USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.93) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.445 K(o=-0.45,f=-3!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc=-0.00296 X(o=-0.003,f=0) USER MOD Single : B 17 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.97) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 39.079 10.173 2.534 1.00 0.00 N ATOM 38 CA TYR A 4 37.970 9.195 2.731 1.00 0.00 C ATOM 39 C TYR A 4 37.217 8.978 1.415 1.00 0.00 C ATOM 40 O TYR A 4 37.458 9.650 0.432 1.00 0.00 O ATOM 41 CB TYR A 4 37.055 9.838 3.776 1.00 0.00 C ATOM 42 CG TYR A 4 36.282 10.973 3.146 1.00 0.00 C ATOM 43 CD1 TYR A 4 35.150 10.702 2.368 1.00 0.00 C ATOM 44 CD2 TYR A 4 36.698 12.296 3.339 1.00 0.00 C ATOM 45 CE1 TYR A 4 34.433 11.753 1.785 1.00 0.00 C ATOM 46 CE2 TYR A 4 35.981 13.347 2.755 1.00 0.00 C ATOM 47 CZ TYR A 4 34.849 13.076 1.978 1.00 0.00 C ATOM 48 OH TYR A 4 34.142 14.112 1.402 1.00 0.00 O ATOM 0 HA TYR A 4 38.332 8.219 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.366 9.095 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.647 10.209 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 4 34.830 9.682 2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 4 37.572 12.506 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.559 11.544 1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.302 14.367 2.904 1.00 0.00 H new ATOM 0 HH TYR A 4 34.563 14.965 1.636 1.00 0.00 H new ATOM 58 N PHE A 5 36.306 8.044 1.390 1.00 0.00 N ATOM 59 CA PHE A 5 35.537 7.785 0.139 1.00 0.00 C ATOM 60 C PHE A 5 34.040 7.978 0.392 1.00 0.00 C ATOM 61 O PHE A 5 33.604 8.111 1.518 1.00 0.00 O ATOM 62 CB PHE A 5 35.841 6.329 -0.217 1.00 0.00 C ATOM 63 CG PHE A 5 37.335 6.112 -0.211 1.00 0.00 C ATOM 64 CD1 PHE A 5 38.009 5.917 1.001 1.00 0.00 C ATOM 65 CD2 PHE A 5 38.047 6.107 -1.416 1.00 0.00 C ATOM 66 CE1 PHE A 5 39.394 5.717 1.007 1.00 0.00 C ATOM 67 CE2 PHE A 5 39.433 5.906 -1.410 1.00 0.00 C ATOM 68 CZ PHE A 5 40.106 5.712 -0.198 1.00 0.00 C ATOM 0 H PHE A 5 36.061 7.449 2.181 1.00 0.00 H new ATOM 0 HA PHE A 5 35.812 8.466 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 5 35.363 5.661 0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 5 35.432 6.090 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 5 37.460 5.921 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 5 37.527 6.258 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 5 39.914 5.566 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 5 39.982 5.901 -2.340 1.00 0.00 H new ATOM 0 HZ PHE A 5 41.175 5.558 -0.193 1.00 0.00 H new ATOM 78 N THR A 6 33.248 7.995 -0.646 1.00 0.00 N ATOM 79 CA THR A 6 31.780 8.180 -0.457 1.00 0.00 C ATOM 80 C THR A 6 31.002 7.338 -1.471 1.00 0.00 C ATOM 81 O THR A 6 31.354 7.261 -2.631 1.00 0.00 O ATOM 82 CB THR A 6 31.530 9.671 -0.698 1.00 0.00 C ATOM 83 OG1 THR A 6 30.141 9.890 -0.897 1.00 0.00 O ATOM 84 CG2 THR A 6 32.304 10.130 -1.935 1.00 0.00 C ATOM 0 H THR A 6 33.552 7.889 -1.614 1.00 0.00 H new ATOM 0 HA THR A 6 31.453 7.866 0.534 1.00 0.00 H new ATOM 0 HB THR A 6 31.868 10.240 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 6 29.979 10.844 -1.050 1.00 0.00 H new ATOM 0 HG21 THR A 6 32.124 11.192 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 6 33.370 9.963 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 6 31.971 9.563 -2.804 1.00 0.00 H new ATOM 92 N LEU A 7 29.943 6.708 -1.041 1.00 0.00 N ATOM 93 CA LEU A 7 29.138 5.874 -1.978 1.00 0.00 C ATOM 94 C LEU A 7 27.712 6.424 -2.071 1.00 0.00 C ATOM 95 O LEU A 7 27.232 7.082 -1.170 1.00 0.00 O ATOM 96 CB LEU A 7 29.135 4.473 -1.363 1.00 0.00 C ATOM 97 CG LEU A 7 29.369 3.432 -2.459 1.00 0.00 C ATOM 98 CD1 LEU A 7 30.862 3.114 -2.551 1.00 0.00 C ATOM 99 CD2 LEU A 7 28.597 2.154 -2.122 1.00 0.00 C ATOM 0 H LEU A 7 29.600 6.735 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 7 29.547 5.871 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 7 29.912 4.397 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 7 28.183 4.285 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 7 29.022 3.827 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 7 31.029 2.372 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 7 31.414 4.023 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 7 31.210 2.720 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 7 28.763 1.412 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.945 1.760 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.532 2.379 -2.056 1.00 0.00 H new ATOM 111 N GLN A 8 27.034 6.164 -3.154 1.00 0.00 N ATOM 112 CA GLN A 8 25.642 6.679 -3.300 1.00 0.00 C ATOM 113 C GLN A 8 24.730 5.589 -3.869 1.00 0.00 C ATOM 114 O GLN A 8 25.048 4.951 -4.853 1.00 0.00 O ATOM 115 CB GLN A 8 25.756 7.852 -4.274 1.00 0.00 C ATOM 116 CG GLN A 8 26.628 8.947 -3.654 1.00 0.00 C ATOM 117 CD GLN A 8 26.035 10.319 -3.979 1.00 0.00 C ATOM 118 OE1 GLN A 8 26.106 10.773 -5.104 1.00 0.00 O ATOM 119 NE2 GLN A 8 25.448 11.004 -3.035 1.00 0.00 N ATOM 0 H GLN A 8 27.382 5.619 -3.943 1.00 0.00 H new ATOM 0 HA GLN A 8 25.210 6.983 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 8 26.190 7.516 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 8 24.766 8.246 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 8 26.687 8.811 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 8 27.645 8.878 -4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 8 25.388 10.623 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.049 11.920 -3.242 1.00 0.00 H new ATOM 128 N ILE A 9 23.600 5.372 -3.255 1.00 0.00 N ATOM 129 CA ILE A 9 22.667 4.322 -3.758 1.00 0.00 C ATOM 130 C ILE A 9 21.323 4.949 -4.140 1.00 0.00 C ATOM 131 O ILE A 9 20.870 5.893 -3.523 1.00 0.00 O ATOM 132 CB ILE A 9 22.494 3.353 -2.588 1.00 0.00 C ATOM 133 CG1 ILE A 9 23.863 3.045 -1.975 1.00 0.00 C ATOM 134 CG2 ILE A 9 21.859 2.054 -3.089 1.00 0.00 C ATOM 135 CD1 ILE A 9 24.794 2.492 -3.055 1.00 0.00 C ATOM 0 H ILE A 9 23.281 5.875 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 9 23.048 3.822 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 9 21.850 3.806 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 9 24.290 3.949 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.757 2.322 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.736 1.364 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.885 2.271 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.503 1.601 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 9 25.768 2.273 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 9 24.368 1.578 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 9 24.910 3.230 -3.848 1.00 0.00 H new ATOM 147 N ARG A 10 20.684 4.434 -5.154 1.00 0.00 N ATOM 148 CA ARG A 10 19.371 5.003 -5.575 1.00 0.00 C ATOM 149 C ARG A 10 18.235 4.044 -5.209 1.00 0.00 C ATOM 150 O ARG A 10 17.076 4.407 -5.223 1.00 0.00 O ATOM 151 CB ARG A 10 19.473 5.155 -7.093 1.00 0.00 C ATOM 152 CG ARG A 10 20.686 6.020 -7.440 1.00 0.00 C ATOM 153 CD ARG A 10 20.239 7.469 -7.642 1.00 0.00 C ATOM 154 NE ARG A 10 19.345 7.432 -8.832 1.00 0.00 N ATOM 155 CZ ARG A 10 19.857 7.387 -10.032 1.00 0.00 C ATOM 156 NH1 ARG A 10 20.653 8.338 -10.437 1.00 0.00 N ATOM 157 NH2 ARG A 10 19.574 6.390 -10.825 1.00 0.00 N ATOM 0 H ARG A 10 21.013 3.644 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 10 19.157 5.952 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.566 4.175 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.564 5.611 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 10 21.426 5.965 -6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.165 5.647 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.713 7.846 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.092 8.126 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 10 18.332 7.442 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.875 9.116 -9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.053 8.303 -11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.953 5.646 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.974 6.355 -11.763 1.00 0.00 H new ATOM 171 N GLY A 11 18.557 2.823 -4.881 1.00 0.00 N ATOM 172 CA GLY A 11 17.495 1.845 -4.515 1.00 0.00 C ATOM 173 C GLY A 11 17.730 1.349 -3.090 1.00 0.00 C ATOM 174 O GLY A 11 18.848 1.295 -2.618 1.00 0.00 O ATOM 0 H GLY A 11 19.510 2.461 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.513 2.312 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.504 1.005 -5.210 1.00 0.00 H new ATOM 178 N ARG A 12 16.686 0.990 -2.398 1.00 0.00 N ATOM 179 CA ARG A 12 16.853 0.500 -1.001 1.00 0.00 C ATOM 180 C ARG A 12 17.337 -0.953 -1.003 1.00 0.00 C ATOM 181 O ARG A 12 18.256 -1.312 -0.296 1.00 0.00 O ATOM 182 CB ARG A 12 15.461 0.603 -0.377 1.00 0.00 C ATOM 183 CG ARG A 12 15.590 0.765 1.138 1.00 0.00 C ATOM 184 CD ARG A 12 14.465 1.667 1.652 1.00 0.00 C ATOM 185 NE ARG A 12 14.577 1.614 3.135 1.00 0.00 N ATOM 186 CZ ARG A 12 13.674 2.192 3.879 1.00 0.00 C ATOM 187 NH1 ARG A 12 13.747 3.473 4.116 1.00 0.00 N ATOM 188 NH2 ARG A 12 12.698 1.489 4.385 1.00 0.00 N ATOM 0 H ARG A 12 15.725 1.014 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 12 17.592 1.078 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.924 1.452 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.880 -0.289 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.540 -0.209 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.559 1.197 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.577 2.687 1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.490 1.312 1.317 1.00 0.00 H new ATOM 0 HE ARG A 12 15.360 1.126 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.510 4.022 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.041 3.925 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.641 0.488 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.992 1.941 4.967 1.00 0.00 H new ATOM 202 N GLU A 13 16.722 -1.790 -1.793 1.00 0.00 N ATOM 203 CA GLU A 13 17.145 -3.219 -1.841 1.00 0.00 C ATOM 204 C GLU A 13 18.672 -3.323 -1.886 1.00 0.00 C ATOM 205 O GLU A 13 19.265 -4.164 -1.240 1.00 0.00 O ATOM 206 CB GLU A 13 16.531 -3.770 -3.129 1.00 0.00 C ATOM 207 CG GLU A 13 16.666 -5.293 -3.148 1.00 0.00 C ATOM 208 CD GLU A 13 15.621 -5.887 -4.094 1.00 0.00 C ATOM 209 OE1 GLU A 13 15.066 -5.135 -4.879 1.00 0.00 O ATOM 210 OE2 GLU A 13 15.393 -7.083 -4.019 1.00 0.00 O ATOM 0 H GLU A 13 15.945 -1.547 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 13 16.818 -3.774 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.480 -3.487 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.031 -3.339 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.668 -5.576 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.531 -5.693 -2.143 1.00 0.00 H new ATOM 217 N ARG A 14 19.314 -2.471 -2.638 1.00 0.00 N ATOM 218 CA ARG A 14 20.800 -2.518 -2.718 1.00 0.00 C ATOM 219 C ARG A 14 21.395 -1.765 -1.530 1.00 0.00 C ATOM 220 O ARG A 14 22.326 -2.218 -0.889 1.00 0.00 O ATOM 221 CB ARG A 14 21.150 -1.815 -4.030 1.00 0.00 C ATOM 222 CG ARG A 14 20.394 -2.478 -5.183 1.00 0.00 C ATOM 223 CD ARG A 14 19.637 -1.411 -5.978 1.00 0.00 C ATOM 224 NE ARG A 14 20.454 -1.193 -7.204 1.00 0.00 N ATOM 225 CZ ARG A 14 20.112 -0.270 -8.061 1.00 0.00 C ATOM 226 NH1 ARG A 14 20.026 0.975 -7.680 1.00 0.00 N ATOM 227 NH2 ARG A 14 19.856 -0.593 -9.299 1.00 0.00 N ATOM 0 H ARG A 14 18.872 -1.744 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 14 21.192 -3.535 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.888 -0.759 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.224 -1.868 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 14 21.092 -3.005 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.697 -3.221 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.630 -1.746 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.533 -0.490 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 14 21.281 -1.765 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 14 20.226 1.227 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.759 1.696 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 14 19.923 -1.566 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 14 19.589 0.128 -9.969 1.00 0.00 H new ATOM 241 N PHE A 15 20.860 -0.614 -1.231 1.00 0.00 N ATOM 242 CA PHE A 15 21.389 0.170 -0.087 1.00 0.00 C ATOM 243 C PHE A 15 21.323 -0.668 1.190 1.00 0.00 C ATOM 244 O PHE A 15 22.276 -0.754 1.939 1.00 0.00 O ATOM 245 CB PHE A 15 20.479 1.393 0.024 1.00 0.00 C ATOM 246 CG PHE A 15 20.956 2.265 1.161 1.00 0.00 C ATOM 247 CD1 PHE A 15 22.068 3.097 0.984 1.00 0.00 C ATOM 248 CD2 PHE A 15 20.292 2.236 2.393 1.00 0.00 C ATOM 249 CE1 PHE A 15 22.516 3.900 2.040 1.00 0.00 C ATOM 250 CE2 PHE A 15 20.739 3.040 3.448 1.00 0.00 C ATOM 251 CZ PHE A 15 21.852 3.872 3.271 1.00 0.00 C ATOM 0 H PHE A 15 20.081 -0.185 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 15 22.430 0.459 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 15 20.489 1.955 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.449 1.080 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.580 3.119 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.435 1.593 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.374 4.541 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.226 3.019 4.398 1.00 0.00 H new ATOM 0 HZ PHE A 15 22.198 4.492 4.085 1.00 0.00 H new ATOM 261 N GLU A 16 20.206 -1.296 1.439 1.00 0.00 N ATOM 262 CA GLU A 16 20.087 -2.136 2.663 1.00 0.00 C ATOM 263 C GLU A 16 21.342 -2.996 2.817 1.00 0.00 C ATOM 264 O GLU A 16 21.780 -3.286 3.912 1.00 0.00 O ATOM 265 CB GLU A 16 18.857 -3.013 2.425 1.00 0.00 C ATOM 266 CG GLU A 16 17.597 -2.252 2.844 1.00 0.00 C ATOM 267 CD GLU A 16 17.299 -2.530 4.319 1.00 0.00 C ATOM 268 OE1 GLU A 16 16.633 -3.515 4.592 1.00 0.00 O ATOM 269 OE2 GLU A 16 17.741 -1.753 5.149 1.00 0.00 O ATOM 0 H GLU A 16 19.374 -1.264 0.850 1.00 0.00 H new ATOM 0 HA GLU A 16 19.987 -1.543 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.794 -3.291 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.942 -3.939 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.736 -1.183 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.752 -2.559 2.227 1.00 0.00 H new ATOM 276 N GLN A 17 21.929 -3.398 1.721 1.00 0.00 N ATOM 277 CA GLN A 17 23.163 -4.231 1.800 1.00 0.00 C ATOM 278 C GLN A 17 24.350 -3.358 2.211 1.00 0.00 C ATOM 279 O GLN A 17 25.083 -3.681 3.125 1.00 0.00 O ATOM 280 CB GLN A 17 23.363 -4.780 0.387 1.00 0.00 C ATOM 281 CG GLN A 17 22.174 -5.666 0.010 1.00 0.00 C ATOM 282 CD GLN A 17 21.997 -6.761 1.064 1.00 0.00 C ATOM 283 OE1 GLN A 17 20.916 -7.289 1.233 1.00 0.00 O ATOM 284 NE2 GLN A 17 23.021 -7.126 1.786 1.00 0.00 N ATOM 0 H GLN A 17 21.608 -3.186 0.777 1.00 0.00 H new ATOM 0 HA GLN A 17 23.081 -5.031 2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.458 -3.959 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.288 -5.354 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.267 -5.065 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.337 -6.114 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 17 23.929 -6.683 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 17 22.914 -7.854 2.492 1.00 0.00 H new ATOM 293 N PHE A 18 24.542 -2.249 1.548 1.00 0.00 N ATOM 294 CA PHE A 18 25.679 -1.354 1.911 1.00 0.00 C ATOM 295 C PHE A 18 25.502 -0.849 3.345 1.00 0.00 C ATOM 296 O PHE A 18 26.378 -0.989 4.174 1.00 0.00 O ATOM 297 CB PHE A 18 25.606 -0.198 0.915 1.00 0.00 C ATOM 298 CG PHE A 18 25.827 -0.731 -0.480 1.00 0.00 C ATOM 299 CD1 PHE A 18 27.120 -1.053 -0.909 1.00 0.00 C ATOM 300 CD2 PHE A 18 24.738 -0.908 -1.341 1.00 0.00 C ATOM 301 CE1 PHE A 18 27.324 -1.551 -2.200 1.00 0.00 C ATOM 302 CE2 PHE A 18 24.943 -1.408 -2.632 1.00 0.00 C ATOM 303 CZ PHE A 18 26.235 -1.729 -3.062 1.00 0.00 C ATOM 0 H PHE A 18 23.963 -1.925 0.773 1.00 0.00 H new ATOM 0 HA PHE A 18 26.643 -1.861 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 18 24.635 0.293 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.360 0.552 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.960 -0.917 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 18 23.741 -0.659 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.322 -1.798 -2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 18 24.103 -1.546 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 18 26.392 -2.114 -4.059 1.00 0.00 H new ATOM 313 N ARG A 19 24.370 -0.274 3.646 1.00 0.00 N ATOM 314 CA ARG A 19 24.136 0.225 5.031 1.00 0.00 C ATOM 315 C ARG A 19 24.471 -0.876 6.039 1.00 0.00 C ATOM 316 O ARG A 19 25.411 -0.769 6.804 1.00 0.00 O ATOM 317 CB ARG A 19 22.647 0.566 5.079 1.00 0.00 C ATOM 318 CG ARG A 19 22.303 1.168 6.443 1.00 0.00 C ATOM 319 CD ARG A 19 22.411 2.693 6.372 1.00 0.00 C ATOM 320 NE ARG A 19 23.019 3.095 7.670 1.00 0.00 N ATOM 321 CZ ARG A 19 22.511 4.087 8.349 1.00 0.00 C ATOM 322 NH1 ARG A 19 21.513 3.877 9.163 1.00 0.00 N ATOM 323 NH2 ARG A 19 23.002 5.288 8.215 1.00 0.00 N ATOM 0 H ARG A 19 23.599 -0.128 2.995 1.00 0.00 H new ATOM 0 HA ARG A 19 24.756 1.087 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 22.399 1.271 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.052 -0.331 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.294 0.878 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 19 22.980 0.780 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 19 23.030 3.006 5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.432 3.152 6.235 1.00 0.00 H new ATOM 0 HE ARG A 19 23.833 2.595 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.130 2.938 9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.116 4.652 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.783 5.452 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.605 6.063 8.746 1.00 0.00 H new ATOM 337 N GLU A 20 23.716 -1.942 6.039 1.00 0.00 N ATOM 338 CA GLU A 20 23.999 -3.054 6.988 1.00 0.00 C ATOM 339 C GLU A 20 25.490 -3.387 6.956 1.00 0.00 C ATOM 340 O GLU A 20 26.105 -3.633 7.975 1.00 0.00 O ATOM 341 CB GLU A 20 23.172 -4.234 6.474 1.00 0.00 C ATOM 342 CG GLU A 20 23.404 -5.451 7.372 1.00 0.00 C ATOM 343 CD GLU A 20 22.238 -6.429 7.218 1.00 0.00 C ATOM 344 OE1 GLU A 20 22.071 -6.955 6.129 1.00 0.00 O ATOM 345 OE2 GLU A 20 21.532 -6.637 8.191 1.00 0.00 O ATOM 0 H GLU A 20 22.917 -2.089 5.423 1.00 0.00 H new ATOM 0 HA GLU A 20 23.745 -2.803 8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.114 -3.973 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 20 23.452 -4.468 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.341 -5.940 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.494 -5.137 8.412 1.00 0.00 H new ATOM 352 N ARG A 21 26.079 -3.386 5.791 1.00 0.00 N ATOM 353 CA ARG A 21 27.533 -3.690 5.692 1.00 0.00 C ATOM 354 C ARG A 21 28.339 -2.556 6.329 1.00 0.00 C ATOM 355 O ARG A 21 29.298 -2.785 7.039 1.00 0.00 O ATOM 356 CB ARG A 21 27.821 -3.780 4.192 1.00 0.00 C ATOM 357 CG ARG A 21 29.277 -4.195 3.976 1.00 0.00 C ATOM 358 CD ARG A 21 29.326 -5.627 3.439 1.00 0.00 C ATOM 359 NE ARG A 21 29.443 -6.488 4.649 1.00 0.00 N ATOM 360 CZ ARG A 21 29.129 -7.753 4.582 1.00 0.00 C ATOM 361 NH1 ARG A 21 30.026 -8.629 4.218 1.00 0.00 N ATOM 362 NH2 ARG A 21 27.919 -8.141 4.880 1.00 0.00 N ATOM 0 H ARG A 21 25.615 -3.188 4.904 1.00 0.00 H new ATOM 0 HA ARG A 21 27.805 -4.611 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.152 -4.503 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.632 -2.818 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 21 29.759 -3.515 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.828 -4.128 4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 21 28.428 -5.866 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 21 30.175 -5.769 2.770 1.00 0.00 H new ATOM 0 HE ARG A 21 29.768 -6.089 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 21 30.972 -8.325 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 21 29.781 -9.618 4.165 1.00 0.00 H new ATOM 0 HH21 ARG A 21 27.219 -7.456 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 21 27.673 -9.130 4.828 1.00 0.00 H new ATOM 376 N ASN A 22 27.949 -1.333 6.088 1.00 0.00 N ATOM 377 CA ASN A 22 28.685 -0.186 6.690 1.00 0.00 C ATOM 378 C ASN A 22 28.924 -0.456 8.175 1.00 0.00 C ATOM 379 O ASN A 22 30.022 -0.310 8.677 1.00 0.00 O ATOM 380 CB ASN A 22 27.764 1.021 6.503 1.00 0.00 C ATOM 381 CG ASN A 22 28.430 2.266 7.090 1.00 0.00 C ATOM 382 OD1 ASN A 22 28.227 2.592 8.243 1.00 0.00 O ATOM 383 ND2 ASN A 22 29.224 2.982 6.341 1.00 0.00 N ATOM 0 H ASN A 22 27.154 -1.080 5.501 1.00 0.00 H new ATOM 0 HA ASN A 22 29.659 -0.023 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.555 1.172 5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.807 0.842 6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 22 29.673 3.814 6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 22 29.395 2.709 5.373 1.00 0.00 H new ATOM 390 N GLU A 23 27.903 -0.859 8.879 1.00 0.00 N ATOM 391 CA GLU A 23 28.068 -1.152 10.330 1.00 0.00 C ATOM 392 C GLU A 23 28.943 -2.394 10.509 1.00 0.00 C ATOM 393 O GLU A 23 29.809 -2.444 11.363 1.00 0.00 O ATOM 394 CB GLU A 23 26.650 -1.413 10.840 1.00 0.00 C ATOM 395 CG GLU A 23 26.704 -1.849 12.306 1.00 0.00 C ATOM 396 CD GLU A 23 25.355 -1.571 12.972 1.00 0.00 C ATOM 397 OE1 GLU A 23 24.350 -1.641 12.284 1.00 0.00 O ATOM 398 OE2 GLU A 23 25.349 -1.293 14.160 1.00 0.00 O ATOM 0 H GLU A 23 26.961 -0.998 8.512 1.00 0.00 H new ATOM 0 HA GLU A 23 28.550 -0.339 10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 23 26.045 -0.512 10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 26.172 -2.186 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 23 26.942 -2.911 12.372 1.00 0.00 H new ATOM 0 HG3 GLU A 23 27.496 -1.312 12.827 1.00 0.00 H new ATOM 405 N ALA A 24 28.729 -3.396 9.700 1.00 0.00 N ATOM 406 CA ALA A 24 29.550 -4.633 9.812 1.00 0.00 C ATOM 407 C ALA A 24 30.991 -4.334 9.402 1.00 0.00 C ATOM 408 O ALA A 24 31.919 -4.540 10.159 1.00 0.00 O ATOM 409 CB ALA A 24 28.908 -5.626 8.843 1.00 0.00 C ATOM 0 H ALA A 24 28.021 -3.410 8.966 1.00 0.00 H new ATOM 0 HA ALA A 24 29.579 -5.025 10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 24 29.458 -6.566 8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 24 27.873 -5.803 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 24 28.934 -5.217 7.833 1.00 0.00 H new ATOM 415 N LEU A 25 31.184 -3.839 8.210 1.00 0.00 N ATOM 416 CA LEU A 25 32.565 -3.516 7.757 1.00 0.00 C ATOM 417 C LEU A 25 33.233 -2.583 8.769 1.00 0.00 C ATOM 418 O LEU A 25 34.415 -2.680 9.033 1.00 0.00 O ATOM 419 CB LEU A 25 32.388 -2.819 6.409 1.00 0.00 C ATOM 420 CG LEU A 25 33.196 -3.560 5.343 1.00 0.00 C ATOM 421 CD1 LEU A 25 34.668 -3.604 5.756 1.00 0.00 C ATOM 422 CD2 LEU A 25 32.664 -4.988 5.203 1.00 0.00 C ATOM 0 H LEU A 25 30.447 -3.645 7.532 1.00 0.00 H new ATOM 0 HA LEU A 25 33.197 -4.400 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 25 31.334 -2.799 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 25 32.719 -1.783 6.477 1.00 0.00 H new ATOM 0 HG LEU A 25 33.102 -3.040 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 25 35.244 -4.132 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 35.048 -2.587 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 34.763 -4.124 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 25 33.239 -5.518 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 25 32.759 -5.507 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 25 31.615 -4.958 4.909 1.00 0.00 H new ATOM 434 N GLU A 26 32.481 -1.686 9.348 1.00 0.00 N ATOM 435 CA GLU A 26 33.074 -0.761 10.353 1.00 0.00 C ATOM 436 C GLU A 26 33.744 -1.578 11.457 1.00 0.00 C ATOM 437 O GLU A 26 34.883 -1.348 11.813 1.00 0.00 O ATOM 438 CB GLU A 26 31.893 0.035 10.911 1.00 0.00 C ATOM 439 CG GLU A 26 32.398 1.043 11.945 1.00 0.00 C ATOM 440 CD GLU A 26 31.370 2.164 12.109 1.00 0.00 C ATOM 441 OE1 GLU A 26 30.438 2.206 11.322 1.00 0.00 O ATOM 442 OE2 GLU A 26 31.532 2.961 13.018 1.00 0.00 O ATOM 0 H GLU A 26 31.485 -1.555 9.169 1.00 0.00 H new ATOM 0 HA GLU A 26 33.831 -0.103 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 31.377 0.554 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 26 31.170 -0.640 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 26 32.566 0.546 12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 26 33.355 1.457 11.628 1.00 0.00 H new ATOM 449 N LEU A 27 33.046 -2.542 11.994 1.00 0.00 N ATOM 450 CA LEU A 27 33.646 -3.386 13.066 1.00 0.00 C ATOM 451 C LEU A 27 34.654 -4.363 12.454 1.00 0.00 C ATOM 452 O LEU A 27 35.572 -4.816 13.109 1.00 0.00 O ATOM 453 CB LEU A 27 32.468 -4.143 13.682 1.00 0.00 C ATOM 454 CG LEU A 27 32.768 -4.447 15.150 1.00 0.00 C ATOM 455 CD1 LEU A 27 31.473 -4.373 15.962 1.00 0.00 C ATOM 456 CD2 LEU A 27 33.362 -5.852 15.268 1.00 0.00 C ATOM 0 H LEU A 27 32.088 -2.781 11.737 1.00 0.00 H new ATOM 0 HA LEU A 27 34.181 -2.797 13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 31.558 -3.548 13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.292 -5.070 13.136 1.00 0.00 H new ATOM 0 HG LEU A 27 33.480 -3.716 15.534 1.00 0.00 H new ATOM 0 HD11 LEU A 27 31.687 -4.590 17.009 1.00 0.00 H new ATOM 0 HD12 LEU A 27 31.048 -3.373 15.878 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.761 -5.104 15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 33.576 -6.070 16.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 32.649 -6.582 14.884 1.00 0.00 H new ATOM 0 HD23 LEU A 27 34.284 -5.907 14.690 1.00 0.00 H new ATOM 468 N LYS A 28 34.490 -4.688 11.200 1.00 0.00 N ATOM 469 CA LYS A 28 35.437 -5.633 10.539 1.00 0.00 C ATOM 470 C LYS A 28 36.863 -5.078 10.604 1.00 0.00 C ATOM 471 O LYS A 28 37.795 -5.776 10.951 1.00 0.00 O ATOM 472 CB LYS A 28 34.951 -5.724 9.089 1.00 0.00 C ATOM 473 CG LYS A 28 36.079 -6.240 8.191 1.00 0.00 C ATOM 474 CD LYS A 28 36.597 -7.574 8.732 1.00 0.00 C ATOM 475 CE LYS A 28 36.616 -8.609 7.605 1.00 0.00 C ATOM 476 NZ LYS A 28 36.727 -9.925 8.294 1.00 0.00 N ATOM 0 H LYS A 28 33.740 -4.339 10.603 1.00 0.00 H new ATOM 0 HA LYS A 28 35.459 -6.611 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.091 -6.391 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.621 -4.744 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 28 35.716 -6.366 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 28 36.889 -5.512 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 28 37.599 -7.448 9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 28 35.961 -7.920 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.709 -8.554 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.457 -8.444 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.746 -10.687 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 37.603 -9.951 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.910 -10.057 8.923 1.00 0.00 H new ATOM 490 N ASP A 29 37.040 -3.828 10.275 1.00 0.00 N ATOM 491 CA ASP A 29 38.406 -3.232 10.321 1.00 0.00 C ATOM 492 C ASP A 29 38.777 -2.878 11.763 1.00 0.00 C ATOM 493 O ASP A 29 39.919 -2.978 12.164 1.00 0.00 O ATOM 494 CB ASP A 29 38.318 -1.969 9.463 1.00 0.00 C ATOM 495 CG ASP A 29 39.197 -2.134 8.221 1.00 0.00 C ATOM 496 OD1 ASP A 29 38.966 -3.072 7.476 1.00 0.00 O ATOM 497 OD2 ASP A 29 40.087 -1.320 8.038 1.00 0.00 O ATOM 0 H ASP A 29 36.299 -3.194 9.977 1.00 0.00 H new ATOM 0 HA ASP A 29 39.170 -3.918 9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 29 37.284 -1.788 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 29 38.642 -1.102 10.039 1.00 0.00 H new ATOM 502 N ALA A 30 37.817 -2.466 12.547 1.00 0.00 N ATOM 503 CA ALA A 30 38.113 -2.107 13.963 1.00 0.00 C ATOM 504 C ALA A 30 38.511 -3.358 14.753 1.00 0.00 C ATOM 505 O ALA A 30 39.007 -3.273 15.859 1.00 0.00 O ATOM 506 CB ALA A 30 36.807 -1.525 14.505 1.00 0.00 C ATOM 0 H ALA A 30 36.841 -2.363 12.268 1.00 0.00 H new ATOM 0 HA ALA A 30 38.940 -1.401 14.046 1.00 0.00 H new ATOM 0 HB1 ALA A 30 36.943 -1.235 15.547 1.00 0.00 H new ATOM 0 HB2 ALA A 30 36.527 -0.650 13.918 1.00 0.00 H new ATOM 0 HB3 ALA A 30 36.019 -2.275 14.437 1.00 0.00 H new ATOM 512 N GLN A 31 38.298 -4.518 14.194 1.00 0.00 N ATOM 513 CA GLN A 31 38.665 -5.771 14.914 1.00 0.00 C ATOM 514 C GLN A 31 39.976 -6.335 14.361 1.00 0.00 C ATOM 515 O GLN A 31 40.791 -6.865 15.090 1.00 0.00 O ATOM 516 CB GLN A 31 37.510 -6.737 14.645 1.00 0.00 C ATOM 517 CG GLN A 31 36.783 -7.043 15.955 1.00 0.00 C ATOM 518 CD GLN A 31 37.201 -8.425 16.460 1.00 0.00 C ATOM 519 OE1 GLN A 31 37.653 -9.253 15.695 1.00 0.00 O ATOM 520 NE2 GLN A 31 37.067 -8.711 17.727 1.00 0.00 N ATOM 0 H GLN A 31 37.886 -4.652 13.271 1.00 0.00 H new ATOM 0 HA GLN A 31 38.816 -5.604 15.980 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.817 -6.300 13.926 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.889 -7.659 14.203 1.00 0.00 H new ATOM 0 HG2 GLN A 31 37.021 -6.284 16.701 1.00 0.00 H new ATOM 0 HG3 GLN A 31 35.704 -7.011 15.801 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.687 -8.016 18.369 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.342 -9.630 18.074 1.00 0.00 H new ATOM 606 N TYR B 4 16.955 8.754 -2.676 1.00 0.00 N ATOM 607 CA TYR B 4 18.154 7.871 -2.754 1.00 0.00 C ATOM 608 C TYR B 4 18.931 7.917 -1.435 1.00 0.00 C ATOM 609 O TYR B 4 18.633 8.699 -0.555 1.00 0.00 O ATOM 610 CB TYR B 4 18.995 8.444 -3.897 1.00 0.00 C ATOM 611 CG TYR B 4 19.656 9.725 -3.446 1.00 0.00 C ATOM 612 CD1 TYR B 4 20.813 9.676 -2.660 1.00 0.00 C ATOM 613 CD2 TYR B 4 19.111 10.962 -3.812 1.00 0.00 C ATOM 614 CE1 TYR B 4 21.426 10.862 -2.240 1.00 0.00 C ATOM 615 CE2 TYR B 4 19.723 12.149 -3.392 1.00 0.00 C ATOM 616 CZ TYR B 4 20.881 12.099 -2.606 1.00 0.00 C ATOM 617 OH TYR B 4 21.485 13.269 -2.193 1.00 0.00 O ATOM 0 HA TYR B 4 17.889 6.828 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR B 4 19.751 7.721 -4.204 1.00 0.00 H new ATOM 0 HB3 TYR B 4 18.365 8.634 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR B 4 21.233 8.722 -2.377 1.00 0.00 H new ATOM 0 HD2 TYR B 4 18.218 11.000 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR B 4 22.319 10.823 -1.634 1.00 0.00 H new ATOM 0 HE2 TYR B 4 19.302 13.103 -3.674 1.00 0.00 H new ATOM 0 HH TYR B 4 20.980 14.036 -2.535 1.00 0.00 H new ATOM 627 N PHE B 5 19.927 7.087 -1.295 1.00 0.00 N ATOM 628 CA PHE B 5 20.724 7.086 -0.034 1.00 0.00 C ATOM 629 C PHE B 5 22.194 7.385 -0.341 1.00 0.00 C ATOM 630 O PHE B 5 22.608 7.400 -1.484 1.00 0.00 O ATOM 631 CB PHE B 5 20.568 5.675 0.532 1.00 0.00 C ATOM 632 CG PHE B 5 19.103 5.315 0.584 1.00 0.00 C ATOM 633 CD1 PHE B 5 18.446 4.884 -0.575 1.00 0.00 C ATOM 634 CD2 PHE B 5 18.401 5.413 1.791 1.00 0.00 C ATOM 635 CE1 PHE B 5 17.087 4.551 -0.527 1.00 0.00 C ATOM 636 CE2 PHE B 5 17.042 5.080 1.839 1.00 0.00 C ATOM 637 CZ PHE B 5 16.385 4.649 0.681 1.00 0.00 C ATOM 0 H PHE B 5 20.224 6.410 -1.998 1.00 0.00 H new ATOM 0 HA PHE B 5 20.386 7.845 0.671 1.00 0.00 H new ATOM 0 HB2 PHE B 5 21.108 4.960 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE B 5 21.003 5.622 1.530 1.00 0.00 H new ATOM 0 HD1 PHE B 5 18.988 4.808 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE B 5 18.908 5.745 2.685 1.00 0.00 H new ATOM 0 HE1 PHE B 5 16.580 4.219 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE B 5 16.500 5.156 2.770 1.00 0.00 H new ATOM 0 HZ PHE B 5 15.337 4.392 0.719 1.00 0.00 H new ATOM 647 N THR B 6 22.985 7.626 0.668 1.00 0.00 N ATOM 648 CA THR B 6 24.426 7.926 0.427 1.00 0.00 C ATOM 649 C THR B 6 25.290 7.319 1.536 1.00 0.00 C ATOM 650 O THR B 6 24.960 7.390 2.703 1.00 0.00 O ATOM 651 CB THR B 6 24.523 9.453 0.448 1.00 0.00 C ATOM 652 OG1 THR B 6 25.884 9.838 0.579 1.00 0.00 O ATOM 653 CG2 THR B 6 23.719 10.003 1.627 1.00 0.00 C ATOM 0 H THR B 6 22.698 7.628 1.647 1.00 0.00 H new ATOM 0 HA THR B 6 24.780 7.507 -0.515 1.00 0.00 H new ATOM 0 HB THR B 6 24.119 9.855 -0.481 1.00 0.00 H new ATOM 0 HG1 THR B 6 25.948 10.816 0.591 1.00 0.00 H new ATOM 0 HG21 THR B 6 23.790 11.091 1.640 1.00 0.00 H new ATOM 0 HG22 THR B 6 22.675 9.708 1.524 1.00 0.00 H new ATOM 0 HG23 THR B 6 24.119 9.602 2.559 1.00 0.00 H new ATOM 661 N LEU B 7 26.397 6.726 1.179 1.00 0.00 N ATOM 662 CA LEU B 7 27.285 6.119 2.211 1.00 0.00 C ATOM 663 C LEU B 7 28.648 6.816 2.202 1.00 0.00 C ATOM 664 O LEU B 7 29.056 7.387 1.210 1.00 0.00 O ATOM 665 CB LEU B 7 27.430 4.653 1.801 1.00 0.00 C ATOM 666 CG LEU B 7 27.304 3.761 3.038 1.00 0.00 C ATOM 667 CD1 LEU B 7 25.850 3.317 3.202 1.00 0.00 C ATOM 668 CD2 LEU B 7 28.197 2.530 2.870 1.00 0.00 C ATOM 0 H LEU B 7 26.725 6.636 0.217 1.00 0.00 H new ATOM 0 HA LEU B 7 26.879 6.219 3.218 1.00 0.00 H new ATOM 0 HB2 LEU B 7 26.664 4.391 1.071 1.00 0.00 H new ATOM 0 HB3 LEU B 7 28.395 4.493 1.321 1.00 0.00 H new ATOM 0 HG LEU B 7 27.614 4.319 3.921 1.00 0.00 H new ATOM 0 HD11 LEU B 7 25.761 2.682 4.083 1.00 0.00 H new ATOM 0 HD12 LEU B 7 25.213 4.194 3.321 1.00 0.00 H new ATOM 0 HD13 LEU B 7 25.538 2.759 2.319 1.00 0.00 H new ATOM 0 HD21 LEU B 7 28.108 1.893 3.750 1.00 0.00 H new ATOM 0 HD22 LEU B 7 27.886 1.973 1.986 1.00 0.00 H new ATOM 0 HD23 LEU B 7 29.234 2.846 2.753 1.00 0.00 H new ATOM 680 N GLN B 8 29.356 6.777 3.297 1.00 0.00 N ATOM 681 CA GLN B 8 30.691 7.441 3.344 1.00 0.00 C ATOM 682 C GLN B 8 31.710 6.536 4.042 1.00 0.00 C ATOM 683 O GLN B 8 31.462 6.014 5.110 1.00 0.00 O ATOM 684 CB GLN B 8 30.467 8.721 4.149 1.00 0.00 C ATOM 685 CG GLN B 8 29.493 9.632 3.398 1.00 0.00 C ATOM 686 CD GLN B 8 29.959 11.084 3.515 1.00 0.00 C ATOM 687 OE1 GLN B 8 29.858 11.684 4.567 1.00 0.00 O ATOM 688 NE2 GLN B 8 30.469 11.679 2.471 1.00 0.00 N ATOM 0 H GLN B 8 29.069 6.315 4.160 1.00 0.00 H new ATOM 0 HA GLN B 8 31.084 7.649 2.349 1.00 0.00 H new ATOM 0 HB2 GLN B 8 30.069 8.479 5.134 1.00 0.00 H new ATOM 0 HB3 GLN B 8 31.415 9.235 4.306 1.00 0.00 H new ATOM 0 HG2 GLN B 8 29.440 9.339 2.349 1.00 0.00 H new ATOM 0 HG3 GLN B 8 28.489 9.527 3.810 1.00 0.00 H new ATOM 0 HE21 GLN B 8 30.554 11.176 1.588 1.00 0.00 H new ATOM 0 HE22 GLN B 8 30.783 12.647 2.538 1.00 0.00 H new ATOM 697 N ILE B 9 32.855 6.347 3.445 1.00 0.00 N ATOM 698 CA ILE B 9 33.890 5.476 4.074 1.00 0.00 C ATOM 699 C ILE B 9 35.167 6.278 4.338 1.00 0.00 C ATOM 700 O ILE B 9 35.524 7.162 3.584 1.00 0.00 O ATOM 701 CB ILE B 9 34.153 4.371 3.051 1.00 0.00 C ATOM 702 CG1 ILE B 9 32.820 3.848 2.510 1.00 0.00 C ATOM 703 CG2 ILE B 9 34.915 3.225 3.720 1.00 0.00 C ATOM 704 CD1 ILE B 9 31.952 3.365 3.673 1.00 0.00 C ATOM 0 H ILE B 9 33.119 6.757 2.549 1.00 0.00 H new ATOM 0 HA ILE B 9 33.564 5.074 5.033 1.00 0.00 H new ATOM 0 HB ILE B 9 34.747 4.772 2.230 1.00 0.00 H new ATOM 0 HG12 ILE B 9 32.305 4.635 1.960 1.00 0.00 H new ATOM 0 HG13 ILE B 9 32.995 3.032 1.809 1.00 0.00 H new ATOM 0 HG21 ILE B 9 35.102 2.437 2.990 1.00 0.00 H new ATOM 0 HG22 ILE B 9 35.865 3.596 4.105 1.00 0.00 H new ATOM 0 HG23 ILE B 9 34.322 2.824 4.542 1.00 0.00 H new ATOM 0 HD11 ILE B 9 31.003 2.992 3.288 1.00 0.00 H new ATOM 0 HD12 ILE B 9 32.468 2.565 4.204 1.00 0.00 H new ATOM 0 HD13 ILE B 9 31.766 4.193 4.357 1.00 0.00 H new ATOM 716 N ARG B 10 35.859 5.977 5.403 1.00 0.00 N ATOM 717 CA ARG B 10 37.112 6.724 5.714 1.00 0.00 C ATOM 718 C ARG B 10 38.335 5.838 5.459 1.00 0.00 C ATOM 719 O ARG B 10 39.450 6.312 5.377 1.00 0.00 O ATOM 720 CB ARG B 10 37.006 7.076 7.199 1.00 0.00 C ATOM 721 CG ARG B 10 35.716 7.860 7.447 1.00 0.00 C ATOM 722 CD ARG B 10 36.019 9.360 7.433 1.00 0.00 C ATOM 723 NE ARG B 10 36.916 9.581 8.601 1.00 0.00 N ATOM 724 CZ ARG B 10 36.415 9.657 9.803 1.00 0.00 C ATOM 725 NH1 ARG B 10 35.531 10.574 10.086 1.00 0.00 N ATOM 726 NH2 ARG B 10 36.799 8.815 10.724 1.00 0.00 N ATOM 0 H ARG B 10 35.612 5.247 6.071 1.00 0.00 H new ATOM 0 HA ARG B 10 37.228 7.611 5.092 1.00 0.00 H new ATOM 0 HB2 ARG B 10 37.013 6.167 7.800 1.00 0.00 H new ATOM 0 HB3 ARG B 10 37.868 7.668 7.506 1.00 0.00 H new ATOM 0 HG2 ARG B 10 34.979 7.620 6.681 1.00 0.00 H new ATOM 0 HG3 ARG B 10 35.283 7.575 8.406 1.00 0.00 H new ATOM 0 HD2 ARG B 10 36.502 9.657 6.502 1.00 0.00 H new ATOM 0 HD3 ARG B 10 35.106 9.948 7.520 1.00 0.00 H new ATOM 0 HE ARG B 10 37.922 9.673 8.461 1.00 0.00 H new ATOM 0 HH11 ARG B 10 35.231 11.232 9.367 1.00 0.00 H new ATOM 0 HH12 ARG B 10 35.140 10.632 11.026 1.00 0.00 H new ATOM 0 HH21 ARG B 10 37.490 8.098 10.503 1.00 0.00 H new ATOM 0 HH22 ARG B 10 36.408 8.874 11.664 1.00 0.00 H new ATOM 740 N GLY B 11 38.135 4.555 5.333 1.00 0.00 N ATOM 741 CA GLY B 11 39.287 3.643 5.084 1.00 0.00 C ATOM 742 C GLY B 11 39.095 2.929 3.745 1.00 0.00 C ATOM 743 O GLY B 11 37.985 2.697 3.308 1.00 0.00 O ATOM 0 H GLY B 11 37.225 4.099 5.392 1.00 0.00 H new ATOM 0 HA2 GLY B 11 40.218 4.210 5.075 1.00 0.00 H new ATOM 0 HA3 GLY B 11 39.366 2.913 5.889 1.00 0.00 H new ATOM 747 N ARG B 12 40.168 2.579 3.090 1.00 0.00 N ATOM 748 CA ARG B 12 40.046 1.879 1.779 1.00 0.00 C ATOM 749 C ARG B 12 39.710 0.401 1.997 1.00 0.00 C ATOM 750 O ARG B 12 38.822 -0.142 1.371 1.00 0.00 O ATOM 751 CB ARG B 12 41.419 2.027 1.123 1.00 0.00 C ATOM 752 CG ARG B 12 41.269 1.955 -0.398 1.00 0.00 C ATOM 753 CD ARG B 12 42.295 2.881 -1.057 1.00 0.00 C ATOM 754 NE ARG B 12 42.178 2.607 -2.516 1.00 0.00 N ATOM 755 CZ ARG B 12 43.016 3.157 -3.351 1.00 0.00 C ATOM 756 NH1 ARG B 12 42.819 4.380 -3.764 1.00 0.00 N ATOM 757 NH2 ARG B 12 44.052 2.485 -3.774 1.00 0.00 N ATOM 0 H ARG B 12 41.123 2.747 3.405 1.00 0.00 H new ATOM 0 HA ARG B 12 39.251 2.296 1.160 1.00 0.00 H new ATOM 0 HB2 ARG B 12 41.870 2.977 1.410 1.00 0.00 H new ATOM 0 HB3 ARG B 12 42.087 1.239 1.471 1.00 0.00 H new ATOM 0 HG2 ARG B 12 41.415 0.931 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG B 12 40.260 2.247 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG B 12 42.084 3.927 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG B 12 43.303 2.675 -0.696 1.00 0.00 H new ATOM 0 HE ARG B 12 41.443 1.990 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG B 12 42.010 4.906 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG B 12 43.474 4.810 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG B 12 44.206 1.530 -3.452 1.00 0.00 H new ATOM 0 HH22 ARG B 12 44.707 2.915 -4.427 1.00 0.00 H new ATOM 771 N GLU B 13 40.413 -0.253 2.881 1.00 0.00 N ATOM 772 CA GLU B 13 40.131 -1.695 3.138 1.00 0.00 C ATOM 773 C GLU B 13 38.620 -1.929 3.213 1.00 0.00 C ATOM 774 O GLU B 13 38.102 -2.885 2.671 1.00 0.00 O ATOM 775 CB GLU B 13 40.790 -1.994 4.485 1.00 0.00 C ATOM 776 CG GLU B 13 40.805 -3.506 4.721 1.00 0.00 C ATOM 777 CD GLU B 13 41.908 -3.855 5.722 1.00 0.00 C ATOM 778 OE1 GLU B 13 42.389 -2.950 6.383 1.00 0.00 O ATOM 779 OE2 GLU B 13 42.253 -5.022 5.810 1.00 0.00 O ATOM 0 H GLU B 13 41.169 0.148 3.436 1.00 0.00 H new ATOM 0 HA GLU B 13 40.514 -2.340 2.347 1.00 0.00 H new ATOM 0 HB2 GLU B 13 41.807 -1.603 4.499 1.00 0.00 H new ATOM 0 HB3 GLU B 13 40.246 -1.495 5.287 1.00 0.00 H new ATOM 0 HG2 GLU B 13 39.838 -3.835 5.100 1.00 0.00 H new ATOM 0 HG3 GLU B 13 40.974 -4.030 3.780 1.00 0.00 H new ATOM 786 N ARG B 14 37.909 -1.060 3.877 1.00 0.00 N ATOM 787 CA ARG B 14 36.432 -1.229 3.981 1.00 0.00 C ATOM 788 C ARG B 14 35.760 -0.715 2.707 1.00 0.00 C ATOM 789 O ARG B 14 34.893 -1.357 2.147 1.00 0.00 O ATOM 790 CB ARG B 14 36.017 -0.382 5.185 1.00 0.00 C ATOM 791 CG ARG B 14 36.832 -0.800 6.409 1.00 0.00 C ATOM 792 CD ARG B 14 37.485 0.436 7.032 1.00 0.00 C ATOM 793 NE ARG B 14 36.654 0.747 8.227 1.00 0.00 N ATOM 794 CZ ARG B 14 36.906 1.812 8.939 1.00 0.00 C ATOM 795 NH1 ARG B 14 36.865 2.993 8.384 1.00 0.00 N ATOM 796 NH2 ARG B 14 37.199 1.696 10.205 1.00 0.00 N ATOM 0 H ARG B 14 38.287 -0.240 4.352 1.00 0.00 H new ATOM 0 HA ARG B 14 36.140 -2.272 4.101 1.00 0.00 H new ATOM 0 HB2 ARG B 14 36.177 0.675 4.972 1.00 0.00 H new ATOM 0 HB3 ARG B 14 34.953 -0.509 5.383 1.00 0.00 H new ATOM 0 HG2 ARG B 14 36.188 -1.291 7.138 1.00 0.00 H new ATOM 0 HG3 ARG B 14 37.596 -1.522 6.121 1.00 0.00 H new ATOM 0 HD2 ARG B 14 38.520 0.238 7.311 1.00 0.00 H new ATOM 0 HD3 ARG B 14 37.498 1.271 6.332 1.00 0.00 H new ATOM 0 HE ARG B 14 35.887 0.128 8.490 1.00 0.00 H new ATOM 0 HH11 ARG B 14 36.636 3.084 7.394 1.00 0.00 H new ATOM 0 HH12 ARG B 14 37.062 3.825 8.940 1.00 0.00 H new ATOM 0 HH21 ARG B 14 37.231 0.773 10.639 1.00 0.00 H new ATOM 0 HH22 ARG B 14 37.396 2.528 10.761 1.00 0.00 H new ATOM 810 N PHE B 15 36.158 0.438 2.243 1.00 0.00 N ATOM 811 CA PHE B 15 35.545 0.990 1.002 1.00 0.00 C ATOM 812 C PHE B 15 35.691 -0.015 -0.141 1.00 0.00 C ATOM 813 O PHE B 15 34.748 -0.302 -0.852 1.00 0.00 O ATOM 814 CB PHE B 15 36.333 2.265 0.701 1.00 0.00 C ATOM 815 CG PHE B 15 35.773 2.917 -0.540 1.00 0.00 C ATOM 816 CD1 PHE B 15 34.588 3.659 -0.467 1.00 0.00 C ATOM 817 CD2 PHE B 15 36.438 2.779 -1.764 1.00 0.00 C ATOM 818 CE1 PHE B 15 34.067 4.262 -1.618 1.00 0.00 C ATOM 819 CE2 PHE B 15 35.917 3.382 -2.915 1.00 0.00 C ATOM 820 CZ PHE B 15 34.732 4.124 -2.842 1.00 0.00 C ATOM 0 H PHE B 15 36.879 1.020 2.668 1.00 0.00 H new ATOM 0 HA PHE B 15 34.480 1.192 1.118 1.00 0.00 H new ATOM 0 HB2 PHE B 15 36.272 2.952 1.545 1.00 0.00 H new ATOM 0 HB3 PHE B 15 37.387 2.029 0.557 1.00 0.00 H new ATOM 0 HD1 PHE B 15 34.076 3.766 0.478 1.00 0.00 H new ATOM 0 HD2 PHE B 15 37.353 2.208 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE B 15 33.152 4.833 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE B 15 36.429 3.275 -3.860 1.00 0.00 H new ATOM 0 HZ PHE B 15 34.331 4.590 -3.730 1.00 0.00 H new ATOM 830 N GLU B 16 36.864 -0.558 -0.320 1.00 0.00 N ATOM 831 CA GLU B 16 37.062 -1.550 -1.414 1.00 0.00 C ATOM 832 C GLU B 16 35.897 -2.541 -1.426 1.00 0.00 C ATOM 833 O GLU B 16 35.488 -3.024 -2.463 1.00 0.00 O ATOM 834 CB GLU B 16 38.373 -2.261 -1.075 1.00 0.00 C ATOM 835 CG GLU B 16 39.549 -1.450 -1.621 1.00 0.00 C ATOM 836 CD GLU B 16 39.868 -1.909 -3.045 1.00 0.00 C ATOM 837 OE1 GLU B 16 40.626 -2.855 -3.186 1.00 0.00 O ATOM 838 OE2 GLU B 16 39.349 -1.308 -3.971 1.00 0.00 O ATOM 0 H GLU B 16 37.691 -0.358 0.242 1.00 0.00 H new ATOM 0 HA GLU B 16 37.101 -1.085 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU B 16 38.468 -2.377 0.005 1.00 0.00 H new ATOM 0 HB3 GLU B 16 38.378 -3.263 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU B 16 39.305 -0.388 -1.616 1.00 0.00 H new ATOM 0 HG3 GLU B 16 40.422 -1.580 -0.982 1.00 0.00 H new ATOM 845 N GLN B 17 35.356 -2.841 -0.277 1.00 0.00 N ATOM 846 CA GLN B 17 34.211 -3.793 -0.217 1.00 0.00 C ATOM 847 C GLN B 17 32.942 -3.109 -0.728 1.00 0.00 C ATOM 848 O GLN B 17 32.251 -3.623 -1.585 1.00 0.00 O ATOM 849 CB GLN B 17 34.070 -4.151 1.263 1.00 0.00 C ATOM 850 CG GLN B 17 35.341 -4.853 1.743 1.00 0.00 C ATOM 851 CD GLN B 17 35.622 -6.066 0.854 1.00 0.00 C ATOM 852 OE1 GLN B 17 36.750 -6.506 0.746 1.00 0.00 O ATOM 853 NE2 GLN B 17 34.638 -6.628 0.207 1.00 0.00 N ATOM 0 H GLN B 17 35.658 -2.468 0.623 1.00 0.00 H new ATOM 0 HA GLN B 17 34.371 -4.678 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN B 17 33.896 -3.250 1.851 1.00 0.00 H new ATOM 0 HB3 GLN B 17 33.206 -4.799 1.410 1.00 0.00 H new ATOM 0 HG2 GLN B 17 36.184 -4.163 1.712 1.00 0.00 H new ATOM 0 HG3 GLN B 17 35.225 -5.168 2.780 1.00 0.00 H new ATOM 0 HE21 GLN B 17 33.691 -6.259 0.298 1.00 0.00 H new ATOM 0 HE22 GLN B 17 34.815 -7.436 -0.389 1.00 0.00 H new ATOM 862 N PHE B 18 32.633 -1.950 -0.213 1.00 0.00 N ATOM 863 CA PHE B 18 31.411 -1.234 -0.678 1.00 0.00 C ATOM 864 C PHE B 18 31.538 -0.911 -2.169 1.00 0.00 C ATOM 865 O PHE B 18 30.673 -1.235 -2.958 1.00 0.00 O ATOM 866 CB PHE B 18 31.356 0.049 0.153 1.00 0.00 C ATOM 867 CG PHE B 18 31.202 -0.305 1.613 1.00 0.00 C ATOM 868 CD1 PHE B 18 29.951 -0.691 2.108 1.00 0.00 C ATOM 869 CD2 PHE B 18 32.308 -0.248 2.470 1.00 0.00 C ATOM 870 CE1 PHE B 18 29.805 -1.020 3.461 1.00 0.00 C ATOM 871 CE2 PHE B 18 32.161 -0.577 3.824 1.00 0.00 C ATOM 872 CZ PHE B 18 30.909 -0.963 4.319 1.00 0.00 C ATOM 0 H PHE B 18 33.172 -1.469 0.507 1.00 0.00 H new ATOM 0 HA PHE B 18 30.506 -1.829 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE B 18 32.265 0.632 0.003 1.00 0.00 H new ATOM 0 HB3 PHE B 18 30.521 0.670 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.099 -0.735 1.446 1.00 0.00 H new ATOM 0 HD2 PHE B 18 33.273 0.049 2.088 1.00 0.00 H new ATOM 0 HE1 PHE B 18 28.840 -1.318 3.843 1.00 0.00 H new ATOM 0 HE2 PHE B 18 33.013 -0.533 4.486 1.00 0.00 H new ATOM 0 HZ PHE B 18 30.796 -1.217 5.363 1.00 0.00 H new ATOM 882 N ARG B 19 32.614 -0.286 -2.563 1.00 0.00 N ATOM 883 CA ARG B 19 32.794 0.042 -4.007 1.00 0.00 C ATOM 884 C ARG B 19 32.573 -1.217 -4.848 1.00 0.00 C ATOM 885 O ARG B 19 31.634 -1.307 -5.614 1.00 0.00 O ATOM 886 CB ARG B 19 34.239 0.526 -4.131 1.00 0.00 C ATOM 887 CG ARG B 19 34.513 0.950 -5.576 1.00 0.00 C ATOM 888 CD ARG B 19 34.261 2.451 -5.726 1.00 0.00 C ATOM 889 NE ARG B 19 33.611 2.601 -7.058 1.00 0.00 N ATOM 890 CZ ARG B 19 34.014 3.531 -7.879 1.00 0.00 C ATOM 891 NH1 ARG B 19 35.024 3.307 -8.675 1.00 0.00 N ATOM 892 NH2 ARG B 19 33.407 4.686 -7.905 1.00 0.00 N ATOM 0 H ARG B 19 33.374 0.011 -1.951 1.00 0.00 H new ATOM 0 HA ARG B 19 32.088 0.795 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG B 19 34.412 1.364 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG B 19 34.926 -0.268 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG B 19 35.543 0.715 -5.846 1.00 0.00 H new ATOM 0 HG3 ARG B 19 33.870 0.393 -6.257 1.00 0.00 H new ATOM 0 HD2 ARG B 19 33.619 2.825 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG B 19 35.193 3.015 -5.676 1.00 0.00 H new ATOM 0 HE ARG B 19 32.851 1.977 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG B 19 35.499 2.404 -8.655 1.00 0.00 H new ATOM 0 HH12 ARG B 19 35.339 4.035 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG B 19 32.618 4.861 -7.283 1.00 0.00 H new ATOM 0 HH22 ARG B 19 33.722 5.413 -8.547 1.00 0.00 H new ATOM 906 N GLU B 20 33.426 -2.195 -4.703 1.00 0.00 N ATOM 907 CA GLU B 20 33.253 -3.450 -5.487 1.00 0.00 C ATOM 908 C GLU B 20 31.801 -3.919 -5.386 1.00 0.00 C ATOM 909 O GLU B 20 31.213 -4.368 -6.350 1.00 0.00 O ATOM 910 CB GLU B 20 34.192 -4.462 -4.830 1.00 0.00 C ATOM 911 CG GLU B 20 34.073 -5.809 -5.546 1.00 0.00 C ATOM 912 CD GLU B 20 35.327 -6.643 -5.279 1.00 0.00 C ATOM 913 OE1 GLU B 20 35.548 -6.995 -4.132 1.00 0.00 O ATOM 914 OE2 GLU B 20 36.046 -6.915 -6.227 1.00 0.00 O ATOM 0 H GLU B 20 34.232 -2.179 -4.078 1.00 0.00 H new ATOM 0 HA GLU B 20 33.480 -3.319 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU B 20 35.220 -4.103 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU B 20 33.941 -4.575 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU B 20 33.188 -6.341 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU B 20 33.949 -5.653 -6.618 1.00 0.00 H new ATOM 921 N ARG B 21 31.215 -3.807 -4.225 1.00 0.00 N ATOM 922 CA ARG B 21 29.797 -4.234 -4.061 1.00 0.00 C ATOM 923 C ARG B 21 28.882 -3.283 -4.836 1.00 0.00 C ATOM 924 O ARG B 21 27.943 -3.701 -5.484 1.00 0.00 O ATOM 925 CB ARG B 21 29.526 -4.144 -2.558 1.00 0.00 C ATOM 926 CG ARG B 21 28.116 -4.658 -2.260 1.00 0.00 C ATOM 927 CD ARG B 21 28.204 -5.998 -1.525 1.00 0.00 C ATOM 928 NE ARG B 21 28.167 -7.030 -2.599 1.00 0.00 N ATOM 929 CZ ARG B 21 28.607 -8.235 -2.360 1.00 0.00 C ATOM 930 NH1 ARG B 21 27.806 -9.135 -1.860 1.00 0.00 N ATOM 931 NH2 ARG B 21 29.849 -8.540 -2.621 1.00 0.00 N ATOM 0 H ARG B 21 31.657 -3.438 -3.383 1.00 0.00 H new ATOM 0 HA ARG B 21 29.613 -5.239 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG B 21 30.262 -4.732 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG B 21 29.627 -3.112 -2.221 1.00 0.00 H new ATOM 0 HG2 ARG B 21 27.574 -3.933 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG B 21 27.557 -4.777 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG B 21 29.122 -6.068 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG B 21 27.374 -6.122 -0.830 1.00 0.00 H new ATOM 0 HE ARG B 21 27.798 -6.795 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG B 21 26.835 -8.897 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG B 21 28.150 -10.077 -1.673 1.00 0.00 H new ATOM 0 HH21 ARG B 21 30.476 -7.836 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG B 21 30.193 -9.482 -2.434 1.00 0.00 H new ATOM 945 N ASN B 22 29.156 -2.006 -4.783 1.00 0.00 N ATOM 946 CA ASN B 22 28.308 -1.033 -5.528 1.00 0.00 C ATOM 947 C ASN B 22 28.088 -1.534 -6.956 1.00 0.00 C ATOM 948 O ASN B 22 26.979 -1.567 -7.452 1.00 0.00 O ATOM 949 CB ASN B 22 29.107 0.270 -5.532 1.00 0.00 C ATOM 950 CG ASN B 22 28.317 1.351 -6.271 1.00 0.00 C ATOM 951 OD1 ASN B 22 28.481 1.534 -7.461 1.00 0.00 O ATOM 952 ND2 ASN B 22 27.459 2.081 -5.612 1.00 0.00 N ATOM 0 H ASN B 22 29.928 -1.597 -4.257 1.00 0.00 H new ATOM 0 HA ASN B 22 27.325 -0.900 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN B 22 29.310 0.588 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN B 22 30.072 0.116 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN B 22 26.927 2.804 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN B 22 27.321 1.928 -4.613 1.00 0.00 H new ATOM 959 N GLU B 23 29.140 -1.934 -7.616 1.00 0.00 N ATOM 960 CA GLU B 23 29.000 -2.445 -9.007 1.00 0.00 C ATOM 961 C GLU B 23 28.252 -3.780 -8.993 1.00 0.00 C ATOM 962 O GLU B 23 27.397 -4.035 -9.817 1.00 0.00 O ATOM 963 CB GLU B 23 30.433 -2.635 -9.504 1.00 0.00 C ATOM 964 CG GLU B 23 30.413 -3.286 -10.888 1.00 0.00 C ATOM 965 CD GLU B 23 31.724 -2.978 -11.614 1.00 0.00 C ATOM 966 OE1 GLU B 23 32.736 -2.860 -10.943 1.00 0.00 O ATOM 967 OE2 GLU B 23 31.693 -2.866 -12.829 1.00 0.00 O ATOM 0 H GLU B 23 30.092 -1.929 -7.250 1.00 0.00 H new ATOM 0 HA GLU B 23 28.437 -1.767 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU B 23 30.943 -1.673 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU B 23 30.991 -3.258 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU B 23 30.282 -4.364 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU B 23 29.568 -2.912 -11.466 1.00 0.00 H new ATOM 974 N ALA B 24 28.565 -4.632 -8.053 1.00 0.00 N ATOM 975 CA ALA B 24 27.868 -5.947 -7.977 1.00 0.00 C ATOM 976 C ALA B 24 26.405 -5.735 -7.585 1.00 0.00 C ATOM 977 O ALA B 24 25.498 -6.138 -8.286 1.00 0.00 O ATOM 978 CB ALA B 24 28.609 -6.727 -6.890 1.00 0.00 C ATOM 0 H ALA B 24 29.273 -4.473 -7.336 1.00 0.00 H new ATOM 0 HA ALA B 24 27.873 -6.478 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA B 24 28.154 -7.711 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA B 24 29.655 -6.843 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA B 24 28.547 -6.185 -5.947 1.00 0.00 H new ATOM 984 N LEU B 25 26.167 -5.096 -6.471 1.00 0.00 N ATOM 985 CA LEU B 25 24.762 -4.850 -6.041 1.00 0.00 C ATOM 986 C LEU B 25 23.998 -4.136 -7.158 1.00 0.00 C ATOM 987 O LEU B 25 22.829 -4.380 -7.381 1.00 0.00 O ATOM 988 CB LEU B 25 24.877 -3.958 -4.805 1.00 0.00 C ATOM 989 CG LEU B 25 24.146 -4.611 -3.631 1.00 0.00 C ATOM 990 CD1 LEU B 25 22.684 -4.853 -4.007 1.00 0.00 C ATOM 991 CD2 LEU B 25 24.814 -5.947 -3.297 1.00 0.00 C ATOM 0 H LEU B 25 26.884 -4.735 -5.842 1.00 0.00 H new ATOM 0 HA LEU B 25 24.222 -5.771 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU B 25 25.926 -3.803 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU B 25 24.450 -2.976 -5.012 1.00 0.00 H new ATOM 0 HG LEU B 25 24.192 -3.952 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU B 25 22.165 -5.318 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU B 25 22.208 -3.902 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU B 25 22.636 -5.511 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU B 25 24.295 -6.414 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU B 25 24.768 -6.604 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU B 25 25.856 -5.775 -3.027 1.00 0.00 H new ATOM 1003 N GLU B 26 24.655 -3.262 -7.872 1.00 0.00 N ATOM 1004 CA GLU B 26 23.968 -2.547 -8.983 1.00 0.00 C ATOM 1005 C GLU B 26 23.370 -3.569 -9.952 1.00 0.00 C ATOM 1006 O GLU B 26 22.217 -3.490 -10.324 1.00 0.00 O ATOM 1007 CB GLU B 26 25.063 -1.729 -9.669 1.00 0.00 C ATOM 1008 CG GLU B 26 24.458 -0.930 -10.824 1.00 0.00 C ATOM 1009 CD GLU B 26 25.371 0.250 -11.163 1.00 0.00 C ATOM 1010 OE1 GLU B 26 26.298 0.492 -10.409 1.00 0.00 O ATOM 1011 OE2 GLU B 26 25.127 0.891 -12.172 1.00 0.00 O ATOM 0 H GLU B 26 25.635 -3.014 -7.734 1.00 0.00 H new ATOM 0 HA GLU B 26 23.153 -1.912 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU B 26 25.530 -1.054 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU B 26 25.846 -2.390 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU B 26 24.334 -1.570 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU B 26 23.466 -0.569 -10.550 1.00 0.00 H new ATOM 1018 N LEU B 27 24.149 -4.537 -10.352 1.00 0.00 N ATOM 1019 CA LEU B 27 23.632 -5.577 -11.284 1.00 0.00 C ATOM 1020 C LEU B 27 22.732 -6.552 -10.521 1.00 0.00 C ATOM 1021 O LEU B 27 21.859 -7.182 -11.085 1.00 0.00 O ATOM 1022 CB LEU B 27 24.878 -6.293 -11.809 1.00 0.00 C ATOM 1023 CG LEU B 27 24.607 -6.831 -13.215 1.00 0.00 C ATOM 1024 CD1 LEU B 27 25.887 -6.747 -14.049 1.00 0.00 C ATOM 1025 CD2 LEU B 27 24.156 -8.290 -13.122 1.00 0.00 C ATOM 0 H LEU B 27 25.123 -4.652 -10.072 1.00 0.00 H new ATOM 0 HA LEU B 27 23.037 -5.155 -12.094 1.00 0.00 H new ATOM 0 HB2 LEU B 27 25.724 -5.605 -11.829 1.00 0.00 H new ATOM 0 HB3 LEU B 27 25.148 -7.111 -11.141 1.00 0.00 H new ATOM 0 HG LEU B 27 23.825 -6.236 -13.688 1.00 0.00 H new ATOM 0 HD11 LEU B 27 25.694 -7.130 -15.051 1.00 0.00 H new ATOM 0 HD12 LEU B 27 26.211 -5.708 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU B 27 26.669 -7.342 -13.577 1.00 0.00 H new ATOM 0 HD21 LEU B 27 23.962 -8.675 -14.123 1.00 0.00 H new ATOM 0 HD22 LEU B 27 24.939 -8.883 -12.650 1.00 0.00 H new ATOM 0 HD23 LEU B 27 23.245 -8.352 -12.527 1.00 0.00 H new ATOM 1037 N LYS B 28 22.937 -6.676 -9.237 1.00 0.00 N ATOM 1038 CA LYS B 28 22.095 -7.604 -8.428 1.00 0.00 C ATOM 1039 C LYS B 28 20.620 -7.206 -8.543 1.00 0.00 C ATOM 1040 O LYS B 28 19.759 -8.034 -8.766 1.00 0.00 O ATOM 1041 CB LYS B 28 22.598 -7.434 -6.990 1.00 0.00 C ATOM 1042 CG LYS B 28 21.535 -7.921 -6.001 1.00 0.00 C ATOM 1043 CD LYS B 28 21.136 -9.357 -6.344 1.00 0.00 C ATOM 1044 CE LYS B 28 21.223 -10.225 -5.087 1.00 0.00 C ATOM 1045 NZ LYS B 28 21.241 -11.627 -5.588 1.00 0.00 N ATOM 0 H LYS B 28 23.653 -6.173 -8.712 1.00 0.00 H new ATOM 0 HA LYS B 28 22.168 -8.639 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS B 28 23.521 -7.997 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS B 28 22.831 -6.386 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS B 28 21.922 -7.873 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS B 28 20.661 -7.271 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS B 28 20.122 -9.378 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS B 28 21.793 -9.753 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS B 28 22.122 -9.999 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS B 28 20.372 -10.052 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.300 -12.283 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.370 -11.815 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 22.066 -11.764 -6.207 1.00 0.00 H new ATOM 1059 N ASP B 29 20.323 -5.944 -8.395 1.00 0.00 N ATOM 1060 CA ASP B 29 18.905 -5.495 -8.500 1.00 0.00 C ATOM 1061 C ASP B 29 18.495 -5.386 -9.971 1.00 0.00 C ATOM 1062 O ASP B 29 17.364 -5.646 -10.331 1.00 0.00 O ATOM 1063 CB ASP B 29 18.875 -4.119 -7.831 1.00 0.00 C ATOM 1064 CG ASP B 29 18.021 -4.186 -6.563 1.00 0.00 C ATOM 1065 OD1 ASP B 29 18.344 -4.982 -5.697 1.00 0.00 O ATOM 1066 OD2 ASP B 29 17.059 -3.440 -6.481 1.00 0.00 O ATOM 0 H ASP B 29 21.000 -5.205 -8.206 1.00 0.00 H new ATOM 0 HA ASP B 29 18.213 -6.193 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP B 29 19.888 -3.801 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP B 29 18.467 -3.378 -8.518 1.00 0.00 H new ATOM 1071 N ALA B 30 19.406 -5.004 -10.824 1.00 0.00 N ATOM 1072 CA ALA B 30 19.069 -4.880 -12.271 1.00 0.00 C ATOM 1073 C ALA B 30 18.790 -6.261 -12.870 1.00 0.00 C ATOM 1074 O ALA B 30 18.281 -6.381 -13.967 1.00 0.00 O ATOM 1075 CB ALA B 30 20.307 -4.257 -12.915 1.00 0.00 C ATOM 0 H ALA B 30 20.369 -4.772 -10.582 1.00 0.00 H new ATOM 0 HA ALA B 30 18.177 -4.276 -12.436 1.00 0.00 H new ATOM 0 HB1 ALA B 30 20.137 -4.133 -13.985 1.00 0.00 H new ATOM 0 HB2 ALA B 30 20.502 -3.284 -12.463 1.00 0.00 H new ATOM 0 HB3 ALA B 30 21.166 -4.909 -12.757 1.00 0.00 H new ATOM 1081 N GLN B 31 19.121 -7.303 -12.158 1.00 0.00 N ATOM 1082 CA GLN B 31 18.875 -8.676 -12.687 1.00 0.00 C ATOM 1083 C GLN B 31 17.627 -9.278 -12.035 1.00 0.00 C ATOM 1084 O GLN B 31 16.865 -9.983 -12.666 1.00 0.00 O ATOM 1085 CB GLN B 31 20.120 -9.477 -12.305 1.00 0.00 C ATOM 1086 CG GLN B 31 20.867 -9.894 -13.573 1.00 0.00 C ATOM 1087 CD GLN B 31 20.586 -11.368 -13.870 1.00 0.00 C ATOM 1088 OE1 GLN B 31 20.223 -12.119 -12.987 1.00 0.00 O ATOM 1089 NE2 GLN B 31 20.740 -11.816 -15.086 1.00 0.00 N ATOM 0 H GLN B 31 19.551 -7.264 -11.234 1.00 0.00 H new ATOM 0 HA GLN B 31 18.703 -8.679 -13.763 1.00 0.00 H new ATOM 0 HB2 GLN B 31 20.770 -8.877 -11.668 1.00 0.00 H new ATOM 0 HB3 GLN B 31 19.836 -10.359 -11.731 1.00 0.00 H new ATOM 0 HG2 GLN B 31 20.551 -9.276 -14.414 1.00 0.00 H new ATOM 0 HG3 GLN B 31 21.938 -9.736 -13.446 1.00 0.00 H new ATOM 0 HE21 GLN B 31 21.045 -11.185 -15.827 1.00 0.00 H new ATOM 0 HE22 GLN B 31 20.556 -12.797 -15.295 1.00 0.00 H new