USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 SER OG : rot 80:sc= 0.666 USER MOD Set 2.2: B 15 THR OG1 : rot 155:sc= 0.106 USER MOD Single : A 6 THR OG1 : rot 31:sc= 0.816 USER MOD Single : A 9 GLN : amide:sc= -0.146 K(o=-0.15,f=-2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.47! C(o=-3.5!,f=-6.1!) USER MOD Single : A 39 GLN : amide:sc= -0.572 K(o=-0.57,f=-3.6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 90:sc= 0.295 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -134:sc= -7.13! (180deg=-10!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -93:sc= 0.652 USER MOD Single : A 65 SER OG : rot 180:sc= -0.126 USER MOD Single : A 68 TYR OH : rot 30:sc= -5.09! USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -172:sc= 0.201 (180deg=0.151) USER MOD Single : B 22 GLN : amide:sc= -0.895 K(o=-0.89,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.958 -7.259 9.232 1.00 0.00 N ATOM 67 CA THR A 6 2.183 -7.204 10.081 1.00 0.00 C ATOM 68 C THR A 6 3.205 -8.238 9.603 1.00 0.00 C ATOM 69 O THR A 6 4.263 -7.896 9.111 1.00 0.00 O ATOM 70 CB THR A 6 1.699 -7.538 11.493 1.00 0.00 C ATOM 71 OG1 THR A 6 0.407 -6.980 11.693 1.00 0.00 O ATOM 72 CG2 THR A 6 2.672 -6.957 12.520 1.00 0.00 C ATOM 0 HA THR A 6 2.674 -6.232 10.038 1.00 0.00 H new ATOM 0 HB THR A 6 1.651 -8.620 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.076 -6.960 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.325 -7.196 13.525 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.662 -7.386 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.723 -5.875 12.401 1.00 0.00 H new ATOM 80 N ALA A 7 2.898 -9.499 9.738 1.00 0.00 N ATOM 81 CA ALA A 7 3.851 -10.551 9.285 1.00 0.00 C ATOM 82 C ALA A 7 4.042 -10.460 7.770 1.00 0.00 C ATOM 83 O ALA A 7 5.149 -10.470 7.270 1.00 0.00 O ATOM 84 CB ALA A 7 3.193 -11.878 9.666 1.00 0.00 C ATOM 0 H ALA A 7 2.028 -9.846 10.142 1.00 0.00 H new ATOM 0 HA ALA A 7 4.836 -10.445 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.837 -12.704 9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.041 -11.912 10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.231 -11.965 9.161 1.00 0.00 H new ATOM 90 N GLU A 8 2.967 -10.362 7.036 1.00 0.00 N ATOM 91 CA GLU A 8 3.084 -10.260 5.554 1.00 0.00 C ATOM 92 C GLU A 8 4.007 -9.097 5.186 1.00 0.00 C ATOM 93 O GLU A 8 4.756 -9.163 4.230 1.00 0.00 O ATOM 94 CB GLU A 8 1.660 -9.994 5.060 1.00 0.00 C ATOM 95 CG GLU A 8 1.464 -10.654 3.694 1.00 0.00 C ATOM 96 CD GLU A 8 0.335 -9.947 2.941 1.00 0.00 C ATOM 97 OE1 GLU A 8 0.621 -8.971 2.267 1.00 0.00 O ATOM 98 OE2 GLU A 8 -0.795 -10.393 3.052 1.00 0.00 O ATOM 0 H GLU A 8 2.014 -10.348 7.398 1.00 0.00 H new ATOM 0 HA GLU A 8 3.505 -11.160 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.936 -10.388 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.483 -8.921 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.388 -10.602 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.226 -11.710 3.820 1.00 0.00 H new ATOM 105 N GLN A 9 3.958 -8.031 5.938 1.00 0.00 N ATOM 106 CA GLN A 9 4.829 -6.860 5.632 1.00 0.00 C ATOM 107 C GLN A 9 6.306 -7.257 5.728 1.00 0.00 C ATOM 108 O GLN A 9 7.128 -6.813 4.950 1.00 0.00 O ATOM 109 CB GLN A 9 4.486 -5.822 6.700 1.00 0.00 C ATOM 110 CG GLN A 9 5.004 -4.451 6.262 1.00 0.00 C ATOM 111 CD GLN A 9 3.885 -3.683 5.557 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.861 -4.245 5.227 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.041 -2.411 5.309 1.00 0.00 N ATOM 0 H GLN A 9 3.352 -7.920 6.751 1.00 0.00 H new ATOM 0 HA GLN A 9 4.667 -6.479 4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.407 -5.784 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.933 -6.104 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.355 -3.890 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.856 -4.569 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.902 -1.939 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.302 -1.889 4.838 1.00 0.00 H new ATOM 122 N VAL A 10 6.650 -8.093 6.671 1.00 0.00 N ATOM 123 CA VAL A 10 8.075 -8.514 6.804 1.00 0.00 C ATOM 124 C VAL A 10 8.544 -9.160 5.500 1.00 0.00 C ATOM 125 O VAL A 10 9.567 -8.802 4.950 1.00 0.00 O ATOM 126 CB VAL A 10 8.087 -9.534 7.940 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.534 -9.852 8.324 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.355 -8.954 9.152 1.00 0.00 C ATOM 0 H VAL A 10 6.009 -8.501 7.352 1.00 0.00 H new ATOM 0 HA VAL A 10 8.740 -7.675 7.009 1.00 0.00 H new ATOM 0 HB VAL A 10 7.588 -10.447 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.544 -10.580 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.058 -10.263 7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.033 -8.939 8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.363 -9.681 9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.855 -8.042 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.325 -8.725 8.880 1.00 0.00 H new ATOM 138 N ILE A 11 7.798 -10.104 4.995 1.00 0.00 N ATOM 139 CA ILE A 11 8.194 -10.763 3.721 1.00 0.00 C ATOM 140 C ILE A 11 8.389 -9.697 2.645 1.00 0.00 C ATOM 141 O ILE A 11 9.402 -9.653 1.976 1.00 0.00 O ATOM 142 CB ILE A 11 7.025 -11.681 3.368 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.988 -12.858 4.344 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.204 -12.207 1.942 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.549 -13.364 4.480 1.00 0.00 C ATOM 0 H ILE A 11 6.932 -10.447 5.410 1.00 0.00 H new ATOM 0 HA ILE A 11 9.127 -11.321 3.803 1.00 0.00 H new ATOM 0 HB ILE A 11 6.091 -11.123 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.635 -13.660 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.370 -12.549 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.371 -12.862 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.231 -11.369 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.138 -12.765 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.522 -14.203 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.915 -12.561 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.184 -13.689 3.506 1.00 0.00 H new ATOM 157 N ALA A 12 7.434 -8.822 2.489 1.00 0.00 N ATOM 158 CA ALA A 12 7.578 -7.745 1.472 1.00 0.00 C ATOM 159 C ALA A 12 8.838 -6.941 1.784 1.00 0.00 C ATOM 160 O ALA A 12 9.581 -6.558 0.902 1.00 0.00 O ATOM 161 CB ALA A 12 6.329 -6.876 1.627 1.00 0.00 C ATOM 0 H ALA A 12 6.563 -8.807 3.020 1.00 0.00 H new ATOM 0 HA ALA A 12 7.669 -8.127 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.364 -6.058 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.440 -7.481 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.292 -6.469 2.638 1.00 0.00 H new ATOM 167 N SER A 13 9.093 -6.701 3.042 1.00 0.00 N ATOM 168 CA SER A 13 10.315 -5.942 3.424 1.00 0.00 C ATOM 169 C SER A 13 11.549 -6.777 3.083 1.00 0.00 C ATOM 170 O SER A 13 12.533 -6.273 2.578 1.00 0.00 O ATOM 171 CB SER A 13 10.203 -5.734 4.933 1.00 0.00 C ATOM 172 OG SER A 13 9.103 -4.877 5.209 1.00 0.00 O ATOM 0 H SER A 13 8.506 -6.999 3.821 1.00 0.00 H new ATOM 0 HA SER A 13 10.405 -4.991 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.067 -6.692 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.124 -5.299 5.321 1.00 0.00 H new ATOM 0 HG SER A 13 8.271 -5.393 5.180 1.00 0.00 H new ATOM 178 N PHE A 14 11.496 -8.057 3.339 1.00 0.00 N ATOM 179 CA PHE A 14 12.662 -8.927 3.013 1.00 0.00 C ATOM 180 C PHE A 14 12.830 -9.000 1.495 1.00 0.00 C ATOM 181 O PHE A 14 13.928 -8.941 0.976 1.00 0.00 O ATOM 182 CB PHE A 14 12.310 -10.300 3.584 1.00 0.00 C ATOM 183 CG PHE A 14 12.834 -10.406 4.995 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.189 -10.181 5.258 1.00 0.00 C ATOM 185 CD2 PHE A 14 11.962 -10.729 6.043 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.675 -10.279 6.568 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.447 -10.826 7.353 1.00 0.00 C ATOM 188 CZ PHE A 14 13.804 -10.602 7.615 1.00 0.00 C ATOM 0 H PHE A 14 10.699 -8.536 3.758 1.00 0.00 H new ATOM 0 HA PHE A 14 13.597 -8.551 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.230 -10.444 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.742 -11.085 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.861 -9.931 4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.916 -10.903 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.722 -10.105 6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.775 -11.074 8.161 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.179 -10.678 8.625 1.00 0.00 H new ATOM 198 N ARG A 15 11.745 -9.117 0.780 1.00 0.00 N ATOM 199 CA ARG A 15 11.833 -9.180 -0.706 1.00 0.00 C ATOM 200 C ARG A 15 12.606 -7.967 -1.227 1.00 0.00 C ATOM 201 O ARG A 15 13.464 -8.082 -2.079 1.00 0.00 O ATOM 202 CB ARG A 15 10.383 -9.139 -1.186 1.00 0.00 C ATOM 203 CG ARG A 15 10.203 -10.097 -2.365 1.00 0.00 C ATOM 204 CD ARG A 15 8.711 -10.267 -2.657 1.00 0.00 C ATOM 205 NE ARG A 15 8.648 -10.773 -4.057 1.00 0.00 N ATOM 206 CZ ARG A 15 8.863 -9.962 -5.058 1.00 0.00 C ATOM 207 NH1 ARG A 15 9.137 -8.704 -4.836 1.00 0.00 N ATOM 208 NH2 ARG A 15 8.804 -10.409 -6.282 1.00 0.00 N ATOM 0 H ARG A 15 10.800 -9.172 1.161 1.00 0.00 H new ATOM 0 HA ARG A 15 12.352 -10.071 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.713 -9.418 -0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.117 -8.125 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.715 -9.709 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.652 -11.063 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.250 -10.969 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.178 -9.322 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 15 8.436 -11.755 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.183 -8.353 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.305 -8.073 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.590 -11.391 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.972 -9.777 -7.065 1.00 0.00 H new ATOM 222 N ILE A 16 12.308 -6.803 -0.715 1.00 0.00 N ATOM 223 CA ILE A 16 13.026 -5.581 -1.172 1.00 0.00 C ATOM 224 C ILE A 16 14.521 -5.713 -0.877 1.00 0.00 C ATOM 225 O ILE A 16 15.357 -5.409 -1.704 1.00 0.00 O ATOM 226 CB ILE A 16 12.416 -4.437 -0.361 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.011 -4.135 -0.884 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.291 -3.190 -0.500 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.387 -3.013 -0.052 1.00 0.00 C ATOM 0 H ILE A 16 11.598 -6.647 0.000 1.00 0.00 H new ATOM 0 HA ILE A 16 12.926 -5.416 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 16 12.359 -4.725 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.057 -3.842 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.391 -5.030 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.856 -2.374 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.293 -3.405 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.348 -2.901 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.386 -2.798 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.327 -3.324 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.003 -2.117 -0.129 1.00 0.00 H new ATOM 241 N LEU A 17 14.865 -6.170 0.297 1.00 0.00 N ATOM 242 CA LEU A 17 16.307 -6.325 0.640 1.00 0.00 C ATOM 243 C LEU A 17 16.947 -7.377 -0.269 1.00 0.00 C ATOM 244 O LEU A 17 18.066 -7.225 -0.719 1.00 0.00 O ATOM 245 CB LEU A 17 16.322 -6.791 2.097 1.00 0.00 C ATOM 246 CG LEU A 17 16.518 -5.584 3.017 1.00 0.00 C ATOM 247 CD1 LEU A 17 17.955 -5.077 2.895 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.549 -4.471 2.611 1.00 0.00 C ATOM 0 H LEU A 17 14.211 -6.442 1.031 1.00 0.00 H new ATOM 0 HA LEU A 17 16.869 -5.401 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.387 -7.297 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.124 -7.513 2.251 1.00 0.00 H new ATOM 0 HG LEU A 17 16.323 -5.878 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.094 -4.217 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.646 -5.869 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.151 -4.783 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.688 -3.611 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.744 -4.177 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.524 -4.831 2.698 1.00 0.00 H new ATOM 260 N ALA A 18 16.244 -8.441 -0.545 1.00 0.00 N ATOM 261 CA ALA A 18 16.811 -9.501 -1.429 1.00 0.00 C ATOM 262 C ALA A 18 16.742 -9.056 -2.893 1.00 0.00 C ATOM 263 O ALA A 18 17.222 -9.734 -3.780 1.00 0.00 O ATOM 264 CB ALA A 18 15.927 -10.727 -1.198 1.00 0.00 C ATOM 0 H ALA A 18 15.302 -8.623 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 18 17.858 -9.709 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.281 -11.553 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.971 -11.015 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.898 -10.489 -1.466 1.00 0.00 H new ATOM 270 N SER A 19 16.151 -7.921 -3.152 1.00 0.00 N ATOM 271 CA SER A 19 16.053 -7.431 -4.557 1.00 0.00 C ATOM 272 C SER A 19 15.139 -8.346 -5.378 1.00 0.00 C ATOM 273 O SER A 19 15.564 -8.975 -6.327 1.00 0.00 O ATOM 274 CB SER A 19 17.483 -7.476 -5.094 1.00 0.00 C ATOM 275 OG SER A 19 17.743 -6.291 -5.834 1.00 0.00 O ATOM 0 H SER A 19 15.731 -7.311 -2.450 1.00 0.00 H new ATOM 0 HA SER A 19 15.628 -6.429 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.191 -7.567 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.618 -8.352 -5.728 1.00 0.00 H new ATOM 0 HG SER A 19 18.660 -6.315 -6.179 1.00 0.00 H new ATOM 281 N ASP A 20 13.886 -8.421 -5.022 1.00 0.00 N ATOM 282 CA ASP A 20 12.943 -9.291 -5.782 1.00 0.00 C ATOM 283 C ASP A 20 13.466 -10.730 -5.833 1.00 0.00 C ATOM 284 O ASP A 20 13.739 -11.264 -6.889 1.00 0.00 O ATOM 285 CB ASP A 20 12.892 -8.685 -7.185 1.00 0.00 C ATOM 286 CG ASP A 20 12.564 -7.196 -7.085 1.00 0.00 C ATOM 287 OD1 ASP A 20 13.470 -6.425 -6.816 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.410 -6.849 -7.279 1.00 0.00 O ATOM 0 H ASP A 20 13.474 -7.917 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 20 11.957 -9.333 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.849 -8.825 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.139 -9.195 -7.786 1.00 0.00 H new ATOM 293 N LYS A 21 13.603 -11.360 -4.699 1.00 0.00 N ATOM 294 CA LYS A 21 14.105 -12.763 -4.678 1.00 0.00 C ATOM 295 C LYS A 21 13.413 -13.547 -3.560 1.00 0.00 C ATOM 296 O LYS A 21 13.139 -13.012 -2.504 1.00 0.00 O ATOM 297 CB LYS A 21 15.606 -12.647 -4.405 1.00 0.00 C ATOM 298 CG LYS A 21 16.288 -11.945 -5.582 1.00 0.00 C ATOM 299 CD LYS A 21 17.808 -12.080 -5.447 1.00 0.00 C ATOM 300 CE LYS A 21 18.398 -12.568 -6.773 1.00 0.00 C ATOM 301 NZ LYS A 21 19.857 -12.720 -6.512 1.00 0.00 N ATOM 0 H LYS A 21 13.389 -10.963 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 21 13.905 -13.290 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.777 -12.087 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.037 -13.637 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.956 -12.384 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.006 -10.892 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.246 -11.120 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.052 -12.781 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.951 -13.514 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.213 -11.853 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.331 -13.052 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.256 -11.803 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.003 -13.412 -5.749 1.00 0.00 H new ATOM 315 N PRO A 22 13.155 -14.797 -3.832 1.00 0.00 N ATOM 316 CA PRO A 22 12.488 -15.636 -2.801 1.00 0.00 C ATOM 317 C PRO A 22 13.476 -15.981 -1.684 1.00 0.00 C ATOM 318 O PRO A 22 13.139 -16.657 -0.732 1.00 0.00 O ATOM 319 CB PRO A 22 12.058 -16.897 -3.549 1.00 0.00 C ATOM 320 CG PRO A 22 12.863 -16.910 -4.807 1.00 0.00 C ATOM 321 CD PRO A 22 13.205 -15.483 -5.129 1.00 0.00 C ATOM 0 HA PRO A 22 11.644 -15.131 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.247 -17.790 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.990 -16.879 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.768 -17.503 -4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.298 -17.363 -5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.193 -15.403 -5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.494 -15.053 -5.834 1.00 0.00 H new ATOM 329 N TYR A 23 14.693 -15.521 -1.792 1.00 0.00 N ATOM 330 CA TYR A 23 15.699 -15.825 -0.733 1.00 0.00 C ATOM 331 C TYR A 23 16.665 -14.650 -0.566 1.00 0.00 C ATOM 332 O TYR A 23 16.863 -13.861 -1.468 1.00 0.00 O ATOM 333 CB TYR A 23 16.445 -17.064 -1.231 1.00 0.00 C ATOM 334 CG TYR A 23 16.970 -16.810 -2.623 1.00 0.00 C ATOM 335 CD1 TYR A 23 18.064 -15.957 -2.814 1.00 0.00 C ATOM 336 CD2 TYR A 23 16.362 -17.425 -3.722 1.00 0.00 C ATOM 337 CE1 TYR A 23 18.551 -15.721 -4.104 1.00 0.00 C ATOM 338 CE2 TYR A 23 16.848 -17.190 -5.013 1.00 0.00 C ATOM 339 CZ TYR A 23 17.943 -16.337 -5.205 1.00 0.00 C ATOM 340 OH TYR A 23 18.422 -16.105 -6.478 1.00 0.00 O ATOM 0 H TYR A 23 15.034 -14.950 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 23 15.233 -15.994 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.269 -17.301 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.778 -17.926 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 23 18.532 -15.481 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.517 -18.081 -3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 23 19.396 -15.064 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.379 -17.666 -5.861 1.00 0.00 H new ATOM 0 HH TYR A 23 17.888 -16.610 -7.126 1.00 0.00 H new ATOM 350 N ILE A 24 17.265 -14.531 0.585 1.00 0.00 N ATOM 351 CA ILE A 24 18.219 -13.411 0.818 1.00 0.00 C ATOM 352 C ILE A 24 19.577 -13.970 1.256 1.00 0.00 C ATOM 353 O ILE A 24 19.653 -14.934 1.993 1.00 0.00 O ATOM 354 CB ILE A 24 17.570 -12.576 1.931 1.00 0.00 C ATOM 355 CG1 ILE A 24 18.075 -11.127 1.853 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.902 -13.171 3.303 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.495 -11.028 2.420 1.00 0.00 C ATOM 0 H ILE A 24 17.136 -15.162 1.376 1.00 0.00 H new ATOM 0 HA ILE A 24 18.404 -12.813 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 24 16.488 -12.588 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.065 -10.786 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.407 -10.471 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.436 -12.569 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.524 -14.192 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.983 -13.176 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.840 -9.996 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.494 -11.349 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.162 -11.669 1.844 1.00 0.00 H new ATOM 369 N LEU A 25 20.648 -13.376 0.811 1.00 0.00 N ATOM 370 CA LEU A 25 21.994 -13.878 1.207 1.00 0.00 C ATOM 371 C LEU A 25 22.352 -13.369 2.604 1.00 0.00 C ATOM 372 O LEU A 25 22.144 -12.216 2.928 1.00 0.00 O ATOM 373 CB LEU A 25 22.954 -13.302 0.166 1.00 0.00 C ATOM 374 CG LEU A 25 22.906 -14.150 -1.105 1.00 0.00 C ATOM 375 CD1 LEU A 25 21.872 -13.566 -2.071 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.287 -14.145 -1.768 1.00 0.00 C ATOM 0 H LEU A 25 20.651 -12.566 0.191 1.00 0.00 H new ATOM 0 HA LEU A 25 22.037 -14.967 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.682 -12.271 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.969 -13.283 0.564 1.00 0.00 H new ATOM 0 HG LEU A 25 22.626 -15.173 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.838 -14.171 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.890 -13.567 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.150 -12.544 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.257 -14.749 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.565 -13.122 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.023 -14.561 -1.079 1.00 0.00 H new ATOM 388 N ALA A 26 22.893 -14.218 3.433 1.00 0.00 N ATOM 389 CA ALA A 26 23.268 -13.781 4.809 1.00 0.00 C ATOM 390 C ALA A 26 24.315 -12.668 4.735 1.00 0.00 C ATOM 391 O ALA A 26 24.259 -11.701 5.467 1.00 0.00 O ATOM 392 CB ALA A 26 23.846 -15.027 5.478 1.00 0.00 C ATOM 0 H ALA A 26 23.092 -15.195 3.218 1.00 0.00 H new ATOM 0 HA ALA A 26 22.420 -13.383 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.146 -14.786 6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.091 -15.813 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 26 24.714 -15.372 4.916 1.00 0.00 H new ATOM 398 N GLU A 27 25.262 -12.794 3.848 1.00 0.00 N ATOM 399 CA GLU A 27 26.303 -11.738 3.720 1.00 0.00 C ATOM 400 C GLU A 27 25.634 -10.390 3.462 1.00 0.00 C ATOM 401 O GLU A 27 26.001 -9.381 4.030 1.00 0.00 O ATOM 402 CB GLU A 27 27.133 -12.153 2.508 1.00 0.00 C ATOM 403 CG GLU A 27 28.306 -13.027 2.956 1.00 0.00 C ATOM 404 CD GLU A 27 28.399 -14.259 2.054 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.854 -14.113 0.931 1.00 0.00 O ATOM 406 OE2 GLU A 27 28.014 -15.326 2.501 1.00 0.00 O ATOM 0 H GLU A 27 25.360 -13.582 3.207 1.00 0.00 H new ATOM 0 HA GLU A 27 26.912 -11.637 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.510 -12.700 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.504 -11.269 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 27 29.235 -12.459 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.170 -13.332 3.994 1.00 0.00 H new ATOM 413 N GLU A 28 24.645 -10.372 2.611 1.00 0.00 N ATOM 414 CA GLU A 28 23.939 -9.095 2.318 1.00 0.00 C ATOM 415 C GLU A 28 23.134 -8.661 3.541 1.00 0.00 C ATOM 416 O GLU A 28 23.118 -7.505 3.913 1.00 0.00 O ATOM 417 CB GLU A 28 23.015 -9.409 1.143 1.00 0.00 C ATOM 418 CG GLU A 28 22.190 -8.167 0.800 1.00 0.00 C ATOM 419 CD GLU A 28 21.264 -8.476 -0.377 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.893 -9.628 -0.526 1.00 0.00 O ATOM 421 OE2 GLU A 28 20.941 -7.554 -1.108 1.00 0.00 O ATOM 0 H GLU A 28 24.296 -11.187 2.106 1.00 0.00 H new ATOM 0 HA GLU A 28 24.625 -8.282 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.601 -9.720 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 28 22.355 -10.239 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 28 21.604 -7.857 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.851 -7.337 0.548 1.00 0.00 H new ATOM 428 N LEU A 29 22.474 -9.589 4.177 1.00 0.00 N ATOM 429 CA LEU A 29 21.681 -9.245 5.386 1.00 0.00 C ATOM 430 C LEU A 29 22.627 -8.717 6.466 1.00 0.00 C ATOM 431 O LEU A 29 22.339 -7.759 7.156 1.00 0.00 O ATOM 432 CB LEU A 29 21.030 -10.575 5.796 1.00 0.00 C ATOM 433 CG LEU A 29 20.924 -10.681 7.318 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.949 -9.624 7.835 1.00 0.00 C ATOM 435 CD2 LEU A 29 20.420 -12.076 7.696 1.00 0.00 C ATOM 0 H LEU A 29 22.451 -10.573 3.909 1.00 0.00 H new ATOM 0 HA LEU A 29 20.931 -8.471 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 29 20.038 -10.652 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.618 -11.407 5.409 1.00 0.00 H new ATOM 0 HG LEU A 29 21.904 -10.517 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.873 -9.699 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.311 -8.632 7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.967 -9.786 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.344 -12.154 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.439 -12.242 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.118 -12.827 7.327 1.00 0.00 H new ATOM 447 N ARG A 30 23.760 -9.342 6.604 1.00 0.00 N ATOM 448 CA ARG A 30 24.748 -8.893 7.625 1.00 0.00 C ATOM 449 C ARG A 30 25.220 -7.468 7.316 1.00 0.00 C ATOM 450 O ARG A 30 25.516 -6.696 8.207 1.00 0.00 O ATOM 451 CB ARG A 30 25.911 -9.880 7.501 1.00 0.00 C ATOM 452 CG ARG A 30 26.484 -10.176 8.888 1.00 0.00 C ATOM 453 CD ARG A 30 27.631 -9.204 9.186 1.00 0.00 C ATOM 454 NE ARG A 30 27.064 -8.228 10.157 1.00 0.00 N ATOM 455 CZ ARG A 30 26.903 -8.567 11.408 1.00 0.00 C ATOM 456 NH1 ARG A 30 27.245 -9.761 11.813 1.00 0.00 N ATOM 457 NH2 ARG A 30 26.398 -7.713 12.255 1.00 0.00 N ATOM 0 H ARG A 30 24.047 -10.149 6.051 1.00 0.00 H new ATOM 0 HA ARG A 30 24.327 -8.876 8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 30 25.569 -10.803 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.686 -9.465 6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.705 -10.078 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.844 -11.204 8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 30 28.491 -9.725 9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.972 -8.706 8.279 1.00 0.00 H new ATOM 0 HE ARG A 30 26.801 -7.293 9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.639 -10.431 11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 30 27.118 -10.024 12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 30 26.129 -6.781 11.940 1.00 0.00 H new ATOM 0 HH22 ARG A 30 26.272 -7.977 13.232 1.00 0.00 H new ATOM 471 N ARG A 31 25.311 -7.123 6.060 1.00 0.00 N ATOM 472 CA ARG A 31 25.785 -5.757 5.688 1.00 0.00 C ATOM 473 C ARG A 31 24.609 -4.807 5.419 1.00 0.00 C ATOM 474 O ARG A 31 24.742 -3.605 5.525 1.00 0.00 O ATOM 475 CB ARG A 31 26.592 -5.968 4.408 1.00 0.00 C ATOM 476 CG ARG A 31 27.974 -5.327 4.551 1.00 0.00 C ATOM 477 CD ARG A 31 28.488 -4.939 3.163 1.00 0.00 C ATOM 478 NE ARG A 31 28.292 -6.165 2.336 1.00 0.00 N ATOM 479 CZ ARG A 31 27.944 -6.079 1.076 1.00 0.00 C ATOM 480 NH1 ARG A 31 27.804 -4.915 0.497 1.00 0.00 N ATOM 481 NH2 ARG A 31 27.745 -7.169 0.388 1.00 0.00 N ATOM 0 H ARG A 31 25.077 -7.729 5.273 1.00 0.00 H new ATOM 0 HA ARG A 31 26.367 -5.301 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.695 -7.034 4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 31 26.065 -5.531 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.916 -4.447 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.665 -6.023 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.933 -4.093 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 31 29.537 -4.646 3.196 1.00 0.00 H new ATOM 0 HE ARG A 31 28.431 -7.083 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 27.966 -4.059 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 31 27.533 -4.863 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 31 27.861 -8.080 0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 31 27.474 -7.110 -0.594 1.00 0.00 H new ATOM 495 N GLU A 32 23.467 -5.324 5.053 1.00 0.00 N ATOM 496 CA GLU A 32 22.312 -4.421 4.765 1.00 0.00 C ATOM 497 C GLU A 32 21.630 -3.970 6.059 1.00 0.00 C ATOM 498 O GLU A 32 20.934 -2.975 6.083 1.00 0.00 O ATOM 499 CB GLU A 32 21.345 -5.254 3.924 1.00 0.00 C ATOM 500 CG GLU A 32 21.686 -5.092 2.441 1.00 0.00 C ATOM 501 CD GLU A 32 21.167 -3.743 1.940 1.00 0.00 C ATOM 502 OE1 GLU A 32 20.007 -3.677 1.571 1.00 0.00 O ATOM 503 OE2 GLU A 32 21.940 -2.799 1.933 1.00 0.00 O ATOM 0 H GLU A 32 23.283 -6.321 4.941 1.00 0.00 H new ATOM 0 HA GLU A 32 22.635 -3.517 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.409 -6.304 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 32 20.319 -4.936 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.765 -5.155 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 32 21.240 -5.902 1.864 1.00 0.00 H new ATOM 510 N LEU A 33 21.801 -4.694 7.129 1.00 0.00 N ATOM 511 CA LEU A 33 21.136 -4.296 8.398 1.00 0.00 C ATOM 512 C LEU A 33 22.166 -3.953 9.478 1.00 0.00 C ATOM 513 O LEU A 33 23.346 -4.200 9.319 1.00 0.00 O ATOM 514 CB LEU A 33 20.330 -5.527 8.800 1.00 0.00 C ATOM 515 CG LEU A 33 18.901 -5.395 8.273 1.00 0.00 C ATOM 516 CD1 LEU A 33 18.201 -6.751 8.343 1.00 0.00 C ATOM 517 CD2 LEU A 33 18.138 -4.383 9.127 1.00 0.00 C ATOM 0 H LEU A 33 22.369 -5.539 7.179 1.00 0.00 H new ATOM 0 HA LEU A 33 20.518 -3.407 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.796 -6.427 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.321 -5.630 9.885 1.00 0.00 H new ATOM 0 HG LEU A 33 18.926 -5.055 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.183 -6.655 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.746 -7.473 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.175 -7.094 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.119 -4.287 8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.115 -4.725 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.636 -3.415 9.076 1.00 0.00 H new ATOM 529 N PRO A 34 21.670 -3.393 10.550 1.00 0.00 N ATOM 530 CA PRO A 34 22.570 -3.019 11.675 1.00 0.00 C ATOM 531 C PRO A 34 23.312 -4.258 12.186 1.00 0.00 C ATOM 532 O PRO A 34 23.578 -5.171 11.430 1.00 0.00 O ATOM 533 CB PRO A 34 21.626 -2.469 12.743 1.00 0.00 C ATOM 534 CG PRO A 34 20.373 -2.100 12.020 1.00 0.00 C ATOM 535 CD PRO A 34 20.285 -2.978 10.804 1.00 0.00 C ATOM 0 HA PRO A 34 23.333 -2.295 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.429 -3.214 13.513 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.061 -1.603 13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.503 -2.243 12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.389 -1.048 11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.639 -3.838 10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.870 -2.438 9.953 1.00 0.00 H new ATOM 543 N PRO A 35 23.619 -4.257 13.457 1.00 0.00 N ATOM 544 CA PRO A 35 24.335 -5.442 14.006 1.00 0.00 C ATOM 545 C PRO A 35 23.343 -6.417 14.647 1.00 0.00 C ATOM 546 O PRO A 35 23.425 -7.614 14.460 1.00 0.00 O ATOM 547 CB PRO A 35 25.288 -4.874 15.059 1.00 0.00 C ATOM 548 CG PRO A 35 24.833 -3.473 15.303 1.00 0.00 C ATOM 549 CD PRO A 35 24.124 -3.016 14.062 1.00 0.00 C ATOM 0 HA PRO A 35 24.865 -5.998 13.232 1.00 0.00 H new ATOM 0 HB2 PRO A 35 25.253 -5.462 15.976 1.00 0.00 H new ATOM 0 HB3 PRO A 35 26.319 -4.895 14.706 1.00 0.00 H new ATOM 0 HG2 PRO A 35 24.167 -3.429 16.165 1.00 0.00 H new ATOM 0 HG3 PRO A 35 25.682 -2.825 15.522 1.00 0.00 H new ATOM 0 HD2 PRO A 35 23.312 -2.329 14.298 1.00 0.00 H new ATOM 0 HD3 PRO A 35 24.800 -2.491 13.388 1.00 0.00 H new ATOM 557 N ASP A 36 22.412 -5.912 15.409 1.00 0.00 N ATOM 558 CA ASP A 36 21.417 -6.805 16.072 1.00 0.00 C ATOM 559 C ASP A 36 20.511 -7.486 15.038 1.00 0.00 C ATOM 560 O ASP A 36 20.188 -8.652 15.157 1.00 0.00 O ATOM 561 CB ASP A 36 20.600 -5.876 16.969 1.00 0.00 C ATOM 562 CG ASP A 36 20.646 -6.385 18.412 1.00 0.00 C ATOM 563 OD1 ASP A 36 19.900 -7.299 18.721 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.425 -5.849 19.184 1.00 0.00 O ATOM 0 H ASP A 36 22.296 -4.917 15.602 1.00 0.00 H new ATOM 0 HA ASP A 36 21.899 -7.607 16.631 1.00 0.00 H new ATOM 0 HB2 ASP A 36 20.997 -4.862 16.917 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.568 -5.832 16.621 1.00 0.00 H new ATOM 569 N GLN A 37 20.085 -6.768 14.034 1.00 0.00 N ATOM 570 CA GLN A 37 19.187 -7.375 13.007 1.00 0.00 C ATOM 571 C GLN A 37 19.941 -8.399 12.155 1.00 0.00 C ATOM 572 O GLN A 37 19.451 -9.475 11.882 1.00 0.00 O ATOM 573 CB GLN A 37 18.727 -6.202 12.144 1.00 0.00 C ATOM 574 CG GLN A 37 17.407 -5.657 12.688 1.00 0.00 C ATOM 575 CD GLN A 37 17.643 -5.030 14.063 1.00 0.00 C ATOM 576 OE1 GLN A 37 18.688 -4.466 14.315 1.00 0.00 O ATOM 577 NE2 GLN A 37 16.709 -5.107 14.971 1.00 0.00 N ATOM 0 H GLN A 37 20.319 -5.787 13.880 1.00 0.00 H new ATOM 0 HA GLN A 37 18.353 -7.907 13.464 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.484 -5.418 12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.601 -6.524 11.110 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.998 -4.914 12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.673 -6.459 12.763 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.831 -5.581 14.760 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.857 -4.693 15.892 1.00 0.00 H new ATOM 586 N ALA A 38 21.125 -8.065 11.724 1.00 0.00 N ATOM 587 CA ALA A 38 21.903 -9.013 10.879 1.00 0.00 C ATOM 588 C ALA A 38 22.216 -10.299 11.652 1.00 0.00 C ATOM 589 O ALA A 38 22.051 -11.392 11.148 1.00 0.00 O ATOM 590 CB ALA A 38 23.191 -8.265 10.538 1.00 0.00 C ATOM 0 H ALA A 38 21.587 -7.177 11.920 1.00 0.00 H new ATOM 0 HA ALA A 38 21.352 -9.314 9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.824 -8.896 9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.948 -7.349 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.721 -8.015 11.457 1.00 0.00 H new ATOM 596 N GLN A 39 22.676 -10.178 12.866 1.00 0.00 N ATOM 597 CA GLN A 39 23.013 -11.392 13.664 1.00 0.00 C ATOM 598 C GLN A 39 21.756 -12.213 13.976 1.00 0.00 C ATOM 599 O GLN A 39 21.757 -13.424 13.874 1.00 0.00 O ATOM 600 CB GLN A 39 23.632 -10.855 14.955 1.00 0.00 C ATOM 601 CG GLN A 39 24.196 -12.017 15.776 1.00 0.00 C ATOM 602 CD GLN A 39 23.204 -12.397 16.876 1.00 0.00 C ATOM 603 OE1 GLN A 39 22.286 -11.655 17.166 1.00 0.00 O ATOM 604 NE2 GLN A 39 23.350 -13.531 17.507 1.00 0.00 N ATOM 0 H GLN A 39 22.834 -9.290 13.342 1.00 0.00 H new ATOM 0 HA GLN A 39 23.688 -12.056 13.124 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.424 -10.143 14.722 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.881 -10.318 15.534 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.384 -12.874 15.130 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.152 -11.734 16.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 24.120 -14.154 17.264 1.00 0.00 H new ATOM 0 HE22 GLN A 39 22.694 -13.793 18.243 1.00 0.00 H new ATOM 613 N TYR A 40 20.689 -11.571 14.366 1.00 0.00 N ATOM 614 CA TYR A 40 19.445 -12.331 14.693 1.00 0.00 C ATOM 615 C TYR A 40 18.883 -13.009 13.442 1.00 0.00 C ATOM 616 O TYR A 40 18.454 -14.145 13.479 1.00 0.00 O ATOM 617 CB TYR A 40 18.464 -11.285 15.220 1.00 0.00 C ATOM 618 CG TYR A 40 17.523 -11.940 16.201 1.00 0.00 C ATOM 619 CD1 TYR A 40 16.411 -12.653 15.736 1.00 0.00 C ATOM 620 CD2 TYR A 40 17.763 -11.839 17.576 1.00 0.00 C ATOM 621 CE1 TYR A 40 15.540 -13.266 16.645 1.00 0.00 C ATOM 622 CE2 TYR A 40 16.893 -12.451 18.486 1.00 0.00 C ATOM 623 CZ TYR A 40 15.781 -13.164 18.020 1.00 0.00 C ATOM 624 OH TYR A 40 14.924 -13.768 18.917 1.00 0.00 O ATOM 0 H TYR A 40 20.623 -10.559 14.473 1.00 0.00 H new ATOM 0 HA TYR A 40 19.631 -13.121 15.421 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.005 -10.472 15.704 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.902 -10.847 14.395 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.225 -12.730 14.675 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.620 -11.289 17.935 1.00 0.00 H new ATOM 0 HE1 TYR A 40 14.683 -13.817 16.286 1.00 0.00 H new ATOM 0 HE2 TYR A 40 17.079 -12.373 19.547 1.00 0.00 H new ATOM 0 HH TYR A 40 15.236 -13.601 19.831 1.00 0.00 H new ATOM 634 N CYS A 41 18.876 -12.321 12.336 1.00 0.00 N ATOM 635 CA CYS A 41 18.336 -12.923 11.086 1.00 0.00 C ATOM 636 C CYS A 41 19.094 -14.209 10.737 1.00 0.00 C ATOM 637 O CYS A 41 18.503 -15.240 10.488 1.00 0.00 O ATOM 638 CB CYS A 41 18.556 -11.856 10.016 1.00 0.00 C ATOM 639 SG CYS A 41 17.288 -10.574 10.176 1.00 0.00 S ATOM 0 H CYS A 41 19.222 -11.366 12.243 1.00 0.00 H new ATOM 0 HA CYS A 41 17.286 -13.200 11.179 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.548 -11.417 10.123 1.00 0.00 H new ATOM 0 HB3 CYS A 41 18.511 -12.305 9.024 1.00 0.00 H new ATOM 0 HG CYS A 41 17.705 -9.650 10.990 1.00 0.00 H new ATOM 645 N ILE A 42 20.399 -14.157 10.715 1.00 0.00 N ATOM 646 CA ILE A 42 21.188 -15.378 10.380 1.00 0.00 C ATOM 647 C ILE A 42 20.859 -16.507 11.367 1.00 0.00 C ATOM 648 O ILE A 42 21.053 -17.672 11.078 1.00 0.00 O ATOM 649 CB ILE A 42 22.656 -14.935 10.490 1.00 0.00 C ATOM 650 CG1 ILE A 42 23.153 -14.508 9.106 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.533 -16.085 11.003 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.754 -13.104 9.182 1.00 0.00 C ATOM 0 H ILE A 42 20.952 -13.323 10.914 1.00 0.00 H new ATOM 0 HA ILE A 42 20.964 -15.770 9.388 1.00 0.00 H new ATOM 0 HB ILE A 42 22.720 -14.104 11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 42 23.900 -15.214 8.744 1.00 0.00 H new ATOM 0 HG13 ILE A 42 22.329 -14.523 8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.568 -15.750 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.185 -16.397 11.988 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.470 -16.926 10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 42 24.106 -12.805 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 42 22.995 -12.401 9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.590 -13.104 9.881 1.00 0.00 H new ATOM 664 N LYS A 43 20.367 -16.173 12.528 1.00 0.00 N ATOM 665 CA LYS A 43 20.033 -17.230 13.527 1.00 0.00 C ATOM 666 C LYS A 43 18.656 -17.838 13.230 1.00 0.00 C ATOM 667 O LYS A 43 18.310 -18.884 13.740 1.00 0.00 O ATOM 668 CB LYS A 43 20.030 -16.516 14.880 1.00 0.00 C ATOM 669 CG LYS A 43 20.145 -17.553 16.001 1.00 0.00 C ATOM 670 CD LYS A 43 20.609 -16.870 17.289 1.00 0.00 C ATOM 671 CE LYS A 43 21.392 -17.868 18.146 1.00 0.00 C ATOM 672 NZ LYS A 43 22.438 -17.053 18.825 1.00 0.00 N ATOM 0 H LYS A 43 20.182 -15.216 12.829 1.00 0.00 H new ATOM 0 HA LYS A 43 20.747 -18.053 13.504 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.860 -15.812 14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.113 -15.938 14.997 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.182 -18.038 16.161 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.851 -18.333 15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 43 21.235 -16.010 17.051 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.749 -16.495 17.844 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.743 -18.361 18.870 1.00 0.00 H new ATOM 0 HE3 LYS A 43 21.838 -18.651 17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 23.017 -17.668 19.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 23.044 -16.601 18.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 21.984 -16.320 19.407 1.00 0.00 H new ATOM 686 N ARG A 44 17.866 -17.193 12.414 1.00 0.00 N ATOM 687 CA ARG A 44 16.515 -17.745 12.099 1.00 0.00 C ATOM 688 C ARG A 44 16.429 -18.158 10.625 1.00 0.00 C ATOM 689 O ARG A 44 16.181 -19.305 10.312 1.00 0.00 O ATOM 690 CB ARG A 44 15.539 -16.607 12.397 1.00 0.00 C ATOM 691 CG ARG A 44 14.892 -16.839 13.764 1.00 0.00 C ATOM 692 CD ARG A 44 13.720 -17.814 13.620 1.00 0.00 C ATOM 693 NE ARG A 44 14.265 -19.138 14.035 1.00 0.00 N ATOM 694 CZ ARG A 44 14.570 -19.360 15.285 1.00 0.00 C ATOM 695 NH1 ARG A 44 14.405 -18.422 16.178 1.00 0.00 N ATOM 696 NH2 ARG A 44 15.044 -20.523 15.644 1.00 0.00 N ATOM 0 H ARG A 44 18.095 -16.312 11.954 1.00 0.00 H new ATOM 0 HA ARG A 44 16.293 -18.637 12.685 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.063 -15.651 12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.773 -16.558 11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.627 -17.239 14.462 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.542 -15.893 14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.881 -17.518 14.250 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.354 -17.842 12.594 1.00 0.00 H new ATOM 0 HE ARG A 44 14.400 -19.873 13.340 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.037 -17.512 15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.644 -18.599 17.154 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.176 -21.257 14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.283 -20.697 16.620 1.00 0.00 H new ATOM 710 N MET A 45 16.623 -17.227 9.722 1.00 0.00 N ATOM 711 CA MET A 45 16.549 -17.554 8.265 1.00 0.00 C ATOM 712 C MET A 45 17.095 -18.957 7.987 1.00 0.00 C ATOM 713 O MET A 45 18.292 -19.157 7.920 1.00 0.00 O ATOM 714 CB MET A 45 17.424 -16.501 7.582 1.00 0.00 C ATOM 715 CG MET A 45 16.732 -16.018 6.308 1.00 0.00 C ATOM 716 SD MET A 45 17.188 -14.298 5.985 1.00 0.00 S ATOM 717 CE MET A 45 16.180 -13.556 7.291 1.00 0.00 C ATOM 0 H MET A 45 16.830 -16.251 9.934 1.00 0.00 H new ATOM 0 HA MET A 45 15.522 -17.544 7.901 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.596 -15.662 8.256 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.400 -16.923 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.021 -16.646 5.465 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.651 -16.104 6.414 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.641 -12.697 6.891 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.466 -14.292 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.824 -13.232 8.108 1.00 0.00 H new ATOM 727 N PRO A 46 16.189 -19.883 7.833 1.00 0.00 N ATOM 728 CA PRO A 46 16.619 -21.280 7.556 1.00 0.00 C ATOM 729 C PRO A 46 17.172 -21.387 6.133 1.00 0.00 C ATOM 730 O PRO A 46 17.417 -20.395 5.476 1.00 0.00 O ATOM 731 CB PRO A 46 15.343 -22.113 7.703 1.00 0.00 C ATOM 732 CG PRO A 46 14.364 -21.228 8.402 1.00 0.00 C ATOM 733 CD PRO A 46 14.745 -19.812 8.079 1.00 0.00 C ATOM 0 HA PRO A 46 17.409 -21.617 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.964 -22.425 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.531 -23.020 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.348 -21.439 8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.390 -21.399 9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.208 -19.443 7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.513 -19.138 8.903 1.00 0.00 H new ATOM 859 N ALA A 57 21.967 -19.153 0.213 1.00 0.00 N ATOM 860 CA ALA A 57 20.603 -18.563 0.098 1.00 0.00 C ATOM 861 C ALA A 57 19.754 -18.943 1.314 1.00 0.00 C ATOM 862 O ALA A 57 19.406 -20.090 1.508 1.00 0.00 O ATOM 863 CB ALA A 57 20.017 -19.171 -1.177 1.00 0.00 C ATOM 0 HA ALA A 57 20.627 -17.474 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.009 -18.786 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.644 -18.905 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 57 19.979 -20.256 -1.079 1.00 0.00 H new ATOM 869 N LEU A 58 19.413 -17.985 2.131 1.00 0.00 N ATOM 870 CA LEU A 58 18.579 -18.287 3.330 1.00 0.00 C ATOM 871 C LEU A 58 17.151 -17.783 3.100 1.00 0.00 C ATOM 872 O LEU A 58 16.910 -16.949 2.250 1.00 0.00 O ATOM 873 CB LEU A 58 19.245 -17.532 4.483 1.00 0.00 C ATOM 874 CG LEU A 58 20.584 -18.189 4.826 1.00 0.00 C ATOM 875 CD1 LEU A 58 20.375 -19.688 5.050 1.00 0.00 C ATOM 876 CD2 LEU A 58 21.570 -17.979 3.674 1.00 0.00 C ATOM 0 H LEU A 58 19.676 -17.006 2.021 1.00 0.00 H new ATOM 0 HA LEU A 58 18.514 -19.355 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.401 -16.490 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.593 -17.535 5.357 1.00 0.00 H new ATOM 0 HG LEU A 58 20.985 -17.737 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.329 -20.156 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 58 19.676 -19.839 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.972 -20.139 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.523 -18.448 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.169 -18.428 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 58 21.721 -16.911 3.515 1.00 0.00 H new ATOM 888 N ASP A 59 16.202 -18.286 3.838 1.00 0.00 N ATOM 889 CA ASP A 59 14.793 -17.834 3.638 1.00 0.00 C ATOM 890 C ASP A 59 14.281 -17.070 4.863 1.00 0.00 C ATOM 891 O ASP A 59 14.069 -17.636 5.918 1.00 0.00 O ATOM 892 CB ASP A 59 13.992 -19.120 3.439 1.00 0.00 C ATOM 893 CG ASP A 59 13.601 -19.260 1.966 1.00 0.00 C ATOM 894 OD1 ASP A 59 13.626 -18.259 1.271 1.00 0.00 O ATOM 895 OD2 ASP A 59 13.284 -20.366 1.560 1.00 0.00 O ATOM 0 H ASP A 59 16.337 -18.986 4.567 1.00 0.00 H new ATOM 0 HA ASP A 59 14.703 -17.154 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.583 -19.981 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.098 -19.104 4.063 1.00 0.00 H new ATOM 900 N TYR A 60 14.072 -15.788 4.725 1.00 0.00 N ATOM 901 CA TYR A 60 13.562 -14.977 5.866 1.00 0.00 C ATOM 902 C TYR A 60 12.065 -15.229 6.056 1.00 0.00 C ATOM 903 O TYR A 60 11.521 -15.024 7.124 1.00 0.00 O ATOM 904 CB TYR A 60 13.808 -13.526 5.450 1.00 0.00 C ATOM 905 CG TYR A 60 13.172 -13.279 4.102 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.781 -13.162 3.994 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.975 -13.169 2.960 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.194 -12.936 2.743 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.388 -12.943 1.710 1.00 0.00 C ATOM 910 CZ TYR A 60 11.997 -12.826 1.602 1.00 0.00 C ATOM 911 OH TYR A 60 11.418 -12.604 0.369 1.00 0.00 O ATOM 0 H TYR A 60 14.234 -15.265 3.864 1.00 0.00 H new ATOM 0 HA TYR A 60 14.052 -15.224 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.389 -12.847 6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.878 -13.326 5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.161 -13.246 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.048 -13.259 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.121 -12.847 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.007 -12.859 0.829 1.00 0.00 H new ATOM 0 HH TYR A 60 12.117 -12.552 -0.316 1.00 0.00 H new ATOM 921 N ALA A 61 11.396 -15.673 5.028 1.00 0.00 N ATOM 922 CA ALA A 61 9.936 -15.938 5.153 1.00 0.00 C ATOM 923 C ALA A 61 9.688 -16.913 6.302 1.00 0.00 C ATOM 924 O ALA A 61 8.742 -16.776 7.053 1.00 0.00 O ATOM 925 CB ALA A 61 9.528 -16.559 3.818 1.00 0.00 C ATOM 0 H ALA A 61 11.796 -15.863 4.109 1.00 0.00 H new ATOM 0 HA ALA A 61 9.363 -15.036 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.461 -16.783 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.741 -15.858 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.090 -17.479 3.658 1.00 0.00 H new ATOM 931 N ALA A 62 10.537 -17.891 6.456 1.00 0.00 N ATOM 932 CA ALA A 62 10.351 -18.863 7.569 1.00 0.00 C ATOM 933 C ALA A 62 10.595 -18.161 8.902 1.00 0.00 C ATOM 934 O ALA A 62 9.962 -18.447 9.899 1.00 0.00 O ATOM 935 CB ALA A 62 11.395 -19.955 7.333 1.00 0.00 C ATOM 0 H ALA A 62 11.349 -18.059 5.862 1.00 0.00 H new ATOM 0 HA ALA A 62 9.343 -19.278 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.317 -20.708 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.221 -20.421 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.392 -19.515 7.350 1.00 0.00 H new ATOM 941 N PHE A 63 11.508 -17.238 8.916 1.00 0.00 N ATOM 942 CA PHE A 63 11.811 -16.492 10.170 1.00 0.00 C ATOM 943 C PHE A 63 10.667 -15.529 10.497 1.00 0.00 C ATOM 944 O PHE A 63 10.334 -15.310 11.645 1.00 0.00 O ATOM 945 CB PHE A 63 13.095 -15.722 9.867 1.00 0.00 C ATOM 946 CG PHE A 63 13.355 -14.717 10.964 1.00 0.00 C ATOM 947 CD1 PHE A 63 13.030 -15.027 12.290 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.922 -13.475 10.654 1.00 0.00 C ATOM 949 CE1 PHE A 63 13.271 -14.095 13.305 1.00 0.00 C ATOM 950 CE2 PHE A 63 14.163 -12.544 11.669 1.00 0.00 C ATOM 951 CZ PHE A 63 13.838 -12.853 12.996 1.00 0.00 C ATOM 0 H PHE A 63 12.065 -16.963 8.107 1.00 0.00 H new ATOM 0 HA PHE A 63 11.926 -17.151 11.031 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.934 -16.413 9.786 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.008 -15.213 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.593 -15.985 12.529 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.173 -13.236 9.631 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.019 -14.334 14.328 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.600 -11.586 11.430 1.00 0.00 H new ATOM 0 HZ PHE A 63 14.025 -12.134 13.780 1.00 0.00 H new ATOM 961 N SER A 64 10.062 -14.949 9.493 1.00 0.00 N ATOM 962 CA SER A 64 8.941 -13.999 9.744 1.00 0.00 C ATOM 963 C SER A 64 7.794 -14.709 10.466 1.00 0.00 C ATOM 964 O SER A 64 7.290 -14.238 11.466 1.00 0.00 O ATOM 965 CB SER A 64 8.497 -13.537 8.356 1.00 0.00 C ATOM 966 OG SER A 64 7.615 -14.503 7.801 1.00 0.00 O ATOM 0 H SER A 64 10.297 -15.093 8.511 1.00 0.00 H new ATOM 0 HA SER A 64 9.242 -13.164 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.000 -12.570 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.364 -13.405 7.709 1.00 0.00 H new ATOM 0 HG SER A 64 8.127 -15.141 7.261 1.00 0.00 H new ATOM 972 N SER A 65 7.375 -15.840 9.967 1.00 0.00 N ATOM 973 CA SER A 65 6.261 -16.578 10.626 1.00 0.00 C ATOM 974 C SER A 65 6.689 -17.049 12.018 1.00 0.00 C ATOM 975 O SER A 65 5.951 -16.936 12.976 1.00 0.00 O ATOM 976 CB SER A 65 5.988 -17.776 9.716 1.00 0.00 C ATOM 977 OG SER A 65 7.182 -18.533 9.566 1.00 0.00 O ATOM 0 H SER A 65 7.756 -16.284 9.132 1.00 0.00 H new ATOM 0 HA SER A 65 5.376 -15.956 10.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.200 -18.398 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.635 -17.435 8.743 1.00 0.00 H new ATOM 0 HG SER A 65 7.010 -19.303 8.984 1.00 0.00 H new ATOM 983 N ALA A 66 7.878 -17.575 12.136 1.00 0.00 N ATOM 984 CA ALA A 66 8.355 -18.052 13.466 1.00 0.00 C ATOM 985 C ALA A 66 8.364 -16.897 14.470 1.00 0.00 C ATOM 986 O ALA A 66 8.154 -17.086 15.652 1.00 0.00 O ATOM 987 CB ALA A 66 9.776 -18.558 13.218 1.00 0.00 C ATOM 0 H ALA A 66 8.540 -17.695 11.369 1.00 0.00 H new ATOM 0 HA ALA A 66 7.712 -18.828 13.882 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.199 -18.928 14.152 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.752 -19.365 12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.392 -17.742 12.839 1.00 0.00 H new ATOM 993 N LEU A 67 8.605 -15.700 14.009 1.00 0.00 N ATOM 994 CA LEU A 67 8.629 -14.534 14.937 1.00 0.00 C ATOM 995 C LEU A 67 7.235 -14.298 15.526 1.00 0.00 C ATOM 996 O LEU A 67 7.090 -13.937 16.677 1.00 0.00 O ATOM 997 CB LEU A 67 9.054 -13.347 14.072 1.00 0.00 C ATOM 998 CG LEU A 67 10.391 -12.800 14.575 1.00 0.00 C ATOM 999 CD1 LEU A 67 11.015 -11.910 13.499 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.159 -11.979 15.846 1.00 0.00 C ATOM 0 H LEU A 67 8.786 -15.479 13.030 1.00 0.00 H new ATOM 0 HA LEU A 67 9.306 -14.689 15.777 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.144 -13.656 13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.294 -12.567 14.108 1.00 0.00 H new ATOM 0 HG LEU A 67 11.064 -13.629 14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.968 -11.520 13.857 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.179 -12.494 12.594 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.343 -11.080 13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.111 -11.588 16.206 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.487 -11.150 15.626 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.714 -12.613 16.613 1.00 0.00 H new ATOM 1012 N TYR A 68 6.209 -14.499 14.744 1.00 0.00 N ATOM 1013 CA TYR A 68 4.826 -14.287 15.259 1.00 0.00 C ATOM 1014 C TYR A 68 4.313 -15.560 15.935 1.00 0.00 C ATOM 1015 O TYR A 68 3.409 -15.524 16.745 1.00 0.00 O ATOM 1016 CB TYR A 68 3.991 -13.964 14.020 1.00 0.00 C ATOM 1017 CG TYR A 68 4.237 -12.534 13.605 1.00 0.00 C ATOM 1018 CD1 TYR A 68 5.522 -12.127 13.228 1.00 0.00 C ATOM 1019 CD2 TYR A 68 3.181 -11.615 13.597 1.00 0.00 C ATOM 1020 CE1 TYR A 68 5.752 -10.800 12.842 1.00 0.00 C ATOM 1021 CE2 TYR A 68 3.410 -10.289 13.211 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.697 -9.882 12.834 1.00 0.00 C ATOM 1023 OH TYR A 68 4.921 -8.574 12.454 1.00 0.00 O ATOM 0 H TYR A 68 6.269 -14.801 13.771 1.00 0.00 H new ATOM 0 HA TYR A 68 4.778 -13.492 16.003 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.253 -14.640 13.206 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.933 -14.115 14.232 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.337 -12.836 13.235 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.190 -11.929 13.889 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.744 -10.486 12.551 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.595 -9.580 13.204 1.00 0.00 H new ATOM 0 HH TYR A 68 5.654 -8.543 11.804 1.00 0.00 H new ATOM 1105 N LYS B 8 12.447 3.483 -0.527 1.00 0.00 N ATOM 1106 CA LYS B 8 11.693 2.197 -0.498 1.00 0.00 C ATOM 1107 C LYS B 8 12.472 1.146 0.298 1.00 0.00 C ATOM 1108 O LYS B 8 11.935 0.485 1.164 1.00 0.00 O ATOM 1109 CB LYS B 8 11.569 1.776 -1.963 1.00 0.00 C ATOM 1110 CG LYS B 8 10.090 1.647 -2.333 1.00 0.00 C ATOM 1111 CD LYS B 8 9.532 0.342 -1.761 1.00 0.00 C ATOM 1112 CE LYS B 8 8.521 -0.257 -2.742 1.00 0.00 C ATOM 1113 NZ LYS B 8 7.401 -0.745 -1.889 1.00 0.00 N ATOM 0 HA LYS B 8 10.719 2.300 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS B 8 12.053 2.511 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.079 0.826 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.531 2.497 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.973 1.661 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.343 -0.364 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.054 0.529 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.176 0.489 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.963 -1.071 -3.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.667 -1.170 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.758 -1.458 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.996 0.052 -1.359 1.00 0.00 H new ATOM 1127 N LYS B 9 13.735 0.986 0.012 1.00 0.00 N ATOM 1128 CA LYS B 9 14.546 -0.022 0.754 1.00 0.00 C ATOM 1129 C LYS B 9 14.592 0.331 2.244 1.00 0.00 C ATOM 1130 O LYS B 9 14.420 -0.515 3.097 1.00 0.00 O ATOM 1131 CB LYS B 9 15.943 0.062 0.140 1.00 0.00 C ATOM 1132 CG LYS B 9 16.560 -1.336 0.082 1.00 0.00 C ATOM 1133 CD LYS B 9 18.083 -1.228 0.186 1.00 0.00 C ATOM 1134 CE LYS B 9 18.712 -1.567 -1.166 1.00 0.00 C ATOM 1135 NZ LYS B 9 18.688 -3.054 -1.239 1.00 0.00 N ATOM 0 H LYS B 9 14.241 1.509 -0.703 1.00 0.00 H new ATOM 0 HA LYS B 9 14.128 -1.026 0.677 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.886 0.488 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.573 0.725 0.733 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.172 -1.950 0.895 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.283 -1.829 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.367 -0.220 0.489 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.455 -1.908 0.953 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.149 -1.122 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS B 9 19.730 -1.185 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 19.223 -3.369 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 19.120 -3.451 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 17.704 -3.382 -1.315 1.00 0.00 H new ATOM 1149 N ALA B 10 14.824 1.575 2.562 1.00 0.00 N ATOM 1150 CA ALA B 10 14.881 1.980 3.996 1.00 0.00 C ATOM 1151 C ALA B 10 13.574 1.606 4.699 1.00 0.00 C ATOM 1152 O ALA B 10 13.564 1.230 5.854 1.00 0.00 O ATOM 1153 CB ALA B 10 15.066 3.497 3.975 1.00 0.00 C ATOM 0 H ALA B 10 14.977 2.328 1.892 1.00 0.00 H new ATOM 0 HA ALA B 10 15.687 1.482 4.535 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.117 3.871 4.997 1.00 0.00 H new ATOM 0 HB2 ALA B 10 15.990 3.744 3.452 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.223 3.959 3.461 1.00 0.00 H new ATOM 1159 N GLU B 11 12.470 1.707 4.010 1.00 0.00 N ATOM 1160 CA GLU B 11 11.164 1.355 4.639 1.00 0.00 C ATOM 1161 C GLU B 11 11.125 -0.138 4.971 1.00 0.00 C ATOM 1162 O GLU B 11 10.722 -0.534 6.046 1.00 0.00 O ATOM 1163 CB GLU B 11 10.113 1.700 3.584 1.00 0.00 C ATOM 1164 CG GLU B 11 8.929 2.399 4.255 1.00 0.00 C ATOM 1165 CD GLU B 11 8.098 3.127 3.196 1.00 0.00 C ATOM 1166 OE1 GLU B 11 8.587 3.280 2.088 1.00 0.00 O ATOM 1167 OE2 GLU B 11 6.985 3.517 3.510 1.00 0.00 O ATOM 0 H GLU B 11 12.415 2.018 3.040 1.00 0.00 H new ATOM 0 HA GLU B 11 10.994 1.891 5.573 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.546 2.347 2.821 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.777 0.794 3.080 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.311 1.669 4.779 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.287 3.108 5.002 1.00 0.00 H new ATOM 1174 N ALA B 12 11.542 -0.970 4.056 1.00 0.00 N ATOM 1175 CA ALA B 12 11.529 -2.438 4.320 1.00 0.00 C ATOM 1176 C ALA B 12 12.467 -2.772 5.484 1.00 0.00 C ATOM 1177 O ALA B 12 12.169 -3.608 6.313 1.00 0.00 O ATOM 1178 CB ALA B 12 12.031 -3.076 3.025 1.00 0.00 C ATOM 0 H ALA B 12 11.891 -0.697 3.137 1.00 0.00 H new ATOM 0 HA ALA B 12 10.539 -2.802 4.596 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.051 -4.160 3.137 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.364 -2.809 2.205 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.036 -2.715 2.807 1.00 0.00 H new ATOM 1184 N VAL B 13 13.597 -2.123 5.550 1.00 0.00 N ATOM 1185 CA VAL B 13 14.552 -2.402 6.660 1.00 0.00 C ATOM 1186 C VAL B 13 13.912 -2.053 8.007 1.00 0.00 C ATOM 1187 O VAL B 13 14.032 -2.784 8.970 1.00 0.00 O ATOM 1188 CB VAL B 13 15.753 -1.496 6.385 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.618 -1.395 7.642 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.583 -2.085 5.243 1.00 0.00 C ATOM 0 H VAL B 13 13.900 -1.412 4.884 1.00 0.00 H new ATOM 0 HA VAL B 13 14.837 -3.453 6.707 1.00 0.00 H new ATOM 0 HB VAL B 13 15.401 -0.503 6.107 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.473 -0.749 7.444 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.028 -0.976 8.457 1.00 0.00 H new ATOM 0 HG13 VAL B 13 16.970 -2.388 7.922 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.440 -1.440 5.046 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.933 -3.079 5.523 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.968 -2.156 4.346 1.00 0.00 H new ATOM 1200 N ALA B 14 13.229 -0.943 8.080 1.00 0.00 N ATOM 1201 CA ALA B 14 12.579 -0.551 9.364 1.00 0.00 C ATOM 1202 C ALA B 14 11.596 -1.637 9.809 1.00 0.00 C ATOM 1203 O ALA B 14 11.499 -1.961 10.976 1.00 0.00 O ATOM 1204 CB ALA B 14 11.839 0.749 9.052 1.00 0.00 C ATOM 0 H ALA B 14 13.093 -0.291 7.307 1.00 0.00 H new ATOM 0 HA ALA B 14 13.300 -0.424 10.172 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.333 1.104 9.950 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.552 1.502 8.716 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.104 0.570 8.267 1.00 0.00 H new ATOM 1210 N THR B 15 10.866 -2.200 8.886 1.00 0.00 N ATOM 1211 CA THR B 15 9.889 -3.264 9.254 1.00 0.00 C ATOM 1212 C THR B 15 10.620 -4.469 9.853 1.00 0.00 C ATOM 1213 O THR B 15 10.246 -4.982 10.889 1.00 0.00 O ATOM 1214 CB THR B 15 9.211 -3.649 7.938 1.00 0.00 C ATOM 1215 OG1 THR B 15 9.092 -2.497 7.115 1.00 0.00 O ATOM 1216 CG2 THR B 15 7.822 -4.221 8.225 1.00 0.00 C ATOM 0 H THR B 15 10.904 -1.970 7.893 1.00 0.00 H new ATOM 0 HA THR B 15 9.170 -2.925 10.000 1.00 0.00 H new ATOM 0 HB THR B 15 9.811 -4.401 7.426 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.048 -2.770 6.175 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.340 -4.495 7.286 1.00 0.00 H new ATOM 0 HG22 THR B 15 7.916 -5.105 8.856 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.219 -3.472 8.737 1.00 0.00 H new ATOM 1224 N VAL B 16 11.661 -4.924 9.209 1.00 0.00 N ATOM 1225 CA VAL B 16 12.414 -6.096 9.742 1.00 0.00 C ATOM 1226 C VAL B 16 13.050 -5.749 11.090 1.00 0.00 C ATOM 1227 O VAL B 16 13.012 -6.525 12.024 1.00 0.00 O ATOM 1228 CB VAL B 16 13.492 -6.381 8.697 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.281 -7.627 9.104 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.833 -6.620 7.337 1.00 0.00 C ATOM 0 H VAL B 16 12.022 -4.535 8.338 1.00 0.00 H new ATOM 0 HA VAL B 16 11.770 -6.959 9.910 1.00 0.00 H new ATOM 0 HB VAL B 16 14.167 -5.528 8.631 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.050 -7.830 8.359 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.750 -7.460 10.073 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.605 -8.480 9.170 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.601 -6.823 6.591 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.158 -7.473 7.405 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.269 -5.734 7.045 1.00 0.00 H new ATOM 1240 N VAL B 17 13.636 -4.588 11.198 1.00 0.00 N ATOM 1241 CA VAL B 17 14.276 -4.192 12.487 1.00 0.00 C ATOM 1242 C VAL B 17 13.225 -4.100 13.596 1.00 0.00 C ATOM 1243 O VAL B 17 13.391 -4.644 14.669 1.00 0.00 O ATOM 1244 CB VAL B 17 14.891 -2.820 12.218 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.659 -2.353 13.455 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.849 -2.915 11.029 1.00 0.00 C ATOM 0 H VAL B 17 13.700 -3.896 10.451 1.00 0.00 H new ATOM 0 HA VAL B 17 15.021 -4.916 12.816 1.00 0.00 H new ATOM 0 HB VAL B 17 14.099 -2.106 11.991 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.098 -1.374 13.263 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.977 -2.285 14.302 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.451 -3.067 13.683 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.288 -1.936 10.837 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.640 -3.630 11.256 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.302 -3.247 10.147 1.00 0.00 H new ATOM 1256 N ALA B 18 12.143 -3.415 13.346 1.00 0.00 N ATOM 1257 CA ALA B 18 11.083 -3.285 14.387 1.00 0.00 C ATOM 1258 C ALA B 18 10.489 -4.658 14.715 1.00 0.00 C ATOM 1259 O ALA B 18 10.090 -4.921 15.831 1.00 0.00 O ATOM 1260 CB ALA B 18 10.024 -2.378 13.761 1.00 0.00 C ATOM 0 H ALA B 18 11.947 -2.939 12.465 1.00 0.00 H new ATOM 0 HA ALA B 18 11.470 -2.877 15.321 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.206 -2.232 14.467 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.469 -1.413 13.517 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.640 -2.841 12.852 1.00 0.00 H new ATOM 1266 N ALA B 19 10.424 -5.534 13.750 1.00 0.00 N ATOM 1267 CA ALA B 19 9.852 -6.886 14.007 1.00 0.00 C ATOM 1268 C ALA B 19 10.762 -7.681 14.950 1.00 0.00 C ATOM 1269 O ALA B 19 10.306 -8.315 15.879 1.00 0.00 O ATOM 1270 CB ALA B 19 9.789 -7.555 12.633 1.00 0.00 C ATOM 0 H ALA B 19 10.742 -5.372 12.795 1.00 0.00 H new ATOM 0 HA ALA B 19 8.873 -6.835 14.483 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.377 -8.559 12.736 1.00 0.00 H new ATOM 0 HB2 ALA B 19 9.153 -6.968 11.971 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.792 -7.616 12.212 1.00 0.00 H new ATOM 1276 N VAL B 20 12.045 -7.653 14.715 1.00 0.00 N ATOM 1277 CA VAL B 20 12.982 -8.409 15.597 1.00 0.00 C ATOM 1278 C VAL B 20 13.006 -7.795 16.999 1.00 0.00 C ATOM 1279 O VAL B 20 13.001 -8.493 17.993 1.00 0.00 O ATOM 1280 CB VAL B 20 14.351 -8.274 14.930 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.406 -8.984 15.779 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.304 -8.910 13.538 1.00 0.00 C ATOM 0 H VAL B 20 12.486 -7.140 13.951 1.00 0.00 H new ATOM 0 HA VAL B 20 12.685 -9.451 15.714 1.00 0.00 H new ATOM 0 HB VAL B 20 14.608 -7.219 14.840 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.382 -8.887 15.303 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.440 -8.532 16.770 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.150 -10.040 15.870 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.280 -8.814 13.061 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.046 -9.965 13.629 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.553 -8.404 12.932 1.00 0.00 H new ATOM 1292 N ASP B 21 13.034 -6.492 17.086 1.00 0.00 N ATOM 1293 CA ASP B 21 13.061 -5.834 18.424 1.00 0.00 C ATOM 1294 C ASP B 21 11.761 -6.112 19.183 1.00 0.00 C ATOM 1295 O ASP B 21 11.744 -6.196 20.395 1.00 0.00 O ATOM 1296 CB ASP B 21 13.197 -4.340 18.127 1.00 0.00 C ATOM 1297 CG ASP B 21 13.837 -3.636 19.326 1.00 0.00 C ATOM 1298 OD1 ASP B 21 14.859 -4.113 19.790 1.00 0.00 O ATOM 1299 OD2 ASP B 21 13.293 -2.634 19.758 1.00 0.00 O ATOM 0 H ASP B 21 13.039 -5.855 16.289 1.00 0.00 H new ATOM 0 HA ASP B 21 13.875 -6.204 19.047 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.807 -4.190 17.236 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.217 -3.909 17.919 1.00 0.00 H new ATOM 1304 N GLN B 22 10.670 -6.251 18.481 1.00 0.00 N ATOM 1305 CA GLN B 22 9.372 -6.520 19.164 1.00 0.00 C ATOM 1306 C GLN B 22 9.410 -7.875 19.878 1.00 0.00 C ATOM 1307 O GLN B 22 9.061 -7.987 21.036 1.00 0.00 O ATOM 1308 CB GLN B 22 8.331 -6.533 18.044 1.00 0.00 C ATOM 1309 CG GLN B 22 6.986 -6.049 18.591 1.00 0.00 C ATOM 1310 CD GLN B 22 7.094 -4.575 18.985 1.00 0.00 C ATOM 1311 OE1 GLN B 22 8.156 -3.989 18.905 1.00 0.00 O ATOM 1312 NE2 GLN B 22 6.034 -3.945 19.411 1.00 0.00 N ATOM 0 H GLN B 22 10.621 -6.190 17.464 1.00 0.00 H new ATOM 0 HA GLN B 22 9.147 -5.772 19.924 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.655 -5.891 17.225 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.230 -7.540 17.639 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.208 -6.179 17.839 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.697 -6.647 19.455 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.142 -4.435 19.479 1.00 0.00 H new ATOM 0 HE22 GLN B 22 6.097 -2.962 19.676 1.00 0.00 H new ATOM 1321 N ALA B 23 9.828 -8.907 19.197 1.00 0.00 N ATOM 1322 CA ALA B 23 9.882 -10.253 19.838 1.00 0.00 C ATOM 1323 C ALA B 23 10.911 -10.266 20.973 1.00 0.00 C ATOM 1324 O ALA B 23 10.735 -10.931 21.974 1.00 0.00 O ATOM 1325 CB ALA B 23 10.308 -11.207 18.722 1.00 0.00 C ATOM 0 H ALA B 23 10.135 -8.877 18.225 1.00 0.00 H new ATOM 0 HA ALA B 23 8.925 -10.535 20.277 1.00 0.00 H new ATOM 0 HB1 ALA B 23 10.371 -12.222 19.115 1.00 0.00 H new ATOM 0 HB2 ALA B 23 9.575 -11.175 17.916 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.283 -10.906 18.338 1.00 0.00 H new ATOM 1331 N ARG B 24 11.985 -9.542 20.821 1.00 0.00 N ATOM 1332 CA ARG B 24 13.027 -9.519 21.888 1.00 0.00 C ATOM 1333 C ARG B 24 12.487 -8.851 23.155 1.00 0.00 C ATOM 1334 O ARG B 24 12.805 -9.246 24.259 1.00 0.00 O ATOM 1335 CB ARG B 24 14.176 -8.701 21.298 1.00 0.00 C ATOM 1336 CG ARG B 24 15.511 -9.324 21.712 1.00 0.00 C ATOM 1337 CD ARG B 24 16.524 -8.214 21.997 1.00 0.00 C ATOM 1338 NE ARG B 24 16.268 -7.815 23.408 1.00 0.00 N ATOM 1339 CZ ARG B 24 16.718 -8.550 24.391 1.00 0.00 C ATOM 1340 NH1 ARG B 24 17.398 -9.638 24.142 1.00 0.00 N ATOM 1341 NH2 ARG B 24 16.487 -8.195 25.625 1.00 0.00 N ATOM 0 H ARG B 24 12.187 -8.965 20.005 1.00 0.00 H new ATOM 0 HA ARG B 24 13.342 -10.522 22.175 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.097 -8.674 20.211 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.120 -7.670 21.648 1.00 0.00 H new ATOM 0 HG2 ARG B 24 15.376 -9.944 22.598 1.00 0.00 H new ATOM 0 HG3 ARG B 24 15.882 -9.975 20.920 1.00 0.00 H new ATOM 0 HD2 ARG B 24 17.546 -8.569 21.866 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.389 -7.372 21.318 1.00 0.00 H new ATOM 0 HE ARG B 24 15.740 -6.966 23.608 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.579 -9.917 23.178 1.00 0.00 H new ATOM 0 HH12 ARG B 24 17.747 -10.209 24.912 1.00 0.00 H new ATOM 0 HH21 ARG B 24 15.957 -7.346 25.821 1.00 0.00 H new ATOM 0 HH22 ARG B 24 16.837 -8.766 26.394 1.00 0.00 H new