASP A 54 11.179 -7.339 3.797 1.00 0.00 H new ATOM 0 HA ASP A 54 12.871 -7.966 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.842 -10.161 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.804 -10.131 2.591 1.00 0.00 H new ATOM 394 N SER A 55 10.667 -8.100 0.054 1.00 0.00 N ATOM 395 CA SER A 55 9.635 -7.618 -0.823 1.00 0.00 C ATOM 396 C SER A 55 8.305 -8.287 -0.512 1.00 0.00 C ATOM 397 O SER A 55 7.273 -7.702 -0.745 1.00 0.00 O ATOM 398 CB SER A 55 10.034 -7.854 -2.290 1.00 0.00 C ATOM 399 OG SER A 55 9.087 -7.310 -3.188 1.00 0.00 O ATOM 0 H SER A 55 11.288 -8.788 -0.372 1.00 0.00 H new ATOM 0 HA SER A 55 9.516 -6.546 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.010 -7.407 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.133 -8.924 -2.472 1.00 0.00 H new ATOM 0 HG SER A 55 9.376 -7.478 -4.109 1.00 0.00 H new ATOM 405 N THR A 56 8.335 -9.490 0.041 1.00 0.00 N ATOM 406 CA THR A 56 7.117 -10.195 0.360 1.00 0.00 C ATOM 407 C THR A 56 6.399 -9.456 1.500 1.00 0.00 C ATOM 408 O THR A 56 5.187 -9.218 1.441 1.00 0.00 O ATOM 409 CB THR A 56 7.420 -11.631 0.784 1.00 0.00 C ATOM 410 OG1 THR A 56 8.283 -12.253 -0.198 1.00 0.00 O ATOM 411 CG2 THR A 56 6.139 -12.444 0.897 1.00 0.00 C ATOM 0 H THR A 56 9.191 -9.992 0.275 1.00 0.00 H new ATOM 0 HA THR A 56 6.480 -10.228 -0.524 1.00 0.00 H new ATOM 0 HB THR A 56 7.910 -11.605 1.757 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.479 -13.174 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.380 -13.463 1.200 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.484 -11.990 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.634 -12.463 -0.069 1.00 0.00 H new ATOM 419 N ASN A 57 7.172 -9.067 2.514 1.00 0.00 N ATOM 420 CA ASN A 57 6.676 -8.291 3.620 1.00 0.00 C ATOM 421 C ASN A 57 6.173 -6.939 3.160 1.00 0.00 C ATOM 422 O ASN A 57 5.082 -6.508 3.528 1.00 0.00 O ATOM 423 CB ASN A 57 7.757 -8.127 4.704 1.00 0.00 C ATOM 424 CG ASN A 57 7.818 -9.263 5.723 1.00 0.00 C ATOM 425 OD1 ASN A 57 7.107 -9.248 6.723 1.00 0.00 O ATOM 426 ND2 ASN A 57 8.692 -10.203 5.535 1.00 0.00 N ATOM 0 H ASN A 57 8.165 -9.290 2.579 1.00 0.00 H new ATOM 0 HA ASN A 57 5.835 -8.833 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.729 -8.041 4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.581 -7.191 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.797 -10.947 6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.274 -10.198 4.697 1.00 0.00 H new ATOM 433 N LEU A 58 6.960 -6.296 2.343 1.00 0.00 N ATOM 434 CA LEU A 58 6.623 -5.003 1.804 1.00 0.00 C ATOM 435 C LEU A 58 5.368 -5.068 0.909 1.00 0.00 C ATOM 436 O LEU A 58 4.465 -4.247 1.029 1.00 0.00 O ATOM 437 CB LEU A 58 7.871 -4.407 1.103 1.00 0.00 C ATOM 438 CG LEU A 58 7.718 -3.120 0.305 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.152 -3.376 -1.056 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.905 -2.101 1.074 1.00 0.00 C ATOM 0 H LEU A 58 7.861 -6.655 2.028 1.00 0.00 H new ATOM 0 HA LEU A 58 6.347 -4.323 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.628 -4.233 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.267 -5.168 0.430 1.00 0.00 H new ATOM 0 HG LEU A 58 8.713 -2.701 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.058 -2.433 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.815 -4.043 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.170 -3.839 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.810 -1.190 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.914 -2.506 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.405 -1.872 2.015 1.00 0.00 H new ATOM 452 N LYS A 59 5.340 -6.017 0.031 1.00 0.00 N ATOM 453 CA LYS A 59 4.170 -6.244 -0.841 1.00 0.00 C ATOM 454 C LYS A 59 2.911 -6.555 -0.006 1.00 0.00 C ATOM 455 O LYS A 59 1.808 -6.087 -0.324 1.00 0.00 O ATOM 456 CB LYS A 59 4.445 -7.353 -1.868 1.00 0.00 C ATOM 457 CG LYS A 59 3.284 -7.625 -2.823 1.00 0.00 C ATOM 458 CD LYS A 59 3.619 -8.713 -3.841 1.00 0.00 C ATOM 459 CE LYS A 59 4.756 -8.300 -4.780 1.00 0.00 C ATOM 460 NZ LYS A 59 4.414 -7.102 -5.588 1.00 0.00 N ATOM 0 H LYS A 59 6.109 -6.669 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 59 3.985 -5.324 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.325 -7.082 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.686 -8.273 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.406 -7.924 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.024 -6.706 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.899 -9.626 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.731 -8.943 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.652 -8.096 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.993 -9.129 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.127 -6.971 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.478 -7.232 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.396 -6.263 -4.974 1.00 0.00 H new ATOM 474 N THR A 60 3.087 -7.327 1.066 1.00 0.00 N ATOM 475 CA THR A 60 2.011 -7.612 2.005 1.00 0.00 C ATOM 476 C THR A 60 1.527 -6.316 2.661 1.00 0.00 C ATOM 477 O THR A 60 0.339 -6.142 2.953 1.00 0.00 O ATOM 478 CB THR A 60 2.483 -8.600 3.079 1.00 0.00 C ATOM 479 OG1 THR A 60 2.781 -9.871 2.478 1.00 0.00 O ATOM 480 CG2 THR A 60 1.462 -8.775 4.182 1.00 0.00 C ATOM 0 H THR A 60 3.975 -7.768 1.304 1.00 0.00 H new ATOM 0 HA THR A 60 1.184 -8.063 1.457 1.00 0.00 H new ATOM 0 HB THR A 60 3.384 -8.186 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.692 -9.856 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.840 -9.483 4.919 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.278 -7.814 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.531 -9.153 3.760 1.00 0.00 H new ATOM 488 N HIS A 61 2.448 -5.417 2.851 1.00 0.00 N ATOM 489 CA HIS A 61 2.164 -4.119 3.395 1.00 0.00 C ATOM 490 C HIS A 61 1.199 -3.293 2.494 1.00 0.00 C ATOM 491 O HIS A 61 0.432 -2.476 2.995 1.00 0.00 O ATOM 492 CB HIS A 61 3.484 -3.372 3.704 1.00 0.00 C ATOM 493 CG HIS A 61 3.299 -1.935 3.988 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.779 -1.461 5.152 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.468 -0.867 3.194 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.625 -0.179 5.046 1.00 0.00 C ATOM 497 NE2 HIS A 61 3.038 0.196 3.892 1.00 0.00 N ATOM 0 H HIS A 61 3.432 -5.566 2.629 1.00 0.00 H new ATOM 0 HA HIS A 61 1.629 -4.254 4.335 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.966 -3.844 4.560 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.161 -3.482 2.856 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.549 -2.022 5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.870 -0.863 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.215 0.469 5.807 1.00 0.00 H new ATOM 505 N PHE A 62 1.223 -3.496 1.182 1.00 0.00 N ATOM 506 CA PHE A 62 0.291 -2.736 0.339 1.00 0.00 C ATOM 507 C PHE A 62 -0.943 -3.553 0.083 1.00 0.00 C ATOM 508 O PHE A 62 -1.882 -3.096 -0.569 1.00 0.00 O ATOM 509 CB PHE A 62 0.858 -2.328 -1.005 1.00 0.00 C ATOM 510 CG PHE A 62 2.207 -1.750 -0.983 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.483 -0.605 -0.271 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.208 -2.367 -1.675 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.750 -0.089 -0.252 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.466 -1.875 -1.666 1.00 0.00 C ATOM 515 CZ PHE A 62 4.766 -0.738 -0.963 1.00 0.00 C ATOM 0 H PHE A 62 1.841 -4.144 0.693 1.00 0.00 H new ATOM 0 HA PHE A 62 0.075 -1.824 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.870 -3.204 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.181 -1.604 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.694 -0.111 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.991 -3.262 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.964 0.810 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.243 -2.383 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.773 -0.348 -0.958 1.00 0.00 H new ATOM 525 N ARG A 63 -0.946 -4.775 0.592 1.00 0.00 N ATOM 526 CA ARG A 63 -2.055 -5.652 0.447 1.00 0.00 C ATOM 527 C ARG A 63 -3.193 -5.135 1.314 1.00 0.00 C ATOM 528 O ARG A 63 -4.365 -5.490 1.127 1.00 0.00 O ATOM 529 CB ARG A 63 -1.625 -7.065 0.801 1.00 0.00 C ATOM 530 CG ARG A 63 -2.659 -8.111 0.560 1.00 0.00 C ATOM 531 CD ARG A 63 -2.069 -9.499 0.719 1.00 0.00 C ATOM 532 NE ARG A 63 -0.973 -9.730 -0.248 1.00 0.00 N ATOM 533 CZ ARG A 63 -0.299 -10.873 -0.399 1.00 0.00 C ATOM 534 NH1 ARG A 63 -0.619 -11.938 0.324 1.00 0.00 N ATOM 535 NH2 ARG A 63 0.684 -10.950 -1.296 1.00 0.00 N ATOM 0 H ARG A 63 -0.166 -5.171 1.117 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.413 -5.682 -0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.735 -7.314 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.341 -7.091 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.485 -7.980 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.070 -7.998 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.693 -9.623 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.849 -10.247 0.574 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.710 -8.950 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.382 -11.886 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.102 -12.809 0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.920 -10.137 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.200 -11.822 -1.413 1.00 0.00 H new ATOM 549 N SER A 64 -2.833 -4.274 2.256 1.00 0.00 N ATOM 550 CA SER A 64 -3.777 -3.544 3.029 1.00 0.00 C ATOM 551 C SER A 64 -4.412 -2.494 2.091 1.00 0.00 C ATOM 552 O SER A 64 -3.819 -1.444 1.808 1.00 0.00 O ATOM 553 CB SER A 64 -3.059 -2.863 4.203 1.00 0.00 C ATOM 554 OG SER A 64 -2.306 -3.814 4.960 1.00 0.00 O ATOM 0 H SER A 64 -1.861 -4.074 2.493 1.00 0.00 H new ATOM 0 HA SER A 64 -4.547 -4.196 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.396 -2.084 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.790 -2.375 4.848 1.00 0.00 H new ATOM 0 HG SER A 64 -1.855 -3.359 5.702 1.00 0.00 H new ATOM 560 N LYS A 65 -5.579 -2.826 1.562 1.00 0.00 N ATOM 561 CA LYS A 65 -6.278 -1.997 0.568 1.00 0.00 C ATOM 562 C LYS A 65 -6.613 -0.594 1.057 1.00 0.00 C ATOM 563 O LYS A 65 -6.723 0.337 0.242 1.00 0.00 O ATOM 564 CB LYS A 65 -7.541 -2.686 -0.015 1.00 0.00 C ATOM 565 CG LYS A 65 -8.681 -3.008 0.972 1.00 0.00 C ATOM 566 CD LYS A 65 -8.317 -4.082 1.985 1.00 0.00 C ATOM 567 CE LYS A 65 -9.471 -4.358 2.927 1.00 0.00 C ATOM 568 NZ LYS A 65 -9.138 -5.395 3.917 1.00 0.00 N ATOM 0 H LYS A 65 -6.078 -3.681 1.806 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.553 -1.885 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.944 -2.047 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.231 -3.617 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.960 -2.098 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.558 -3.331 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.042 -4.999 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.445 -3.766 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.745 -3.438 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.342 -4.672 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.954 -5.553 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.901 -6.281 3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.323 -5.085 4.484 1.00 0.00 H new ATOM 582 N ASP A 66 -6.762 -0.422 2.367 1.00 0.00 N ATOM 583 CA ASP A 66 -7.095 0.894 2.910 1.00 0.00 C ATOM 584 C ASP A 66 -5.952 1.847 2.690 1.00 0.00 C ATOM 585 O ASP A 66 -6.149 3.019 2.455 1.00 0.00 O ATOM 586 CB ASP A 66 -7.426 0.836 4.396 1.00 0.00 C ATOM 587 CG ASP A 66 -7.909 2.189 4.938 1.00 0.00 C ATOM 588 OD1 ASP A 66 -9.122 2.492 4.805 1.00 0.00 O ATOM 589 OD2 ASP A 66 -7.090 2.957 5.498 1.00 0.00 O ATOM 0 H ASP A 66 -6.660 -1.161 3.062 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.982 1.245 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.196 0.083 4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.543 0.519 4.951 1.00 0.00 H new ATOM 594 N HIS A 67 -4.759 1.302 2.712 1.00 0.00 N ATOM 595 CA HIS A 67 -3.522 2.072 2.579 1.00 0.00 C ATOM 596 C HIS A 67 -3.424 2.765 1.267 1.00 0.00 C ATOM 597 O HIS A 67 -3.243 3.947 1.215 1.00 0.00 O ATOM 598 CB HIS A 67 -2.313 1.175 2.724 1.00 0.00 C ATOM 599 CG HIS A 67 -1.009 1.848 2.678 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.838 3.126 3.167 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.169 1.317 2.554 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.413 3.316 3.385 1.00 0.00 C ATOM 603 NE2 HIS A 67 1.053 2.255 3.041 1.00 0.00 N ATOM 0 H HIS A 67 -4.607 0.300 2.824 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.545 2.818 3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.392 0.641 3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.342 0.426 1.932 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.581 3.806 3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.407 0.343 2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.854 4.215 3.789 1.00 0.00 H new ATOM 611 N LYS A 68 -3.518 2.029 0.227 1.00 0.00 N ATOM 612 CA LYS A 68 -3.331 2.578 -1.093 1.00 0.00 C ATOM 613 C LYS A 68 -4.457 3.557 -1.427 1.00 0.00 C ATOM 614 O LYS A 68 -4.264 4.527 -2.161 1.00 0.00 O ATOM 615 CB LYS A 68 -3.193 1.460 -2.087 1.00 0.00 C ATOM 616 CG LYS A 68 -2.053 0.471 -1.736 1.00 0.00 C ATOM 617 CD LYS A 68 -1.942 -0.614 -2.805 1.00 0.00 C ATOM 618 CE LYS A 68 -1.611 -0.033 -4.176 1.00 0.00 C ATOM 619 NZ LYS A 68 -1.528 -1.075 -5.220 1.00 0.00 N ATOM 0 H LYS A 68 -3.725 1.031 0.247 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.408 3.156 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.135 0.914 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.009 1.881 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.108 1.009 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.245 0.015 -0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.170 -1.328 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.881 -1.165 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.372 0.696 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.662 0.501 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.301 -0.633 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.784 -1.757 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.441 -1.569 -5.291 1.00 0.00 H new ATOM 633 N LYS A 69 -5.608 3.305 -0.849 1.00 0.00 N ATOM 634 CA LYS A 69 -6.726 4.226 -0.907 1.00 0.00 C ATOM 635 C LYS A 69 -6.411 5.476 -0.063 1.00 0.00 C ATOM 636 O LYS A 69 -6.791 6.596 -0.404 1.00 0.00 O ATOM 637 CB LYS A 69 -7.964 3.557 -0.334 1.00 0.00 C ATOM 638 CG LYS A 69 -9.137 4.504 -0.161 1.00 0.00 C ATOM 639 CD LYS A 69 -10.296 3.846 0.583 1.00 0.00 C ATOM 640 CE LYS A 69 -9.855 3.381 1.956 1.00 0.00 C ATOM 641 NZ LYS A 69 -10.945 2.810 2.763 1.00 0.00 N ATOM 0 H LYS A 69 -5.799 2.453 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.899 4.510 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.261 2.738 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.716 3.118 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.811 5.389 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.479 4.841 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.120 4.552 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.669 2.998 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.069 2.635 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.419 4.223 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.581 2.544 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.702 3.515 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.324 1.966 2.287 1.00 0.00 H new ATOM 655 N ARG A 70 -5.710 5.266 1.042 1.00 0.00 N ATOM 656 CA ARG A 70 -5.351 6.329 1.964 1.00 0.00 C ATOM 657 C ARG A 70 -4.397 7.277 1.248 1.00 0.00 C ATOM 658 O ARG A 70 -4.340 8.434 1.543 1.00 0.00 O ATOM 659 CB ARG A 70 -4.648 5.737 3.184 1.00 0.00 C ATOM 660 CG ARG A 70 -4.838 6.499 4.474 1.00 0.00 C ATOM 661 CD ARG A 70 -6.271 6.348 4.945 1.00 0.00 C ATOM 662 NE ARG A 70 -6.494 6.931 6.254 1.00 0.00 N ATOM 663 CZ ARG A 70 -7.196 6.340 7.231 1.00 0.00 C ATOM 664 NH1 ARG A 70 -7.652 5.086 7.081 1.00 0.00 N ATOM 665 NH2 ARG A 70 -7.405 6.982 8.366 1.00 0.00 N ATOM 0 H ARG A 70 -5.373 4.346 1.324 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.246 6.859 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.005 4.717 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.581 5.675 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.153 6.124 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.602 7.553 4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.938 6.820 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.530 5.290 4.974 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.091 7.849 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.465 4.575 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.185 4.644 7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.033 7.923 8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.939 6.537 9.113 1.00 0.00 H new ATOM 679 N LEU A 71 -3.665 6.732 0.287 1.00 0.00 N ATOM 680 CA LEU A 71 -2.744 7.470 -0.552 1.00 0.00 C ATOM 681 C LEU A 71 -3.460 8.459 -1.463 1.00 0.00 C ATOM 682 O LEU A 71 -2.928 9.536 -1.780 1.00 0.00 O ATOM 683 CB LEU A 71 -1.866 6.495 -1.333 1.00 0.00 C ATOM 684 CG LEU A 71 -0.555 6.089 -0.654 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.763 5.485 0.715 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.269 5.171 -1.530 1.00 0.00 C ATOM 0 H LEU A 71 -3.699 5.737 0.067 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.102 8.074 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.445 5.593 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.630 6.942 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 71 0.005 7.013 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.202 5.218 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.260 6.209 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.382 4.592 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.191 4.906 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.300 4.266 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.510 5.679 -2.464 1.00 0.00 H new ATOM 698 N LYS A 72 -4.658 8.108 -1.860 1.00 0.00 N ATOM 699 CA LYS A 72 -5.499 9.013 -2.619 1.00 0.00 C ATOM 700 C LYS A 72 -5.849 10.189 -1.716 1.00 0.00 C ATOM 701 O LYS A 72 -5.671 11.345 -2.075 1.00 0.00 O ATOM 702 CB LYS A 72 -6.782 8.291 -3.058 1.00 0.00 C ATOM 703 CG LYS A 72 -7.786 9.158 -3.811 1.00 0.00 C ATOM 704 CD LYS A 72 -7.235 9.655 -5.133 1.00 0.00 C ATOM 705 CE LYS A 72 -8.255 10.518 -5.862 1.00 0.00 C ATOM 706 NZ LYS A 72 -7.770 10.930 -7.193 1.00 0.00 N ATOM 0 H LYS A 72 -5.078 7.198 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.978 9.359 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.507 7.447 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.270 7.881 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.696 8.585 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.064 10.011 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.326 10.230 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.960 8.806 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.188 9.965 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.476 11.403 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.492 11.516 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.893 11.479 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.583 10.086 -7.771 1.00 0.00 H new ATOM 720 N GLN A 73 -6.289 9.851 -0.520 1.00 0.00 N ATOM 721 CA GLN A 73 -6.671 10.810 0.513 1.00 0.00 C ATOM 722 C GLN A 73 -5.453 11.617 0.988 1.00 0.00 C ATOM 723 O GLN A 73 -5.574 12.773 1.378 1.00 0.00 O ATOM 724 CB GLN A 73 -7.312 10.045 1.664 1.00 0.00 C ATOM 725 CG GLN A 73 -8.565 9.300 1.237 1.00 0.00 C ATOM 726 CD GLN A 73 -9.104 8.372 2.295 1.00 0.00 C ATOM 727 OE1 GLN A 73 -8.691 7.136 2.251 1.00 0.00 O flip ATOM 728 NE2 GLN A 73 -9.906 8.757 3.126 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.396 8.880 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.387 11.526 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.592 9.335 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.561 10.741 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.336 10.024 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.347 8.724 0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.207 9.732 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.277 8.105 3.817 1.00 0.00 H new ATOM 737 N LEU A 74 -4.288 10.992 0.919 1.00 0.00 N ATOM 738 CA LEU A 74 -3.001 11.594 1.259 1.00 0.00 C ATOM 739 C LEU A 74 -2.686 12.742 0.315 1.00 0.00 C ATOM 740 O LEU A 74 -1.982 13.682 0.667 1.00 0.00 O ATOM 741 CB LEU A 74 -1.912 10.525 1.166 1.00 0.00 C ATOM 742 CG LEU A 74 -0.459 10.937 1.450 1.00 0.00 C ATOM 743 CD1 LEU A 74 -0.287 11.423 2.877 1.00 0.00 C ATOM 744 CD2 LEU A 74 0.486 9.782 1.155 1.00 0.00 C ATOM 0 H LEU A 74 -4.206 10.022 0.616 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.044 11.989 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.172 9.725 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.947 10.101 0.162 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.211 11.768 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.753 11.706 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.930 12.287 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.560 10.626 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.511 10.089 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.228 8.931 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.396 9.497 0.107 1.00 0.00 H new ATOM 756 N SER A 75 -3.237 12.672 -0.875 1.00 0.00 N ATOM 757 CA SER A 75 -3.033 13.691 -1.878 1.00 0.00 C ATOM 758 C SER A 75 -4.116 14.778 -1.756 1.00 0.00 C ATOM 759 O SER A 75 -4.145 15.754 -2.504 1.00 0.00 O ATOM 760 CB SER A 75 -3.053 13.040 -3.255 1.00 0.00 C ATOM 761 OG SER A 75 -2.071 11.995 -3.314 1.00 0.00 O ATOM 0 H SER A 75 -3.840 11.906 -1.175 1.00 0.00 H new ATOM 0 HA SER A 75 -2.066 14.172 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.043 12.633 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.850 13.786 -4.023 1.00 0.00 H new ATOM 0 HG SER A 75 -2.387 11.220 -2.804 1.00 0.00 H new ATOM 767 N VAL A 76 -4.986 14.596 -0.789 1.00 0.00 N ATOM 768 CA VAL A 76 -6.073 15.519 -0.515 1.00 0.00 C ATOM 769 C VAL A 76 -5.868 16.055 0.914 1.00 0.00 C ATOM 770 O VAL A 76 -6.717 16.748 1.477 1.00 0.00 O ATOM 771 CB VAL A 76 -7.428 14.762 -0.599 1.00 0.00 C ATOM 772 CG1 VAL A 76 -8.628 15.699 -0.504 1.00 0.00 C ATOM 773 CG2 VAL A 76 -7.516 13.896 -1.845 1.00 0.00 C ATOM 0 H VAL A 76 -4.962 13.793 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.084 16.335 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.462 14.105 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.549 15.119 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.600 16.231 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.594 16.418 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.478 13.384 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.420 14.523 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.713 13.159 -1.833 1.00 0.00 H new ATOM 783 N GLU A 77 -4.694 15.723 1.456 1.00 0.00 N ATOM 784 CA GLU A 77 -4.275 16.035 2.826 1.00 0.00 C ATOM 785 C GLU A 77 -5.039 15.131 3.797 1.00 0.00 C ATOM 786 O GLU A 77 -6.241 15.304 4.006 1.00 0.00 O ATOM 787 CB GLU A 77 -4.461 17.530 3.173 1.00 0.00 C ATOM 788 CG GLU A 77 -3.922 17.933 4.535 1.00 0.00 C ATOM 789 CD GLU A 77 -2.431 17.731 4.645 1.00 0.00 C ATOM 790 OE1 GLU A 77 -1.674 18.541 4.067 1.00 0.00 O ATOM 791 OE2 GLU A 77 -1.992 16.767 5.297 1.00 0.00 O ATOM 0 H GLU A 77 -3.983 15.211 0.935 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.206 15.842 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.968 18.131 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.523 17.770 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.159 18.981 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.423 17.351 5.308 1.00 0.00 H new ATOM 798 N PRO A 78 -4.361 14.132 4.374 1.00 0.00 N ATOM 799 CA PRO A 78 -5.004 13.162 5.248 1.00 0.00 C ATOM 800 C PRO A 78 -5.410 13.780 6.574 1.00 0.00 C ATOM 801 O PRO A 78 -4.557 14.234 7.366 1.00 0.00 O ATOM 802 CB PRO A 78 -3.938 12.084 5.449 1.00 0.00 C ATOM 803 CG PRO A 78 -2.640 12.782 5.233 1.00 0.00 C ATOM 804 CD PRO A 78 -2.909 13.892 4.248 1.00 0.00 C ATOM 0 HA PRO A 78 -5.927 12.771 4.820 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.994 11.655 6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.068 11.264 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.253 13.181 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.889 12.093 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.334 14.787 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.638 13.600 3.233 1.00 0.00 H new ATOM 812 N TYR A 79 -6.689 13.836 6.816 1.00 0.00 N ATOM 813 CA TYR A 79 -7.179 14.387 8.036 1.00 0.00 C ATOM 814 C TYR A 79 -7.093 13.422 9.180 1.00 0.00 C ATOM 815 O TYR A 79 -7.917 12.531 9.339 1.00 0.00 O ATOM 816 CB TYR A 79 -8.564 15.008 7.909 1.00 0.00 C ATOM 817 CG TYR A 79 -8.568 16.330 7.182 1.00 0.00 C ATOM 818 CD1 TYR A 79 -8.274 17.495 7.872 1.00 0.00 C ATOM 819 CD2 TYR A 79 -8.857 16.423 5.829 1.00 0.00 C ATOM 820 CE1 TYR A 79 -8.266 18.715 7.251 1.00 0.00 C ATOM 821 CE2 TYR A 79 -8.854 17.653 5.188 1.00 0.00 C ATOM 822 CZ TYR A 79 -8.553 18.796 5.910 1.00 0.00 C ATOM 823 OH TYR A 79 -8.554 20.024 5.286 1.00 0.00 O ATOM 0 H TYR A 79 -7.411 13.503 6.177 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.506 15.212 8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.218 14.312 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.983 15.149 8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.045 17.439 8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.087 15.529 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.035 19.609 7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.084 17.719 4.135 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.775 19.909 4.338 1.00 0.00 H new ATOM 833 N SER A 80 -6.060 13.587 9.933 1.00 0.00 N ATOM 834 CA SER A 80 -5.834 12.862 11.116 1.00 0.00 C ATOM 835 C SER A 80 -5.676 13.930 12.176 1.00 0.00 C ATOM 836 O SER A 80 -4.889 14.871 11.988 1.00 0.00 O ATOM 837 CB SER A 80 -4.567 12.002 10.964 1.00 0.00 C ATOM 838 OG SER A 80 -4.362 11.152 12.080 1.00 0.00 O ATOM 0 H SER A 80 -5.324 14.262 9.724 1.00 0.00 H new ATOM 0 HA SER A 80 -6.637 12.168 11.367 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.645 11.399 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.701 12.652 10.840 1.00 0.00 H new ATOM 0 HG SER A 80 -3.549 10.623 11.943 1.00 0.00 H new ATOM 844 N GLN A 81 -6.458 13.829 13.233 1.00 0.00 N ATOM 845 CA GLN A 81 -6.574 14.857 14.303 1.00 0.00 C ATOM 846 C GLN A 81 -6.816 16.274 13.761 1.00 0.00 C ATOM 847 O GLN A 81 -6.587 17.258 14.458 1.00 0.00 O ATOM 848 CB GLN A 81 -5.492 14.828 15.461 1.00 0.00 C ATOM 849 CG GLN A 81 -3.982 15.022 15.154 1.00 0.00 C ATOM 850 CD GLN A 81 -3.234 13.746 14.764 1.00 0.00 C ATOM 851 OE1 GLN A 81 -2.749 13.022 15.631 1.00 0.00 O ATOM 852 NE2 GLN A 81 -3.046 13.513 13.511 1.00 0.00 N ATOM 0 H GLN A 81 -7.054 13.017 13.395 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.481 14.536 14.816 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.773 15.599 16.179 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.593 13.868 15.968 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.881 15.746 14.346 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.501 15.454 16.031 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.459 14.128 12.810 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.484 12.713 13.220 1.00 0.00 H new ATOM 861 N GLU A 82 -7.374 16.342 12.519 1.00 0.00 N ATOM 862 CA GLU A 82 -7.666 17.610 11.811 1.00 0.00 C ATOM 863 C GLU A 82 -6.386 18.381 11.503 1.00 0.00 C ATOM 864 O GLU A 82 -6.425 19.584 11.212 1.00 0.00 O ATOM 865 CB GLU A 82 -8.654 18.494 12.608 1.00 0.00 C ATOM 866 CG GLU A 82 -10.100 17.992 12.667 1.00 0.00 C ATOM 867 CD GLU A 82 -10.260 16.611 13.246 1.00 0.00 C ATOM 868 OE1 GLU A 82 -10.316 16.469 14.486 1.00 0.00 O ATOM 869 OE2 GLU A 82 -10.343 15.641 12.460 1.00 0.00 O ATOM 0 H GLU A 82 -7.632 15.513 11.984 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.141 17.346 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.282 18.593 13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.654 19.492 12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.690 18.691 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.515 18.000 11.659 1.00 0.00 H new ATOM 876 N GLU A 83 -5.269 17.651 11.502 1.00 0.00 N ATOM 877 CA GLU A 83 -3.939 18.202 11.362 1.00 0.00 C ATOM 878 C GLU A 83 -3.653 19.130 12.522 1.00 0.00 C ATOM 879 O GLU A 83 -3.841 20.366 12.454 1.00 0.00 O ATOM 880 CB GLU A 83 -3.659 18.852 9.995 1.00 0.00 C ATOM 881 CG GLU A 83 -2.258 19.442 9.886 1.00 0.00 C ATOM 882 CD GLU A 83 -1.966 20.027 8.539 1.00 0.00 C ATOM 883 OE1 GLU A 83 -2.515 21.116 8.221 1.00 0.00 O ATOM 884 OE2 GLU A 83 -1.170 19.432 7.780 1.00 0.00 O ATOM 0 H GLU A 83 -5.275 16.636 11.602 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.239 17.367 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.794 18.107 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.392 19.639 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.137 20.215 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.526 18.664 10.104 1.00 0.00 H new ATOM 891 N ALA A 84 -3.258 18.525 13.592 1.00 0.00 N ATOM 892 CA ALA A 84 -3.024 19.204 14.809 1.00 0.00 C ATOM 893 C ALA A 84 -1.707 18.759 15.394 1.00 0.00 C ATOM 894 O ALA A 84 -1.553 17.613 15.839 1.00 0.00 O ATOM 895 CB ALA A 84 -4.173 18.952 15.773 1.00 0.00 C ATOM 0 H ALA A 84 -3.087 17.521 13.639 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.969 20.277 14.626 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.985 19.479 16.709 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.103 19.313 15.333 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.256 17.883 15.969 1.00 0.00 H new ATOM 901 N GLU A 85 -0.759 19.637 15.336 1.00 0.00 N ATOM 902 CA GLU A 85 0.551 19.412 15.861 1.00 0.00 C ATOM 903 C GLU A 85 0.819 20.428 16.949 1.00 0.00 C ATOM 904 O GLU A 85 1.391 20.117 17.995 1.00 0.00 O ATOM 905 CB GLU A 85 1.585 19.564 14.747 1.00 0.00 C ATOM 906 CG GLU A 85 3.014 19.379 15.205 1.00 0.00 C ATOM 907 CD GLU A 85 4.011 19.626 14.109 1.00 0.00 C ATOM 908 OE1 GLU A 85 4.450 20.783 13.943 1.00 0.00 O ATOM 909 OE2 GLU A 85 4.378 18.670 13.399 1.00 0.00 O ATOM 0 H GLU A 85 -0.877 20.557 14.910 1.00 0.00 H new ATOM 0 HA GLU A 85 0.619 18.404 16.271 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.369 18.838 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.482 20.554 14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.216 20.057 16.034 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.141 18.365 15.584 1.00 0.00 H new ATOM 916 N ARG A 86 0.382 21.630 16.702 1.00 0.00 N ATOM 917 CA ARG A 86 0.585 22.711 17.595 1.00 0.00 C ATOM 918 C ARG A 86 -0.700 23.029 18.324 1.00 0.00 C ATOM 919 O ARG A 86 -1.593 23.672 17.776 1.00 0.00 O ATOM 920 CB ARG A 86 1.059 23.933 16.816 1.00 0.00 C ATOM 921 CG ARG A 86 1.318 25.160 17.659 1.00 0.00 C ATOM 922 CD ARG A 86 1.729 26.324 16.788 1.00 0.00 C ATOM 923 NE ARG A 86 2.034 27.508 17.574 1.00 0.00 N ATOM 924 CZ ARG A 86 1.812 28.763 17.185 1.00 0.00 C ATOM 925 NH1 ARG A 86 1.199 29.016 16.025 1.00 0.00 N ATOM 926 NH2 ARG A 86 2.194 29.766 17.964 1.00 0.00 N ATOM 0 H ARG A 86 -0.133 21.880 15.858 1.00 0.00 H new ATOM 0 HA ARG A 86 1.344 22.434 18.327 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.975 23.675 16.284 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.311 24.179 16.062 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.421 25.418 18.221 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.101 24.949 18.388 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.602 26.045 16.198 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.928 26.552 16.085 1.00 0.00 H new ATOM 0 HE ARG A 86 2.450 27.367 18.495 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.897 28.245 15.429 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.033 29.980 15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.654 29.574 18.854 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.028 30.729 17.673 1.00 0.00 H new ATOM 940 N ALA A 87 -0.821 22.544 19.522 1.00 0.00 N ATOM 941 CA ALA A 87 -1.963 22.867 20.342 1.00 0.00 C ATOM 942 C ALA A 87 -1.633 24.110 21.144 1.00 0.00 C ATOM 943 O ALA A 87 -2.527 24.883 21.540 1.00 0.00 O ATOM 944 CB ALA A 87 -2.319 21.703 21.257 1.00 0.00 C ATOM 0 H ALA A 87 -0.144 21.920 19.961 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.833 23.056 19.712 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.183 21.970 21.866 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.556 20.826 20.655 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.473 21.479 21.907 1.00 0.00 H new ATOM 950 N ALA A 88 -0.316 24.294 21.372 1.00 0.00 N ATOM 951 CA ALA A 88 0.253 25.437 22.090 1.00 0.00 C ATOM 952 C ALA A 88 -0.263 25.510 23.521 1.00 0.00 C ATOM 953 O ALA A 88 -0.192 26.560 24.170 1.00 0.00 O ATOM 954 CB ALA A 88 -0.020 26.735 21.338 1.00 0.00 C ATOM 0 H ALA A 88 0.392 23.633 21.052 1.00 0.00 H new ATOM 0 HA ALA A 88 1.332 25.295 22.142 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.411 27.572 21.888 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.430 26.683 20.346 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.096 26.880 21.241 1.00 0.00 H new ATOM 960 N GLY A 89 -0.727 24.388 24.019 1.00 0.00 N ATOM 961 CA GLY A 89 -1.248 24.315 25.350 1.00 0.00 C ATOM 962 C GLY A 89 -0.146 24.125 26.340 1.00 0.00 C ATOM 963 O GLY A 89 0.112 23.014 26.791 1.00 0.00 O ATOM 0 H GLY A 89 -0.751 23.505 23.508 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.797 25.228 25.581 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.956 23.489 25.424 1.00 0.00 H new ATOM 967 N MET A 90 0.528 25.201 26.650 1.00 0.00 N ATOM 968 CA MET A 90 1.620 25.180 27.589 1.00 0.00 C ATOM 969 C MET A 90 1.064 25.136 29.004 1.00 0.00 C ATOM 970 O MET A 90 1.633 24.493 29.901 1.00 0.00 O ATOM 971 CB MET A 90 2.496 26.419 27.392 1.00 0.00 C ATOM 972 CG MET A 90 3.743 26.547 28.293 1.00 0.00 C ATOM 973 SD MET A 90 5.145 25.442 27.883 1.00 0.00 S ATOM 974 CE MET A 90 4.549 23.791 28.264 1.00 0.00 C ATOM 0 H MET A 90 0.334 26.122 26.256 1.00 0.00 H new ATOM 0 HA MET A 90 2.234 24.295 27.422 1.00 0.00 H new ATOM 0 HB2 MET A 90 2.825 26.439 26.353 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.875 27.301 27.547 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.094 27.578 28.250 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.444 26.355 29.323 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.378 23.177 28.617 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.785 23.850 29.039 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.122 23.342 27.367 1.00 0.00 H new ATOM 984 N GLY A 91 -0.052 25.812 29.198 1.00 0.00 N ATOM 985 CA GLY A 91 -0.706 25.838 30.486 1.00 0.00 C ATOM 986 C GLY A 91 -0.064 26.825 31.421 1.00 0.00 C ATOM 987 O GLY A 91 -0.640 27.868 31.737 1.00 0.00 O ATOM 0 H GLY A 91 -0.525 26.353 28.474 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.757 26.094 30.354 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.673 24.843 30.930 1.00 0.00 H new ATOM 991 N SER A 92 1.124 26.510 31.842 1.00 0.00 N ATOM 992 CA SER A 92 1.876 27.339 32.730 1.00 0.00 C ATOM 993 C SER A 92 3.363 27.200 32.439 1.00 0.00 C ATOM 994 O SER A 92 3.867 26.077 32.241 1.00 0.00 O ATOM 995 CB SER A 92 1.547 26.979 34.183 1.00 0.00 C ATOM 996 OG SER A 92 1.659 25.579 34.398 1.00 0.00 O ATOM 0 H SER A 92 1.605 25.652 31.571 1.00 0.00 H new ATOM 0 HA SER A 92 1.604 28.383 32.574 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.222 27.509 34.855 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.536 27.308 34.423 1.00 0.00 H new ATOM 0 HG SER A 92 1.446 25.373 35.332 1.00 0.00 H new ATOM 1002 N TYR A 93 4.048 28.312 32.383 1.00 0.00 N ATOM 1003 CA TYR A 93 5.461 28.332 32.116 1.00 0.00 C ATOM 1004 C TYR A 93 6.130 29.338 32.997 1.00 0.00 C ATOM 1005 O TYR A 93 5.928 30.538 32.867 1.00 0.00 O ATOM 1006 CB TYR A 93 5.736 28.645 30.656 1.00 0.00 C ATOM 1007 CG TYR A 93 7.206 28.708 30.279 1.00 0.00 C ATOM 1008 CD1 TYR A 93 7.922 27.555 30.003 1.00 0.00 C ATOM 1009 CD2 TYR A 93 7.874 29.929 30.205 1.00 0.00 C ATOM 1010 CE1 TYR A 93 9.260 27.609 29.664 1.00 0.00 C ATOM 1011 CE2 TYR A 93 9.208 29.990 29.867 1.00 0.00 C ATOM 1012 CZ TYR A 93 9.896 28.828 29.599 1.00 0.00 C ATOM 1013 OH TYR A 93 11.236 28.887 29.261 1.00 0.00 O ATOM 0 H TYR A 93 3.638 29.235 32.522 1.00 0.00 H new ATOM 0 HA TYR A 93 5.866 27.343 32.330 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.251 27.888 30.040 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.272 29.601 30.411 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.426 26.597 30.054 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.337 30.842 30.416 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.804 26.700 29.451 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.711 30.944 29.813 1.00 0.00 H new ATOM 0 HH TYR A 93 11.532 29.821 29.259 1.00 0.00 H new ATOM 1023 N VAL A 94 6.885 28.845 33.885 1.00 0.00 N ATOM 1024 CA VAL A 94 7.631 29.639 34.831 1.00 0.00 C ATOM 1025 C VAL A 94 8.989 28.993 35.011 1.00 0.00 C ATOM 1026 O VAL A 94 9.099 28.034 35.805 1.00 0.00 O ATOM 1027 CB VAL A 94 6.909 29.764 36.224 1.00 0.00 C ATOM 1028 CG1 VAL A 94 7.739 30.589 37.197 1.00 0.00 C ATOM 1029 CG2 VAL A 94 5.520 30.381 36.084 1.00 0.00 C ATOM 0 H VAL A 94 7.024 27.841 33.999 1.00 0.00 H new ATOM 0 HA VAL A 94 7.720 30.652 34.438 1.00 0.00 H new ATOM 0 HB VAL A 94 6.799 28.753 36.617 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.217 30.660 38.151 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.706 30.110 37.347 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.889 31.589 36.790 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.052 30.451 37.066 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.607 31.378 35.651 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.908 29.755 35.435 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.946 2.028 3.321 1.00 0.00 ZN