USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 Single : A 12 THR OG1 : rot 39:sc= 0.246 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.576 F(o=-4.4!,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0105 (180deg=-0.155) USER MOD Single : A 29 TYR OH : rot -138:sc= -1.39! USER MOD Single : A 31 SER OG : rot -96:sc= -0.204 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -164:sc= -1.12 (180deg=-1.85!) USER MOD Single : A 46 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-3.9!) USER MOD Single : A 51 SER OG : rot 131:sc= 1.26 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 179:sc= 1.24 USER MOD Single : A 62 SER OG : rot -26:sc= 0.271 USER MOD Single : A 63 ASN : amide:sc= -0.192 K(o=-0.19,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -3.441 -0.862 -10.814 1.00 0.00 N ATOM 40 CA PRO A 9 -3.079 -0.413 -9.466 1.00 0.00 C ATOM 41 C PRO A 9 -3.932 -1.116 -8.414 1.00 0.00 C ATOM 42 O PRO A 9 -5.156 -0.963 -8.376 1.00 0.00 O ATOM 43 CB PRO A 9 -3.372 1.094 -9.479 1.00 0.00 C ATOM 44 CG PRO A 9 -3.463 1.445 -10.918 1.00 0.00 C ATOM 45 CD PRO A 9 -4.034 0.240 -11.588 1.00 0.00 C ATOM 0 HA PRO A 9 -2.041 -0.636 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.301 1.322 -8.956 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.581 1.656 -8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.100 2.317 -11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.482 1.692 -11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.123 0.228 -11.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.758 0.191 -12.641 1.00 0.00 H new ATOM 53 N GLY A 10 -3.287 -1.905 -7.618 1.00 0.00 N ATOM 54 CA GLY A 10 -3.907 -2.672 -6.595 1.00 0.00 C ATOM 55 C GLY A 10 -2.899 -3.665 -6.131 1.00 0.00 C ATOM 56 O GLY A 10 -2.091 -4.093 -6.945 1.00 0.00 O ATOM 0 H GLY A 10 -2.277 -2.036 -7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.227 -2.032 -5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.798 -3.173 -6.974 1.00 0.00 H new ATOM 60 N ILE A 11 -2.905 -4.006 -4.841 1.00 0.00 N ATOM 61 CA ILE A 11 -1.914 -4.939 -4.255 1.00 0.00 C ATOM 62 C ILE A 11 -1.719 -6.191 -5.110 1.00 0.00 C ATOM 63 O ILE A 11 -2.560 -7.091 -5.130 1.00 0.00 O ATOM 64 CB ILE A 11 -2.267 -5.378 -2.799 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.448 -4.156 -1.889 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.187 -6.315 -2.231 1.00 0.00 C ATOM 67 CD1 ILE A 11 -2.703 -4.496 -0.447 1.00 0.00 C ATOM 0 H ILE A 11 -3.587 -3.652 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.985 -4.369 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.210 -5.923 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.555 -3.534 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.279 -3.558 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.456 -6.607 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.112 -7.205 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.227 -5.798 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.819 -3.578 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.613 -5.091 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.862 -5.066 -0.053 1.00 0.00 H new ATOM 79 N THR A 12 -0.657 -6.185 -5.850 1.00 0.00 N ATOM 80 CA THR A 12 -0.238 -7.295 -6.627 1.00 0.00 C ATOM 81 C THR A 12 0.814 -7.970 -5.757 1.00 0.00 C ATOM 82 O THR A 12 1.504 -7.270 -5.012 1.00 0.00 O ATOM 83 CB THR A 12 0.386 -6.767 -7.934 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.467 -5.736 -8.478 1.00 0.00 O ATOM 85 CG2 THR A 12 0.512 -7.870 -8.965 1.00 0.00 C ATOM 0 H THR A 12 -0.040 -5.377 -5.929 1.00 0.00 H new ATOM 0 HA THR A 12 -1.041 -7.980 -6.899 1.00 0.00 H new ATOM 0 HB THR A 12 1.379 -6.379 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.822 -5.186 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.955 -7.468 -9.876 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.147 -8.664 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.476 -8.273 -9.189 1.00 0.00 H new ATOM 93 N PHE A 13 0.947 -9.266 -5.799 1.00 0.00 N ATOM 94 CA PHE A 13 1.830 -9.919 -4.859 1.00 0.00 C ATOM 95 C PHE A 13 3.283 -9.876 -5.346 1.00 0.00 C ATOM 96 O PHE A 13 3.833 -10.879 -5.803 1.00 0.00 O ATOM 97 CB PHE A 13 1.355 -11.352 -4.574 1.00 0.00 C ATOM 98 CG PHE A 13 1.985 -11.982 -3.368 1.00 0.00 C ATOM 99 CD1 PHE A 13 1.432 -11.785 -2.117 1.00 0.00 C ATOM 100 CD2 PHE A 13 3.114 -12.767 -3.480 1.00 0.00 C ATOM 101 CE1 PHE A 13 1.997 -12.357 -1.006 1.00 0.00 C ATOM 102 CE2 PHE A 13 3.682 -13.342 -2.371 1.00 0.00 C ATOM 103 CZ PHE A 13 3.125 -13.139 -1.137 1.00 0.00 C ATOM 0 H PHE A 13 0.470 -9.884 -6.456 1.00 0.00 H new ATOM 0 HA PHE A 13 1.797 -9.373 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.273 -11.344 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.565 -11.972 -5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.547 -11.175 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.556 -12.931 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.560 -12.195 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.567 -13.953 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.570 -13.593 -0.264 1.00 0.00 H new ATOM 113 N GLU A 14 3.866 -8.687 -5.304 1.00 0.00 N ATOM 114 CA GLU A 14 5.241 -8.440 -5.718 1.00 0.00 C ATOM 115 C GLU A 14 5.803 -7.258 -4.948 1.00 0.00 C ATOM 116 O GLU A 14 5.116 -6.243 -4.769 1.00 0.00 O ATOM 117 CB GLU A 14 5.325 -8.096 -7.222 1.00 0.00 C ATOM 118 CG GLU A 14 4.895 -9.193 -8.180 1.00 0.00 C ATOM 119 CD GLU A 14 5.002 -8.769 -9.610 1.00 0.00 C ATOM 120 OE1 GLU A 14 6.109 -8.825 -10.176 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.980 -8.356 -10.205 1.00 0.00 O ATOM 0 H GLU A 14 3.387 -7.849 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 14 5.809 -9.349 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.709 -7.216 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.354 -7.820 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.512 -10.077 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.866 -9.479 -7.964 1.00 0.00 H new ATOM 128 N ILE A 15 7.015 -7.378 -4.484 1.00 0.00 N ATOM 129 CA ILE A 15 7.695 -6.260 -3.868 1.00 0.00 C ATOM 130 C ILE A 15 7.959 -5.226 -4.957 1.00 0.00 C ATOM 131 O ILE A 15 8.574 -5.536 -5.978 1.00 0.00 O ATOM 132 CB ILE A 15 9.029 -6.698 -3.199 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.744 -7.629 -2.009 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.848 -5.484 -2.751 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.981 -8.259 -1.414 1.00 0.00 C ATOM 0 H ILE A 15 7.559 -8.240 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 15 7.071 -5.841 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 15 9.619 -7.242 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.228 -7.063 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.066 -8.419 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.775 -5.821 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.080 -4.863 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.272 -4.903 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.697 -8.901 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.488 -8.854 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.652 -7.477 -1.058 1.00 0.00 H new ATOM 147 N GLY A 16 7.454 -4.039 -4.766 1.00 0.00 N ATOM 148 CA GLY A 16 7.579 -3.024 -5.769 1.00 0.00 C ATOM 149 C GLY A 16 6.318 -2.886 -6.597 1.00 0.00 C ATOM 150 O GLY A 16 6.248 -2.042 -7.486 1.00 0.00 O ATOM 0 H GLY A 16 6.953 -3.753 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.806 -2.070 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.418 -3.262 -6.423 1.00 0.00 H new ATOM 154 N ALA A 17 5.312 -3.708 -6.315 1.00 0.00 N ATOM 155 CA ALA A 17 4.057 -3.625 -7.046 1.00 0.00 C ATOM 156 C ALA A 17 3.262 -2.406 -6.619 1.00 0.00 C ATOM 157 O ALA A 17 3.411 -1.916 -5.480 1.00 0.00 O ATOM 158 CB ALA A 17 3.231 -4.879 -6.854 1.00 0.00 C ATOM 0 H ALA A 17 5.342 -4.430 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 17 4.298 -3.530 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.299 -4.789 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.789 -5.742 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.009 -5.010 -5.795 1.00 0.00 H new ATOM 164 N ARG A 18 2.447 -1.910 -7.527 1.00 0.00 N ATOM 165 CA ARG A 18 1.596 -0.765 -7.271 1.00 0.00 C ATOM 166 C ARG A 18 0.346 -1.167 -6.533 1.00 0.00 C ATOM 167 O ARG A 18 -0.532 -1.780 -7.109 1.00 0.00 O ATOM 168 CB ARG A 18 1.146 -0.092 -8.554 1.00 0.00 C ATOM 169 CG ARG A 18 2.214 0.546 -9.384 1.00 0.00 C ATOM 170 CD ARG A 18 1.578 1.119 -10.623 1.00 0.00 C ATOM 171 NE ARG A 18 2.528 1.767 -11.512 1.00 0.00 N ATOM 172 CZ ARG A 18 2.724 1.392 -12.779 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.241 0.223 -13.206 1.00 0.00 N ATOM 174 NH2 ARG A 18 3.448 2.144 -13.593 1.00 0.00 N ATOM 0 H ARG A 18 2.355 -2.291 -8.469 1.00 0.00 H new ATOM 0 HA ARG A 18 2.199 -0.079 -6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.635 -0.834 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.411 0.671 -8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.715 1.331 -8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.974 -0.188 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.071 0.321 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.815 1.840 -10.331 1.00 0.00 H new ATOM 0 HE ARG A 18 3.073 2.549 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.725 -0.380 -12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.388 -0.067 -14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.859 3.014 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.595 1.854 -14.560 1.00 0.00 H new ATOM 188 N LEU A 19 0.265 -0.830 -5.286 1.00 0.00 N ATOM 189 CA LEU A 19 -0.968 -1.063 -4.534 1.00 0.00 C ATOM 190 C LEU A 19 -1.764 0.224 -4.454 1.00 0.00 C ATOM 191 O LEU A 19 -1.247 1.271 -4.848 1.00 0.00 O ATOM 192 CB LEU A 19 -0.726 -1.680 -3.116 1.00 0.00 C ATOM 193 CG LEU A 19 0.150 -0.955 -2.048 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.576 -0.867 -2.461 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.368 0.416 -1.695 1.00 0.00 C ATOM 0 H LEU A 19 1.019 -0.396 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.544 -1.813 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.707 -1.836 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.286 -2.665 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 19 0.084 -1.574 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.148 -0.355 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.976 -1.871 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.651 -0.311 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.283 0.870 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.385 1.040 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.378 0.331 -1.293 1.00 0.00 H new ATOM 207 N GLU A 20 -2.989 0.194 -3.943 1.00 0.00 N ATOM 208 CA GLU A 20 -3.685 1.454 -3.799 1.00 0.00 C ATOM 209 C GLU A 20 -3.759 1.892 -2.365 1.00 0.00 C ATOM 210 O GLU A 20 -4.322 1.204 -1.529 1.00 0.00 O ATOM 211 CB GLU A 20 -5.054 1.457 -4.433 1.00 0.00 C ATOM 212 CG GLU A 20 -5.026 1.412 -5.943 1.00 0.00 C ATOM 213 CD GLU A 20 -6.319 1.879 -6.539 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.340 1.202 -6.386 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.346 2.968 -7.138 1.00 0.00 O ATOM 0 H GLU A 20 -3.493 -0.639 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.086 2.181 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.617 0.600 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.590 2.352 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.211 2.036 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.821 0.393 -6.272 1.00 0.00 H new ATOM 222 N ALA A 21 -3.156 3.011 -2.083 1.00 0.00 N ATOM 223 CA ALA A 21 -3.182 3.583 -0.767 1.00 0.00 C ATOM 224 C ALA A 21 -3.847 4.937 -0.837 1.00 0.00 C ATOM 225 O ALA A 21 -3.498 5.737 -1.681 1.00 0.00 O ATOM 226 CB ALA A 21 -1.768 3.727 -0.247 1.00 0.00 C ATOM 0 H ALA A 21 -2.628 3.556 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.741 2.936 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.790 4.162 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.294 2.746 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.200 4.377 -0.913 1.00 0.00 H new ATOM 232 N LEU A 22 -4.832 5.142 -0.004 1.00 0.00 N ATOM 233 CA LEU A 22 -5.539 6.411 0.133 1.00 0.00 C ATOM 234 C LEU A 22 -4.829 7.226 1.138 1.00 0.00 C ATOM 235 O LEU A 22 -4.994 7.063 2.344 1.00 0.00 O ATOM 236 CB LEU A 22 -7.008 6.130 0.527 1.00 0.00 C ATOM 237 CG LEU A 22 -8.020 7.278 0.707 1.00 0.00 C ATOM 238 CD1 LEU A 22 -7.967 7.905 2.093 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.844 8.339 -0.341 1.00 0.00 C ATOM 0 H LEU A 22 -5.183 4.417 0.621 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.557 6.967 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.418 5.460 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.985 5.576 1.465 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.004 6.824 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.702 8.707 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.189 7.147 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.971 8.311 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.575 9.132 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.838 8.754 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.991 7.903 -1.329 1.00 0.00 H new ATOM 251 N ASP A 23 -3.998 8.059 0.675 1.00 0.00 N ATOM 252 CA ASP A 23 -3.253 8.847 1.572 1.00 0.00 C ATOM 253 C ASP A 23 -4.086 9.994 2.000 1.00 0.00 C ATOM 254 O ASP A 23 -5.109 10.310 1.316 1.00 0.00 O ATOM 255 CB ASP A 23 -1.965 9.323 0.963 1.00 0.00 C ATOM 256 CG ASP A 23 -2.085 10.549 0.082 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.997 10.634 -0.745 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.244 11.445 0.217 1.00 0.00 O ATOM 0 H ASP A 23 -3.811 8.219 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.984 8.238 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.260 9.539 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.538 8.512 0.374 1.00 0.00 H new ATOM 263 N TYR A 24 -3.628 10.618 3.103 1.00 0.00 N ATOM 264 CA TYR A 24 -4.223 11.762 3.820 1.00 0.00 C ATOM 265 C TYR A 24 -4.536 12.944 2.905 1.00 0.00 C ATOM 266 O TYR A 24 -5.376 13.791 3.216 1.00 0.00 O ATOM 267 CB TYR A 24 -3.244 12.179 4.943 1.00 0.00 C ATOM 268 CG TYR A 24 -3.557 13.481 5.652 1.00 0.00 C ATOM 269 CD1 TYR A 24 -4.538 13.558 6.628 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.854 14.638 5.337 1.00 0.00 C ATOM 271 CE1 TYR A 24 -4.816 14.752 7.266 1.00 0.00 C ATOM 272 CE2 TYR A 24 -3.122 15.828 5.964 1.00 0.00 C ATOM 273 CZ TYR A 24 -4.105 15.884 6.929 1.00 0.00 C ATOM 274 OH TYR A 24 -4.376 17.083 7.568 1.00 0.00 O ATOM 0 H TYR A 24 -2.764 10.311 3.551 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.182 11.452 4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.215 11.382 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.244 12.253 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.094 12.671 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.081 14.599 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.585 14.798 8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.566 16.716 5.703 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.787 17.782 7.215 1.00 0.00 H new ATOM 284 N LEU A 25 -3.892 12.983 1.787 1.00 0.00 N ATOM 285 CA LEU A 25 -4.094 14.023 0.804 1.00 0.00 C ATOM 286 C LEU A 25 -5.295 13.657 -0.069 1.00 0.00 C ATOM 287 O LEU A 25 -5.688 14.380 -1.000 1.00 0.00 O ATOM 288 CB LEU A 25 -2.781 14.245 0.006 1.00 0.00 C ATOM 289 CG LEU A 25 -1.600 14.935 0.773 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.008 16.309 1.240 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.121 14.109 1.975 1.00 0.00 C ATOM 0 H LEU A 25 -3.197 12.288 1.515 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.328 14.977 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.434 13.277 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.014 14.847 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.771 15.013 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.177 16.775 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.277 16.921 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.865 16.226 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.303 14.630 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.945 13.975 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.775 13.134 1.632 1.00 0.00 H new ATOM 303 N GLN A 26 -5.843 12.510 0.264 1.00 0.00 N ATOM 304 CA GLN A 26 -7.031 11.946 -0.253 1.00 0.00 C ATOM 305 C GLN A 26 -6.864 11.501 -1.598 1.00 0.00 C ATOM 306 O GLN A 26 -7.480 12.009 -2.545 1.00 0.00 O ATOM 307 CB GLN A 26 -8.298 12.726 0.019 1.00 0.00 C ATOM 308 CG GLN A 26 -9.198 12.154 1.139 1.00 0.00 C ATOM 309 CD GLN A 26 -8.568 11.991 2.538 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.383 11.461 2.641 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 -9.239 12.213 3.537 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.416 11.909 0.968 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.210 11.048 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.026 13.749 0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.879 12.776 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.070 12.801 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.560 11.178 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.166 12.628 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.871 11.983 4.460 1.00 0.00 H new ATOM 320 N LYS A 27 -5.944 10.605 -1.721 1.00 0.00 N ATOM 321 CA LYS A 27 -5.720 10.002 -3.005 1.00 0.00 C ATOM 322 C LYS A 27 -5.553 8.552 -2.891 1.00 0.00 C ATOM 323 O LYS A 27 -4.684 8.103 -2.174 1.00 0.00 O ATOM 324 CB LYS A 27 -4.491 10.520 -3.721 1.00 0.00 C ATOM 325 CG LYS A 27 -4.505 11.966 -4.129 1.00 0.00 C ATOM 326 CD LYS A 27 -3.211 12.328 -4.825 1.00 0.00 C ATOM 327 CE LYS A 27 -3.221 13.756 -5.313 1.00 0.00 C ATOM 328 NZ LYS A 27 -4.211 13.972 -6.386 1.00 0.00 N ATOM 0 H LYS A 27 -5.341 10.274 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.608 10.265 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.628 10.357 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.339 9.916 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.348 12.155 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.643 12.597 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.376 12.183 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.051 11.656 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.441 14.422 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.229 14.020 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.047 14.899 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.115 13.225 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.170 13.945 -5.984 1.00 0.00 H new ATOM 342 N TRP A 28 -6.403 7.821 -3.558 1.00 0.00 N ATOM 343 CA TRP A 28 -6.180 6.420 -3.748 1.00 0.00 C ATOM 344 C TRP A 28 -5.162 6.307 -4.850 1.00 0.00 C ATOM 345 O TRP A 28 -5.509 6.291 -6.048 1.00 0.00 O ATOM 346 CB TRP A 28 -7.456 5.674 -4.137 1.00 0.00 C ATOM 347 CG TRP A 28 -8.428 5.470 -3.028 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.505 6.229 -2.723 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.387 4.417 -2.082 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.167 5.681 -1.632 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.477 4.553 -1.221 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.520 3.378 -1.903 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.706 3.638 -0.165 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.716 2.489 -0.892 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.791 2.598 -0.029 1.00 0.00 C ATOM 0 H TRP A 28 -7.260 8.178 -3.980 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.838 5.967 -2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.951 6.224 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.181 4.700 -4.542 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.804 7.124 -3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.018 6.048 -1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.676 3.261 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.549 3.742 0.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.015 1.678 -0.760 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.922 1.870 0.758 1.00 0.00 H new ATOM 366 N TYR A 29 -3.930 6.330 -4.481 1.00 0.00 N ATOM 367 CA TYR A 29 -2.889 6.372 -5.443 1.00 0.00 C ATOM 368 C TYR A 29 -2.058 5.102 -5.464 1.00 0.00 C ATOM 369 O TYR A 29 -1.957 4.390 -4.442 1.00 0.00 O ATOM 370 CB TYR A 29 -2.028 7.665 -5.302 1.00 0.00 C ATOM 371 CG TYR A 29 -1.330 7.942 -3.965 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.071 6.946 -3.026 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.888 9.222 -3.677 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.406 7.221 -1.850 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.211 9.495 -2.526 1.00 0.00 C ATOM 376 CZ TYR A 29 0.029 8.507 -1.615 1.00 0.00 C ATOM 377 OH TYR A 29 0.750 8.811 -0.478 1.00 0.00 O ATOM 0 H TYR A 29 -3.618 6.320 -3.510 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.363 6.421 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.261 7.638 -6.076 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.672 8.517 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.398 5.936 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.083 10.020 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.229 6.441 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.138 10.499 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 29 0.431 9.660 -0.106 1.00 0.00 H new ATOM 387 N PRO A 30 -1.481 4.769 -6.632 1.00 0.00 N ATOM 388 CA PRO A 30 -0.629 3.613 -6.774 1.00 0.00 C ATOM 389 C PRO A 30 0.677 3.807 -6.024 1.00 0.00 C ATOM 390 O PRO A 30 1.547 4.586 -6.433 1.00 0.00 O ATOM 391 CB PRO A 30 -0.375 3.501 -8.288 1.00 0.00 C ATOM 392 CG PRO A 30 -1.366 4.415 -8.917 1.00 0.00 C ATOM 393 CD PRO A 30 -1.629 5.488 -7.908 1.00 0.00 C ATOM 0 HA PRO A 30 -1.086 2.713 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.645 3.793 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.508 2.476 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.976 4.837 -9.843 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.283 3.883 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.919 6.310 -7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.626 5.915 -8.020 1.00 0.00 H new ATOM 401 N SER A 31 0.772 3.158 -4.912 1.00 0.00 N ATOM 402 CA SER A 31 1.934 3.211 -4.081 1.00 0.00 C ATOM 403 C SER A 31 2.735 1.948 -4.325 1.00 0.00 C ATOM 404 O SER A 31 2.333 1.128 -5.137 1.00 0.00 O ATOM 405 CB SER A 31 1.481 3.305 -2.647 1.00 0.00 C ATOM 406 OG SER A 31 0.577 4.364 -2.506 1.00 0.00 O ATOM 0 H SER A 31 0.030 2.562 -4.545 1.00 0.00 H new ATOM 0 HA SER A 31 2.559 4.075 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.011 2.370 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.340 3.458 -1.994 1.00 0.00 H new ATOM 0 HG SER A 31 1.054 5.162 -2.196 1.00 0.00 H new ATOM 412 N ARG A 32 3.837 1.760 -3.650 1.00 0.00 N ATOM 413 CA ARG A 32 4.644 0.587 -3.933 1.00 0.00 C ATOM 414 C ARG A 32 4.854 -0.261 -2.702 1.00 0.00 C ATOM 415 O ARG A 32 5.100 0.263 -1.610 1.00 0.00 O ATOM 416 CB ARG A 32 5.994 0.982 -4.465 1.00 0.00 C ATOM 417 CG ARG A 32 6.003 1.768 -5.739 1.00 0.00 C ATOM 418 CD ARG A 32 5.454 0.962 -6.896 1.00 0.00 C ATOM 419 NE ARG A 32 5.505 1.703 -8.153 1.00 0.00 N ATOM 420 CZ ARG A 32 5.703 1.148 -9.353 1.00 0.00 C ATOM 421 NH1 ARG A 32 5.919 -0.161 -9.461 1.00 0.00 N ATOM 422 NH2 ARG A 32 5.701 1.905 -10.438 1.00 0.00 N ATOM 0 H ARG A 32 4.195 2.377 -2.921 1.00 0.00 H new ATOM 0 HA ARG A 32 4.098 0.009 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.505 1.566 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.579 0.075 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.410 2.674 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.022 2.083 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.024 0.038 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.423 0.679 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 32 5.381 2.715 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.934 -0.746 -8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.069 -0.579 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.549 2.910 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.852 1.483 -11.354 1.00 0.00 H new ATOM 436 N ILE A 33 4.761 -1.559 -2.887 1.00 0.00 N ATOM 437 CA ILE A 33 5.007 -2.520 -1.830 1.00 0.00 C ATOM 438 C ILE A 33 6.489 -2.538 -1.473 1.00 0.00 C ATOM 439 O ILE A 33 7.342 -2.571 -2.351 1.00 0.00 O ATOM 440 CB ILE A 33 4.546 -3.956 -2.243 1.00 0.00 C ATOM 441 CG1 ILE A 33 3.020 -4.001 -2.413 1.00 0.00 C ATOM 442 CG2 ILE A 33 5.022 -5.016 -1.246 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.462 -5.363 -2.763 1.00 0.00 C ATOM 0 H ILE A 33 4.511 -1.982 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 33 4.425 -2.214 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 33 5.008 -4.190 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.555 -3.660 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.734 -3.295 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.681 -5.999 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.111 -5.008 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.614 -4.797 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.379 -5.298 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.893 -5.702 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.711 -6.072 -1.974 1.00 0.00 H new ATOM 455 N GLU A 34 6.775 -2.457 -0.206 1.00 0.00 N ATOM 456 CA GLU A 34 8.117 -2.550 0.292 1.00 0.00 C ATOM 457 C GLU A 34 8.314 -4.004 0.749 1.00 0.00 C ATOM 458 O GLU A 34 9.294 -4.648 0.409 1.00 0.00 O ATOM 459 CB GLU A 34 8.288 -1.572 1.472 1.00 0.00 C ATOM 460 CG GLU A 34 9.715 -1.079 1.757 1.00 0.00 C ATOM 461 CD GLU A 34 10.747 -2.167 1.993 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.735 -2.811 3.056 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.627 -2.369 1.112 1.00 0.00 O ATOM 0 H GLU A 34 6.072 -2.323 0.521 1.00 0.00 H new ATOM 0 HA GLU A 34 8.855 -2.288 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.658 -0.702 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.908 -2.055 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.044 -0.467 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.689 -0.431 2.633 1.00 0.00 H new ATOM 470 N LYS A 35 7.337 -4.525 1.476 1.00 0.00 N ATOM 471 CA LYS A 35 7.393 -5.900 1.957 1.00 0.00 C ATOM 472 C LYS A 35 5.978 -6.447 2.060 1.00 0.00 C ATOM 473 O LYS A 35 5.067 -5.708 2.390 1.00 0.00 O ATOM 474 CB LYS A 35 8.049 -5.960 3.346 1.00 0.00 C ATOM 475 CG LYS A 35 8.329 -7.382 3.814 1.00 0.00 C ATOM 476 CD LYS A 35 8.916 -7.448 5.204 1.00 0.00 C ATOM 477 CE LYS A 35 9.150 -8.893 5.603 1.00 0.00 C ATOM 478 NZ LYS A 35 9.691 -9.033 6.964 1.00 0.00 N ATOM 0 H LYS A 35 6.495 -4.017 1.747 1.00 0.00 H new ATOM 0 HA LYS A 35 7.984 -6.493 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.984 -5.400 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.400 -5.467 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.401 -7.954 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.015 -7.859 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.856 -6.897 5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.242 -6.971 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.210 -9.440 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.839 -9.353 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.830 -10.041 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.602 -8.536 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.024 -8.621 7.647 1.00 0.00 H new ATOM 492 N ILE A 36 5.802 -7.712 1.777 1.00 0.00 N ATOM 493 CA ILE A 36 4.504 -8.365 1.874 1.00 0.00 C ATOM 494 C ILE A 36 4.524 -9.494 2.892 1.00 0.00 C ATOM 495 O ILE A 36 5.175 -10.518 2.688 1.00 0.00 O ATOM 496 CB ILE A 36 4.000 -8.908 0.498 1.00 0.00 C ATOM 497 CG1 ILE A 36 5.185 -9.361 -0.395 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.081 -7.921 -0.200 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.800 -9.833 -1.781 1.00 0.00 C ATOM 0 H ILE A 36 6.554 -8.329 1.470 1.00 0.00 H new ATOM 0 HA ILE A 36 3.807 -7.596 2.207 1.00 0.00 H new ATOM 0 HB ILE A 36 3.396 -9.794 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.885 -8.531 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.715 -10.167 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.754 -8.339 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.212 -7.726 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.616 -6.988 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.696 -10.128 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.127 -10.686 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.299 -9.025 -2.315 1.00 0.00 H new ATOM 511 N ASP A 37 3.863 -9.287 4.003 1.00 0.00 N ATOM 512 CA ASP A 37 3.713 -10.328 4.999 1.00 0.00 C ATOM 513 C ASP A 37 2.320 -10.868 4.825 1.00 0.00 C ATOM 514 O ASP A 37 1.355 -10.117 4.922 1.00 0.00 O ATOM 515 CB ASP A 37 3.840 -9.773 6.426 1.00 0.00 C ATOM 516 CG ASP A 37 3.954 -10.860 7.475 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.062 -11.708 7.571 1.00 0.00 O ATOM 518 OD2 ASP A 37 4.931 -10.844 8.253 1.00 0.00 O ATOM 0 H ASP A 37 3.416 -8.403 4.245 1.00 0.00 H new ATOM 0 HA ASP A 37 4.488 -11.083 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.717 -9.128 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.972 -9.152 6.647 1.00 0.00 H new ATOM 523 N TYR A 38 2.204 -12.124 4.563 1.00 0.00 N ATOM 524 CA TYR A 38 0.916 -12.739 4.322 1.00 0.00 C ATOM 525 C TYR A 38 0.505 -13.635 5.459 1.00 0.00 C ATOM 526 O TYR A 38 -0.624 -14.116 5.519 1.00 0.00 O ATOM 527 CB TYR A 38 0.894 -13.489 2.990 1.00 0.00 C ATOM 528 CG TYR A 38 2.109 -14.352 2.704 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.202 -13.823 2.041 1.00 0.00 C ATOM 530 CD2 TYR A 38 2.154 -15.684 3.074 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.305 -14.592 1.749 1.00 0.00 C ATOM 532 CE2 TYR A 38 3.257 -16.465 2.791 1.00 0.00 C ATOM 533 CZ TYR A 38 4.330 -15.911 2.124 1.00 0.00 C ATOM 534 OH TYR A 38 5.431 -16.689 1.822 1.00 0.00 O ATOM 0 H TYR A 38 2.993 -12.767 4.506 1.00 0.00 H new ATOM 0 HA TYR A 38 0.183 -11.935 4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.007 -14.122 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.790 -12.761 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.189 -12.784 1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.313 -16.120 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.146 -14.159 1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.280 -17.503 3.090 1.00 0.00 H new ATOM 0 HH TYR A 38 5.291 -17.599 2.158 1.00 0.00 H new ATOM 544 N GLU A 39 1.401 -13.832 6.367 1.00 0.00 N ATOM 545 CA GLU A 39 1.150 -14.649 7.517 1.00 0.00 C ATOM 546 C GLU A 39 0.395 -13.806 8.532 1.00 0.00 C ATOM 547 O GLU A 39 -0.576 -14.248 9.144 1.00 0.00 O ATOM 548 CB GLU A 39 2.475 -15.112 8.057 1.00 0.00 C ATOM 549 CG GLU A 39 2.415 -16.022 9.252 1.00 0.00 C ATOM 550 CD GLU A 39 3.790 -16.382 9.716 1.00 0.00 C ATOM 551 OE1 GLU A 39 4.367 -17.370 9.205 1.00 0.00 O ATOM 552 OE2 GLU A 39 4.345 -15.657 10.562 1.00 0.00 O ATOM 0 H GLU A 39 2.338 -13.429 6.336 1.00 0.00 H new ATOM 0 HA GLU A 39 0.549 -15.526 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.011 -15.626 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.064 -14.234 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.870 -15.533 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.864 -16.927 8.998 1.00 0.00 H new ATOM 559 N GLU A 40 0.824 -12.578 8.654 1.00 0.00 N ATOM 560 CA GLU A 40 0.175 -11.601 9.490 1.00 0.00 C ATOM 561 C GLU A 40 -0.838 -10.902 8.610 1.00 0.00 C ATOM 562 O GLU A 40 -1.900 -10.482 9.047 1.00 0.00 O ATOM 563 CB GLU A 40 1.221 -10.597 9.989 1.00 0.00 C ATOM 564 CG GLU A 40 0.720 -9.541 10.957 1.00 0.00 C ATOM 565 CD GLU A 40 0.235 -10.115 12.257 1.00 0.00 C ATOM 566 OE1 GLU A 40 1.011 -10.805 12.938 1.00 0.00 O ATOM 567 OE2 GLU A 40 -0.918 -9.880 12.624 1.00 0.00 O ATOM 0 H GLU A 40 1.647 -12.222 8.168 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.305 -12.055 10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.026 -11.151 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.654 -10.093 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.522 -8.831 11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.091 -8.983 10.489 1.00 0.00 H new ATOM 574 N GLY A 41 -0.481 -10.828 7.341 1.00 0.00 N ATOM 575 CA GLY A 41 -1.305 -10.213 6.350 1.00 0.00 C ATOM 576 C GLY A 41 -1.239 -8.721 6.441 1.00 0.00 C ATOM 577 O GLY A 41 -2.256 -8.044 6.517 1.00 0.00 O ATOM 0 H GLY A 41 0.398 -11.199 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.986 -10.534 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.336 -10.542 6.476 1.00 0.00 H new ATOM 581 N LYS A 42 -0.024 -8.214 6.438 1.00 0.00 N ATOM 582 CA LYS A 42 0.247 -6.797 6.423 1.00 0.00 C ATOM 583 C LYS A 42 1.405 -6.547 5.502 1.00 0.00 C ATOM 584 O LYS A 42 2.330 -7.326 5.430 1.00 0.00 O ATOM 585 CB LYS A 42 0.506 -6.188 7.812 1.00 0.00 C ATOM 586 CG LYS A 42 1.627 -6.817 8.581 1.00 0.00 C ATOM 587 CD LYS A 42 1.912 -6.069 9.871 1.00 0.00 C ATOM 588 CE LYS A 42 3.094 -6.678 10.619 1.00 0.00 C ATOM 589 NZ LYS A 42 3.318 -6.016 11.919 1.00 0.00 N ATOM 0 H LYS A 42 0.818 -8.790 6.446 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.652 -6.295 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.719 -5.126 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.407 -6.265 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.376 -7.853 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.526 -6.835 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.121 -5.023 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.028 -6.089 10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.915 -7.741 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.993 -6.594 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.129 -6.457 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.514 -5.006 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.469 -6.118 12.511 1.00 0.00 H new ATOM 603 N MET A 43 1.320 -5.523 4.781 1.00 0.00 N ATOM 604 CA MET A 43 2.297 -5.183 3.817 1.00 0.00 C ATOM 605 C MET A 43 2.835 -3.817 4.105 1.00 0.00 C ATOM 606 O MET A 43 2.102 -2.934 4.552 1.00 0.00 O ATOM 607 CB MET A 43 1.676 -5.354 2.401 1.00 0.00 C ATOM 608 CG MET A 43 2.281 -4.581 1.228 1.00 0.00 C ATOM 609 SD MET A 43 1.863 -2.824 1.223 1.00 0.00 S ATOM 610 CE MET A 43 0.081 -2.889 1.390 1.00 0.00 C ATOM 0 H MET A 43 0.545 -4.862 4.834 1.00 0.00 H new ATOM 0 HA MET A 43 3.160 -5.848 3.860 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.714 -6.414 2.151 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.623 -5.080 2.468 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.365 -4.687 1.255 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.940 -5.029 0.295 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.345 -1.923 1.121 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.319 -3.658 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.179 -3.126 2.422 1.00 0.00 H new ATOM 620 N LEU A 44 4.111 -3.676 3.944 1.00 0.00 N ATOM 621 CA LEU A 44 4.748 -2.426 4.139 1.00 0.00 C ATOM 622 C LEU A 44 4.642 -1.650 2.860 1.00 0.00 C ATOM 623 O LEU A 44 5.120 -2.101 1.824 1.00 0.00 O ATOM 624 CB LEU A 44 6.209 -2.605 4.537 1.00 0.00 C ATOM 625 CG LEU A 44 6.991 -1.299 4.715 1.00 0.00 C ATOM 626 CD1 LEU A 44 6.321 -0.416 5.684 1.00 0.00 C ATOM 627 CD2 LEU A 44 8.352 -1.532 5.213 1.00 0.00 C ATOM 0 H LEU A 44 4.739 -4.432 3.672 1.00 0.00 H new ATOM 0 HA LEU A 44 4.260 -1.888 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.251 -3.167 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.706 -3.209 3.778 1.00 0.00 H new ATOM 0 HG LEU A 44 7.034 -0.839 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.894 0.505 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.319 -0.179 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.254 -0.919 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.867 -0.578 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.305 -2.033 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.896 -2.159 4.506 1.00 0.00 H new ATOM 639 N VAL A 45 4.001 -0.537 2.915 1.00 0.00 N ATOM 640 CA VAL A 45 3.800 0.268 1.758 1.00 0.00 C ATOM 641 C VAL A 45 4.640 1.530 1.796 1.00 0.00 C ATOM 642 O VAL A 45 4.786 2.179 2.862 1.00 0.00 O ATOM 643 CB VAL A 45 2.276 0.609 1.540 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.621 1.105 2.810 1.00 0.00 C ATOM 645 CG2 VAL A 45 2.093 1.645 0.444 1.00 0.00 C ATOM 0 H VAL A 45 3.597 -0.154 3.770 1.00 0.00 H new ATOM 0 HA VAL A 45 4.132 -0.322 0.904 1.00 0.00 H new ATOM 0 HB VAL A 45 1.792 -0.320 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.572 1.328 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.692 0.337 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.127 2.008 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.031 1.858 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.617 2.561 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.499 1.260 -0.492 1.00 0.00 H new ATOM 655 N HIS A 46 5.250 1.833 0.649 1.00 0.00 N ATOM 656 CA HIS A 46 5.897 3.085 0.459 1.00 0.00 C ATOM 657 C HIS A 46 5.044 3.949 -0.428 1.00 0.00 C ATOM 658 O HIS A 46 4.844 3.657 -1.627 1.00 0.00 O ATOM 659 CB HIS A 46 7.394 3.013 0.031 1.00 0.00 C ATOM 660 CG HIS A 46 7.820 2.351 -1.227 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.293 1.057 -1.257 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.036 2.855 -2.452 1.00 0.00 C ATOM 663 CE1 HIS A 46 8.789 0.803 -2.442 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.644 1.880 -3.186 1.00 0.00 N ATOM 0 H HIS A 46 5.297 1.207 -0.155 1.00 0.00 H new ATOM 0 HA HIS A 46 5.980 3.557 1.438 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.758 4.039 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.930 2.521 0.843 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.777 3.847 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.239 -0.128 -2.755 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.940 1.970 -4.158 1.00 0.00 H new ATOM 673 N PHE A 47 4.494 4.966 0.194 1.00 0.00 N ATOM 674 CA PHE A 47 3.526 5.872 -0.399 1.00 0.00 C ATOM 675 C PHE A 47 4.148 6.774 -1.441 1.00 0.00 C ATOM 676 O PHE A 47 5.369 6.833 -1.590 1.00 0.00 O ATOM 677 CB PHE A 47 2.865 6.724 0.699 1.00 0.00 C ATOM 678 CG PHE A 47 2.011 5.954 1.669 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.583 5.239 2.708 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.634 5.955 1.544 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.798 4.539 3.598 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.157 5.256 2.433 1.00 0.00 C ATOM 683 CZ PHE A 47 0.425 4.545 3.460 1.00 0.00 C ATOM 0 H PHE A 47 4.714 5.197 1.163 1.00 0.00 H new ATOM 0 HA PHE A 47 2.775 5.262 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.646 7.242 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.251 7.489 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.657 5.230 2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.172 6.510 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.257 3.986 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.231 5.266 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.192 3.994 4.155 1.00 0.00 H new ATOM 693 N GLU A 48 3.302 7.464 -2.160 1.00 0.00 N ATOM 694 CA GLU A 48 3.732 8.384 -3.188 1.00 0.00 C ATOM 695 C GLU A 48 3.973 9.762 -2.591 1.00 0.00 C ATOM 696 O GLU A 48 4.903 10.469 -2.976 1.00 0.00 O ATOM 697 CB GLU A 48 2.672 8.459 -4.296 1.00 0.00 C ATOM 698 CG GLU A 48 2.961 9.482 -5.384 1.00 0.00 C ATOM 699 CD GLU A 48 1.893 9.523 -6.440 1.00 0.00 C ATOM 700 OE1 GLU A 48 2.011 8.769 -7.434 1.00 0.00 O ATOM 701 OE2 GLU A 48 0.916 10.308 -6.304 1.00 0.00 O ATOM 0 H GLU A 48 2.290 7.406 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 48 4.667 8.025 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.577 7.476 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.709 8.693 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.058 10.469 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.918 9.250 -5.850 1.00 0.00 H new ATOM 708 N ARG A 49 3.154 10.137 -1.639 1.00 0.00 N ATOM 709 CA ARG A 49 3.246 11.458 -1.083 1.00 0.00 C ATOM 710 C ARG A 49 4.222 11.482 0.075 1.00 0.00 C ATOM 711 O ARG A 49 5.043 12.403 0.181 1.00 0.00 O ATOM 712 CB ARG A 49 1.839 11.964 -0.671 1.00 0.00 C ATOM 713 CG ARG A 49 1.713 13.468 -0.349 1.00 0.00 C ATOM 714 CD ARG A 49 2.288 13.870 1.010 1.00 0.00 C ATOM 715 NE ARG A 49 2.223 15.331 1.218 1.00 0.00 N ATOM 716 CZ ARG A 49 2.447 15.957 2.393 1.00 0.00 C ATOM 717 NH1 ARG A 49 2.474 15.274 3.525 1.00 0.00 N ATOM 718 NH2 ARG A 49 2.560 17.282 2.430 1.00 0.00 N ATOM 0 H ARG A 49 2.423 9.549 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 49 3.632 12.139 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.143 11.728 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.517 11.400 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.219 14.038 -1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.660 13.748 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.737 13.364 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.324 13.538 1.080 1.00 0.00 H new ATOM 0 HE ARG A 49 1.991 15.911 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.325 14.265 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.644 15.756 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.477 17.825 1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.729 17.755 3.318 1.00 0.00 H new ATOM 732 N TRP A 50 4.184 10.482 0.925 1.00 0.00 N ATOM 733 CA TRP A 50 5.007 10.548 2.093 1.00 0.00 C ATOM 734 C TRP A 50 5.878 9.307 2.271 1.00 0.00 C ATOM 735 O TRP A 50 5.522 8.210 1.816 1.00 0.00 O ATOM 736 CB TRP A 50 4.149 10.838 3.361 1.00 0.00 C ATOM 737 CG TRP A 50 3.506 9.636 4.061 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.147 8.682 4.818 1.00 0.00 C ATOM 739 CD2 TRP A 50 2.110 9.310 4.143 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.255 7.783 5.310 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.004 8.143 4.929 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.940 9.872 3.628 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.793 7.541 5.211 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.268 9.262 3.919 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.325 8.107 4.706 1.00 0.00 C ATOM 0 H TRP A 50 3.611 9.644 0.830 1.00 0.00 H new ATOM 0 HA TRP A 50 5.695 11.382 1.952 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.780 11.353 4.085 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.355 11.530 3.081 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.212 8.652 4.996 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.489 6.967 5.876 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.977 10.762 3.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.742 6.647 5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.183 9.685 3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.285 7.657 4.915 1.00 0.00 H new ATOM 756 N SER A 51 7.016 9.531 2.909 1.00 0.00 N ATOM 757 CA SER A 51 7.960 8.529 3.350 1.00 0.00 C ATOM 758 C SER A 51 9.174 9.259 3.914 1.00 0.00 C ATOM 759 O SER A 51 10.104 9.632 3.183 1.00 0.00 O ATOM 760 CB SER A 51 8.377 7.534 2.246 1.00 0.00 C ATOM 761 OG SER A 51 9.209 6.505 2.773 1.00 0.00 O ATOM 0 H SER A 51 7.319 10.476 3.145 1.00 0.00 H new ATOM 0 HA SER A 51 7.478 7.913 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.488 7.093 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.906 8.065 1.454 1.00 0.00 H new ATOM 0 HG SER A 51 8.875 5.632 2.479 1.00 0.00 H new ATOM 767 N HIS A 52 9.086 9.570 5.184 1.00 0.00 N ATOM 768 CA HIS A 52 10.135 10.258 5.921 1.00 0.00 C ATOM 769 C HIS A 52 10.664 9.302 6.974 1.00 0.00 C ATOM 770 O HIS A 52 11.847 9.318 7.332 1.00 0.00 O ATOM 771 CB HIS A 52 9.560 11.519 6.583 1.00 0.00 C ATOM 772 CG HIS A 52 10.577 12.422 7.214 1.00 0.00 C ATOM 773 ND1 HIS A 52 10.861 12.417 8.560 1.00 0.00 N ATOM 774 CD2 HIS A 52 11.348 13.385 6.676 1.00 0.00 C ATOM 775 CE1 HIS A 52 11.762 13.335 8.821 1.00 0.00 C ATOM 776 NE2 HIS A 52 12.073 13.937 7.694 1.00 0.00 N ATOM 0 H HIS A 52 8.268 9.350 5.753 1.00 0.00 H new ATOM 0 HA HIS A 52 10.941 10.562 5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 52 9.008 12.086 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.842 11.216 7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.386 13.668 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.176 13.557 9.793 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.748 14.695 7.596 1.00 0.00 H new ATOM 785 N ARG A 53 9.762 8.488 7.479 1.00 0.00 N ATOM 786 CA ARG A 53 10.092 7.397 8.377 1.00 0.00 C ATOM 787 C ARG A 53 10.217 6.139 7.536 1.00 0.00 C ATOM 788 O ARG A 53 10.140 6.224 6.302 1.00 0.00 O ATOM 789 CB ARG A 53 9.008 7.218 9.454 1.00 0.00 C ATOM 790 CG ARG A 53 7.602 7.065 8.908 1.00 0.00 C ATOM 791 CD ARG A 53 6.608 6.763 10.007 1.00 0.00 C ATOM 792 NE ARG A 53 5.228 6.882 9.530 1.00 0.00 N ATOM 793 CZ ARG A 53 4.241 6.020 9.781 1.00 0.00 C ATOM 794 NH1 ARG A 53 4.472 4.898 10.452 1.00 0.00 N ATOM 795 NH2 ARG A 53 3.016 6.292 9.353 1.00 0.00 N ATOM 0 H ARG A 53 8.765 8.565 7.276 1.00 0.00 H new ATOM 0 HA ARG A 53 11.026 7.609 8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.250 6.340 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.033 8.078 10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.309 7.980 8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.583 6.264 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.778 5.755 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.766 7.447 10.840 1.00 0.00 H new ATOM 0 HE ARG A 53 5.002 7.694 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.413 4.686 10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.708 4.248 10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.835 7.153 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.254 5.640 9.539 1.00 0.00 H new ATOM 809 N TYR A 54 10.376 4.986 8.158 1.00 0.00 N ATOM 810 CA TYR A 54 10.520 3.739 7.409 1.00 0.00 C ATOM 811 C TYR A 54 9.188 3.199 6.882 1.00 0.00 C ATOM 812 O TYR A 54 8.761 2.091 7.242 1.00 0.00 O ATOM 813 CB TYR A 54 11.294 2.669 8.201 1.00 0.00 C ATOM 814 CG TYR A 54 12.768 2.973 8.362 1.00 0.00 C ATOM 815 CD1 TYR A 54 13.205 3.949 9.239 1.00 0.00 C ATOM 816 CD2 TYR A 54 13.722 2.280 7.629 1.00 0.00 C ATOM 817 CE1 TYR A 54 14.538 4.233 9.383 1.00 0.00 C ATOM 818 CE2 TYR A 54 15.068 2.558 7.773 1.00 0.00 C ATOM 819 CZ TYR A 54 15.468 3.542 8.654 1.00 0.00 C ATOM 820 OH TYR A 54 16.810 3.837 8.805 1.00 0.00 O ATOM 0 H TYR A 54 10.409 4.880 9.172 1.00 0.00 H new ATOM 0 HA TYR A 54 11.118 3.989 6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.844 2.566 9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.184 1.708 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.481 4.499 9.822 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.408 1.513 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.855 5.002 10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 54 15.801 2.009 7.200 1.00 0.00 H new ATOM 0 HH TYR A 54 17.340 3.258 8.219 1.00 0.00 H new ATOM 830 N ASP A 55 8.542 4.015 6.041 1.00 0.00 N ATOM 831 CA ASP A 55 7.285 3.690 5.336 1.00 0.00 C ATOM 832 C ASP A 55 6.176 3.306 6.312 1.00 0.00 C ATOM 833 O ASP A 55 6.240 3.693 7.489 1.00 0.00 O ATOM 834 CB ASP A 55 7.538 2.609 4.282 1.00 0.00 C ATOM 835 CG ASP A 55 8.584 3.043 3.289 1.00 0.00 C ATOM 836 OD1 ASP A 55 8.395 4.068 2.612 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.661 2.407 3.213 1.00 0.00 O ATOM 0 H ASP A 55 8.886 4.950 5.822 1.00 0.00 H new ATOM 0 HA ASP A 55 6.935 4.583 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.858 1.689 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.609 2.384 3.759 1.00 0.00 H new ATOM 842 N GLU A 56 5.137 2.607 5.860 1.00 0.00 N ATOM 843 CA GLU A 56 4.058 2.243 6.785 1.00 0.00 C ATOM 844 C GLU A 56 3.478 0.844 6.517 1.00 0.00 C ATOM 845 O GLU A 56 3.253 0.465 5.375 1.00 0.00 O ATOM 846 CB GLU A 56 2.980 3.285 6.718 1.00 0.00 C ATOM 847 CG GLU A 56 1.754 2.984 7.563 1.00 0.00 C ATOM 848 CD GLU A 56 1.037 4.216 8.019 1.00 0.00 C ATOM 849 OE1 GLU A 56 0.440 4.923 7.207 1.00 0.00 O ATOM 850 OE2 GLU A 56 1.047 4.499 9.235 1.00 0.00 O ATOM 0 H GLU A 56 5.017 2.290 4.898 1.00 0.00 H new ATOM 0 HA GLU A 56 4.483 2.204 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.397 4.241 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.669 3.401 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.067 2.363 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.055 2.403 8.435 1.00 0.00 H new ATOM 857 N TRP A 57 3.266 0.087 7.579 1.00 0.00 N ATOM 858 CA TRP A 57 2.716 -1.260 7.498 1.00 0.00 C ATOM 859 C TRP A 57 1.197 -1.225 7.538 1.00 0.00 C ATOM 860 O TRP A 57 0.606 -0.640 8.458 1.00 0.00 O ATOM 861 CB TRP A 57 3.236 -2.120 8.656 1.00 0.00 C ATOM 862 CG TRP A 57 4.703 -2.423 8.596 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.740 -1.615 8.979 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.290 -3.641 8.136 1.00 0.00 C ATOM 865 NE1 TRP A 57 6.938 -2.262 8.774 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.686 -3.506 8.257 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.767 -4.832 7.629 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.562 -4.518 7.890 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.637 -5.835 7.268 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.018 -5.671 7.401 1.00 0.00 C ATOM 0 H TRP A 57 3.472 0.390 8.531 1.00 0.00 H new ATOM 0 HA TRP A 57 3.036 -1.697 6.552 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.021 -1.610 9.595 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.684 -3.060 8.670 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.634 -0.619 9.382 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.862 -1.878 8.974 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.700 -4.964 7.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.631 -4.398 7.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.247 -6.763 6.876 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.673 -6.478 7.109 1.00 0.00 H new ATOM 881 N ILE A 58 0.565 -1.846 6.556 1.00 0.00 N ATOM 882 CA ILE A 58 -0.890 -1.896 6.467 1.00 0.00 C ATOM 883 C ILE A 58 -1.361 -3.330 6.159 1.00 0.00 C ATOM 884 O ILE A 58 -0.808 -3.987 5.289 1.00 0.00 O ATOM 885 CB ILE A 58 -1.419 -0.992 5.320 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.946 0.470 5.455 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.942 -1.050 5.273 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.542 1.226 6.617 1.00 0.00 C ATOM 0 H ILE A 58 1.044 -2.331 5.797 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.274 -1.552 7.427 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.007 -1.377 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.139 0.478 5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.186 1.001 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.306 -0.414 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.262 -2.077 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.349 -0.701 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.150 2.243 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.627 1.256 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.281 0.725 7.549 1.00 0.00 H new ATOM 900 N TYR A 59 -2.392 -3.776 6.850 1.00 0.00 N ATOM 901 CA TYR A 59 -3.054 -5.080 6.652 1.00 0.00 C ATOM 902 C TYR A 59 -3.849 -5.202 5.317 1.00 0.00 C ATOM 903 O TYR A 59 -4.972 -5.743 5.295 1.00 0.00 O ATOM 904 CB TYR A 59 -3.977 -5.386 7.837 1.00 0.00 C ATOM 905 CG TYR A 59 -3.271 -5.866 9.085 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.622 -4.986 9.932 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.258 -7.210 9.412 1.00 0.00 C ATOM 908 CE1 TYR A 59 -1.981 -5.435 11.068 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.624 -7.667 10.543 1.00 0.00 C ATOM 910 CZ TYR A 59 -1.990 -6.778 11.367 1.00 0.00 C ATOM 911 OH TYR A 59 -1.344 -7.233 12.501 1.00 0.00 O ATOM 0 H TYR A 59 -2.819 -3.229 7.598 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.250 -5.814 6.591 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.543 -4.487 8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.699 -6.143 7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.617 -3.931 9.700 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.757 -7.916 8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.475 -4.737 11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.626 -8.721 10.779 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.459 -8.203 12.576 1.00 0.00 H new ATOM 921 N TRP A 60 -3.250 -4.712 4.228 1.00 0.00 N ATOM 922 CA TRP A 60 -3.739 -4.859 2.826 1.00 0.00 C ATOM 923 C TRP A 60 -5.001 -4.013 2.533 1.00 0.00 C ATOM 924 O TRP A 60 -5.064 -3.319 1.530 1.00 0.00 O ATOM 925 CB TRP A 60 -3.909 -6.368 2.425 1.00 0.00 C ATOM 926 CG TRP A 60 -2.635 -7.217 2.600 1.00 0.00 C ATOM 927 CD1 TRP A 60 -1.641 -7.017 3.507 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.244 -8.407 1.883 1.00 0.00 C ATOM 929 NE1 TRP A 60 -0.689 -7.978 3.412 1.00 0.00 N ATOM 930 CE2 TRP A 60 -1.018 -8.837 2.446 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.789 -9.154 0.838 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -0.344 -9.954 2.022 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -2.097 -10.279 0.413 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.891 -10.659 1.014 1.00 0.00 C ATOM 0 H TRP A 60 -2.381 -4.182 4.284 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.962 -4.448 2.181 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.708 -6.804 3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -4.227 -6.422 1.384 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.614 -6.199 4.211 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.149 -8.035 3.990 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.721 -8.865 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.587 -10.255 2.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.496 -10.872 -0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.384 -11.544 0.658 1.00 0.00 H new ATOM 945 N ASP A 61 -5.966 -4.087 3.416 1.00 0.00 N ATOM 946 CA ASP A 61 -7.174 -3.277 3.389 1.00 0.00 C ATOM 947 C ASP A 61 -7.847 -3.330 4.731 1.00 0.00 C ATOM 948 O ASP A 61 -8.725 -4.141 4.993 1.00 0.00 O ATOM 949 CB ASP A 61 -8.177 -3.572 2.221 1.00 0.00 C ATOM 950 CG ASP A 61 -8.687 -5.009 2.117 1.00 0.00 C ATOM 951 OD1 ASP A 61 -7.883 -5.966 2.097 1.00 0.00 O ATOM 952 OD2 ASP A 61 -9.933 -5.206 2.069 1.00 0.00 O ATOM 0 H ASP A 61 -5.938 -4.734 4.204 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.839 -2.263 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.036 -2.911 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.693 -3.311 1.280 1.00 0.00 H new ATOM 957 N SER A 62 -7.348 -2.520 5.617 1.00 0.00 N ATOM 958 CA SER A 62 -7.870 -2.442 6.952 1.00 0.00 C ATOM 959 C SER A 62 -8.138 -0.981 7.322 1.00 0.00 C ATOM 960 O SER A 62 -8.569 -0.682 8.445 1.00 0.00 O ATOM 961 CB SER A 62 -6.841 -3.062 7.916 1.00 0.00 C ATOM 962 OG SER A 62 -7.320 -3.140 9.252 1.00 0.00 O ATOM 0 H SER A 62 -6.565 -1.892 5.435 1.00 0.00 H new ATOM 0 HA SER A 62 -8.811 -2.988 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.580 -4.062 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.927 -2.469 7.896 1.00 0.00 H new ATOM 0 HG SER A 62 -7.998 -2.448 9.397 1.00 0.00 H new ATOM 968 N ASN A 63 -7.939 -0.077 6.364 1.00 0.00 N ATOM 969 CA ASN A 63 -8.023 1.355 6.635 1.00 0.00 C ATOM 970 C ASN A 63 -8.110 2.214 5.370 1.00 0.00 C ATOM 971 O ASN A 63 -9.185 2.694 5.020 1.00 0.00 O ATOM 972 CB ASN A 63 -6.905 1.842 7.598 1.00 0.00 C ATOM 973 CG ASN A 63 -5.505 1.326 7.283 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.165 1.041 6.131 1.00 0.00 O ATOM 975 ND2 ASN A 63 -4.692 1.201 8.304 1.00 0.00 N ATOM 0 H ASN A 63 -7.719 -0.311 5.396 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.972 1.496 7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.885 2.932 7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.166 1.541 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.742 0.858 8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.009 1.447 9.242 1.00 0.00 H new ATOM 982 N ARG A 64 -7.015 2.371 4.663 1.00 0.00 N ATOM 983 CA ARG A 64 -7.001 3.226 3.466 1.00 0.00 C ATOM 984 C ARG A 64 -6.314 2.490 2.324 1.00 0.00 C ATOM 985 O ARG A 64 -5.869 3.082 1.360 1.00 0.00 O ATOM 986 CB ARG A 64 -6.236 4.554 3.740 1.00 0.00 C ATOM 987 CG ARG A 64 -4.710 4.471 3.619 1.00 0.00 C ATOM 988 CD ARG A 64 -4.050 3.629 4.671 1.00 0.00 C ATOM 989 NE ARG A 64 -4.123 4.219 6.002 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.052 4.499 6.728 1.00 0.00 C ATOM 991 NH1 ARG A 64 -1.867 4.543 6.134 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.163 4.790 8.015 1.00 0.00 N ATOM 0 H ARG A 64 -6.122 1.928 4.881 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.032 3.460 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.598 5.312 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.486 4.897 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.457 4.069 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.298 5.479 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.520 2.646 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.004 3.477 4.404 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.042 4.426 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.791 4.363 5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.031 4.757 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.082 4.800 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.330 5.004 8.563 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.257 1.227 2.421 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.505 0.448 1.483 1.00 0.00 C ATOM 1008 C LEU A 65 -6.430 -0.409 0.640 1.00 0.00 C ATOM 1009 O LEU A 65 -7.513 -0.775 1.094 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.521 -0.405 2.272 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.037 -0.184 2.000 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.693 -0.519 0.582 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.628 1.241 2.319 1.00 0.00 C ATOM 0 H LEU A 65 -6.725 0.685 3.148 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.961 1.096 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.700 -0.233 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.749 -1.453 2.076 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.481 -0.854 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.629 -0.352 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.931 -1.565 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.269 0.116 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.565 1.369 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.201 1.931 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.823 1.449 3.371 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.051 -0.660 -0.591 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.807 -1.542 -1.433 1.00 0.00 C ATOM 1027 C ARG A 66 -5.886 -2.464 -2.228 1.00 0.00 C ATOM 1028 O ARG A 66 -4.860 -1.998 -2.869 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.740 -0.803 -2.415 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.742 -1.763 -3.062 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.532 -1.158 -4.204 1.00 0.00 C ATOM 1032 NE ARG A 66 -8.704 -0.889 -5.391 1.00 0.00 N ATOM 1033 CZ ARG A 66 -8.708 -1.607 -6.532 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -9.366 -2.771 -6.614 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -8.006 -1.171 -7.560 1.00 0.00 N ATOM 0 H ARG A 66 -5.220 -0.262 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.432 -2.124 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.277 -0.016 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.146 -0.319 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.205 -2.638 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.437 -2.113 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.342 -1.834 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.992 -0.228 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.072 -0.090 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.875 -3.127 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.358 -3.301 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.473 -0.305 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.996 -1.700 -8.432 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.191 -3.790 -2.164 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.562 -4.802 -2.980 1.00 0.00 C ATOM 1051 C PRO A 67 -6.069 -4.715 -4.407 1.00 0.00 C ATOM 1052 O PRO A 67 -6.815 -3.808 -4.755 1.00 0.00 O ATOM 1053 CB PRO A 67 -5.998 -6.138 -2.341 1.00 0.00 C ATOM 1054 CG PRO A 67 -6.619 -5.767 -1.045 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.167 -4.395 -1.241 1.00 0.00 C ATOM 0 HA PRO A 67 -4.478 -4.691 -3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.706 -6.667 -2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.145 -6.800 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.407 -6.469 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.885 -5.784 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.170 -4.416 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.231 -3.846 -0.302 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.678 -5.639 -5.222 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.086 -5.621 -6.591 1.00 0.00 C ATOM 1065 C LEU A 68 -7.425 -6.349 -6.691 1.00 0.00 C ATOM 1066 O LEU A 68 -8.133 -6.514 -5.687 1.00 0.00 O ATOM 1067 CB LEU A 68 -4.993 -6.310 -7.439 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.070 -6.129 -8.947 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -5.081 -4.658 -9.282 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -3.899 -6.820 -9.620 1.00 0.00 C ATOM 0 H LEU A 68 -5.074 -6.419 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.212 -4.605 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.023 -5.943 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.022 -7.378 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.991 -6.581 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.136 -4.531 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.946 -4.185 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.169 -4.193 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.967 -6.682 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.965 -6.390 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.922 -7.885 -9.388 1.00 0.00 H new ATOM 1082 N GLU A 69 -7.778 -6.764 -7.880 1.00 0.00 N ATOM 1083 CA GLU A 69 -8.974 -7.560 -8.102 1.00 0.00 C ATOM 1084 C GLU A 69 -8.807 -8.951 -7.472 1.00 0.00 C ATOM 1085 O GLU A 69 -9.766 -9.692 -7.346 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.235 -7.738 -9.602 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.122 -8.480 -10.336 1.00 0.00 C ATOM 1088 CD GLU A 69 -8.556 -8.983 -11.688 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.366 -9.938 -11.738 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -8.082 -8.477 -12.720 1.00 0.00 O ATOM 0 H GLU A 69 -7.248 -6.563 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.813 -7.037 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.171 -8.280 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.367 -6.757 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.266 -7.816 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.789 -9.322 -9.729 1.00 0.00 H new ATOM 1097 N ARG A 70 -7.562 -9.272 -7.100 1.00 0.00 N ATOM 1098 CA ARG A 70 -7.166 -10.565 -6.553 1.00 0.00 C ATOM 1099 C ARG A 70 -7.397 -11.669 -7.591 1.00 0.00 C ATOM 1100 O ARG A 70 -8.496 -12.217 -7.703 1.00 0.00 O ATOM 1101 CB ARG A 70 -7.855 -10.887 -5.210 1.00 0.00 C ATOM 1102 CG ARG A 70 -7.597 -9.857 -4.116 1.00 0.00 C ATOM 1103 CD ARG A 70 -8.153 -10.312 -2.778 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.592 -10.591 -2.826 1.00 0.00 N ATOM 1105 CZ ARG A 70 -10.240 -11.416 -1.993 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -9.582 -12.067 -1.038 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -11.543 -11.583 -2.132 1.00 0.00 N ATOM 0 H ARG A 70 -6.784 -8.617 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.100 -10.513 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.930 -10.965 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.514 -11.863 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.525 -9.683 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.052 -8.907 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.624 -11.209 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.961 -9.543 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.140 -10.122 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.575 -11.940 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.084 -12.693 -0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.045 -11.086 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.047 -12.209 -1.504 1.00 0.00 H new