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 179:sc= -0.873 USER MOD Single : A 8 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.99) USER MOD Single : A 17 GLN : amide:sc= -0.272 K(o=-0.27,f=-5.8!) USER MOD Single : A 22 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.08) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.352 K(o=-0.35,f=-3!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 170:sc= -0.745 USER MOD Single : B 8 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : B 17 GLN : amide:sc= -0.33 K(o=-0.33,f=-5.2!) USER MOD Single : B 22 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.088) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.329 K(o=-0.33,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 21.756 10.711 -7.134 1.00 0.00 N ATOM 38 CA TYR A 4 22.681 9.897 -6.294 1.00 0.00 C ATOM 39 C TYR A 4 22.248 8.428 -6.299 1.00 0.00 C ATOM 40 O TYR A 4 21.245 8.068 -6.883 1.00 0.00 O ATOM 41 CB TYR A 4 22.561 10.485 -4.888 1.00 0.00 C ATOM 42 CG TYR A 4 21.143 10.325 -4.395 1.00 0.00 C ATOM 43 CD1 TYR A 4 20.754 9.144 -3.752 1.00 0.00 C ATOM 44 CD2 TYR A 4 20.216 11.358 -4.581 1.00 0.00 C ATOM 45 CE1 TYR A 4 19.439 8.995 -3.294 1.00 0.00 C ATOM 46 CE2 TYR A 4 18.902 11.210 -4.123 1.00 0.00 C ATOM 47 CZ TYR A 4 18.513 10.029 -3.480 1.00 0.00 C ATOM 48 OH TYR A 4 17.216 9.883 -3.030 1.00 0.00 O ATOM 0 HA TYR A 4 23.706 9.927 -6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.252 9.981 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 4 22.837 11.539 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 4 21.469 8.347 -3.609 1.00 0.00 H new ATOM 0 HD2 TYR A 4 20.515 12.269 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 4 19.139 8.084 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 4 18.188 12.007 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 4 16.705 10.693 -3.238 1.00 0.00 H new ATOM 58 N PHE A 5 22.997 7.578 -5.651 1.00 0.00 N ATOM 59 CA PHE A 5 22.629 6.133 -5.617 1.00 0.00 C ATOM 60 C PHE A 5 22.473 5.662 -4.168 1.00 0.00 C ATOM 61 O PHE A 5 22.702 6.406 -3.235 1.00 0.00 O ATOM 62 CB PHE A 5 23.795 5.410 -6.292 1.00 0.00 C ATOM 63 CG PHE A 5 23.881 5.830 -7.740 1.00 0.00 C ATOM 64 CD1 PHE A 5 23.139 5.151 -8.713 1.00 0.00 C ATOM 65 CD2 PHE A 5 24.706 6.900 -8.109 1.00 0.00 C ATOM 66 CE1 PHE A 5 23.221 5.541 -10.055 1.00 0.00 C ATOM 67 CE2 PHE A 5 24.788 7.290 -9.451 1.00 0.00 C ATOM 68 CZ PHE A 5 24.046 6.611 -10.424 1.00 0.00 C ATOM 0 H PHE A 5 23.848 7.821 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 5 21.682 5.936 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 5 24.728 5.644 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 5 23.656 4.331 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 5 22.503 4.326 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 5 25.279 7.424 -7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 5 22.648 5.017 -10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 5 25.424 8.115 -9.735 1.00 0.00 H new ATOM 0 HZ PHE A 5 24.109 6.912 -11.459 1.00 0.00 H new ATOM 78 N THR A 6 22.087 4.431 -3.974 1.00 0.00 N ATOM 79 CA THR A 6 21.918 3.913 -2.586 1.00 0.00 C ATOM 80 C THR A 6 22.105 2.394 -2.564 1.00 0.00 C ATOM 81 O THR A 6 22.066 1.739 -3.586 1.00 0.00 O ATOM 82 CB THR A 6 20.486 4.283 -2.195 1.00 0.00 C ATOM 83 OG1 THR A 6 20.242 5.642 -2.531 1.00 0.00 O ATOM 84 CG2 THR A 6 20.299 4.086 -0.690 1.00 0.00 C ATOM 0 H THR A 6 21.881 3.762 -4.716 1.00 0.00 H new ATOM 0 HA THR A 6 22.649 4.334 -1.896 1.00 0.00 H new ATOM 0 HB THR A 6 19.785 3.644 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.318 5.875 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.278 4.350 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 6 20.487 3.043 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 6 20.998 4.724 -0.150 1.00 0.00 H new ATOM 92 N LEU A 7 22.310 1.828 -1.406 1.00 0.00 N ATOM 93 CA LEU A 7 22.501 0.352 -1.322 1.00 0.00 C ATOM 94 C LEU A 7 22.015 -0.170 0.033 1.00 0.00 C ATOM 95 O LEU A 7 21.770 0.588 0.950 1.00 0.00 O ATOM 96 CB LEU A 7 24.008 0.140 -1.468 1.00 0.00 C ATOM 97 CG LEU A 7 24.322 -0.341 -2.885 1.00 0.00 C ATOM 98 CD1 LEU A 7 25.811 -0.141 -3.173 1.00 0.00 C ATOM 99 CD2 LEU A 7 23.976 -1.827 -3.006 1.00 0.00 C ATOM 0 H LEU A 7 22.353 2.323 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 7 21.937 -0.181 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.538 1.070 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.355 -0.592 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 7 23.733 0.231 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.035 -0.484 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.060 0.917 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 7 26.400 -0.713 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.199 -2.172 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 7 24.566 -2.398 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 7 22.916 -1.972 -2.799 1.00 0.00 H new ATOM 111 N GLN A 8 21.876 -1.461 0.166 1.00 0.00 N ATOM 112 CA GLN A 8 21.408 -2.032 1.462 1.00 0.00 C ATOM 113 C GLN A 8 22.349 -3.151 1.915 1.00 0.00 C ATOM 114 O GLN A 8 22.708 -4.021 1.147 1.00 0.00 O ATOM 115 CB GLN A 8 20.013 -2.587 1.169 1.00 0.00 C ATOM 116 CG GLN A 8 19.179 -1.524 0.452 1.00 0.00 C ATOM 117 CD GLN A 8 17.843 -1.350 1.175 1.00 0.00 C ATOM 118 OE1 GLN A 8 17.315 -2.290 1.735 1.00 0.00 O ATOM 119 NE2 GLN A 8 17.269 -0.178 1.188 1.00 0.00 N ATOM 0 H GLN A 8 22.066 -2.145 -0.566 1.00 0.00 H new ATOM 0 HA GLN A 8 21.391 -1.290 2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 8 20.089 -3.482 0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.525 -2.881 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.719 -0.577 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 8 19.008 -1.818 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.712 0.612 0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.378 -0.052 1.668 1.00 0.00 H new ATOM 128 N ILE A 9 22.751 -3.136 3.156 1.00 0.00 N ATOM 129 CA ILE A 9 23.670 -4.200 3.655 1.00 0.00 C ATOM 130 C ILE A 9 23.014 -4.974 4.801 1.00 0.00 C ATOM 131 O ILE A 9 22.113 -4.488 5.456 1.00 0.00 O ATOM 132 CB ILE A 9 24.907 -3.452 4.152 1.00 0.00 C ATOM 133 CG1 ILE A 9 25.698 -2.923 2.954 1.00 0.00 C ATOM 134 CG2 ILE A 9 25.787 -4.404 4.964 1.00 0.00 C ATOM 135 CD1 ILE A 9 26.144 -1.486 3.231 1.00 0.00 C ATOM 0 H ILE A 9 22.484 -2.434 3.846 1.00 0.00 H new ATOM 0 HA ILE A 9 23.916 -4.928 2.882 1.00 0.00 H new ATOM 0 HB ILE A 9 24.598 -2.617 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 9 26.566 -3.556 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 9 25.083 -2.957 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 9 26.669 -3.871 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 9 25.224 -4.781 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 9 26.096 -5.239 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 9 26.708 -1.109 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 9 25.268 -0.858 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 9 26.775 -1.466 4.120 1.00 0.00 H new ATOM 147 N ARG A 10 23.460 -6.175 5.050 1.00 0.00 N ATOM 148 CA ARG A 10 22.862 -6.978 6.155 1.00 0.00 C ATOM 149 C ARG A 10 23.963 -7.677 6.957 1.00 0.00 C ATOM 150 O ARG A 10 24.350 -8.790 6.659 1.00 0.00 O ATOM 151 CB ARG A 10 21.969 -8.007 5.461 1.00 0.00 C ATOM 152 CG ARG A 10 21.486 -9.037 6.484 1.00 0.00 C ATOM 153 CD ARG A 10 20.108 -9.561 6.073 1.00 0.00 C ATOM 154 NE ARG A 10 19.946 -10.840 6.818 1.00 0.00 N ATOM 155 CZ ARG A 10 19.082 -11.728 6.410 1.00 0.00 C ATOM 156 NH1 ARG A 10 17.808 -11.547 6.627 1.00 0.00 N ATOM 157 NH2 ARG A 10 19.492 -12.798 5.784 1.00 0.00 N ATOM 0 H ARG A 10 24.212 -6.635 4.537 1.00 0.00 H new ATOM 0 HA ARG A 10 22.302 -6.360 6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 10 21.116 -7.511 4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 10 22.521 -8.503 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 10 22.196 -9.862 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.434 -8.584 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.322 -8.851 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.051 -9.721 4.996 1.00 0.00 H new ATOM 0 HE ARG A 10 20.511 -11.022 7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.488 -10.711 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.133 -12.242 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.488 -12.939 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.817 -13.492 5.465 1.00 0.00 H new ATOM 171 N GLY A 11 24.471 -7.033 7.972 1.00 0.00 N ATOM 172 CA GLY A 11 25.546 -7.662 8.791 1.00 0.00 C ATOM 173 C GLY A 11 26.607 -6.615 9.135 1.00 0.00 C ATOM 174 O GLY A 11 27.399 -6.223 8.301 1.00 0.00 O ATOM 0 H GLY A 11 24.188 -6.099 8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.124 -8.080 9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 11 25.999 -8.488 8.242 1.00 0.00 H new ATOM 178 N ARG A 12 26.631 -6.160 10.358 1.00 0.00 N ATOM 179 CA ARG A 12 27.642 -5.139 10.755 1.00 0.00 C ATOM 180 C ARG A 12 29.017 -5.507 10.189 1.00 0.00 C ATOM 181 O ARG A 12 29.677 -4.702 9.564 1.00 0.00 O ATOM 182 CB ARG A 12 27.663 -5.178 12.284 1.00 0.00 C ATOM 183 CG ARG A 12 27.956 -3.778 12.828 1.00 0.00 C ATOM 184 CD ARG A 12 26.776 -3.304 13.680 1.00 0.00 C ATOM 185 NE ARG A 12 27.390 -2.805 14.942 1.00 0.00 N ATOM 186 CZ ARG A 12 26.740 -2.907 16.068 1.00 0.00 C ATOM 187 NH1 ARG A 12 25.750 -2.097 16.327 1.00 0.00 N ATOM 188 NH2 ARG A 12 27.079 -3.819 16.937 1.00 0.00 N ATOM 0 H ARG A 12 25.994 -6.451 11.100 1.00 0.00 H new ATOM 0 HA ARG A 12 27.399 -4.147 10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 12 26.704 -5.533 12.662 1.00 0.00 H new ATOM 0 HB3 ARG A 12 28.422 -5.880 12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 12 28.867 -3.792 13.426 1.00 0.00 H new ATOM 0 HG3 ARG A 12 28.125 -3.084 12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 12 26.215 -2.517 13.175 1.00 0.00 H new ATOM 0 HD3 ARG A 12 26.078 -4.118 13.875 1.00 0.00 H new ATOM 0 HE ARG A 12 28.319 -2.384 14.926 1.00 0.00 H new ATOM 0 HH11 ARG A 12 25.484 -1.383 15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 12 25.242 -2.178 17.208 1.00 0.00 H new ATOM 0 HH21 ARG A 12 27.853 -4.453 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 12 26.570 -3.898 17.818 1.00 0.00 H new ATOM 202 N GLU A 13 29.452 -6.719 10.404 1.00 0.00 N ATOM 203 CA GLU A 13 30.783 -7.139 9.878 1.00 0.00 C ATOM 204 C GLU A 13 30.977 -6.624 8.448 1.00 0.00 C ATOM 205 O GLU A 13 32.025 -6.121 8.096 1.00 0.00 O ATOM 206 CB GLU A 13 30.751 -8.667 9.898 1.00 0.00 C ATOM 207 CG GLU A 13 30.566 -9.156 11.336 1.00 0.00 C ATOM 208 CD GLU A 13 29.404 -10.150 11.392 1.00 0.00 C ATOM 209 OE1 GLU A 13 28.357 -9.839 10.848 1.00 0.00 O ATOM 210 OE2 GLU A 13 29.580 -11.205 11.978 1.00 0.00 O ATOM 0 H GLU A 13 28.944 -7.436 10.921 1.00 0.00 H new ATOM 0 HA GLU A 13 31.606 -6.740 10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.938 -9.032 9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 13 31.677 -9.066 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 13 31.481 -9.630 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 13 30.368 -8.311 11.996 1.00 0.00 H new ATOM 217 N ARG A 14 29.972 -6.740 7.624 1.00 0.00 N ATOM 218 CA ARG A 14 30.092 -6.253 6.223 1.00 0.00 C ATOM 219 C ARG A 14 29.827 -4.749 6.186 1.00 0.00 C ATOM 220 O ARG A 14 30.468 -4.005 5.465 1.00 0.00 O ATOM 221 CB ARG A 14 29.015 -7.011 5.446 1.00 0.00 C ATOM 222 CG ARG A 14 29.362 -8.501 5.413 1.00 0.00 C ATOM 223 CD ARG A 14 28.388 -9.274 6.306 1.00 0.00 C ATOM 224 NE ARG A 14 28.987 -10.630 6.445 1.00 0.00 N ATOM 225 CZ ARG A 14 28.955 -11.243 7.597 1.00 0.00 C ATOM 226 NH1 ARG A 14 27.886 -11.176 8.342 1.00 0.00 N ATOM 227 NH2 ARG A 14 29.993 -11.922 8.004 1.00 0.00 N ATOM 0 H ARG A 14 29.070 -7.153 7.863 1.00 0.00 H new ATOM 0 HA ARG A 14 31.083 -6.420 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.042 -6.864 5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 14 28.942 -6.621 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 14 29.309 -8.875 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 14 30.385 -8.654 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 14 28.274 -8.791 7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.396 -9.325 5.857 1.00 0.00 H new ATOM 0 HE ARG A 14 29.422 -11.080 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.075 -10.645 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.861 -11.655 9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 14 30.829 -11.973 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.968 -12.401 8.904 1.00 0.00 H new ATOM 241 N PHE A 15 28.885 -4.293 6.966 1.00 0.00 N ATOM 242 CA PHE A 15 28.583 -2.840 6.982 1.00 0.00 C ATOM 243 C PHE A 15 29.867 -2.056 7.251 1.00 0.00 C ATOM 244 O PHE A 15 30.186 -1.110 6.559 1.00 0.00 O ATOM 245 CB PHE A 15 27.583 -2.643 8.120 1.00 0.00 C ATOM 246 CG PHE A 15 27.080 -1.220 8.096 1.00 0.00 C ATOM 247 CD1 PHE A 15 26.149 -0.824 7.128 1.00 0.00 C ATOM 248 CD2 PHE A 15 27.550 -0.295 9.036 1.00 0.00 C ATOM 249 CE1 PHE A 15 25.688 0.498 7.101 1.00 0.00 C ATOM 250 CE2 PHE A 15 27.088 1.026 9.009 1.00 0.00 C ATOM 251 CZ PHE A 15 26.157 1.422 8.041 1.00 0.00 C ATOM 0 H PHE A 15 28.315 -4.864 7.590 1.00 0.00 H new ATOM 0 HA PHE A 15 28.177 -2.489 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 26.750 -3.338 8.013 1.00 0.00 H new ATOM 0 HB3 PHE A 15 28.057 -2.858 9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 15 25.787 -1.538 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 15 28.269 -0.601 9.782 1.00 0.00 H new ATOM 0 HE1 PHE A 15 24.970 0.804 6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.450 1.740 9.735 1.00 0.00 H new ATOM 0 HZ PHE A 15 25.801 2.441 8.020 1.00 0.00 H new ATOM 261 N GLU A 16 30.615 -2.453 8.245 1.00 0.00 N ATOM 262 CA GLU A 16 31.885 -1.736 8.544 1.00 0.00 C ATOM 263 C GLU A 16 32.647 -1.499 7.241 1.00 0.00 C ATOM 264 O GLU A 16 33.308 -0.494 7.068 1.00 0.00 O ATOM 265 CB GLU A 16 32.667 -2.672 9.466 1.00 0.00 C ATOM 266 CG GLU A 16 32.137 -2.541 10.896 1.00 0.00 C ATOM 267 CD GLU A 16 33.060 -1.624 11.701 1.00 0.00 C ATOM 268 OE1 GLU A 16 33.069 -0.436 11.424 1.00 0.00 O ATOM 269 OE2 GLU A 16 33.740 -2.125 12.581 1.00 0.00 O ATOM 0 H GLU A 16 30.402 -3.239 8.859 1.00 0.00 H new ATOM 0 HA GLU A 16 31.722 -0.764 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.569 -3.702 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.728 -2.426 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.125 -2.136 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.082 -3.523 11.366 1.00 0.00 H new ATOM 276 N GLN A 17 32.549 -2.416 6.316 1.00 0.00 N ATOM 277 CA GLN A 17 33.258 -2.238 5.017 1.00 0.00 C ATOM 278 C GLN A 17 32.602 -1.105 4.225 1.00 0.00 C ATOM 279 O GLN A 17 33.267 -0.232 3.704 1.00 0.00 O ATOM 280 CB GLN A 17 33.094 -3.570 4.285 1.00 0.00 C ATOM 281 CG GLN A 17 33.668 -4.698 5.144 1.00 0.00 C ATOM 282 CD GLN A 17 35.195 -4.652 5.092 1.00 0.00 C ATOM 283 OE1 GLN A 17 35.767 -3.961 4.272 1.00 0.00 O ATOM 284 NE2 GLN A 17 35.886 -5.364 5.940 1.00 0.00 N ATOM 0 H GLN A 17 32.010 -3.278 6.404 1.00 0.00 H new ATOM 0 HA GLN A 17 34.309 -1.978 5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 17 32.040 -3.756 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 17 33.606 -3.534 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 17 33.325 -4.596 6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 17 33.310 -5.662 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.407 -5.944 6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.905 -5.340 5.914 1.00 0.00 H new ATOM 293 N PHE A 18 31.299 -1.109 4.138 1.00 0.00 N ATOM 294 CA PHE A 18 30.601 -0.026 3.385 1.00 0.00 C ATOM 295 C PHE A 18 30.722 1.299 4.143 1.00 0.00 C ATOM 296 O PHE A 18 31.225 2.276 3.624 1.00 0.00 O ATOM 297 CB PHE A 18 29.141 -0.470 3.307 1.00 0.00 C ATOM 298 CG PHE A 18 29.058 -1.785 2.571 1.00 0.00 C ATOM 299 CD1 PHE A 18 29.045 -1.805 1.171 1.00 0.00 C ATOM 300 CD2 PHE A 18 28.995 -2.985 3.288 1.00 0.00 C ATOM 301 CE1 PHE A 18 28.970 -3.024 0.489 1.00 0.00 C ATOM 302 CE2 PHE A 18 28.919 -4.205 2.606 1.00 0.00 C ATOM 303 CZ PHE A 18 28.907 -4.225 1.206 1.00 0.00 C ATOM 0 H PHE A 18 30.689 -1.813 4.554 1.00 0.00 H new ATOM 0 HA PHE A 18 31.028 0.132 2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.727 -0.575 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.546 0.285 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 18 29.093 -0.879 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.005 -2.970 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.961 -3.039 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.870 -5.131 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 18 28.849 -5.166 0.680 1.00 0.00 H new ATOM 313 N ARG A 19 30.271 1.339 5.370 1.00 0.00 N ATOM 314 CA ARG A 19 30.370 2.601 6.159 1.00 0.00 C ATOM 315 C ARG A 19 31.744 3.240 5.943 1.00 0.00 C ATOM 316 O ARG A 19 31.859 4.320 5.396 1.00 0.00 O ATOM 317 CB ARG A 19 30.200 2.172 7.617 1.00 0.00 C ATOM 318 CG ARG A 19 30.320 3.397 8.526 1.00 0.00 C ATOM 319 CD ARG A 19 29.025 4.210 8.462 1.00 0.00 C ATOM 320 NE ARG A 19 29.344 5.495 9.142 1.00 0.00 N ATOM 321 CZ ARG A 19 28.762 6.599 8.760 1.00 0.00 C ATOM 322 NH1 ARG A 19 28.636 6.864 7.488 1.00 0.00 N ATOM 323 NH2 ARG A 19 28.305 7.437 9.649 1.00 0.00 N ATOM 0 H ARG A 19 29.840 0.554 5.858 1.00 0.00 H new ATOM 0 HA ARG A 19 29.622 3.337 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 29.229 1.696 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 19 30.958 1.434 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 19 30.515 3.084 9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 19 31.164 4.013 8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 19 28.713 4.376 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 19 28.208 3.691 8.962 1.00 0.00 H new ATOM 0 HE ARG A 19 30.018 5.513 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 19 28.992 6.208 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 19 28.181 7.727 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 19 28.402 7.230 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 19 27.850 8.300 9.350 1.00 0.00 H new ATOM 337 N GLU A 20 32.789 2.576 6.357 1.00 0.00 N ATOM 338 CA GLU A 20 34.152 3.143 6.158 1.00 0.00 C ATOM 339 C GLU A 20 34.291 3.621 4.713 1.00 0.00 C ATOM 340 O GLU A 20 34.793 4.695 4.445 1.00 0.00 O ATOM 341 CB GLU A 20 35.110 1.984 6.441 1.00 0.00 C ATOM 342 CG GLU A 20 36.554 2.464 6.286 1.00 0.00 C ATOM 343 CD GLU A 20 37.511 1.342 6.694 1.00 0.00 C ATOM 344 OE1 GLU A 20 37.558 0.345 5.992 1.00 0.00 O ATOM 345 OE2 GLU A 20 38.181 1.498 7.701 1.00 0.00 O ATOM 0 H GLU A 20 32.758 1.669 6.823 1.00 0.00 H new ATOM 0 HA GLU A 20 34.356 3.996 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 20 34.949 1.603 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 20 34.914 1.161 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 20 36.742 2.759 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 20 36.724 3.345 6.905 1.00 0.00 H new ATOM 352 N ARG A 21 33.834 2.832 3.778 1.00 0.00 N ATOM 353 CA ARG A 21 33.920 3.239 2.349 1.00 0.00 C ATOM 354 C ARG A 21 33.123 4.528 2.137 1.00 0.00 C ATOM 355 O ARG A 21 33.513 5.395 1.380 1.00 0.00 O ATOM 356 CB ARG A 21 33.296 2.082 1.569 1.00 0.00 C ATOM 357 CG ARG A 21 33.550 2.276 0.074 1.00 0.00 C ATOM 358 CD ARG A 21 34.471 1.164 -0.436 1.00 0.00 C ATOM 359 NE ARG A 21 35.632 1.874 -1.043 1.00 0.00 N ATOM 360 CZ ARG A 21 36.734 1.223 -1.298 1.00 0.00 C ATOM 361 NH1 ARG A 21 37.246 0.428 -0.399 1.00 0.00 N ATOM 362 NH2 ARG A 21 37.324 1.367 -2.454 1.00 0.00 N ATOM 0 H ARG A 21 33.404 1.922 3.944 1.00 0.00 H new ATOM 0 HA ARG A 21 34.943 3.434 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.722 1.135 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.224 2.035 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 21 32.606 2.260 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.005 3.250 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.789 0.511 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.964 0.537 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 21 35.565 2.869 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.785 0.315 0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.107 -0.080 -0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.924 1.988 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 21 38.185 0.858 -2.654 1.00 0.00 H new ATOM 376 N ASN A 22 32.011 4.662 2.810 1.00 0.00 N ATOM 377 CA ASN A 22 31.193 5.898 2.658 1.00 0.00 C ATOM 378 C ASN A 22 32.059 7.124 2.949 1.00 0.00 C ATOM 379 O ASN A 22 32.232 7.991 2.112 1.00 0.00 O ATOM 380 CB ASN A 22 30.079 5.765 3.698 1.00 0.00 C ATOM 381 CG ASN A 22 28.963 6.763 3.382 1.00 0.00 C ATOM 382 OD1 ASN A 22 28.579 7.549 4.225 1.00 0.00 O ATOM 383 ND2 ASN A 22 28.423 6.764 2.194 1.00 0.00 N ATOM 0 H ASN A 22 31.635 3.969 3.457 1.00 0.00 H new ATOM 0 HA ASN A 22 30.792 6.017 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 22 29.684 4.749 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 22 30.475 5.950 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.678 7.425 1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.746 6.104 1.487 1.00 0.00 H new ATOM 390 N GLU A 23 32.617 7.200 4.127 1.00 0.00 N ATOM 391 CA GLU A 23 33.482 8.366 4.457 1.00 0.00 C ATOM 392 C GLU A 23 34.499 8.572 3.334 1.00 0.00 C ATOM 393 O GLU A 23 34.784 9.684 2.934 1.00 0.00 O ATOM 394 CB GLU A 23 34.185 7.989 5.761 1.00 0.00 C ATOM 395 CG GLU A 23 34.974 9.193 6.280 1.00 0.00 C ATOM 396 CD GLU A 23 35.937 8.740 7.378 1.00 0.00 C ATOM 397 OE1 GLU A 23 37.031 8.318 7.041 1.00 0.00 O ATOM 398 OE2 GLU A 23 35.565 8.823 8.537 1.00 0.00 O ATOM 0 H GLU A 23 32.512 6.509 4.870 1.00 0.00 H new ATOM 0 HA GLU A 23 32.919 9.293 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 33.452 7.673 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 34.855 7.145 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 23 35.529 9.656 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 23 34.291 9.948 6.670 1.00 0.00 H new ATOM 405 N ALA A 24 35.036 7.502 2.812 1.00 0.00 N ATOM 406 CA ALA A 24 36.022 7.632 1.703 1.00 0.00 C ATOM 407 C ALA A 24 35.390 8.406 0.546 1.00 0.00 C ATOM 408 O ALA A 24 35.972 9.328 0.010 1.00 0.00 O ATOM 409 CB ALA A 24 36.338 6.196 1.282 1.00 0.00 C ATOM 0 H ALA A 24 34.835 6.546 3.105 1.00 0.00 H new ATOM 0 HA ALA A 24 36.922 8.170 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 24 37.060 6.207 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 36.756 5.652 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 24 35.423 5.704 0.951 1.00 0.00 H new ATOM 415 N LEU A 25 34.193 8.046 0.166 1.00 0.00 N ATOM 416 CA LEU A 25 33.518 8.771 -0.946 1.00 0.00 C ATOM 417 C LEU A 25 33.561 10.275 -0.670 1.00 0.00 C ATOM 418 O LEU A 25 33.847 11.070 -1.542 1.00 0.00 O ATOM 419 CB LEU A 25 32.076 8.258 -0.940 1.00 0.00 C ATOM 420 CG LEU A 25 31.178 9.233 -1.707 1.00 0.00 C ATOM 421 CD1 LEU A 25 30.144 8.447 -2.516 1.00 0.00 C ATOM 422 CD2 LEU A 25 30.458 10.149 -0.715 1.00 0.00 C ATOM 0 H LEU A 25 33.656 7.283 0.577 1.00 0.00 H new ATOM 0 HA LEU A 25 33.996 8.604 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 25 32.030 7.270 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 25 31.722 8.152 0.085 1.00 0.00 H new ATOM 0 HG LEU A 25 31.787 9.834 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 25 29.505 9.141 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 25 30.655 7.793 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 25 29.534 7.846 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 25 29.818 10.844 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 29.849 9.547 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 25 31.193 10.709 -0.138 1.00 0.00 H new ATOM 434 N GLU A 26 33.286 10.668 0.544 1.00 0.00 N ATOM 435 CA GLU A 26 33.322 12.120 0.879 1.00 0.00 C ATOM 436 C GLU A 26 34.684 12.705 0.496 1.00 0.00 C ATOM 437 O GLU A 26 34.773 13.678 -0.227 1.00 0.00 O ATOM 438 CB GLU A 26 33.115 12.185 2.393 1.00 0.00 C ATOM 439 CG GLU A 26 31.912 13.077 2.706 1.00 0.00 C ATOM 440 CD GLU A 26 31.854 13.348 4.210 1.00 0.00 C ATOM 441 OE1 GLU A 26 31.390 12.480 4.931 1.00 0.00 O ATOM 442 OE2 GLU A 26 32.275 14.419 4.615 1.00 0.00 O ATOM 0 H GLU A 26 33.039 10.049 1.316 1.00 0.00 H new ATOM 0 HA GLU A 26 32.563 12.691 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 26 32.952 11.184 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 26 34.009 12.579 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 31.991 14.017 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 26 30.992 12.593 2.377 1.00 0.00 H new ATOM 449 N LEU A 27 35.746 12.111 0.969 1.00 0.00 N ATOM 450 CA LEU A 27 37.102 12.626 0.625 1.00 0.00 C ATOM 451 C LEU A 27 37.417 12.324 -0.841 1.00 0.00 C ATOM 452 O LEU A 27 38.065 13.095 -1.521 1.00 0.00 O ATOM 453 CB LEU A 27 38.061 11.872 1.548 1.00 0.00 C ATOM 454 CG LEU A 27 38.368 12.730 2.776 1.00 0.00 C ATOM 455 CD1 LEU A 27 37.225 12.605 3.785 1.00 0.00 C ATOM 456 CD2 LEU A 27 39.671 12.251 3.419 1.00 0.00 C ATOM 0 H LEU A 27 35.733 11.293 1.578 1.00 0.00 H new ATOM 0 HA LEU A 27 37.182 13.705 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 37.618 10.925 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 27 38.983 11.635 1.017 1.00 0.00 H new ATOM 0 HG LEU A 27 38.473 13.772 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 27 37.444 13.217 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 27 36.296 12.946 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 37.119 11.563 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 27 39.891 12.862 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 27 39.566 11.209 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 27 40.486 12.340 2.700 1.00 0.00 H new ATOM 468 N LYS A 28 36.958 11.206 -1.335 1.00 0.00 N ATOM 469 CA LYS A 28 37.224 10.854 -2.759 1.00 0.00 C ATOM 470 C LYS A 28 36.661 11.940 -3.678 1.00 0.00 C ATOM 471 O LYS A 28 37.224 12.251 -4.709 1.00 0.00 O ATOM 472 CB LYS A 28 36.494 9.529 -2.982 1.00 0.00 C ATOM 473 CG LYS A 28 36.432 9.223 -4.480 1.00 0.00 C ATOM 474 CD LYS A 28 37.819 9.408 -5.098 1.00 0.00 C ATOM 475 CE LYS A 28 38.764 8.327 -4.566 1.00 0.00 C ATOM 476 NZ LYS A 28 39.977 8.419 -5.427 1.00 0.00 N ATOM 0 H LYS A 28 36.410 10.521 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 28 38.289 10.771 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 28 37.010 8.725 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 28 35.486 9.583 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.085 8.202 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.714 9.883 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 28 37.756 9.348 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 38.208 10.397 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 39.010 8.498 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 38.309 7.339 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 40.673 7.708 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 39.713 8.245 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 40.393 9.368 -5.341 1.00 0.00 H new ATOM 490 N ASP A 29 35.553 12.523 -3.307 1.00 0.00 N ATOM 491 CA ASP A 29 34.952 13.593 -4.153 1.00 0.00 C ATOM 492 C ASP A 29 35.759 14.886 -4.015 1.00 0.00 C ATOM 493 O ASP A 29 36.177 15.476 -4.991 1.00 0.00 O ATOM 494 CB ASP A 29 33.538 13.783 -3.605 1.00 0.00 C ATOM 495 CG ASP A 29 32.550 12.972 -4.445 1.00 0.00 C ATOM 496 OD1 ASP A 29 32.448 13.243 -5.630 1.00 0.00 O ATOM 497 OD2 ASP A 29 31.912 12.093 -3.889 1.00 0.00 O ATOM 0 H ASP A 29 35.038 12.304 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 29 34.946 13.331 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 29 33.494 13.463 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 29 33.268 14.839 -3.626 1.00 0.00 H new ATOM 502 N ALA A 30 35.981 15.329 -2.807 1.00 0.00 N ATOM 503 CA ALA A 30 36.762 16.584 -2.605 1.00 0.00 C ATOM 504 C ALA A 30 38.221 16.372 -3.019 1.00 0.00 C ATOM 505 O ALA A 30 38.999 17.302 -3.083 1.00 0.00 O ATOM 506 CB ALA A 30 36.665 16.873 -1.107 1.00 0.00 C ATOM 0 H ALA A 30 35.656 14.877 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 30 36.380 17.410 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 30 37.216 17.785 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 30 35.619 17.001 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 30 37.091 16.040 -0.547 1.00 0.00 H new ATOM 512 N GLN A 31 38.597 15.154 -3.299 1.00 0.00 N ATOM 513 CA GLN A 31 40.006 14.884 -3.708 1.00 0.00 C ATOM 514 C GLN A 31 40.280 15.485 -5.089 1.00 0.00 C ATOM 515 O GLN A 31 41.142 16.326 -5.250 1.00 0.00 O ATOM 516 CB GLN A 31 40.120 13.359 -3.753 1.00 0.00 C ATOM 517 CG GLN A 31 41.099 12.887 -2.676 1.00 0.00 C ATOM 518 CD GLN A 31 41.979 11.770 -3.240 1.00 0.00 C ATOM 519 OE1 GLN A 31 42.122 11.640 -4.440 1.00 0.00 O ATOM 520 NE2 GLN A 31 42.581 10.953 -2.419 1.00 0.00 N ATOM 0 H GLN A 31 37.991 14.335 -3.263 1.00 0.00 H new ATOM 0 HA GLN A 31 40.728 15.326 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.142 12.906 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.463 13.038 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.719 13.720 -2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 31 40.552 12.528 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.461 11.062 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.171 10.206 -2.785 1.00 0.00 H new ATOM 606 N TYR B 4 19.373 -5.737 9.809 1.00 0.00 N ATOM 607 CA TYR B 4 20.389 -5.414 8.765 1.00 0.00 C ATOM 608 C TYR B 4 20.703 -3.915 8.776 1.00 0.00 C ATOM 609 O TYR B 4 20.121 -3.153 9.521 1.00 0.00 O ATOM 610 CB TYR B 4 19.736 -5.814 7.442 1.00 0.00 C ATOM 611 CG TYR B 4 18.493 -4.985 7.222 1.00 0.00 C ATOM 612 CD1 TYR B 4 18.588 -3.733 6.604 1.00 0.00 C ATOM 613 CD2 TYR B 4 17.247 -5.470 7.635 1.00 0.00 C ATOM 614 CE1 TYR B 4 17.435 -2.964 6.401 1.00 0.00 C ATOM 615 CE2 TYR B 4 16.094 -4.702 7.431 1.00 0.00 C ATOM 616 CZ TYR B 4 16.189 -3.449 6.814 1.00 0.00 C ATOM 617 OH TYR B 4 15.053 -2.691 6.613 1.00 0.00 O ATOM 0 HA TYR B 4 21.331 -5.936 8.931 1.00 0.00 H new ATOM 0 HB2 TYR B 4 20.435 -5.665 6.619 1.00 0.00 H new ATOM 0 HB3 TYR B 4 19.481 -6.874 7.456 1.00 0.00 H new ATOM 0 HD1 TYR B 4 19.550 -3.360 6.284 1.00 0.00 H new ATOM 0 HD2 TYR B 4 17.175 -6.437 8.111 1.00 0.00 H new ATOM 0 HE1 TYR B 4 17.508 -1.997 5.926 1.00 0.00 H new ATOM 0 HE2 TYR B 4 15.132 -5.076 7.749 1.00 0.00 H new ATOM 0 HH TYR B 4 14.273 -3.174 6.957 1.00 0.00 H new ATOM 627 N PHE B 5 21.622 -3.488 7.952 1.00 0.00 N ATOM 628 CA PHE B 5 21.975 -2.039 7.914 1.00 0.00 C ATOM 629 C PHE B 5 21.780 -1.484 6.500 1.00 0.00 C ATOM 630 O PHE B 5 21.450 -2.205 5.580 1.00 0.00 O ATOM 631 CB PHE B 5 23.449 -1.979 8.314 1.00 0.00 C ATOM 632 CG PHE B 5 23.608 -2.458 9.737 1.00 0.00 C ATOM 633 CD1 PHE B 5 23.474 -1.555 10.798 1.00 0.00 C ATOM 634 CD2 PHE B 5 23.891 -3.805 9.995 1.00 0.00 C ATOM 635 CE1 PHE B 5 23.623 -1.998 12.118 1.00 0.00 C ATOM 636 CE2 PHE B 5 24.039 -4.248 11.315 1.00 0.00 C ATOM 637 CZ PHE B 5 23.905 -3.345 12.376 1.00 0.00 C ATOM 0 H PHE B 5 22.143 -4.079 7.304 1.00 0.00 H new ATOM 0 HA PHE B 5 21.348 -1.444 8.578 1.00 0.00 H new ATOM 0 HB2 PHE B 5 24.044 -2.598 7.643 1.00 0.00 H new ATOM 0 HB3 PHE B 5 23.821 -0.959 8.219 1.00 0.00 H new ATOM 0 HD1 PHE B 5 23.256 -0.516 10.599 1.00 0.00 H new ATOM 0 HD2 PHE B 5 23.995 -4.502 9.176 1.00 0.00 H new ATOM 0 HE1 PHE B 5 23.520 -1.301 12.937 1.00 0.00 H new ATOM 0 HE2 PHE B 5 24.257 -5.287 11.515 1.00 0.00 H new ATOM 0 HZ PHE B 5 24.019 -3.687 13.394 1.00 0.00 H new ATOM 647 N THR B 6 21.983 -0.207 6.321 1.00 0.00 N ATOM 648 CA THR B 6 21.811 0.394 4.966 1.00 0.00 C ATOM 649 C THR B 6 22.679 1.648 4.830 1.00 0.00 C ATOM 650 O THR B 6 23.149 2.199 5.806 1.00 0.00 O ATOM 651 CB THR B 6 20.327 0.756 4.879 1.00 0.00 C ATOM 652 OG1 THR B 6 19.547 -0.344 5.327 1.00 0.00 O ATOM 653 CG2 THR B 6 19.964 1.085 3.430 1.00 0.00 C ATOM 0 H THR B 6 22.260 0.446 7.054 1.00 0.00 H new ATOM 0 HA THR B 6 22.111 -0.288 4.170 1.00 0.00 H new ATOM 0 HB THR B 6 20.127 1.624 5.507 1.00 0.00 H new ATOM 0 HG1 THR B 6 18.613 -0.064 5.426 1.00 0.00 H new ATOM 0 HG21 THR B 6 18.907 1.343 3.369 1.00 0.00 H new ATOM 0 HG22 THR B 6 20.563 1.928 3.087 1.00 0.00 H new ATOM 0 HG23 THR B 6 20.163 0.219 2.799 1.00 0.00 H new ATOM 661 N LEU B 7 22.897 2.104 3.626 1.00 0.00 N ATOM 662 CA LEU B 7 23.736 3.322 3.430 1.00 0.00 C ATOM 663 C LEU B 7 23.298 4.072 2.169 1.00 0.00 C ATOM 664 O LEU B 7 22.555 3.559 1.357 1.00 0.00 O ATOM 665 CB LEU B 7 25.163 2.796 3.273 1.00 0.00 C ATOM 666 CG LEU B 7 25.933 3.009 4.577 1.00 0.00 C ATOM 667 CD1 LEU B 7 27.179 2.122 4.586 1.00 0.00 C ATOM 668 CD2 LEU B 7 26.352 4.476 4.687 1.00 0.00 C ATOM 0 H LEU B 7 22.531 1.687 2.770 1.00 0.00 H new ATOM 0 HA LEU B 7 23.647 4.023 4.260 1.00 0.00 H new ATOM 0 HB2 LEU B 7 25.145 1.736 3.018 1.00 0.00 H new ATOM 0 HB3 LEU B 7 25.664 3.312 2.454 1.00 0.00 H new ATOM 0 HG LEU B 7 25.295 2.748 5.422 1.00 0.00 H new ATOM 0 HD11 LEU B 7 27.727 2.274 5.516 1.00 0.00 H new ATOM 0 HD12 LEU B 7 26.882 1.076 4.507 1.00 0.00 H new ATOM 0 HD13 LEU B 7 27.817 2.382 3.742 1.00 0.00 H new ATOM 0 HD21 LEU B 7 26.901 4.629 5.616 1.00 0.00 H new ATOM 0 HD22 LEU B 7 26.989 4.737 3.842 1.00 0.00 H new ATOM 0 HD23 LEU B 7 25.465 5.109 4.681 1.00 0.00 H new ATOM 680 N GLN B 8 23.754 5.283 2.000 1.00 0.00 N ATOM 681 CA GLN B 8 23.365 6.066 0.791 1.00 0.00 C ATOM 682 C GLN B 8 24.612 6.634 0.108 1.00 0.00 C ATOM 683 O GLN B 8 25.476 7.201 0.746 1.00 0.00 O ATOM 684 CB GLN B 8 22.479 7.195 1.318 1.00 0.00 C ATOM 685 CG GLN B 8 21.402 6.614 2.236 1.00 0.00 C ATOM 686 CD GLN B 8 20.027 7.117 1.792 1.00 0.00 C ATOM 687 OE1 GLN B 8 19.902 8.218 1.294 1.00 0.00 O ATOM 688 NE2 GLN B 8 18.982 6.351 1.952 1.00 0.00 N ATOM 0 H GLN B 8 24.379 5.765 2.646 1.00 0.00 H new ATOM 0 HA GLN B 8 22.848 5.456 0.051 1.00 0.00 H new ATOM 0 HB2 GLN B 8 23.083 7.921 1.863 1.00 0.00 H new ATOM 0 HB3 GLN B 8 22.015 7.726 0.486 1.00 0.00 H new ATOM 0 HG2 GLN B 8 21.430 5.525 2.204 1.00 0.00 H new ATOM 0 HG3 GLN B 8 21.592 6.907 3.268 1.00 0.00 H new ATOM 0 HE21 GLN B 8 19.087 5.427 2.370 1.00 0.00 H new ATOM 0 HE22 GLN B 8 18.061 6.677 1.659 1.00 0.00 H new ATOM 697 N ILE B 9 24.712 6.485 -1.185 1.00 0.00 N ATOM 698 CA ILE B 9 25.905 7.017 -1.905 1.00 0.00 C ATOM 699 C ILE B 9 25.479 8.058 -2.943 1.00 0.00 C ATOM 700 O ILE B 9 24.349 8.079 -3.388 1.00 0.00 O ATOM 701 CB ILE B 9 26.527 5.801 -2.592 1.00 0.00 C ATOM 702 CG1 ILE B 9 27.194 4.909 -1.543 1.00 0.00 C ATOM 703 CG2 ILE B 9 27.574 6.266 -3.605 1.00 0.00 C ATOM 704 CD1 ILE B 9 26.854 3.444 -1.825 1.00 0.00 C ATOM 0 H ILE B 9 24.021 6.019 -1.773 1.00 0.00 H new ATOM 0 HA ILE B 9 26.606 7.510 -1.232 1.00 0.00 H new ATOM 0 HB ILE B 9 25.749 5.238 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE B 9 28.274 5.053 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE B 9 26.854 5.186 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE B 9 28.017 5.399 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE B 9 27.100 6.902 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE B 9 28.353 6.830 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE B 9 27.330 2.810 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE B 9 25.773 3.307 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE B 9 27.216 3.171 -2.816 1.00 0.00 H new ATOM 716 N ARG B 10 26.377 8.923 -3.333 1.00 0.00 N ATOM 717 CA ARG B 10 26.023 9.962 -4.343 1.00 0.00 C ATOM 718 C ARG B 10 27.146 10.099 -5.375 1.00 0.00 C ATOM 719 O ARG B 10 28.059 10.884 -5.213 1.00 0.00 O ATOM 720 CB ARG B 10 25.870 11.256 -3.543 1.00 0.00 C ATOM 721 CG ARG B 10 25.736 12.438 -4.506 1.00 0.00 C ATOM 722 CD ARG B 10 24.873 13.526 -3.864 1.00 0.00 C ATOM 723 NE ARG B 10 25.184 14.765 -4.630 1.00 0.00 N ATOM 724 CZ ARG B 10 24.933 15.934 -4.109 1.00 0.00 C ATOM 725 NH1 ARG B 10 23.707 16.381 -4.067 1.00 0.00 N ATOM 726 NH2 ARG B 10 25.908 16.658 -3.630 1.00 0.00 N ATOM 0 H ARG B 10 27.339 8.955 -2.996 1.00 0.00 H new ATOM 0 HA ARG B 10 25.115 9.713 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG B 10 24.993 11.196 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG B 10 26.733 11.399 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG B 10 26.721 12.837 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG B 10 25.286 12.108 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG B 10 23.813 13.278 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG B 10 25.110 13.645 -2.807 1.00 0.00 H new ATOM 0 HE ARG B 10 25.593 14.699 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG B 10 22.945 15.816 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG B 10 23.511 17.295 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG B 10 26.866 16.309 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG B 10 25.712 17.572 -3.223 1.00 0.00 H new ATOM 740 N GLY B 11 27.085 9.342 -6.436 1.00 0.00 N ATOM 741 CA GLY B 11 28.148 9.430 -7.478 1.00 0.00 C ATOM 742 C GLY B 11 28.503 8.026 -7.968 1.00 0.00 C ATOM 743 O GLY B 11 29.163 7.268 -7.285 1.00 0.00 O ATOM 0 H GLY B 11 26.345 8.666 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY B 11 27.804 10.041 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY B 11 29.033 9.918 -7.069 1.00 0.00 H new ATOM 747 N ARG B 12 28.073 7.672 -9.149 1.00 0.00 N ATOM 748 CA ARG B 12 28.389 6.316 -9.682 1.00 0.00 C ATOM 749 C ARG B 12 29.855 5.970 -9.412 1.00 0.00 C ATOM 750 O ARG B 12 30.168 4.921 -8.885 1.00 0.00 O ATOM 751 CB ARG B 12 28.128 6.410 -11.185 1.00 0.00 C ATOM 752 CG ARG B 12 27.624 5.060 -11.701 1.00 0.00 C ATOM 753 CD ARG B 12 26.219 5.228 -12.282 1.00 0.00 C ATOM 754 NE ARG B 12 26.269 4.556 -13.610 1.00 0.00 N ATOM 755 CZ ARG B 12 25.538 5.002 -14.595 1.00 0.00 C ATOM 756 NH1 ARG B 12 24.256 4.762 -14.616 1.00 0.00 N ATOM 757 NH2 ARG B 12 26.090 5.688 -15.558 1.00 0.00 N ATOM 0 H ARG B 12 27.517 8.263 -9.767 1.00 0.00 H new ATOM 0 HA ARG B 12 27.788 5.537 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG B 12 27.392 7.187 -11.389 1.00 0.00 H new ATOM 0 HB3 ARG B 12 29.042 6.692 -11.707 1.00 0.00 H new ATOM 0 HG2 ARG B 12 28.301 4.675 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG B 12 27.609 4.331 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG B 12 25.468 4.772 -11.637 1.00 0.00 H new ATOM 0 HD3 ARG B 12 25.956 6.281 -12.382 1.00 0.00 H new ATOM 0 HE ARG B 12 26.875 3.747 -13.750 1.00 0.00 H new ATOM 0 HH11 ARG B 12 23.825 4.226 -13.863 1.00 0.00 H new ATOM 0 HH12 ARG B 12 23.684 5.110 -15.386 1.00 0.00 H new ATOM 0 HH21 ARG B 12 27.092 5.876 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG B 12 25.519 6.037 -16.328 1.00 0.00 H new ATOM 771 N GLU B 13 30.756 6.846 -9.767 1.00 0.00 N ATOM 772 CA GLU B 13 32.202 6.567 -9.528 1.00 0.00 C ATOM 773 C GLU B 13 32.396 5.956 -8.140 1.00 0.00 C ATOM 774 O GLU B 13 33.106 4.984 -7.971 1.00 0.00 O ATOM 775 CB GLU B 13 32.888 7.930 -9.616 1.00 0.00 C ATOM 776 CG GLU B 13 32.683 8.516 -11.014 1.00 0.00 C ATOM 777 CD GLU B 13 32.134 9.939 -10.896 1.00 0.00 C ATOM 778 OE1 GLU B 13 31.191 10.129 -10.147 1.00 0.00 O ATOM 779 OE2 GLU B 13 32.667 10.814 -11.558 1.00 0.00 O ATOM 0 H GLU B 13 30.554 7.742 -10.212 1.00 0.00 H new ATOM 0 HA GLU B 13 32.612 5.859 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU B 13 32.478 8.604 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU B 13 33.953 7.827 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU B 13 33.627 8.523 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU B 13 31.992 7.894 -11.583 1.00 0.00 H new ATOM 786 N ARG B 14 31.763 6.513 -7.144 1.00 0.00 N ATOM 787 CA ARG B 14 31.904 5.958 -5.769 1.00 0.00 C ATOM 788 C ARG B 14 30.982 4.750 -5.603 1.00 0.00 C ATOM 789 O ARG B 14 31.337 3.764 -4.986 1.00 0.00 O ATOM 790 CB ARG B 14 31.480 7.092 -4.835 1.00 0.00 C ATOM 791 CG ARG B 14 32.483 8.241 -4.941 1.00 0.00 C ATOM 792 CD ARG B 14 31.833 9.420 -5.668 1.00 0.00 C ATOM 793 NE ARG B 14 32.958 10.339 -5.994 1.00 0.00 N ATOM 794 CZ ARG B 14 32.994 10.942 -7.150 1.00 0.00 C ATOM 795 NH1 ARG B 14 31.896 11.416 -7.673 1.00 0.00 N ATOM 796 NH2 ARG B 14 34.128 11.071 -7.784 1.00 0.00 N ATOM 0 H ARG B 14 31.155 7.328 -7.223 1.00 0.00 H new ATOM 0 HA ARG B 14 32.919 5.621 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG B 14 30.482 7.441 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG B 14 31.430 6.732 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG B 14 32.808 8.547 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG B 14 33.372 7.913 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG B 14 31.317 9.092 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG B 14 31.091 9.912 -5.038 1.00 0.00 H new ATOM 0 HE ARG B 14 33.701 10.497 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG B 14 31.010 11.315 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG B 14 31.924 11.888 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG B 14 34.986 10.700 -7.375 1.00 0.00 H new ATOM 0 HH22 ARG B 14 34.156 11.543 -8.688 1.00 0.00 H new ATOM 810 N PHE B 15 29.802 4.814 -6.156 1.00 0.00 N ATOM 811 CA PHE B 15 28.863 3.665 -6.035 1.00 0.00 C ATOM 812 C PHE B 15 29.555 2.384 -6.505 1.00 0.00 C ATOM 813 O PHE B 15 29.523 1.369 -5.838 1.00 0.00 O ATOM 814 CB PHE B 15 27.688 4.008 -6.950 1.00 0.00 C ATOM 815 CG PHE B 15 26.591 2.989 -6.756 1.00 0.00 C ATOM 816 CD1 PHE B 15 25.788 3.035 -5.610 1.00 0.00 C ATOM 817 CD2 PHE B 15 26.378 1.998 -7.722 1.00 0.00 C ATOM 818 CE1 PHE B 15 24.773 2.088 -5.429 1.00 0.00 C ATOM 819 CE2 PHE B 15 25.362 1.052 -7.541 1.00 0.00 C ATOM 820 CZ PHE B 15 24.560 1.097 -6.394 1.00 0.00 C ATOM 0 H PHE B 15 29.449 5.611 -6.685 1.00 0.00 H new ATOM 0 HA PHE B 15 28.536 3.500 -5.008 1.00 0.00 H new ATOM 0 HB2 PHE B 15 27.316 5.007 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE B 15 28.013 4.016 -7.990 1.00 0.00 H new ATOM 0 HD1 PHE B 15 25.952 3.801 -4.866 1.00 0.00 H new ATOM 0 HD2 PHE B 15 26.997 1.963 -8.606 1.00 0.00 H new ATOM 0 HE1 PHE B 15 24.154 2.122 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE B 15 25.197 0.288 -8.286 1.00 0.00 H new ATOM 0 HZ PHE B 15 23.777 0.367 -6.254 1.00 0.00 H new ATOM 830 N GLU B 16 30.190 2.427 -7.645 1.00 0.00 N ATOM 831 CA GLU B 16 30.892 1.212 -8.145 1.00 0.00 C ATOM 832 C GLU B 16 31.692 0.582 -7.005 1.00 0.00 C ATOM 833 O GLU B 16 31.833 -0.622 -6.921 1.00 0.00 O ATOM 834 CB GLU B 16 31.825 1.715 -9.247 1.00 0.00 C ATOM 835 CG GLU B 16 31.030 1.916 -10.538 1.00 0.00 C ATOM 836 CD GLU B 16 31.239 0.712 -11.459 1.00 0.00 C ATOM 837 OE1 GLU B 16 30.745 -0.353 -11.130 1.00 0.00 O ATOM 838 OE2 GLU B 16 31.891 0.877 -12.477 1.00 0.00 O ATOM 0 H GLU B 16 30.253 3.247 -8.249 1.00 0.00 H new ATOM 0 HA GLU B 16 30.205 0.453 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU B 16 32.290 2.653 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU B 16 32.630 0.999 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU B 16 29.971 2.034 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU B 16 31.352 2.830 -11.038 1.00 0.00 H new ATOM 845 N GLN B 17 32.209 1.391 -6.120 1.00 0.00 N ATOM 846 CA GLN B 17 32.991 0.843 -4.976 1.00 0.00 C ATOM 847 C GLN B 17 32.051 0.115 -4.013 1.00 0.00 C ATOM 848 O GLN B 17 32.319 -0.990 -3.584 1.00 0.00 O ATOM 849 CB GLN B 17 33.614 2.064 -4.299 1.00 0.00 C ATOM 850 CG GLN B 17 34.467 2.832 -5.311 1.00 0.00 C ATOM 851 CD GLN B 17 35.776 2.079 -5.552 1.00 0.00 C ATOM 852 OE1 GLN B 17 36.109 1.166 -4.822 1.00 0.00 O ATOM 853 NE2 GLN B 17 36.539 2.424 -6.553 1.00 0.00 N ATOM 0 H GLN B 17 32.123 2.407 -6.140 1.00 0.00 H new ATOM 0 HA GLN B 17 33.750 0.127 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN B 17 32.832 2.711 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN B 17 34.228 1.751 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN B 17 33.923 2.946 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN B 17 34.676 3.835 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN B 17 36.260 3.190 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN B 17 37.414 1.928 -6.722 1.00 0.00 H new ATOM 862 N PHE B 18 30.945 0.723 -3.677 1.00 0.00 N ATOM 863 CA PHE B 18 29.984 0.062 -2.749 1.00 0.00 C ATOM 864 C PHE B 18 29.316 -1.123 -3.451 1.00 0.00 C ATOM 865 O PHE B 18 29.376 -2.244 -2.987 1.00 0.00 O ATOM 866 CB PHE B 18 28.953 1.137 -2.406 1.00 0.00 C ATOM 867 CG PHE B 18 29.642 2.305 -1.745 1.00 0.00 C ATOM 868 CD1 PHE B 18 29.912 2.272 -0.372 1.00 0.00 C ATOM 869 CD2 PHE B 18 30.010 3.422 -2.504 1.00 0.00 C ATOM 870 CE1 PHE B 18 30.551 3.356 0.242 1.00 0.00 C ATOM 871 CE2 PHE B 18 30.649 4.506 -1.891 1.00 0.00 C ATOM 872 CZ PHE B 18 30.919 4.473 -0.517 1.00 0.00 C ATOM 0 H PHE B 18 30.666 1.648 -4.005 1.00 0.00 H new ATOM 0 HA PHE B 18 30.471 -0.327 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE B 18 28.442 1.467 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE B 18 28.192 0.727 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.627 1.410 0.214 1.00 0.00 H new ATOM 0 HD2 PHE B 18 29.801 3.447 -3.563 1.00 0.00 H new ATOM 0 HE1 PHE B 18 30.760 3.330 1.301 1.00 0.00 H new ATOM 0 HE2 PHE B 18 30.934 5.367 -2.477 1.00 0.00 H new ATOM 0 HZ PHE B 18 31.411 5.309 -0.043 1.00 0.00 H new ATOM 882 N ARG B 19 28.684 -0.885 -4.571 1.00 0.00 N ATOM 883 CA ARG B 19 28.023 -2.005 -5.300 1.00 0.00 C ATOM 884 C ARG B 19 28.950 -3.221 -5.323 1.00 0.00 C ATOM 885 O ARG B 19 28.650 -4.252 -4.755 1.00 0.00 O ATOM 886 CB ARG B 19 27.789 -1.480 -6.716 1.00 0.00 C ATOM 887 CG ARG B 19 27.143 -2.576 -7.567 1.00 0.00 C ATOM 888 CD ARG B 19 25.659 -2.691 -7.212 1.00 0.00 C ATOM 889 NE ARG B 19 25.203 -3.945 -7.873 1.00 0.00 N ATOM 890 CZ ARG B 19 24.259 -4.664 -7.330 1.00 0.00 C ATOM 891 NH1 ARG B 19 24.274 -4.899 -6.047 1.00 0.00 N ATOM 892 NH2 ARG B 19 23.300 -5.149 -8.071 1.00 0.00 N ATOM 0 H ARG B 19 28.598 0.032 -5.010 1.00 0.00 H new ATOM 0 HA ARG B 19 27.091 -2.317 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG B 19 27.146 -0.601 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG B 19 28.734 -1.169 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG B 19 27.257 -2.344 -8.626 1.00 0.00 H new ATOM 0 HG3 ARG B 19 27.644 -3.528 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG B 19 25.513 -2.738 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG B 19 25.099 -1.828 -7.572 1.00 0.00 H new ATOM 0 HE ARG B 19 25.629 -4.242 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG B 19 25.024 -4.521 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG B 19 23.536 -5.461 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG B 19 23.289 -4.966 -9.074 1.00 0.00 H new ATOM 0 HH22 ARG B 19 22.562 -5.711 -7.647 1.00 0.00 H new ATOM 906 N GLU B 20 30.082 -3.104 -5.962 1.00 0.00 N ATOM 907 CA GLU B 20 31.030 -4.252 -6.002 1.00 0.00 C ATOM 908 C GLU B 20 31.208 -4.806 -4.588 1.00 0.00 C ATOM 909 O GLU B 20 31.197 -6.002 -4.371 1.00 0.00 O ATOM 910 CB GLU B 20 32.344 -3.667 -6.522 1.00 0.00 C ATOM 911 CG GLU B 20 33.394 -4.775 -6.620 1.00 0.00 C ATOM 912 CD GLU B 20 34.667 -4.217 -7.260 1.00 0.00 C ATOM 913 OE1 GLU B 20 35.309 -3.392 -6.633 1.00 0.00 O ATOM 914 OE2 GLU B 20 34.977 -4.625 -8.367 1.00 0.00 O ATOM 0 H GLU B 20 30.390 -2.266 -6.456 1.00 0.00 H new ATOM 0 HA GLU B 20 30.680 -5.069 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU B 20 32.189 -3.211 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU B 20 32.693 -2.879 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU B 20 33.616 -5.169 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU B 20 33.009 -5.604 -7.214 1.00 0.00 H new ATOM 921 N ARG B 21 31.357 -3.940 -3.623 1.00 0.00 N ATOM 922 CA ARG B 21 31.520 -4.410 -2.219 1.00 0.00 C ATOM 923 C ARG B 21 30.269 -5.180 -1.791 1.00 0.00 C ATOM 924 O ARG B 21 30.344 -6.162 -1.080 1.00 0.00 O ATOM 925 CB ARG B 21 31.679 -3.135 -1.390 1.00 0.00 C ATOM 926 CG ARG B 21 32.097 -3.498 0.036 1.00 0.00 C ATOM 927 CD ARG B 21 33.507 -2.968 0.305 1.00 0.00 C ATOM 928 NE ARG B 21 34.296 -4.162 0.714 1.00 0.00 N ATOM 929 CZ ARG B 21 35.600 -4.112 0.717 1.00 0.00 C ATOM 930 NH1 ARG B 21 36.236 -3.609 -0.304 1.00 0.00 N ATOM 931 NH2 ARG B 21 36.267 -4.566 1.743 1.00 0.00 N ATOM 0 H ARG B 21 31.373 -2.928 -3.747 1.00 0.00 H new ATOM 0 HA ARG B 21 32.372 -5.079 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG B 21 32.427 -2.485 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG B 21 30.741 -2.580 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG B 21 31.394 -3.072 0.752 1.00 0.00 H new ATOM 0 HG3 ARG B 21 32.072 -4.579 0.170 1.00 0.00 H new ATOM 0 HD2 ARG B 21 33.930 -2.502 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG B 21 33.501 -2.211 1.089 1.00 0.00 H new ATOM 0 HE ARG B 21 33.818 -5.019 0.992 1.00 0.00 H new ATOM 0 HH11 ARG B 21 35.714 -3.254 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG B 21 37.255 -3.570 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG B 21 35.769 -4.959 2.541 1.00 0.00 H new ATOM 0 HH22 ARG B 21 37.286 -4.527 1.746 1.00 0.00 H new ATOM 945 N ASN B 22 29.118 -4.744 -2.230 1.00 0.00 N ATOM 946 CA ASN B 22 27.863 -5.456 -1.860 1.00 0.00 C ATOM 947 C ASN B 22 27.980 -6.931 -2.243 1.00 0.00 C ATOM 948 O ASN B 22 27.888 -7.809 -1.407 1.00 0.00 O ATOM 949 CB ASN B 22 26.762 -4.774 -2.673 1.00 0.00 C ATOM 950 CG ASN B 22 25.395 -5.146 -2.096 1.00 0.00 C ATOM 951 OD1 ASN B 22 24.532 -5.621 -2.807 1.00 0.00 O ATOM 952 ND2 ASN B 22 25.161 -4.949 -0.827 1.00 0.00 N ATOM 0 H ASN B 22 28.994 -3.927 -2.828 1.00 0.00 H new ATOM 0 HA ASN B 22 27.656 -5.413 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN B 22 26.896 -3.692 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN B 22 26.823 -5.081 -3.717 1.00 0.00 H new ATOM 0 HD21 ASN B 22 24.253 -5.194 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN B 22 25.886 -4.550 -0.231 1.00 0.00 H new ATOM 959 N GLU B 23 28.194 -7.212 -3.499 1.00 0.00 N ATOM 960 CA GLU B 23 28.331 -8.631 -3.927 1.00 0.00 C ATOM 961 C GLU B 23 29.329 -9.341 -3.011 1.00 0.00 C ATOM 962 O GLU B 23 29.133 -10.475 -2.621 1.00 0.00 O ATOM 963 CB GLU B 23 28.862 -8.570 -5.359 1.00 0.00 C ATOM 964 CG GLU B 23 28.880 -9.978 -5.958 1.00 0.00 C ATOM 965 CD GLU B 23 29.712 -9.977 -7.242 1.00 0.00 C ATOM 966 OE1 GLU B 23 30.918 -10.132 -7.143 1.00 0.00 O ATOM 967 OE2 GLU B 23 29.128 -9.822 -8.302 1.00 0.00 O ATOM 0 H GLU B 23 28.280 -6.522 -4.245 1.00 0.00 H new ATOM 0 HA GLU B 23 27.390 -9.179 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU B 23 28.235 -7.915 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU B 23 29.866 -8.147 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU B 23 29.299 -10.684 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU B 23 27.863 -10.307 -6.172 1.00 0.00 H new ATOM 974 N ALA B 24 30.394 -8.674 -2.656 1.00 0.00 N ATOM 975 CA ALA B 24 31.399 -9.302 -1.755 1.00 0.00 C ATOM 976 C ALA B 24 30.718 -9.741 -0.458 1.00 0.00 C ATOM 977 O ALA B 24 30.898 -10.849 0.006 1.00 0.00 O ATOM 978 CB ALA B 24 32.427 -8.204 -1.480 1.00 0.00 C ATOM 0 H ALA B 24 30.610 -7.722 -2.951 1.00 0.00 H new ATOM 0 HA ALA B 24 31.863 -10.186 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA B 24 33.204 -8.590 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA B 24 32.876 -7.882 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA B 24 31.935 -7.356 -1.004 1.00 0.00 H new ATOM 984 N LEU B 25 29.924 -8.882 0.124 1.00 0.00 N ATOM 985 CA LEU B 25 29.220 -9.257 1.382 1.00 0.00 C ATOM 986 C LEU B 25 28.499 -10.592 1.184 1.00 0.00 C ATOM 987 O LEU B 25 28.538 -11.462 2.031 1.00 0.00 O ATOM 988 CB LEU B 25 28.217 -8.127 1.628 1.00 0.00 C ATOM 989 CG LEU B 25 27.135 -8.600 2.601 1.00 0.00 C ATOM 990 CD1 LEU B 25 26.766 -7.460 3.551 1.00 0.00 C ATOM 991 CD2 LEU B 25 25.894 -9.027 1.814 1.00 0.00 C ATOM 0 H LEU B 25 29.734 -7.940 -0.217 1.00 0.00 H new ATOM 0 HA LEU B 25 29.899 -9.379 2.226 1.00 0.00 H new ATOM 0 HB2 LEU B 25 28.729 -7.255 2.035 1.00 0.00 H new ATOM 0 HB3 LEU B 25 27.763 -7.819 0.686 1.00 0.00 H new ATOM 0 HG LEU B 25 27.511 -9.445 3.177 1.00 0.00 H new ATOM 0 HD11 LEU B 25 25.995 -7.798 4.243 1.00 0.00 H new ATOM 0 HD12 LEU B 25 27.649 -7.154 4.112 1.00 0.00 H new ATOM 0 HD13 LEU B 25 26.391 -6.614 2.975 1.00 0.00 H new ATOM 0 HD21 LEU B 25 25.122 -9.364 2.506 1.00 0.00 H new ATOM 0 HD22 LEU B 25 25.520 -8.181 1.238 1.00 0.00 H new ATOM 0 HD23 LEU B 25 26.155 -9.840 1.137 1.00 0.00 H new ATOM 1003 N GLU B 26 27.850 -10.762 0.064 1.00 0.00 N ATOM 1004 CA GLU B 26 27.136 -12.043 -0.195 1.00 0.00 C ATOM 1005 C GLU B 26 28.112 -13.213 -0.053 1.00 0.00 C ATOM 1006 O GLU B 26 27.873 -14.149 0.684 1.00 0.00 O ATOM 1007 CB GLU B 26 26.633 -11.932 -1.635 1.00 0.00 C ATOM 1008 CG GLU B 26 25.117 -12.136 -1.664 1.00 0.00 C ATOM 1009 CD GLU B 26 24.649 -12.278 -3.113 1.00 0.00 C ATOM 1010 OE1 GLU B 26 24.513 -11.262 -3.774 1.00 0.00 O ATOM 1011 OE2 GLU B 26 24.434 -13.402 -3.538 1.00 0.00 O ATOM 0 H GLU B 26 27.784 -10.069 -0.682 1.00 0.00 H new ATOM 0 HA GLU B 26 26.319 -12.217 0.505 1.00 0.00 H new ATOM 0 HB2 GLU B 26 26.887 -10.955 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU B 26 27.123 -12.678 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU B 26 24.848 -13.026 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU B 26 24.617 -11.292 -1.190 1.00 0.00 H new ATOM 1018 N LEU B 27 29.216 -13.161 -0.748 1.00 0.00 N ATOM 1019 CA LEU B 27 30.213 -14.264 -0.646 1.00 0.00 C ATOM 1020 C LEU B 27 30.911 -14.206 0.715 1.00 0.00 C ATOM 1021 O LEU B 27 31.245 -15.219 1.297 1.00 0.00 O ATOM 1022 CB LEU B 27 31.211 -14.004 -1.775 1.00 0.00 C ATOM 1023 CG LEU B 27 30.835 -14.847 -2.995 1.00 0.00 C ATOM 1024 CD1 LEU B 27 29.714 -14.153 -3.771 1.00 0.00 C ATOM 1025 CD2 LEU B 27 32.057 -15.005 -3.902 1.00 0.00 C ATOM 0 H LEU B 27 29.470 -12.403 -1.381 1.00 0.00 H new ATOM 0 HA LEU B 27 29.756 -15.250 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU B 27 31.212 -12.946 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU B 27 32.220 -14.251 -1.446 1.00 0.00 H new ATOM 0 HG LEU B 27 30.495 -15.829 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU B 27 29.447 -14.754 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU B 27 28.842 -14.039 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU B 27 30.053 -13.171 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU B 27 31.790 -15.606 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU B 27 32.396 -14.022 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU B 27 32.857 -15.500 -3.351 1.00 0.00 H new ATOM 1037 N LYS B 28 31.128 -13.025 1.229 1.00 0.00 N ATOM 1038 CA LYS B 28 31.797 -12.899 2.555 1.00 0.00 C ATOM 1039 C LYS B 28 30.983 -13.635 3.621 1.00 0.00 C ATOM 1040 O LYS B 28 31.524 -14.213 4.542 1.00 0.00 O ATOM 1041 CB LYS B 28 31.826 -11.396 2.840 1.00 0.00 C ATOM 1042 CG LYS B 28 32.218 -11.153 4.300 1.00 0.00 C ATOM 1043 CD LYS B 28 33.441 -12.003 4.653 1.00 0.00 C ATOM 1044 CE LYS B 28 34.663 -11.479 3.894 1.00 0.00 C ATOM 1045 NZ LYS B 28 35.828 -12.172 4.513 1.00 0.00 N ATOM 0 H LYS B 28 30.871 -12.142 0.787 1.00 0.00 H new ATOM 0 HA LYS B 28 32.797 -13.332 2.562 1.00 0.00 H new ATOM 0 HB2 LYS B 28 32.537 -10.904 2.176 1.00 0.00 H new ATOM 0 HB3 LYS B 28 30.848 -10.959 2.639 1.00 0.00 H new ATOM 0 HG2 LYS B 28 32.439 -10.097 4.457 1.00 0.00 H new ATOM 0 HG3 LYS B 28 31.386 -11.405 4.957 1.00 0.00 H new ATOM 0 HD2 LYS B 28 33.624 -11.968 5.727 1.00 0.00 H new ATOM 0 HD3 LYS B 28 33.259 -13.046 4.395 1.00 0.00 H new ATOM 0 HE2 LYS B 28 34.592 -11.701 2.829 1.00 0.00 H new ATOM 0 HE3 LYS B 28 34.752 -10.397 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 36.704 -11.864 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 35.875 -11.936 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 35.719 -13.200 4.402 1.00 0.00 H new ATOM 1059 N ASP B 29 29.683 -13.621 3.497 1.00 0.00 N ATOM 1060 CA ASP B 29 28.830 -14.322 4.498 1.00 0.00 C ATOM 1061 C ASP B 29 28.896 -15.835 4.274 1.00 0.00 C ATOM 1062 O ASP B 29 29.174 -16.596 5.180 1.00 0.00 O ATOM 1063 CB ASP B 29 27.414 -13.803 4.242 1.00 0.00 C ATOM 1064 CG ASP B 29 27.104 -12.662 5.212 1.00 0.00 C ATOM 1065 OD1 ASP B 29 27.116 -12.907 6.407 1.00 0.00 O ATOM 1066 OD2 ASP B 29 26.860 -11.562 4.743 1.00 0.00 O ATOM 0 H ASP B 29 29.175 -13.154 2.745 1.00 0.00 H new ATOM 0 HA ASP B 29 29.153 -14.136 5.522 1.00 0.00 H new ATOM 0 HB2 ASP B 29 27.324 -13.454 3.213 1.00 0.00 H new ATOM 0 HB3 ASP B 29 26.691 -14.609 4.370 1.00 0.00 H new ATOM 1071 N ALA B 30 28.643 -16.276 3.072 1.00 0.00 N ATOM 1072 CA ALA B 30 28.691 -17.738 2.788 1.00 0.00 C ATOM 1073 C ALA B 30 30.129 -18.252 2.900 1.00 0.00 C ATOM 1074 O ALA B 30 30.379 -19.441 2.863 1.00 0.00 O ATOM 1075 CB ALA B 30 28.182 -17.879 1.353 1.00 0.00 C ATOM 0 H ALA B 30 28.405 -15.687 2.274 1.00 0.00 H new ATOM 0 HA ALA B 30 28.092 -18.315 3.492 1.00 0.00 H new ATOM 0 HB1 ALA B 30 28.187 -18.931 1.067 1.00 0.00 H new ATOM 0 HB2 ALA B 30 27.166 -17.490 1.287 1.00 0.00 H new ATOM 0 HB3 ALA B 30 28.830 -17.317 0.680 1.00 0.00 H new ATOM 1081 N GLN B 31 31.078 -17.366 3.038 1.00 0.00 N ATOM 1082 CA GLN B 31 32.498 -17.806 3.153 1.00 0.00 C ATOM 1083 C GLN B 31 32.722 -18.529 4.484 1.00 0.00 C ATOM 1084 O GLN B 31 33.104 -19.681 4.519 1.00 0.00 O ATOM 1085 CB GLN B 31 33.319 -16.517 3.098 1.00 0.00 C ATOM 1086 CG GLN B 31 34.175 -16.511 1.830 1.00 0.00 C ATOM 1087 CD GLN B 31 35.566 -15.963 2.154 1.00 0.00 C ATOM 1088 OE1 GLN B 31 35.983 -15.968 3.295 1.00 0.00 O ATOM 1089 NE2 GLN B 31 36.306 -15.487 1.191 1.00 0.00 N ATOM 0 H GLN B 31 30.932 -16.357 3.076 1.00 0.00 H new ATOM 0 HA GLN B 31 32.779 -18.502 2.363 1.00 0.00 H new ATOM 0 HB2 GLN B 31 32.657 -15.651 3.107 1.00 0.00 H new ATOM 0 HB3 GLN B 31 33.955 -16.441 3.980 1.00 0.00 H new ATOM 0 HG2 GLN B 31 34.255 -17.521 1.428 1.00 0.00 H new ATOM 0 HG3 GLN B 31 33.702 -15.899 1.062 1.00 0.00 H new ATOM 0 HE21 GLN B 31 35.956 -15.483 0.233 1.00 0.00 H new ATOM 0 HE22 GLN B 31 37.235 -15.119 1.396 1.00 0.00 H new