USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 392 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 7 THR OG1 : rot 47:sc= 0.768 USER MOD Single : A 12 THR OG1 : rot 39:sc= 1.12 USER MOD Single : A 15 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0085 X(o=-0.0085,f=-0.13) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.4) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0.2 K(o=0.2,f=-4.1!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= 0.0858 K(o=0.086,f=-0.54) USER MOD Single : B 29 TYR OH : rot 180:sc=-0.00814 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 19.927 6.793 -20.007 1.00 0.00 N ATOM 70 CA PHE A 6 19.717 6.917 -18.575 1.00 0.00 C ATOM 71 C PHE A 6 19.299 5.577 -17.966 1.00 0.00 C ATOM 72 O PHE A 6 18.169 5.130 -18.157 1.00 0.00 O ATOM 73 CB PHE A 6 18.589 7.930 -18.374 1.00 0.00 C ATOM 74 CG PHE A 6 19.050 9.267 -17.789 1.00 0.00 C ATOM 75 CD1 PHE A 6 20.028 9.979 -18.410 1.00 0.00 C ATOM 76 CD2 PHE A 6 18.482 9.742 -16.650 1.00 0.00 C ATOM 77 CE1 PHE A 6 20.455 11.219 -17.868 1.00 0.00 C ATOM 78 CE2 PHE A 6 18.910 10.982 -16.107 1.00 0.00 C ATOM 79 CZ PHE A 6 19.887 11.695 -16.727 1.00 0.00 C ATOM 0 HA PHE A 6 20.639 7.235 -18.089 1.00 0.00 H new ATOM 0 HB2 PHE A 6 18.103 8.113 -19.333 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.838 7.496 -17.714 1.00 0.00 H new ATOM 0 HD1 PHE A 6 20.480 9.601 -19.315 1.00 0.00 H new ATOM 0 HD2 PHE A 6 17.705 9.176 -16.158 1.00 0.00 H new ATOM 0 HE1 PHE A 6 21.231 11.785 -18.361 1.00 0.00 H new ATOM 0 HE2 PHE A 6 18.459 11.359 -15.201 1.00 0.00 H new ATOM 0 HZ PHE A 6 20.212 12.639 -16.314 1.00 0.00 H new ATOM 88 N THR A 7 20.231 4.975 -17.243 1.00 0.00 N ATOM 89 CA THR A 7 19.974 3.696 -16.604 1.00 0.00 C ATOM 90 C THR A 7 20.204 3.799 -15.094 1.00 0.00 C ATOM 91 O THR A 7 21.293 3.499 -14.607 1.00 0.00 O ATOM 92 CB THR A 7 20.853 2.643 -17.282 1.00 0.00 C ATOM 93 OG1 THR A 7 22.177 3.152 -17.140 1.00 0.00 O ATOM 94 CG2 THR A 7 20.635 2.585 -18.796 1.00 0.00 C ATOM 0 H THR A 7 21.166 5.350 -17.085 1.00 0.00 H new ATOM 0 HA THR A 7 18.933 3.396 -16.723 1.00 0.00 H new ATOM 0 HB THR A 7 20.647 1.664 -16.848 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.317 3.445 -16.216 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.283 1.822 -19.228 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.594 2.338 -19.005 1.00 0.00 H new ATOM 0 HG23 THR A 7 20.873 3.554 -19.235 1.00 0.00 H new ATOM 102 N VAL A 8 19.161 4.222 -14.397 1.00 0.00 N ATOM 103 CA VAL A 8 19.233 4.367 -12.953 1.00 0.00 C ATOM 104 C VAL A 8 18.468 3.221 -12.289 1.00 0.00 C ATOM 105 O VAL A 8 17.240 3.241 -12.233 1.00 0.00 O ATOM 106 CB VAL A 8 18.720 5.748 -12.539 1.00 0.00 C ATOM 107 CG1 VAL A 8 18.589 5.851 -11.019 1.00 0.00 C ATOM 108 CG2 VAL A 8 19.622 6.857 -13.089 1.00 0.00 C ATOM 0 H VAL A 8 18.260 4.469 -14.806 1.00 0.00 H new ATOM 0 HA VAL A 8 20.267 4.305 -12.615 1.00 0.00 H new ATOM 0 HB VAL A 8 17.728 5.879 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.223 6.842 -10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.888 5.097 -10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.563 5.688 -10.558 1.00 0.00 H new ATOM 0 HG21 VAL A 8 19.235 7.828 -12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.633 6.730 -12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.641 6.804 -14.178 1.00 0.00 H new ATOM 132 N GLY A 10 16.722 0.261 -12.323 1.00 0.00 N ATOM 133 CA GLY A 10 15.993 -0.576 -13.262 1.00 0.00 C ATOM 134 C GLY A 10 15.159 0.275 -14.222 1.00 0.00 C ATOM 135 O GLY A 10 14.341 -0.253 -14.974 1.00 0.00 O ATOM 0 HA2 GLY A 10 16.694 -1.189 -13.829 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.342 -1.259 -12.716 1.00 0.00 H new ATOM 139 N ARG A 11 15.395 1.577 -14.166 1.00 0.00 N ATOM 140 CA ARG A 11 14.676 2.506 -15.021 1.00 0.00 C ATOM 141 C ARG A 11 15.557 2.938 -16.195 1.00 0.00 C ATOM 142 O ARG A 11 16.438 3.783 -16.038 1.00 0.00 O ATOM 143 CB ARG A 11 14.235 3.744 -14.241 1.00 0.00 C ATOM 144 CG ARG A 11 13.202 3.381 -13.171 1.00 0.00 C ATOM 145 CD ARG A 11 13.885 2.850 -11.909 1.00 0.00 C ATOM 146 NE ARG A 11 13.491 1.443 -11.675 1.00 0.00 N ATOM 147 CZ ARG A 11 12.611 1.051 -10.726 1.00 0.00 C ATOM 148 NH1 ARG A 11 12.030 1.960 -9.916 1.00 0.00 N ATOM 149 NH2 ARG A 11 12.331 -0.233 -10.605 1.00 0.00 N ATOM 0 H ARG A 11 16.075 2.011 -13.541 1.00 0.00 H new ATOM 0 HA ARG A 11 13.791 1.993 -15.396 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.101 4.210 -13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.811 4.478 -14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.605 4.259 -12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.517 2.629 -13.562 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.968 2.921 -12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.608 3.462 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 11 13.909 0.724 -12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.254 2.950 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.367 1.657 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.776 -0.912 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.670 -0.546 -9.894 1.00 0.00 H new ATOM 159 N THR A 12 15.292 2.338 -17.346 1.00 0.00 N ATOM 160 CA THR A 12 16.049 2.650 -18.545 1.00 0.00 C ATOM 161 C THR A 12 15.228 3.541 -19.480 1.00 0.00 C ATOM 162 O THR A 12 14.355 3.054 -20.198 1.00 0.00 O ATOM 163 CB THR A 12 16.482 1.330 -19.189 1.00 0.00 C ATOM 164 OG1 THR A 12 15.254 0.692 -19.530 1.00 0.00 O ATOM 165 CG2 THR A 12 17.133 0.377 -18.186 1.00 0.00 C ATOM 0 H THR A 12 14.562 1.637 -17.473 1.00 0.00 H new ATOM 0 HA THR A 12 16.946 3.222 -18.307 1.00 0.00 H new ATOM 0 HB THR A 12 17.180 1.533 -20.002 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.616 1.362 -19.854 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.422 -0.544 -18.693 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.018 0.848 -17.758 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.424 0.146 -17.391 1.00 0.00 H new ATOM 173 N ALA A 13 15.535 4.829 -19.439 1.00 0.00 N ATOM 174 CA ALA A 13 14.834 5.791 -20.273 1.00 0.00 C ATOM 175 C ALA A 13 15.829 6.441 -21.238 1.00 0.00 C ATOM 176 O ALA A 13 16.986 6.662 -20.887 1.00 0.00 O ATOM 177 CB ALA A 13 14.130 6.818 -19.384 1.00 0.00 C ATOM 0 H ALA A 13 16.259 5.229 -18.842 1.00 0.00 H new ATOM 0 HA ALA A 13 14.068 5.297 -20.871 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.604 7.540 -20.009 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.416 6.310 -18.736 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.868 7.337 -18.773 1.00 0.00 H new ATOM 183 N LEU A 14 15.341 6.728 -22.435 1.00 0.00 N ATOM 184 CA LEU A 14 16.170 7.346 -23.455 1.00 0.00 C ATOM 185 C LEU A 14 15.479 8.610 -23.971 1.00 0.00 C ATOM 186 O LEU A 14 14.379 8.943 -23.534 1.00 0.00 O ATOM 187 CB LEU A 14 16.511 6.339 -24.554 1.00 0.00 C ATOM 188 CG LEU A 14 17.994 6.012 -24.729 1.00 0.00 C ATOM 189 CD1 LEU A 14 18.192 4.542 -25.107 1.00 0.00 C ATOM 190 CD2 LEU A 14 18.650 6.957 -25.737 1.00 0.00 C ATOM 0 H LEU A 14 14.380 6.544 -22.722 1.00 0.00 H new ATOM 0 HA LEU A 14 17.126 7.655 -23.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.977 5.411 -24.347 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.130 6.722 -25.501 1.00 0.00 H new ATOM 0 HG LEU A 14 18.492 6.167 -23.772 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.256 4.337 -25.225 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.785 3.906 -24.321 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.676 4.335 -26.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.704 6.702 -25.842 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.155 6.859 -26.703 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.559 7.985 -25.385 1.00 0.00 H new ATOM 201 N ASN A 15 16.154 9.281 -24.893 1.00 0.00 N ATOM 202 CA ASN A 15 15.620 10.501 -25.474 1.00 0.00 C ATOM 203 C ASN A 15 15.295 10.258 -26.949 1.00 0.00 C ATOM 204 O ASN A 15 16.178 9.920 -27.735 1.00 0.00 O ATOM 205 CB ASN A 15 16.636 11.641 -25.394 1.00 0.00 C ATOM 206 CG ASN A 15 16.861 12.074 -23.944 1.00 0.00 C ATOM 207 OD1 ASN A 15 15.983 11.995 -23.100 1.00 0.00 O ATOM 208 ND2 ASN A 15 18.086 12.534 -23.702 1.00 0.00 N ATOM 0 H ASN A 15 17.067 9.002 -25.252 1.00 0.00 H new ATOM 0 HA ASN A 15 14.726 10.777 -24.915 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.581 11.322 -25.833 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.283 12.489 -25.980 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.337 12.847 -22.764 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.774 12.573 -24.454 1.00 0.00 H new ATOM 214 N THR A 16 14.025 10.443 -27.281 1.00 0.00 N ATOM 215 CA THR A 16 13.573 10.249 -28.647 1.00 0.00 C ATOM 216 C THR A 16 12.949 11.536 -29.191 1.00 0.00 C ATOM 217 O THR A 16 11.868 11.936 -28.759 1.00 0.00 O ATOM 218 CB THR A 16 12.616 9.054 -28.665 1.00 0.00 C ATOM 219 OG1 THR A 16 12.091 9.049 -29.990 1.00 0.00 O ATOM 220 CG2 THR A 16 11.389 9.276 -27.779 1.00 0.00 C ATOM 0 H THR A 16 13.295 10.725 -26.626 1.00 0.00 H new ATOM 0 HA THR A 16 14.408 10.024 -29.311 1.00 0.00 H new ATOM 0 HB THR A 16 13.145 8.159 -28.336 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.462 8.304 -30.090 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.742 8.400 -27.827 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.708 9.436 -26.749 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.841 10.151 -28.129 1.00 0.00 H new ATOM 242 N ALA A 18 12.275 14.973 -29.190 1.00 0.00 N ATOM 243 CA ALA A 18 12.295 16.086 -28.255 1.00 0.00 C ATOM 244 C ALA A 18 11.470 15.722 -27.019 1.00 0.00 C ATOM 245 O ALA A 18 11.112 16.593 -26.229 1.00 0.00 O ATOM 246 CB ALA A 18 11.779 17.347 -28.951 1.00 0.00 C ATOM 0 HA ALA A 18 13.313 16.291 -27.923 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.794 18.182 -28.250 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.417 17.578 -29.804 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.758 17.181 -29.295 1.00 0.00 H new ATOM 252 N VAL A 19 11.192 14.432 -26.890 1.00 0.00 N ATOM 253 CA VAL A 19 10.416 13.943 -25.764 1.00 0.00 C ATOM 254 C VAL A 19 11.238 12.905 -24.997 1.00 0.00 C ATOM 255 O VAL A 19 12.264 12.435 -25.487 1.00 0.00 O ATOM 256 CB VAL A 19 9.072 13.399 -26.252 1.00 0.00 C ATOM 257 CG1 VAL A 19 8.265 14.488 -26.962 1.00 0.00 C ATOM 258 CG2 VAL A 19 9.268 12.183 -27.159 1.00 0.00 C ATOM 0 H VAL A 19 11.491 13.711 -27.547 1.00 0.00 H new ATOM 0 HA VAL A 19 10.191 14.755 -25.073 1.00 0.00 H new ATOM 0 HB VAL A 19 8.505 13.077 -25.379 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.314 14.075 -27.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.079 15.311 -26.272 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.826 14.855 -27.821 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.297 11.817 -27.491 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.864 12.468 -28.026 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.783 11.397 -26.607 1.00 0.00 H new ATOM 268 N GLN A 20 10.756 12.579 -23.807 1.00 0.00 N ATOM 269 CA GLN A 20 11.433 11.605 -22.967 1.00 0.00 C ATOM 270 C GLN A 20 10.603 10.324 -22.863 1.00 0.00 C ATOM 271 O GLN A 20 9.410 10.377 -22.570 1.00 0.00 O ATOM 272 CB GLN A 20 11.724 12.184 -21.581 1.00 0.00 C ATOM 273 CG GLN A 20 13.202 12.553 -21.441 1.00 0.00 C ATOM 274 CD GLN A 20 13.364 14.011 -21.004 1.00 0.00 C ATOM 275 OE1 GLN A 20 13.660 14.893 -21.792 1.00 0.00 O ATOM 276 NE2 GLN A 20 13.156 14.211 -19.704 1.00 0.00 N ATOM 0 H GLN A 20 9.905 12.972 -23.404 1.00 0.00 H new ATOM 0 HA GLN A 20 12.389 11.358 -23.430 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.108 13.067 -21.415 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.453 11.458 -20.815 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.677 11.896 -20.712 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.711 12.396 -22.392 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.911 13.426 -19.100 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.242 15.149 -19.312 1.00 0.00 H new ATOM 283 N LYS A 21 11.266 9.204 -23.108 1.00 0.00 N ATOM 284 CA LYS A 21 10.605 7.913 -23.045 1.00 0.00 C ATOM 285 C LYS A 21 11.252 7.065 -21.949 1.00 0.00 C ATOM 286 O LYS A 21 12.447 6.778 -22.005 1.00 0.00 O ATOM 287 CB LYS A 21 10.605 7.243 -24.421 1.00 0.00 C ATOM 288 CG LYS A 21 9.379 7.663 -25.236 1.00 0.00 C ATOM 289 CD LYS A 21 9.356 6.959 -26.594 1.00 0.00 C ATOM 290 CE LYS A 21 8.808 5.537 -26.465 1.00 0.00 C ATOM 291 NZ LYS A 21 9.009 4.786 -27.725 1.00 0.00 N ATOM 0 H LYS A 21 12.256 9.164 -23.351 1.00 0.00 H new ATOM 0 HA LYS A 21 9.556 8.036 -22.775 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.514 7.511 -24.960 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.613 6.160 -24.302 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.471 7.424 -24.683 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.388 8.743 -25.382 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.741 7.527 -27.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.364 6.928 -27.009 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.307 5.022 -25.644 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.746 5.571 -26.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.631 3.823 -27.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.512 5.270 -28.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.025 4.737 -27.942 1.00 0.00 H new ATOM 300 N TRP A 22 10.434 6.686 -20.977 1.00 0.00 N ATOM 301 CA TRP A 22 10.914 5.877 -19.869 1.00 0.00 C ATOM 302 C TRP A 22 10.383 4.454 -20.060 1.00 0.00 C ATOM 303 O TRP A 22 9.178 4.249 -20.192 1.00 0.00 O ATOM 304 CB TRP A 22 10.509 6.490 -18.528 1.00 0.00 C ATOM 305 CG TRP A 22 11.350 7.701 -18.118 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.537 8.842 -18.794 1.00 0.00 C ATOM 307 CD2 TRP A 22 12.115 7.845 -16.902 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.363 9.708 -18.108 1.00 0.00 N ATOM 309 CE2 TRP A 22 12.725 9.082 -16.921 1.00 0.00 C ATOM 310 CE3 TRP A 22 12.284 6.961 -15.824 1.00 0.00 C ATOM 311 CZ2 TRP A 22 13.547 9.547 -15.886 1.00 0.00 C ATOM 312 CZ3 TRP A 22 13.109 7.439 -14.799 1.00 0.00 C ATOM 313 CH2 TRP A 22 13.732 8.682 -14.801 1.00 0.00 C ATOM 0 H TRP A 22 9.443 6.924 -20.934 1.00 0.00 H new ATOM 0 HA TRP A 22 12.003 5.845 -19.857 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.462 6.788 -18.578 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.587 5.727 -17.753 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.096 9.057 -19.756 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.654 10.636 -18.415 1.00 0.00 H new ATOM 0 HE3 TRP A 22 11.815 5.989 -15.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.013 10.521 -15.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 13.273 6.797 -13.946 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.355 8.978 -13.970 1.00 0.00 H new ATOM 323 N HIS A 23 11.311 3.508 -20.068 1.00 0.00 N ATOM 324 CA HIS A 23 10.953 2.110 -20.240 1.00 0.00 C ATOM 325 C HIS A 23 11.256 1.341 -18.953 1.00 0.00 C ATOM 326 O HIS A 23 12.309 1.530 -18.345 1.00 0.00 O ATOM 327 CB HIS A 23 11.653 1.517 -21.464 1.00 0.00 C ATOM 328 CG HIS A 23 10.964 1.823 -22.773 1.00 0.00 C ATOM 329 ND1 HIS A 23 9.659 1.447 -23.039 1.00 0.00 N ATOM 330 CD2 HIS A 23 11.413 2.470 -23.886 1.00 0.00 C ATOM 331 CE1 HIS A 23 9.347 1.856 -24.260 1.00 0.00 C ATOM 332 NE2 HIS A 23 10.436 2.490 -24.784 1.00 0.00 N ATOM 0 H HIS A 23 12.310 3.682 -19.958 1.00 0.00 H new ATOM 0 HA HIS A 23 9.883 2.025 -20.429 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.674 1.896 -21.505 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.719 0.436 -21.344 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.398 2.895 -24.015 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.397 1.713 -24.754 1.00 0.00 H new ATOM 0 HE2 HIS A 23 10.490 2.910 -25.712 1.00 0.00 H new ATOM 339 N PHE A 24 10.314 0.489 -18.575 1.00 0.00 N ATOM 340 CA PHE A 24 10.467 -0.310 -17.372 1.00 0.00 C ATOM 341 C PHE A 24 10.232 -1.793 -17.664 1.00 0.00 C ATOM 342 O PHE A 24 9.151 -2.178 -18.108 1.00 0.00 O ATOM 343 CB PHE A 24 9.411 0.174 -16.376 1.00 0.00 C ATOM 344 CG PHE A 24 9.584 1.633 -15.947 1.00 0.00 C ATOM 345 CD1 PHE A 24 9.190 2.635 -16.775 1.00 0.00 C ATOM 346 CD2 PHE A 24 10.129 1.925 -14.736 1.00 0.00 C ATOM 347 CE1 PHE A 24 9.350 3.989 -16.377 1.00 0.00 C ATOM 348 CE2 PHE A 24 10.290 3.279 -14.338 1.00 0.00 C ATOM 349 CZ PHE A 24 9.896 4.283 -15.167 1.00 0.00 C ATOM 0 H PHE A 24 9.442 0.335 -19.081 1.00 0.00 H new ATOM 0 HA PHE A 24 11.478 -0.200 -16.980 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.423 0.051 -16.821 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.443 -0.461 -15.491 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.755 2.402 -17.736 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.439 1.128 -14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.038 4.786 -17.036 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.725 3.511 -13.377 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.017 5.313 -14.864 1.00 0.00 H new ATOM 358 N VAL A 25 11.262 -2.585 -17.404 1.00 0.00 N ATOM 359 CA VAL A 25 11.181 -4.018 -17.634 1.00 0.00 C ATOM 360 C VAL A 25 11.502 -4.758 -16.335 1.00 0.00 C ATOM 361 O VAL A 25 12.648 -4.775 -15.892 1.00 0.00 O ATOM 362 CB VAL A 25 12.101 -4.415 -18.791 1.00 0.00 C ATOM 363 CG1 VAL A 25 12.079 -5.929 -19.013 1.00 0.00 C ATOM 364 CG2 VAL A 25 11.725 -3.667 -20.072 1.00 0.00 C ATOM 0 H VAL A 25 12.157 -2.262 -17.036 1.00 0.00 H new ATOM 0 HA VAL A 25 10.170 -4.301 -17.928 1.00 0.00 H new ATOM 0 HB VAL A 25 13.119 -4.130 -18.524 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.741 -6.185 -19.840 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.417 -6.434 -18.108 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.064 -6.247 -19.249 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.394 -3.967 -20.878 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.697 -3.907 -20.345 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.816 -2.593 -19.906 1.00 0.00 H new ATOM 374 N LEU A 26 10.466 -5.352 -15.759 1.00 0.00 N ATOM 375 CA LEU A 26 10.623 -6.092 -14.518 1.00 0.00 C ATOM 376 C LEU A 26 10.097 -7.516 -14.708 1.00 0.00 C ATOM 377 O LEU A 26 9.038 -7.865 -14.188 1.00 0.00 O ATOM 378 CB LEU A 26 9.962 -5.342 -13.360 1.00 0.00 C ATOM 379 CG LEU A 26 10.866 -5.017 -12.169 1.00 0.00 C ATOM 380 CD1 LEU A 26 10.556 -3.629 -11.607 1.00 0.00 C ATOM 381 CD2 LEU A 26 10.771 -6.105 -11.096 1.00 0.00 C ATOM 0 H LEU A 26 9.516 -5.336 -16.129 1.00 0.00 H new ATOM 0 HA LEU A 26 11.677 -6.174 -14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.552 -4.408 -13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.121 -5.936 -13.001 1.00 0.00 H new ATOM 0 HG LEU A 26 11.898 -4.998 -12.519 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.213 -3.424 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.716 -2.879 -12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.518 -3.594 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.423 -5.850 -10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.742 -6.180 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.080 -7.061 -11.519 1.00 0.00 H new ATOM 406 N GLY A 28 8.164 -9.971 -16.252 1.00 0.00 N ATOM 407 CA GLY A 28 6.991 -10.061 -17.105 1.00 0.00 C ATOM 408 C GLY A 28 6.171 -8.771 -17.047 1.00 0.00 C ATOM 409 O GLY A 28 5.212 -8.606 -17.800 1.00 0.00 O ATOM 0 HA2 GLY A 28 7.298 -10.255 -18.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.373 -10.903 -16.793 1.00 0.00 H new ATOM 413 N TYR A 29 6.578 -7.888 -16.147 1.00 0.00 N ATOM 414 CA TYR A 29 5.893 -6.619 -15.981 1.00 0.00 C ATOM 415 C TYR A 29 6.641 -5.493 -16.698 1.00 0.00 C ATOM 416 O TYR A 29 7.671 -5.023 -16.218 1.00 0.00 O ATOM 417 CB TYR A 29 5.890 -6.335 -14.478 1.00 0.00 C ATOM 418 CG TYR A 29 4.815 -7.098 -13.702 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.655 -8.455 -13.899 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.004 -6.431 -12.805 1.00 0.00 C ATOM 421 CE1 TYR A 29 3.643 -9.174 -13.169 1.00 0.00 C ATOM 422 CE2 TYR A 29 2.993 -7.151 -12.076 1.00 0.00 C ATOM 423 CZ TYR A 29 2.861 -8.486 -12.294 1.00 0.00 C ATOM 424 OH TYR A 29 1.905 -9.166 -11.604 1.00 0.00 O ATOM 0 H TYR A 29 7.374 -8.027 -15.525 1.00 0.00 H new ATOM 0 HA TYR A 29 4.888 -6.669 -16.400 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.868 -6.589 -14.069 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.747 -5.266 -14.321 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.289 -8.977 -14.600 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.128 -5.369 -12.651 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.508 -10.236 -13.313 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.353 -6.641 -11.371 1.00 0.00 H new ATOM 0 HH TYR A 29 1.424 -8.547 -11.016 1.00 0.00 H new ATOM 433 N LYS A 30 6.094 -5.094 -17.837 1.00 0.00 N ATOM 434 CA LYS A 30 6.697 -4.033 -18.626 1.00 0.00 C ATOM 435 C LYS A 30 5.803 -2.791 -18.571 1.00 0.00 C ATOM 436 O LYS A 30 4.675 -2.814 -19.057 1.00 0.00 O ATOM 437 CB LYS A 30 6.985 -4.520 -20.047 1.00 0.00 C ATOM 438 CG LYS A 30 7.603 -3.406 -20.894 1.00 0.00 C ATOM 439 CD LYS A 30 8.253 -3.972 -22.157 1.00 0.00 C ATOM 440 CE LYS A 30 7.346 -3.779 -23.374 1.00 0.00 C ATOM 441 NZ LYS A 30 6.966 -5.089 -23.952 1.00 0.00 N ATOM 0 H LYS A 30 5.240 -5.486 -18.232 1.00 0.00 H new ATOM 0 HA LYS A 30 7.663 -3.750 -18.208 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.662 -5.374 -20.012 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.061 -4.865 -20.511 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.834 -2.685 -21.169 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.348 -2.869 -20.307 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.210 -3.479 -22.330 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.461 -5.033 -22.019 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.450 -3.230 -23.084 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.859 -3.179 -24.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.351 -4.939 -24.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.822 -5.600 -24.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.458 -5.649 -23.238 1.00 0.00 H new ATOM 450 N CYS A 31 6.343 -1.739 -17.974 1.00 0.00 N ATOM 451 CA CYS A 31 5.610 -0.492 -17.848 1.00 0.00 C ATOM 452 C CYS A 31 6.261 0.543 -18.768 1.00 0.00 C ATOM 453 O CYS A 31 7.426 0.893 -18.587 1.00 0.00 O ATOM 454 CB CYS A 31 5.555 -0.011 -16.397 1.00 0.00 C ATOM 455 SG CYS A 31 4.516 -1.033 -15.289 1.00 0.00 S ATOM 0 H CYS A 31 7.280 -1.725 -17.572 1.00 0.00 H new ATOM 0 HA CYS A 31 4.574 -0.645 -18.150 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.569 0.015 -15.999 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.180 1.012 -16.382 1.00 0.00 H new ATOM 459 N GLU A 32 5.481 1.004 -19.734 1.00 0.00 N ATOM 460 CA GLU A 32 5.968 1.991 -20.683 1.00 0.00 C ATOM 461 C GLU A 32 5.216 3.311 -20.505 1.00 0.00 C ATOM 462 O GLU A 32 3.987 3.342 -20.549 1.00 0.00 O ATOM 463 CB GLU A 32 5.844 1.478 -22.120 1.00 0.00 C ATOM 464 CG GLU A 32 4.387 1.179 -22.473 1.00 0.00 C ATOM 465 CD GLU A 32 4.210 1.017 -23.983 1.00 0.00 C ATOM 466 OE1 GLU A 32 4.577 1.919 -24.750 1.00 0.00 O ATOM 467 OE2 GLU A 32 3.671 -0.096 -24.353 1.00 0.00 O ATOM 0 H GLU A 32 4.515 0.712 -19.880 1.00 0.00 H new ATOM 0 HA GLU A 32 7.025 2.167 -20.486 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.244 2.221 -22.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.443 0.576 -22.240 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.066 0.269 -21.966 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.749 1.986 -22.113 1.00 0.00 H new ATOM 473 N ILE A 33 5.986 4.372 -20.309 1.00 0.00 N ATOM 474 CA ILE A 33 5.409 5.692 -20.124 1.00 0.00 C ATOM 475 C ILE A 33 6.075 6.674 -21.091 1.00 0.00 C ATOM 476 O ILE A 33 7.300 6.727 -21.180 1.00 0.00 O ATOM 477 CB ILE A 33 5.500 6.117 -18.658 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.958 6.268 -18.219 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.728 5.148 -17.758 1.00 0.00 C ATOM 480 CD1 ILE A 33 7.055 7.015 -16.886 1.00 0.00 C ATOM 0 H ILE A 33 7.005 4.344 -20.274 1.00 0.00 H new ATOM 0 HA ILE A 33 4.345 5.679 -20.362 1.00 0.00 H new ATOM 0 HB ILE A 33 5.031 7.096 -18.557 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.416 5.284 -18.123 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.518 6.807 -18.983 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.808 5.473 -16.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.679 5.134 -18.054 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.146 4.147 -17.858 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.102 7.109 -16.597 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.618 8.008 -16.993 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.515 6.461 -16.118 1.00 0.00 H new ATOM 491 N LEU A 34 5.238 7.427 -21.789 1.00 0.00 N ATOM 492 CA LEU A 34 5.729 8.405 -22.744 1.00 0.00 C ATOM 493 C LEU A 34 5.372 9.811 -22.259 1.00 0.00 C ATOM 494 O LEU A 34 4.201 10.186 -22.240 1.00 0.00 O ATOM 495 CB LEU A 34 5.211 8.088 -24.149 1.00 0.00 C ATOM 496 CG LEU A 34 5.241 9.245 -25.151 1.00 0.00 C ATOM 497 CD1 LEU A 34 6.677 9.565 -25.571 1.00 0.00 C ATOM 498 CD2 LEU A 34 4.344 8.950 -26.354 1.00 0.00 C ATOM 0 H LEU A 34 4.222 7.379 -21.712 1.00 0.00 H new ATOM 0 HA LEU A 34 6.816 8.359 -22.812 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.800 7.266 -24.555 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.184 7.733 -24.065 1.00 0.00 H new ATOM 0 HG LEU A 34 4.842 10.134 -24.662 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.672 10.390 -26.283 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.259 9.846 -24.693 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.124 8.687 -26.036 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.383 9.787 -27.051 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.691 8.046 -26.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.318 8.807 -26.016 1.00 0.00 H new ATOM 509 N ALA A 35 6.403 10.552 -21.881 1.00 0.00 N ATOM 510 CA ALA A 35 6.213 11.908 -21.395 1.00 0.00 C ATOM 511 C ALA A 35 6.990 12.877 -22.289 1.00 0.00 C ATOM 512 O ALA A 35 7.905 12.470 -23.006 1.00 0.00 O ATOM 513 CB ALA A 35 6.644 11.992 -19.931 1.00 0.00 C ATOM 0 H ALA A 35 7.373 10.239 -21.902 1.00 0.00 H new ATOM 0 HA ALA A 35 5.161 12.188 -21.440 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.501 13.010 -19.567 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.043 11.306 -19.335 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.696 11.721 -19.845 1.00 0.00 H new ATOM 571 N LYS B 5 -15.125 -10.682 -17.860 1.00 0.00 N ATOM 572 CA LYS B 5 -14.227 -9.570 -17.595 1.00 0.00 C ATOM 573 C LYS B 5 -13.969 -9.474 -16.092 1.00 0.00 C ATOM 574 O LYS B 5 -14.895 -9.590 -15.290 1.00 0.00 O ATOM 575 CB LYS B 5 -14.777 -8.282 -18.209 1.00 0.00 C ATOM 576 CG LYS B 5 -16.025 -7.807 -17.462 1.00 0.00 C ATOM 577 CD LYS B 5 -16.268 -6.314 -17.694 1.00 0.00 C ATOM 578 CE LYS B 5 -17.148 -5.724 -16.589 1.00 0.00 C ATOM 579 NZ LYS B 5 -17.120 -4.245 -16.638 1.00 0.00 N ATOM 0 HA LYS B 5 -13.262 -9.737 -18.072 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -14.013 -7.505 -18.178 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.019 -8.450 -19.258 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.892 -8.376 -17.796 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -15.910 -7.999 -16.395 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -15.314 -5.787 -17.725 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -16.746 -6.166 -18.663 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -18.172 -6.078 -16.704 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -16.799 -6.068 -15.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -17.722 -3.861 -15.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -16.144 -3.912 -16.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -17.475 -3.921 -17.561 1.00 0.00 H new ATOM 588 N PHE B 6 -12.705 -9.263 -15.753 1.00 0.00 N ATOM 589 CA PHE B 6 -12.314 -9.150 -14.359 1.00 0.00 C ATOM 590 C PHE B 6 -11.740 -7.763 -14.062 1.00 0.00 C ATOM 591 O PHE B 6 -10.707 -7.383 -14.613 1.00 0.00 O ATOM 592 CB PHE B 6 -11.231 -10.201 -14.110 1.00 0.00 C ATOM 593 CG PHE B 6 -11.756 -11.505 -13.507 1.00 0.00 C ATOM 594 CD1 PHE B 6 -12.284 -11.510 -12.254 1.00 0.00 C ATOM 595 CD2 PHE B 6 -11.694 -12.660 -14.222 1.00 0.00 C ATOM 596 CE1 PHE B 6 -12.771 -12.720 -11.693 1.00 0.00 C ATOM 597 CE2 PHE B 6 -12.181 -13.871 -13.662 1.00 0.00 C ATOM 598 CZ PHE B 6 -12.710 -13.875 -12.409 1.00 0.00 C ATOM 0 H PHE B 6 -11.939 -9.167 -16.420 1.00 0.00 H new ATOM 0 HA PHE B 6 -13.181 -9.301 -13.716 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -10.732 -10.424 -15.053 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -10.478 -9.781 -13.443 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -12.333 -10.593 -11.685 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -11.274 -12.656 -15.217 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -13.190 -12.723 -10.698 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -12.131 -14.788 -14.231 1.00 0.00 H new ATOM 0 HZ PHE B 6 -13.082 -14.795 -11.983 1.00 0.00 H new ATOM 607 N THR B 7 -12.432 -7.046 -13.188 1.00 0.00 N ATOM 608 CA THR B 7 -12.003 -5.709 -12.812 1.00 0.00 C ATOM 609 C THR B 7 -11.654 -5.662 -11.323 1.00 0.00 C ATOM 610 O THR B 7 -12.544 -5.660 -10.472 1.00 0.00 O ATOM 611 CB THR B 7 -13.108 -4.729 -13.208 1.00 0.00 C ATOM 612 OG1 THR B 7 -13.021 -4.664 -14.629 1.00 0.00 O ATOM 613 CG2 THR B 7 -12.814 -3.298 -12.751 1.00 0.00 C ATOM 0 H THR B 7 -13.286 -7.365 -12.730 1.00 0.00 H new ATOM 0 HA THR B 7 -11.092 -5.423 -13.338 1.00 0.00 H new ATOM 0 HB THR B 7 -14.055 -5.059 -12.781 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.705 -4.051 -14.971 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.630 -2.643 -13.058 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.719 -3.275 -11.665 1.00 0.00 H new ATOM 0 HG23 THR B 7 -11.884 -2.955 -13.204 1.00 0.00 H new ATOM 621 N VAL B 8 -10.357 -5.623 -11.053 1.00 0.00 N ATOM 622 CA VAL B 8 -9.879 -5.575 -9.681 1.00 0.00 C ATOM 623 C VAL B 8 -9.362 -4.169 -9.375 1.00 0.00 C ATOM 624 O VAL B 8 -8.235 -3.827 -9.732 1.00 0.00 O ATOM 625 CB VAL B 8 -8.829 -6.663 -9.456 1.00 0.00 C ATOM 626 CG1 VAL B 8 -7.606 -6.437 -10.347 1.00 0.00 C ATOM 627 CG2 VAL B 8 -8.425 -6.738 -7.981 1.00 0.00 C ATOM 0 H VAL B 8 -9.623 -5.624 -11.761 1.00 0.00 H new ATOM 0 HA VAL B 8 -10.692 -5.779 -8.984 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.273 -7.619 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -6.874 -7.225 -10.167 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -7.910 -6.456 -11.394 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -7.161 -5.469 -10.116 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -7.677 -7.520 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.009 -5.780 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -9.301 -6.967 -7.375 1.00 0.00 H new ATOM 651 N GLY B 10 -8.776 -0.959 -10.214 1.00 0.00 N ATOM 652 CA GLY B 10 -8.677 -0.116 -11.394 1.00 0.00 C ATOM 653 C GLY B 10 -7.950 -0.843 -12.527 1.00 0.00 C ATOM 654 O GLY B 10 -7.722 -0.270 -13.590 1.00 0.00 O ATOM 0 HA2 GLY B 10 -9.675 0.173 -11.724 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -8.145 0.802 -11.146 1.00 0.00 H new ATOM 658 N ARG B 11 -7.607 -2.095 -12.260 1.00 0.00 N ATOM 659 CA ARG B 11 -6.912 -2.906 -13.245 1.00 0.00 C ATOM 660 C ARG B 11 -7.885 -3.874 -13.920 1.00 0.00 C ATOM 661 O ARG B 11 -8.473 -4.729 -13.259 1.00 0.00 O ATOM 662 CB ARG B 11 -5.777 -3.704 -12.598 1.00 0.00 C ATOM 663 CG ARG B 11 -4.674 -4.009 -13.613 1.00 0.00 C ATOM 664 CD ARG B 11 -3.586 -4.887 -12.993 1.00 0.00 C ATOM 665 NE ARG B 11 -2.578 -4.042 -12.316 1.00 0.00 N ATOM 666 CZ ARG B 11 -2.251 -4.152 -11.011 1.00 0.00 C ATOM 667 NH1 ARG B 11 -2.853 -5.074 -10.229 1.00 0.00 N ATOM 668 NH2 ARG B 11 -1.336 -3.343 -10.510 1.00 0.00 N ATOM 0 H ARG B 11 -7.797 -2.567 -11.376 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.490 -2.232 -13.991 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.362 -3.140 -11.763 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.169 -4.636 -12.190 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -5.102 -4.512 -14.480 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.235 -3.077 -13.969 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.030 -5.580 -12.279 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -3.108 -5.488 -13.766 1.00 0.00 H new ATOM 0 HE ARG B 11 -2.100 -3.332 -12.870 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -3.561 -5.694 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -2.600 -5.151 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -0.888 -2.648 -11.107 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -1.077 -3.413 -9.526 1.00 0.00 H new ATOM 678 N THR B 12 -8.026 -3.706 -15.226 1.00 0.00 N ATOM 679 CA THR B 12 -8.919 -4.554 -15.998 1.00 0.00 C ATOM 680 C THR B 12 -8.123 -5.634 -16.736 1.00 0.00 C ATOM 681 O THR B 12 -7.229 -5.324 -17.522 1.00 0.00 O ATOM 682 CB THR B 12 -9.735 -3.658 -16.930 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.589 -4.563 -17.623 1.00 0.00 O ATOM 684 CG2 THR B 12 -8.883 -3.030 -18.035 1.00 0.00 C ATOM 0 H THR B 12 -7.537 -2.995 -15.770 1.00 0.00 H new ATOM 0 HA THR B 12 -9.613 -5.090 -15.351 1.00 0.00 H new ATOM 0 HB THR B 12 -10.212 -2.870 -16.348 1.00 0.00 H new ATOM 0 HG1 THR B 12 -11.155 -4.064 -18.248 1.00 0.00 H new ATOM 0 HG21 THR B 12 -9.512 -2.404 -18.668 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.098 -2.421 -17.587 1.00 0.00 H new ATOM 0 HG23 THR B 12 -8.431 -3.818 -18.638 1.00 0.00 H new ATOM 692 N ALA B 13 -8.478 -6.879 -16.457 1.00 0.00 N ATOM 693 CA ALA B 13 -7.809 -8.007 -17.086 1.00 0.00 C ATOM 694 C ALA B 13 -8.857 -8.945 -17.687 1.00 0.00 C ATOM 695 O ALA B 13 -9.953 -9.086 -17.147 1.00 0.00 O ATOM 696 CB ALA B 13 -6.918 -8.709 -16.058 1.00 0.00 C ATOM 0 H ALA B 13 -9.220 -7.133 -15.804 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.166 -7.668 -17.898 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -6.416 -9.555 -16.528 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.173 -8.008 -15.683 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -7.530 -9.066 -15.229 1.00 0.00 H new ATOM 702 N LEU B 14 -8.482 -9.564 -18.797 1.00 0.00 N ATOM 703 CA LEU B 14 -9.375 -10.485 -19.477 1.00 0.00 C ATOM 704 C LEU B 14 -8.721 -11.867 -19.545 1.00 0.00 C ATOM 705 O LEU B 14 -7.526 -12.006 -19.291 1.00 0.00 O ATOM 706 CB LEU B 14 -9.778 -9.930 -20.845 1.00 0.00 C ATOM 707 CG LEU B 14 -11.139 -9.232 -20.910 1.00 0.00 C ATOM 708 CD1 LEU B 14 -11.098 -8.038 -21.867 1.00 0.00 C ATOM 709 CD2 LEU B 14 -12.245 -10.223 -21.278 1.00 0.00 C ATOM 0 H LEU B 14 -7.572 -9.445 -19.242 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.303 -10.597 -18.917 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -9.013 -9.224 -21.168 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.778 -10.750 -21.563 1.00 0.00 H new ATOM 0 HG LEU B 14 -11.371 -8.842 -19.919 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -12.077 -7.560 -21.895 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -10.354 -7.320 -21.522 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -10.834 -8.382 -22.867 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -13.202 -9.702 -21.318 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -12.030 -10.662 -22.252 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -12.292 -11.011 -20.527 1.00 0.00 H new ATOM 720 N ASN B 15 -9.534 -12.855 -19.889 1.00 0.00 N ATOM 721 CA ASN B 15 -9.050 -14.221 -19.993 1.00 0.00 C ATOM 722 C ASN B 15 -9.191 -14.700 -21.439 1.00 0.00 C ATOM 723 O ASN B 15 -10.305 -14.869 -21.936 1.00 0.00 O ATOM 724 CB ASN B 15 -9.863 -15.163 -19.102 1.00 0.00 C ATOM 725 CG ASN B 15 -9.290 -16.581 -19.136 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.258 -16.847 -19.731 1.00 0.00 O ATOM 727 ND2 ASN B 15 -10.014 -17.475 -18.468 1.00 0.00 N ATOM 0 H ASN B 15 -10.525 -12.737 -20.099 1.00 0.00 H new ATOM 0 HA ASN B 15 -8.007 -14.234 -19.675 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -9.862 -14.791 -18.077 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -10.901 -15.178 -19.435 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -9.715 -18.449 -18.432 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.868 -17.186 -17.991 1.00 0.00 H new ATOM 733 N THR B 16 -8.047 -14.904 -22.075 1.00 0.00 N ATOM 734 CA THR B 16 -8.029 -15.359 -23.456 1.00 0.00 C ATOM 735 C THR B 16 -7.601 -16.825 -23.528 1.00 0.00 C ATOM 736 O THR B 16 -6.409 -17.129 -23.516 1.00 0.00 O ATOM 737 CB THR B 16 -7.119 -14.420 -24.251 1.00 0.00 C ATOM 738 OG1 THR B 16 -7.906 -13.247 -24.432 1.00 0.00 O ATOM 739 CG2 THR B 16 -6.864 -14.921 -25.674 1.00 0.00 C ATOM 0 H THR B 16 -7.126 -14.763 -21.660 1.00 0.00 H new ATOM 0 HA THR B 16 -9.025 -15.322 -23.898 1.00 0.00 H new ATOM 0 HB THR B 16 -6.168 -14.306 -23.730 1.00 0.00 H new ATOM 0 HG1 THR B 16 -7.392 -12.583 -24.937 1.00 0.00 H new ATOM 0 HG21 THR B 16 -6.213 -14.219 -26.196 1.00 0.00 H new ATOM 0 HG22 THR B 16 -6.385 -15.900 -25.635 1.00 0.00 H new ATOM 0 HG23 THR B 16 -7.812 -15.002 -26.207 1.00 0.00 H new ATOM 761 N ALA B 18 -6.628 -19.766 -22.124 1.00 0.00 N ATOM 762 CA ALA B 18 -6.078 -20.269 -20.877 1.00 0.00 C ATOM 763 C ALA B 18 -4.948 -19.349 -20.413 1.00 0.00 C ATOM 764 O ALA B 18 -4.163 -19.713 -19.539 1.00 0.00 O ATOM 765 CB ALA B 18 -5.612 -21.714 -21.070 1.00 0.00 C ATOM 0 HA ALA B 18 -6.839 -20.273 -20.097 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -5.199 -22.091 -20.134 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -6.458 -22.332 -21.369 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.846 -21.749 -21.845 1.00 0.00 H new ATOM 771 N VAL B 19 -4.900 -18.173 -21.022 1.00 0.00 N ATOM 772 CA VAL B 19 -3.876 -17.197 -20.682 1.00 0.00 C ATOM 773 C VAL B 19 -4.532 -15.993 -20.002 1.00 0.00 C ATOM 774 O VAL B 19 -5.654 -15.619 -20.342 1.00 0.00 O ATOM 775 CB VAL B 19 -3.081 -16.816 -21.933 1.00 0.00 C ATOM 776 CG1 VAL B 19 -2.119 -15.664 -21.641 1.00 0.00 C ATOM 777 CG2 VAL B 19 -2.333 -18.026 -22.495 1.00 0.00 C ATOM 0 H VAL B 19 -5.552 -17.874 -21.747 1.00 0.00 H new ATOM 0 HA VAL B 19 -3.163 -17.622 -19.976 1.00 0.00 H new ATOM 0 HB VAL B 19 -3.788 -16.477 -22.690 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.566 -15.413 -22.546 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -2.684 -14.794 -21.308 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.420 -15.963 -20.860 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -1.776 -17.729 -23.384 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.641 -18.407 -21.744 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -3.048 -18.805 -22.759 1.00 0.00 H new ATOM 787 N GLN B 20 -3.805 -15.421 -19.054 1.00 0.00 N ATOM 788 CA GLN B 20 -4.303 -14.268 -18.324 1.00 0.00 C ATOM 789 C GLN B 20 -3.574 -12.999 -18.773 1.00 0.00 C ATOM 790 O GLN B 20 -2.350 -12.915 -18.673 1.00 0.00 O ATOM 791 CB GLN B 20 -4.165 -14.474 -16.814 1.00 0.00 C ATOM 792 CG GLN B 20 -5.222 -15.449 -16.295 1.00 0.00 C ATOM 793 CD GLN B 20 -6.488 -14.705 -15.862 1.00 0.00 C ATOM 794 OE1 GLN B 20 -6.561 -13.488 -15.881 1.00 0.00 O ATOM 795 NE2 GLN B 20 -7.478 -15.504 -15.474 1.00 0.00 N ATOM 0 H GLN B 20 -2.875 -15.734 -18.775 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.364 -14.152 -18.547 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -3.170 -14.855 -16.585 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.265 -13.517 -16.302 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -5.469 -16.172 -17.073 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -4.820 -16.012 -15.452 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -7.350 -16.516 -15.483 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -8.365 -15.105 -15.168 1.00 0.00 H new ATOM 802 N LYS B 21 -4.355 -12.046 -19.258 1.00 0.00 N ATOM 803 CA LYS B 21 -3.798 -10.787 -19.723 1.00 0.00 C ATOM 804 C LYS B 21 -4.391 -9.640 -18.902 1.00 0.00 C ATOM 805 O LYS B 21 -5.598 -9.402 -18.942 1.00 0.00 O ATOM 806 CB LYS B 21 -4.003 -10.635 -21.232 1.00 0.00 C ATOM 807 CG LYS B 21 -2.665 -10.459 -21.952 1.00 0.00 C ATOM 808 CD LYS B 21 -2.605 -11.319 -23.216 1.00 0.00 C ATOM 809 CE LYS B 21 -2.471 -10.448 -24.466 1.00 0.00 C ATOM 810 NZ LYS B 21 -3.651 -10.618 -25.345 1.00 0.00 N ATOM 0 H LYS B 21 -5.369 -12.120 -19.339 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.719 -10.766 -19.569 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.518 -11.513 -21.623 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.643 -9.775 -21.431 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.524 -9.410 -22.214 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.849 -10.732 -21.283 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.760 -12.005 -23.154 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.506 -11.929 -23.288 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.372 -9.401 -24.178 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.564 -10.717 -25.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.544 -10.020 -26.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.728 -11.614 -25.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -4.511 -10.340 -24.830 1.00 0.00 H new ATOM 819 N TRP B 22 -3.515 -8.956 -18.181 1.00 0.00 N ATOM 820 CA TRP B 22 -3.936 -7.840 -17.354 1.00 0.00 C ATOM 821 C TRP B 22 -3.388 -6.555 -17.979 1.00 0.00 C ATOM 822 O TRP B 22 -2.178 -6.410 -18.147 1.00 0.00 O ATOM 823 CB TRP B 22 -3.494 -8.034 -15.902 1.00 0.00 C ATOM 824 CG TRP B 22 -4.157 -9.221 -15.202 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.355 -10.457 -15.683 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.706 -9.237 -13.868 1.00 0.00 C ATOM 827 NE1 TRP B 22 -4.989 -11.264 -14.761 1.00 0.00 N ATOM 828 CE2 TRP B 22 -5.209 -10.498 -13.621 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.775 -8.218 -12.902 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -5.817 -10.858 -12.413 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -5.386 -8.593 -11.699 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.898 -9.859 -11.435 1.00 0.00 C ATOM 0 H TRP B 22 -2.515 -9.154 -18.153 1.00 0.00 H new ATOM 0 HA TRP B 22 -5.024 -7.775 -17.320 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.413 -8.169 -15.877 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -3.715 -7.126 -15.342 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.056 -10.780 -16.669 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -5.248 -12.242 -14.891 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -4.388 -7.225 -13.074 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.203 -11.852 -12.244 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -5.465 -7.847 -10.922 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -6.356 -10.071 -10.480 1.00 0.00 H new ATOM 842 N HIS B 23 -4.304 -5.656 -18.305 1.00 0.00 N ATOM 843 CA HIS B 23 -3.929 -4.389 -18.909 1.00 0.00 C ATOM 844 C HIS B 23 -4.209 -3.250 -17.926 1.00 0.00 C ATOM 845 O HIS B 23 -5.176 -3.302 -17.168 1.00 0.00 O ATOM 846 CB HIS B 23 -4.630 -4.197 -20.254 1.00 0.00 C ATOM 847 CG HIS B 23 -4.186 -5.168 -21.322 1.00 0.00 C ATOM 848 ND1 HIS B 23 -3.446 -4.782 -22.426 1.00 0.00 N ATOM 849 CD2 HIS B 23 -4.385 -6.511 -21.443 1.00 0.00 C ATOM 850 CE1 HIS B 23 -3.216 -5.851 -23.171 1.00 0.00 C ATOM 851 NE2 HIS B 23 -3.800 -6.923 -22.561 1.00 0.00 N ATOM 0 H HIS B 23 -5.306 -5.780 -18.162 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.860 -4.386 -19.121 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.706 -4.299 -20.109 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.450 -3.181 -20.604 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -3.131 -3.834 -22.631 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -4.927 -7.134 -20.747 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -2.663 -5.872 -24.099 1.00 0.00 H new ATOM 858 N PHE B 24 -3.345 -2.246 -17.971 1.00 0.00 N ATOM 859 CA PHE B 24 -3.488 -1.095 -17.094 1.00 0.00 C ATOM 860 C PHE B 24 -3.214 0.206 -17.849 1.00 0.00 C ATOM 861 O PHE B 24 -2.090 0.453 -18.282 1.00 0.00 O ATOM 862 CB PHE B 24 -2.451 -1.252 -15.980 1.00 0.00 C ATOM 863 CG PHE B 24 -2.901 -0.692 -14.628 1.00 0.00 C ATOM 864 CD1 PHE B 24 -4.190 -0.847 -14.224 1.00 0.00 C ATOM 865 CD2 PHE B 24 -2.011 -0.039 -13.832 1.00 0.00 C ATOM 866 CE1 PHE B 24 -4.607 -0.328 -12.970 1.00 0.00 C ATOM 867 CE2 PHE B 24 -2.429 0.481 -12.578 1.00 0.00 C ATOM 868 CZ PHE B 24 -3.718 0.325 -12.174 1.00 0.00 C ATOM 0 H PHE B 24 -2.544 -2.205 -18.601 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.504 -1.049 -16.702 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.215 -2.310 -15.863 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.531 -0.752 -16.281 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.896 -1.364 -14.856 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.987 0.084 -14.154 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.630 -0.452 -12.648 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.724 1.000 -11.946 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.036 0.720 -11.220 1.00 0.00 H new ATOM 877 N VAL B 25 -4.263 1.005 -17.983 1.00 0.00 N ATOM 878 CA VAL B 25 -4.150 2.277 -18.679 1.00 0.00 C ATOM 879 C VAL B 25 -4.568 3.407 -17.737 1.00 0.00 C ATOM 880 O VAL B 25 -5.734 3.505 -17.358 1.00 0.00 O ATOM 881 CB VAL B 25 -4.970 2.241 -19.971 1.00 0.00 C ATOM 882 CG1 VAL B 25 -6.470 2.198 -19.667 1.00 0.00 C ATOM 883 CG2 VAL B 25 -4.627 3.428 -20.871 1.00 0.00 C ATOM 0 H VAL B 25 -5.194 0.797 -17.622 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.116 2.463 -18.971 1.00 0.00 H new ATOM 0 HB VAL B 25 -4.710 1.328 -20.508 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -7.030 2.173 -20.602 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -6.698 1.306 -19.084 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -6.752 3.085 -19.099 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -5.224 3.378 -21.782 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.844 4.358 -20.345 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -3.568 3.395 -21.128 1.00 0.00 H new ATOM 893 N LEU B 26 -3.592 4.233 -17.386 1.00 0.00 N ATOM 894 CA LEU B 26 -3.844 5.353 -16.495 1.00 0.00 C ATOM 895 C LEU B 26 -3.384 6.648 -17.169 1.00 0.00 C ATOM 896 O LEU B 26 -2.350 7.207 -16.807 1.00 0.00 O ATOM 897 CB LEU B 26 -3.199 5.106 -15.130 1.00 0.00 C ATOM 898 CG LEU B 26 -4.151 5.084 -13.932 1.00 0.00 C ATOM 899 CD1 LEU B 26 -3.432 4.607 -12.670 1.00 0.00 C ATOM 900 CD2 LEU B 26 -4.816 6.446 -13.735 1.00 0.00 C ATOM 0 H LEU B 26 -2.626 4.149 -17.703 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.912 5.456 -16.303 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.671 4.153 -15.167 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.450 5.879 -14.959 1.00 0.00 H new ATOM 0 HG LEU B 26 -4.945 4.367 -14.139 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.131 4.601 -11.834 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -3.047 3.600 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.604 5.280 -12.446 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -5.487 6.403 -12.877 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -4.051 7.202 -13.559 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -5.385 6.706 -14.628 1.00 0.00 H new ATOM 925 N GLY B 28 -1.557 8.532 -19.483 1.00 0.00 N ATOM 926 CA GLY B 28 -0.380 8.380 -20.324 1.00 0.00 C ATOM 927 C GLY B 28 0.532 7.272 -19.794 1.00 0.00 C ATOM 928 O GLY B 28 1.481 6.870 -20.466 1.00 0.00 O ATOM 0 HA2 GLY B 28 -0.685 8.148 -21.344 1.00 0.00 H new ATOM 0 HA3 GLY B 28 0.169 9.321 -20.361 1.00 0.00 H new ATOM 932 N TYR B 29 0.214 6.809 -18.595 1.00 0.00 N ATOM 933 CA TYR B 29 0.993 5.756 -17.968 1.00 0.00 C ATOM 934 C TYR B 29 0.227 4.431 -17.973 1.00 0.00 C ATOM 935 O TYR B 29 -0.646 4.212 -17.133 1.00 0.00 O ATOM 936 CB TYR B 29 1.214 6.198 -16.520 1.00 0.00 C ATOM 937 CG TYR B 29 2.349 7.211 -16.345 1.00 0.00 C ATOM 938 CD1 TYR B 29 2.443 8.294 -17.195 1.00 0.00 C ATOM 939 CD2 TYR B 29 3.276 7.040 -15.339 1.00 0.00 C ATOM 940 CE1 TYR B 29 3.511 9.246 -17.031 1.00 0.00 C ATOM 941 CE2 TYR B 29 4.343 7.992 -15.174 1.00 0.00 C ATOM 942 CZ TYR B 29 4.408 9.048 -16.028 1.00 0.00 C ATOM 943 OH TYR B 29 5.417 9.947 -15.873 1.00 0.00 O ATOM 0 H TYR B 29 -0.574 7.144 -18.040 1.00 0.00 H new ATOM 0 HA TYR B 29 1.929 5.600 -18.504 1.00 0.00 H new ATOM 0 HB2 TYR B 29 0.290 6.633 -16.139 1.00 0.00 H new ATOM 0 HB3 TYR B 29 1.428 5.319 -15.911 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.716 8.428 -17.983 1.00 0.00 H new ATOM 0 HD2 TYR B 29 3.202 6.192 -14.675 1.00 0.00 H new ATOM 0 HE1 TYR B 29 3.598 10.098 -17.689 1.00 0.00 H new ATOM 0 HE2 TYR B 29 5.075 7.870 -14.390 1.00 0.00 H new ATOM 0 HH TYR B 29 5.980 9.679 -15.117 1.00 0.00 H new ATOM 952 N LYS B 30 0.580 3.582 -18.926 1.00 0.00 N ATOM 953 CA LYS B 30 -0.063 2.285 -19.051 1.00 0.00 C ATOM 954 C LYS B 30 0.964 1.183 -18.779 1.00 0.00 C ATOM 955 O LYS B 30 2.059 1.200 -19.339 1.00 0.00 O ATOM 956 CB LYS B 30 -0.756 2.159 -20.408 1.00 0.00 C ATOM 957 CG LYS B 30 0.268 1.979 -21.531 1.00 0.00 C ATOM 958 CD LYS B 30 -0.157 2.742 -22.788 1.00 0.00 C ATOM 959 CE LYS B 30 -0.506 1.777 -23.923 1.00 0.00 C ATOM 960 NZ LYS B 30 -0.763 2.523 -25.176 1.00 0.00 N ATOM 0 H LYS B 30 1.304 3.767 -19.620 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.851 2.177 -18.306 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -1.439 1.310 -20.394 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.357 3.048 -20.598 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.244 2.333 -21.199 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.376 0.920 -21.763 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.018 3.371 -22.562 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.648 3.406 -23.105 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.312 1.072 -24.073 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.386 1.192 -23.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -0.998 1.854 -25.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.558 3.178 -25.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.087 3.062 -25.440 1.00 0.00 H new ATOM 969 N CYS B 31 0.573 0.253 -17.920 1.00 0.00 N ATOM 970 CA CYS B 31 1.445 -0.854 -17.568 1.00 0.00 C ATOM 971 C CYS B 31 0.862 -2.135 -18.166 1.00 0.00 C ATOM 972 O CYS B 31 -0.336 -2.390 -18.048 1.00 0.00 O ATOM 973 CB CYS B 31 1.634 -0.965 -16.054 1.00 0.00 C ATOM 974 SG CYS B 31 2.796 0.250 -15.332 1.00 0.00 S ATOM 0 H CYS B 31 -0.336 0.244 -17.458 1.00 0.00 H new ATOM 0 HA CYS B 31 2.439 -0.682 -17.981 1.00 0.00 H new ATOM 0 HB2 CYS B 31 0.663 -0.849 -15.572 1.00 0.00 H new ATOM 0 HB3 CYS B 31 1.988 -1.969 -15.819 1.00 0.00 H new ATOM 978 N GLU B 32 1.735 -2.906 -18.797 1.00 0.00 N ATOM 979 CA GLU B 32 1.321 -4.155 -19.415 1.00 0.00 C ATOM 980 C GLU B 32 1.901 -5.344 -18.647 1.00 0.00 C ATOM 981 O GLU B 32 3.113 -5.555 -18.644 1.00 0.00 O ATOM 982 CB GLU B 32 1.732 -4.200 -20.888 1.00 0.00 C ATOM 983 CG GLU B 32 0.504 -4.267 -21.799 1.00 0.00 C ATOM 984 CD GLU B 32 -0.119 -2.880 -21.982 1.00 0.00 C ATOM 985 OE1 GLU B 32 0.580 -1.935 -22.377 1.00 0.00 O ATOM 986 OE2 GLU B 32 -1.373 -2.805 -21.698 1.00 0.00 O ATOM 0 H GLU B 32 2.727 -2.690 -18.894 1.00 0.00 H new ATOM 0 HA GLU B 32 0.234 -4.216 -19.373 1.00 0.00 H new ATOM 0 HB2 GLU B 32 2.322 -3.316 -21.132 1.00 0.00 H new ATOM 0 HB3 GLU B 32 2.368 -5.067 -21.065 1.00 0.00 H new ATOM 0 HG2 GLU B 32 0.788 -4.673 -22.770 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.233 -4.947 -21.373 1.00 0.00 H new ATOM 992 N ILE B 33 1.008 -6.092 -18.015 1.00 0.00 N ATOM 993 CA ILE B 33 1.415 -7.254 -17.245 1.00 0.00 C ATOM 994 C ILE B 33 0.492 -8.429 -17.576 1.00 0.00 C ATOM 995 O ILE B 33 -0.729 -8.278 -17.593 1.00 0.00 O ATOM 996 CB ILE B 33 1.470 -6.916 -15.753 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.062 -6.776 -15.170 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.321 -5.670 -15.503 1.00 0.00 C ATOM 999 CD1 ILE B 33 0.092 -6.848 -13.642 1.00 0.00 C ATOM 0 H ILE B 33 0.003 -5.915 -18.021 1.00 0.00 H new ATOM 0 HA ILE B 33 2.426 -7.556 -17.517 1.00 0.00 H new ATOM 0 HB ILE B 33 1.953 -7.744 -15.233 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.373 -5.827 -15.485 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.578 -7.566 -15.562 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.343 -5.453 -14.435 1.00 0.00 H new ATOM 0 HG22 ILE B 33 3.336 -5.846 -15.859 1.00 0.00 H new ATOM 0 HG23 ILE B 33 1.891 -4.823 -16.037 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.921 -6.746 -13.253 1.00 0.00 H new ATOM 0 HD12 ILE B 33 0.505 -7.808 -13.331 1.00 0.00 H new ATOM 0 HD13 ILE B 33 0.713 -6.042 -13.252 1.00 0.00 H new ATOM 1010 N LEU B 34 1.111 -9.573 -17.831 1.00 0.00 N ATOM 1011 CA LEU B 34 0.361 -10.772 -18.161 1.00 0.00 C ATOM 1012 C LEU B 34 0.642 -11.849 -17.112 1.00 0.00 C ATOM 1013 O LEU B 34 1.664 -11.804 -16.428 1.00 0.00 O ATOM 1014 CB LEU B 34 0.662 -11.216 -19.593 1.00 0.00 C ATOM 1015 CG LEU B 34 2.141 -11.360 -19.953 1.00 0.00 C ATOM 1016 CD1 LEU B 34 2.758 -10.002 -20.295 1.00 0.00 C ATOM 1017 CD2 LEU B 34 2.910 -12.074 -18.839 1.00 0.00 C ATOM 0 H LEU B 34 2.124 -9.694 -17.816 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.710 -10.570 -18.133 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.171 -12.174 -19.766 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.210 -10.498 -20.277 1.00 0.00 H new ATOM 0 HG LEU B 34 2.215 -11.981 -20.846 1.00 0.00 H new ATOM 0 HD11 LEU B 34 3.810 -10.134 -20.547 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.233 -9.567 -21.145 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.671 -9.336 -19.436 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.959 -12.163 -19.121 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.830 -11.500 -17.916 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.490 -13.068 -18.686 1.00 0.00 H new ATOM 1028 N ALA B 35 -0.283 -12.793 -17.016 1.00 0.00 N ATOM 1029 CA ALA B 35 -0.148 -13.881 -16.061 1.00 0.00 C ATOM 1030 C ALA B 35 -0.319 -15.216 -16.788 1.00 0.00 C ATOM 1031 O ALA B 35 -1.278 -15.399 -17.538 1.00 0.00 O ATOM 1032 CB ALA B 35 -1.162 -13.697 -14.931 1.00 0.00 C ATOM 0 H ALA B 35 -1.130 -12.827 -17.584 1.00 0.00 H new ATOM 0 HA ALA B 35 0.845 -13.876 -15.611 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -1.061 -14.513 -14.215 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -0.978 -12.748 -14.428 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -2.171 -13.699 -15.344 1.00 0.00 H new