USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=6 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 Set 1.1: A 8 GLN : amide:sc= 0 X(o=0.19,f=0.0089) USER MOD Set 1.2: B 6 THR OG1 : rot 8:sc= 0.193 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.41 K(o=-2.4,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.181) USER MOD Single : A 31 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc=-0.00437 X(o=-0.0044,f=0) USER MOD Single : B 22 ASN : amide:sc= -2.25 K(o=-2.3,f=-1.1) USER MOD Single : B 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.16) USER MOD Single : B 31 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 23.920 -12.129 -4.755 1.00 0.00 N ATOM 38 CA TYR A 4 24.566 -10.823 -5.076 1.00 0.00 C ATOM 39 C TYR A 4 23.823 -9.680 -4.379 1.00 0.00 C ATOM 40 O TYR A 4 22.609 -9.652 -4.332 1.00 0.00 O ATOM 41 CB TYR A 4 24.454 -10.687 -6.594 1.00 0.00 C ATOM 42 CG TYR A 4 25.800 -10.958 -7.225 1.00 0.00 C ATOM 43 CD1 TYR A 4 26.212 -12.275 -7.458 1.00 0.00 C ATOM 44 CD2 TYR A 4 26.635 -9.890 -7.577 1.00 0.00 C ATOM 45 CE1 TYR A 4 27.459 -12.526 -8.043 1.00 0.00 C ATOM 46 CE2 TYR A 4 27.882 -10.141 -8.162 1.00 0.00 C ATOM 47 CZ TYR A 4 28.294 -11.459 -8.395 1.00 0.00 C ATOM 48 OH TYR A 4 29.523 -11.706 -8.972 1.00 0.00 O ATOM 0 HA TYR A 4 25.602 -10.781 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.713 -11.387 -6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.113 -9.685 -6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 4 25.568 -13.098 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.317 -8.874 -7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 4 27.777 -13.542 -8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.526 -9.318 -8.434 1.00 0.00 H new ATOM 0 HH TYR A 4 29.975 -10.856 -9.155 1.00 0.00 H new ATOM 58 N PHE A 5 24.543 -8.736 -3.836 1.00 0.00 N ATOM 59 CA PHE A 5 23.878 -7.595 -3.143 1.00 0.00 C ATOM 60 C PHE A 5 24.250 -6.275 -3.824 1.00 0.00 C ATOM 61 O PHE A 5 25.283 -6.160 -4.451 1.00 0.00 O ATOM 62 CB PHE A 5 24.420 -7.634 -1.714 1.00 0.00 C ATOM 63 CG PHE A 5 24.231 -9.018 -1.142 1.00 0.00 C ATOM 64 CD1 PHE A 5 25.084 -10.058 -1.529 1.00 0.00 C ATOM 65 CD2 PHE A 5 23.201 -9.262 -0.225 1.00 0.00 C ATOM 66 CE1 PHE A 5 24.907 -11.342 -0.999 1.00 0.00 C ATOM 67 CE2 PHE A 5 23.025 -10.545 0.305 1.00 0.00 C ATOM 68 CZ PHE A 5 23.878 -11.586 -0.082 1.00 0.00 C ATOM 0 H PHE A 5 25.563 -8.705 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 5 22.791 -7.670 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 5 25.477 -7.367 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 5 23.902 -6.900 -1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 5 25.878 -9.870 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 5 22.542 -8.460 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 5 25.565 -12.145 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 5 22.231 -10.732 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 5 23.742 -12.576 0.327 1.00 0.00 H new ATOM 78 N THR A 6 23.416 -5.279 -3.705 1.00 0.00 N ATOM 79 CA THR A 6 23.725 -3.969 -4.347 1.00 0.00 C ATOM 80 C THR A 6 23.148 -2.822 -3.513 1.00 0.00 C ATOM 81 O THR A 6 22.202 -2.996 -2.771 1.00 0.00 O ATOM 82 CB THR A 6 23.049 -4.029 -5.718 1.00 0.00 C ATOM 83 OG1 THR A 6 23.807 -4.864 -6.582 1.00 0.00 O ATOM 84 CG2 THR A 6 22.967 -2.620 -6.310 1.00 0.00 C ATOM 0 H THR A 6 22.535 -5.315 -3.192 1.00 0.00 H new ATOM 0 HA THR A 6 24.797 -3.793 -4.430 1.00 0.00 H new ATOM 0 HB THR A 6 22.043 -4.435 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 6 23.374 -4.905 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 6 22.485 -2.663 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 6 22.385 -1.980 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 6 23.972 -2.212 -6.419 1.00 0.00 H new ATOM 92 N LEU A 7 23.710 -1.651 -3.631 1.00 0.00 N ATOM 93 CA LEU A 7 23.193 -0.493 -2.847 1.00 0.00 C ATOM 94 C LEU A 7 23.207 0.775 -3.704 1.00 0.00 C ATOM 95 O LEU A 7 24.040 0.939 -4.574 1.00 0.00 O ATOM 96 CB LEU A 7 24.153 -0.352 -1.665 1.00 0.00 C ATOM 97 CG LEU A 7 23.387 0.158 -0.443 1.00 0.00 C ATOM 98 CD1 LEU A 7 23.858 -0.589 0.806 1.00 0.00 C ATOM 99 CD2 LEU A 7 23.647 1.656 -0.269 1.00 0.00 C ATOM 0 H LEU A 7 24.505 -1.445 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 7 22.164 -0.644 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.616 -1.313 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.958 0.338 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 7 22.320 -0.013 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.311 -0.225 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.674 -1.656 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 7 24.925 -0.419 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 7 23.102 2.021 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 7 24.714 1.826 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 7 23.310 2.189 -1.158 1.00 0.00 H new ATOM 111 N GLN A 8 22.292 1.673 -3.465 1.00 0.00 N ATOM 112 CA GLN A 8 22.253 2.931 -4.266 1.00 0.00 C ATOM 113 C GLN A 8 22.244 4.147 -3.336 1.00 0.00 C ATOM 114 O GLN A 8 21.503 4.200 -2.375 1.00 0.00 O ATOM 115 CB GLN A 8 20.951 2.853 -5.063 1.00 0.00 C ATOM 116 CG GLN A 8 20.826 1.467 -5.699 1.00 0.00 C ATOM 117 CD GLN A 8 19.651 1.458 -6.678 1.00 0.00 C ATOM 118 OE1 GLN A 8 19.802 1.813 -7.830 1.00 0.00 O ATOM 119 NE2 GLN A 8 18.477 1.064 -6.266 1.00 0.00 N ATOM 0 H GLN A 8 21.569 1.591 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 8 23.121 3.035 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 8 20.100 3.043 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 8 20.938 3.622 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.749 1.210 -6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.675 0.713 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.350 0.766 -5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.687 1.054 -6.911 1.00 0.00 H new ATOM 128 N ILE A 9 23.065 5.123 -3.612 1.00 0.00 N ATOM 129 CA ILE A 9 23.103 6.332 -2.740 1.00 0.00 C ATOM 130 C ILE A 9 22.918 7.599 -3.579 1.00 0.00 C ATOM 131 O ILE A 9 23.143 7.604 -4.773 1.00 0.00 O ATOM 132 CB ILE A 9 24.491 6.311 -2.098 1.00 0.00 C ATOM 133 CG1 ILE A 9 24.743 4.936 -1.477 1.00 0.00 C ATOM 134 CG2 ILE A 9 24.567 7.382 -1.009 1.00 0.00 C ATOM 135 CD1 ILE A 9 25.592 4.093 -2.431 1.00 0.00 C ATOM 0 H ILE A 9 23.710 5.136 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 9 22.308 6.329 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 9 25.246 6.512 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 9 25.253 5.045 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.795 4.436 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 9 25.556 7.367 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 9 24.386 8.362 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 9 23.813 7.181 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 9 25.772 3.113 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 9 25.065 3.973 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 9 26.545 4.592 -2.607 1.00 0.00 H new ATOM 147 N ARG A 10 22.511 8.675 -2.962 1.00 0.00 N ATOM 148 CA ARG A 10 22.313 9.942 -3.722 1.00 0.00 C ATOM 149 C ARG A 10 23.297 11.008 -3.233 1.00 0.00 C ATOM 150 O ARG A 10 22.969 12.174 -3.140 1.00 0.00 O ATOM 151 CB ARG A 10 20.874 10.363 -3.422 1.00 0.00 C ATOM 152 CG ARG A 10 20.708 10.580 -1.917 1.00 0.00 C ATOM 153 CD ARG A 10 19.703 9.568 -1.362 1.00 0.00 C ATOM 154 NE ARG A 10 19.549 9.929 0.074 1.00 0.00 N ATOM 155 CZ ARG A 10 18.358 10.037 0.595 1.00 0.00 C ATOM 156 NH1 ARG A 10 17.695 8.967 0.938 1.00 0.00 N ATOM 157 NH2 ARG A 10 17.828 11.217 0.773 1.00 0.00 N ATOM 0 H ARG A 10 22.307 8.731 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 10 22.486 9.815 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 10 20.632 11.279 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.180 9.597 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 10 21.669 10.467 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.363 11.595 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.751 9.628 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.067 8.547 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 10 20.375 10.092 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.108 8.045 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.764 9.053 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.345 12.054 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.897 11.302 1.180 1.00 0.00 H new ATOM 171 N GLY A 11 24.502 10.616 -2.919 1.00 0.00 N ATOM 172 CA GLY A 11 25.506 11.606 -2.436 1.00 0.00 C ATOM 173 C GLY A 11 26.915 11.057 -2.664 1.00 0.00 C ATOM 174 O GLY A 11 27.168 9.880 -2.502 1.00 0.00 O ATOM 0 H GLY A 11 24.834 9.653 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.383 12.552 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 11 25.351 11.810 -1.377 1.00 0.00 H new ATOM 178 N ARG A 12 27.836 11.902 -3.040 1.00 0.00 N ATOM 179 CA ARG A 12 29.230 11.429 -3.280 1.00 0.00 C ATOM 180 C ARG A 12 29.991 11.328 -1.955 1.00 0.00 C ATOM 181 O ARG A 12 30.868 10.503 -1.794 1.00 0.00 O ATOM 182 CB ARG A 12 29.858 12.495 -4.178 1.00 0.00 C ATOM 183 CG ARG A 12 31.152 11.952 -4.788 1.00 0.00 C ATOM 184 CD ARG A 12 31.731 12.985 -5.756 1.00 0.00 C ATOM 185 NE ARG A 12 32.833 12.275 -6.463 1.00 0.00 N ATOM 186 CZ ARG A 12 33.623 12.933 -7.267 1.00 0.00 C ATOM 187 NH1 ARG A 12 34.012 14.139 -6.956 1.00 0.00 N ATOM 188 NH2 ARG A 12 34.023 12.386 -8.382 1.00 0.00 N ATOM 0 H ARG A 12 27.684 12.899 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 12 29.258 10.440 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 12 29.161 12.777 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 12 30.066 13.396 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 12 31.873 11.731 -4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 12 30.955 11.017 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 12 30.974 13.337 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 12 32.103 13.860 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 12 32.970 11.275 -6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 12 33.699 14.567 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 12 34.629 14.654 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 12 33.718 11.444 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 12 34.640 12.901 -9.010 1.00 0.00 H new ATOM 202 N GLU A 13 29.665 12.163 -1.008 1.00 0.00 N ATOM 203 CA GLU A 13 30.374 12.116 0.303 1.00 0.00 C ATOM 204 C GLU A 13 30.095 10.787 1.013 1.00 0.00 C ATOM 205 O GLU A 13 30.951 10.236 1.676 1.00 0.00 O ATOM 206 CB GLU A 13 29.799 13.284 1.106 1.00 0.00 C ATOM 207 CG GLU A 13 30.789 14.451 1.089 1.00 0.00 C ATOM 208 CD GLU A 13 32.025 14.085 1.914 1.00 0.00 C ATOM 209 OE1 GLU A 13 31.867 13.388 2.903 1.00 0.00 O ATOM 210 OE2 GLU A 13 33.107 14.508 1.544 1.00 0.00 O ATOM 0 H GLU A 13 28.939 12.876 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 13 31.455 12.192 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 13 28.845 13.596 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 13 29.605 12.973 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 13 31.078 14.681 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 13 30.319 15.346 1.496 1.00 0.00 H new ATOM 217 N ARG A 14 28.906 10.264 0.875 1.00 0.00 N ATOM 218 CA ARG A 14 28.580 8.971 1.537 1.00 0.00 C ATOM 219 C ARG A 14 29.070 7.814 0.668 1.00 0.00 C ATOM 220 O ARG A 14 29.668 6.866 1.144 1.00 0.00 O ATOM 221 CB ARG A 14 27.054 8.954 1.648 1.00 0.00 C ATOM 222 CG ARG A 14 26.560 10.318 2.137 1.00 0.00 C ATOM 223 CD ARG A 14 25.690 10.964 1.056 1.00 0.00 C ATOM 224 NE ARG A 14 24.517 11.519 1.788 1.00 0.00 N ATOM 225 CZ ARG A 14 23.666 12.290 1.168 1.00 0.00 C ATOM 226 NH1 ARG A 14 24.097 13.238 0.380 1.00 0.00 N ATOM 227 NH2 ARG A 14 22.384 12.115 1.337 1.00 0.00 N ATOM 0 H ARG A 14 28.148 10.677 0.332 1.00 0.00 H new ATOM 0 HA ARG A 14 29.055 8.867 2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 14 26.611 8.721 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.738 8.172 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.988 10.201 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 14 27.408 10.962 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.233 11.748 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.380 10.233 0.309 1.00 0.00 H new ATOM 0 HE ARG A 14 24.379 11.296 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.099 13.376 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.432 13.840 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.047 11.376 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.719 12.718 0.852 1.00 0.00 H new ATOM 241 N PHE A 15 28.819 7.886 -0.610 1.00 0.00 N ATOM 242 CA PHE A 15 29.266 6.794 -1.513 1.00 0.00 C ATOM 243 C PHE A 15 30.790 6.671 -1.472 1.00 0.00 C ATOM 244 O PHE A 15 31.331 5.597 -1.300 1.00 0.00 O ATOM 245 CB PHE A 15 28.796 7.202 -2.908 1.00 0.00 C ATOM 246 CG PHE A 15 29.356 6.235 -3.924 1.00 0.00 C ATOM 247 CD1 PHE A 15 28.945 4.897 -3.915 1.00 0.00 C ATOM 248 CD2 PHE A 15 30.290 6.675 -4.869 1.00 0.00 C ATOM 249 CE1 PHE A 15 29.469 3.998 -4.852 1.00 0.00 C ATOM 250 CE2 PHE A 15 30.812 5.776 -5.807 1.00 0.00 C ATOM 251 CZ PHE A 15 30.402 4.437 -5.798 1.00 0.00 C ATOM 0 H PHE A 15 28.324 8.653 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 15 28.859 5.826 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 15 27.707 7.204 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 15 29.126 8.216 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 15 28.224 4.558 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 15 30.608 7.707 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 15 29.153 2.965 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 15 31.531 6.115 -6.538 1.00 0.00 H new ATOM 0 HZ PHE A 15 30.806 3.743 -6.521 1.00 0.00 H new ATOM 261 N GLU A 16 31.486 7.766 -1.624 1.00 0.00 N ATOM 262 CA GLU A 16 32.974 7.711 -1.587 1.00 0.00 C ATOM 263 C GLU A 16 33.430 6.804 -0.443 1.00 0.00 C ATOM 264 O GLU A 16 34.368 6.043 -0.574 1.00 0.00 O ATOM 265 CB GLU A 16 33.419 9.153 -1.343 1.00 0.00 C ATOM 266 CG GLU A 16 33.751 9.818 -2.680 1.00 0.00 C ATOM 267 CD GLU A 16 35.183 9.465 -3.084 1.00 0.00 C ATOM 268 OE1 GLU A 16 35.394 8.349 -3.529 1.00 0.00 O ATOM 269 OE2 GLU A 16 36.045 10.316 -2.940 1.00 0.00 O ATOM 0 H GLU A 16 31.088 8.694 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 16 33.400 7.308 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.630 9.707 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.291 9.170 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 16 33.053 9.484 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.641 10.899 -2.598 1.00 0.00 H new ATOM 276 N GLN A 17 32.766 6.876 0.679 1.00 0.00 N ATOM 277 CA GLN A 17 33.152 6.014 1.831 1.00 0.00 C ATOM 278 C GLN A 17 32.861 4.548 1.502 1.00 0.00 C ATOM 279 O GLN A 17 33.676 3.677 1.730 1.00 0.00 O ATOM 280 CB GLN A 17 32.279 6.489 2.993 1.00 0.00 C ATOM 281 CG GLN A 17 32.516 7.981 3.235 1.00 0.00 C ATOM 282 CD GLN A 17 33.423 8.164 4.453 1.00 0.00 C ATOM 283 OE1 GLN A 17 34.564 8.561 4.321 1.00 0.00 O ATOM 284 NE2 GLN A 17 32.962 7.890 5.642 1.00 0.00 N ATOM 0 H GLN A 17 31.973 7.495 0.847 1.00 0.00 H new ATOM 0 HA GLN A 17 34.213 6.085 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 17 31.228 6.309 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 17 32.514 5.922 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 17 32.974 8.434 2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 17 31.565 8.489 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 17 32.004 7.557 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.559 8.009 6.460 1.00 0.00 H new ATOM 293 N PHE A 18 31.704 4.270 0.962 1.00 0.00 N ATOM 294 CA PHE A 18 31.366 2.859 0.616 1.00 0.00 C ATOM 295 C PHE A 18 32.315 2.340 -0.469 1.00 0.00 C ATOM 296 O PHE A 18 32.913 1.292 -0.331 1.00 0.00 O ATOM 297 CB PHE A 18 29.923 2.910 0.109 1.00 0.00 C ATOM 298 CG PHE A 18 28.994 3.300 1.242 1.00 0.00 C ATOM 299 CD1 PHE A 18 29.491 3.464 2.545 1.00 0.00 C ATOM 300 CD2 PHE A 18 27.631 3.497 0.989 1.00 0.00 C ATOM 301 CE1 PHE A 18 28.629 3.825 3.585 1.00 0.00 C ATOM 302 CE2 PHE A 18 26.769 3.858 2.032 1.00 0.00 C ATOM 303 CZ PHE A 18 27.269 4.022 3.330 1.00 0.00 C ATOM 0 H PHE A 18 30.981 4.956 0.746 1.00 0.00 H new ATOM 0 HA PHE A 18 31.468 2.185 1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.839 3.629 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.634 1.939 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.541 3.311 2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.244 3.370 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.014 3.952 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 18 25.718 4.010 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 18 26.604 4.301 4.134 1.00 0.00 H new ATOM 313 N ARG A 19 32.467 3.067 -1.543 1.00 0.00 N ATOM 314 CA ARG A 19 33.389 2.609 -2.621 1.00 0.00 C ATOM 315 C ARG A 19 34.719 2.158 -2.007 1.00 0.00 C ATOM 316 O ARG A 19 35.094 1.001 -2.082 1.00 0.00 O ATOM 317 CB ARG A 19 33.594 3.835 -3.512 1.00 0.00 C ATOM 318 CG ARG A 19 34.403 3.441 -4.749 1.00 0.00 C ATOM 319 CD ARG A 19 35.275 4.621 -5.187 1.00 0.00 C ATOM 320 NE ARG A 19 36.234 4.044 -6.169 1.00 0.00 N ATOM 321 CZ ARG A 19 37.489 3.893 -5.844 1.00 0.00 C ATOM 322 NH1 ARG A 19 37.821 3.063 -4.893 1.00 0.00 N ATOM 323 NH2 ARG A 19 38.412 4.571 -6.469 1.00 0.00 N ATOM 0 H ARG A 19 31.995 3.954 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 19 32.991 1.764 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.629 4.245 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 19 34.114 4.616 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 19 35.028 2.576 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 19 33.732 3.151 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.674 5.410 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 19 35.797 5.063 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 19 35.910 3.767 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 19 37.100 2.533 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 19 38.802 2.945 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 19 38.153 5.220 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 19 39.393 4.452 -6.214 1.00 0.00 H new ATOM 337 N GLU A 20 35.431 3.061 -1.389 1.00 0.00 N ATOM 338 CA GLU A 20 36.727 2.680 -0.761 1.00 0.00 C ATOM 339 C GLU A 20 36.531 1.429 0.097 1.00 0.00 C ATOM 340 O GLU A 20 37.335 0.517 0.080 1.00 0.00 O ATOM 341 CB GLU A 20 37.114 3.876 0.110 1.00 0.00 C ATOM 342 CG GLU A 20 38.470 3.612 0.766 1.00 0.00 C ATOM 343 CD GLU A 20 38.723 4.656 1.855 1.00 0.00 C ATOM 344 OE1 GLU A 20 37.755 5.186 2.375 1.00 0.00 O ATOM 345 OE2 GLU A 20 39.879 4.908 2.150 1.00 0.00 O ATOM 0 H GLU A 20 35.172 4.043 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 20 37.499 2.452 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 20 37.161 4.781 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 20 36.355 4.044 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 20 38.489 2.611 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 20 39.262 3.652 0.018 1.00 0.00 H new ATOM 352 N ARG A 21 35.460 1.377 0.842 1.00 0.00 N ATOM 353 CA ARG A 21 35.205 0.182 1.694 1.00 0.00 C ATOM 354 C ARG A 21 35.001 -1.049 0.808 1.00 0.00 C ATOM 355 O ARG A 21 35.545 -2.104 1.065 1.00 0.00 O ATOM 356 CB ARG A 21 33.929 0.509 2.470 1.00 0.00 C ATOM 357 CG ARG A 21 34.268 0.700 3.950 1.00 0.00 C ATOM 358 CD ARG A 21 33.780 2.074 4.414 1.00 0.00 C ATOM 359 NE ARG A 21 34.432 2.287 5.736 1.00 0.00 N ATOM 360 CZ ARG A 21 34.079 3.296 6.483 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.539 4.353 5.940 1.00 0.00 N ATOM 362 NH2 ARG A 21 34.265 3.249 7.774 1.00 0.00 N ATOM 0 H ARG A 21 34.752 2.109 0.897 1.00 0.00 H new ATOM 0 HA ARG A 21 36.035 -0.039 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.470 1.414 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 21 33.203 -0.295 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.799 -0.084 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.344 0.615 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.061 2.853 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.694 2.099 4.501 1.00 0.00 H new ATOM 0 HE ARG A 21 35.155 1.643 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.393 4.390 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.263 5.142 6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 21 34.687 2.423 8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.989 4.038 8.358 1.00 0.00 H new ATOM 376 N ASN A 22 34.229 -0.920 -0.240 1.00 0.00 N ATOM 377 CA ASN A 22 34.007 -2.085 -1.143 1.00 0.00 C ATOM 378 C ASN A 22 35.340 -2.786 -1.399 1.00 0.00 C ATOM 379 O ASN A 22 35.450 -3.992 -1.306 1.00 0.00 O ATOM 380 CB ASN A 22 33.453 -1.493 -2.439 1.00 0.00 C ATOM 381 CG ASN A 22 33.373 -2.586 -3.506 1.00 0.00 C ATOM 382 OD1 ASN A 22 33.407 -2.302 -4.687 1.00 0.00 O ATOM 383 ND2 ASN A 22 33.267 -3.834 -3.138 1.00 0.00 N ATOM 0 H ASN A 22 33.746 -0.063 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 22 33.324 -2.821 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 22 32.465 -1.068 -2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 22 34.093 -0.680 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 22 33.213 -4.570 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 22 33.238 -4.073 -2.147 1.00 0.00 H new ATOM 390 N GLU A 23 36.360 -2.033 -1.709 1.00 0.00 N ATOM 391 CA GLU A 23 37.693 -2.655 -1.956 1.00 0.00 C ATOM 392 C GLU A 23 38.176 -3.353 -0.681 1.00 0.00 C ATOM 393 O GLU A 23 38.517 -4.522 -0.688 1.00 0.00 O ATOM 394 CB GLU A 23 38.615 -1.489 -2.315 1.00 0.00 C ATOM 395 CG GLU A 23 40.054 -1.995 -2.443 1.00 0.00 C ATOM 396 CD GLU A 23 40.466 -1.992 -3.916 1.00 0.00 C ATOM 397 OE1 GLU A 23 39.911 -2.776 -4.668 1.00 0.00 O ATOM 398 OE2 GLU A 23 41.331 -1.207 -4.267 1.00 0.00 O ATOM 0 H GLU A 23 36.329 -1.018 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 23 37.668 -3.405 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 23 38.294 -1.033 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 23 38.557 -0.716 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 40.726 -1.361 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 40.135 -3.002 -2.034 1.00 0.00 H new ATOM 405 N ALA A 24 38.198 -2.646 0.417 1.00 0.00 N ATOM 406 CA ALA A 24 38.648 -3.270 1.693 1.00 0.00 C ATOM 407 C ALA A 24 37.769 -4.481 2.010 1.00 0.00 C ATOM 408 O ALA A 24 38.254 -5.577 2.208 1.00 0.00 O ATOM 409 CB ALA A 24 38.471 -2.183 2.753 1.00 0.00 C ATOM 0 H ALA A 24 37.924 -1.666 0.485 1.00 0.00 H new ATOM 0 HA ALA A 24 39.679 -3.621 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 24 38.782 -2.568 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 24 39.081 -1.318 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 24 37.423 -1.887 2.799 1.00 0.00 H new ATOM 415 N LEU A 25 36.478 -4.293 2.050 1.00 0.00 N ATOM 416 CA LEU A 25 35.571 -5.438 2.343 1.00 0.00 C ATOM 417 C LEU A 25 35.920 -6.614 1.430 1.00 0.00 C ATOM 418 O LEU A 25 36.023 -7.743 1.867 1.00 0.00 O ATOM 419 CB LEU A 25 34.164 -4.921 2.040 1.00 0.00 C ATOM 420 CG LEU A 25 33.491 -4.485 3.342 1.00 0.00 C ATOM 421 CD1 LEU A 25 33.374 -5.684 4.283 1.00 0.00 C ATOM 422 CD2 LEU A 25 34.331 -3.393 4.008 1.00 0.00 C ATOM 0 H LEU A 25 36.014 -3.399 1.893 1.00 0.00 H new ATOM 0 HA LEU A 25 35.657 -5.788 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 25 34.215 -4.082 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 33.575 -5.700 1.556 1.00 0.00 H new ATOM 0 HG LEU A 25 32.496 -4.097 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 25 32.894 -5.373 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 32.776 -6.462 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 25 34.368 -6.073 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 25 33.852 -3.081 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 35.326 -3.781 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 25 34.414 -2.538 3.337 1.00 0.00 H new ATOM 434 N GLU A 26 36.113 -6.355 0.165 1.00 0.00 N ATOM 435 CA GLU A 26 36.467 -7.457 -0.771 1.00 0.00 C ATOM 436 C GLU A 26 37.599 -8.292 -0.173 1.00 0.00 C ATOM 437 O GLU A 26 37.548 -9.505 -0.154 1.00 0.00 O ATOM 438 CB GLU A 26 36.928 -6.760 -2.052 1.00 0.00 C ATOM 439 CG GLU A 26 36.493 -7.582 -3.267 1.00 0.00 C ATOM 440 CD GLU A 26 37.191 -8.943 -3.240 1.00 0.00 C ATOM 441 OE1 GLU A 26 38.389 -8.968 -3.013 1.00 0.00 O ATOM 442 OE2 GLU A 26 36.515 -9.938 -3.448 1.00 0.00 O ATOM 0 H GLU A 26 36.041 -5.430 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 26 35.632 -8.132 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 26 36.502 -5.758 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 26 38.012 -6.646 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 26 35.411 -7.716 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 26 36.742 -7.052 -4.186 1.00 0.00 H new ATOM 449 N LEU A 27 38.621 -7.648 0.324 1.00 0.00 N ATOM 450 CA LEU A 27 39.752 -8.407 0.931 1.00 0.00 C ATOM 451 C LEU A 27 39.328 -8.984 2.285 1.00 0.00 C ATOM 452 O LEU A 27 39.712 -10.076 2.653 1.00 0.00 O ATOM 453 CB LEU A 27 40.870 -7.380 1.112 1.00 0.00 C ATOM 454 CG LEU A 27 42.045 -8.029 1.846 1.00 0.00 C ATOM 455 CD1 LEU A 27 43.125 -8.420 0.836 1.00 0.00 C ATOM 456 CD2 LEU A 27 42.626 -7.036 2.855 1.00 0.00 C ATOM 0 H LEU A 27 38.721 -6.633 0.336 1.00 0.00 H new ATOM 0 HA LEU A 27 40.069 -9.245 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 27 41.196 -7.006 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 27 40.503 -6.523 1.677 1.00 0.00 H new ATOM 0 HG LEU A 27 41.699 -8.920 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 27 43.962 -8.882 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 27 42.712 -9.127 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 43.472 -7.530 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 43.463 -7.497 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 27 42.972 -6.145 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 27 41.857 -6.757 3.575 1.00 0.00 H new ATOM 468 N LYS A 28 38.535 -8.258 3.026 1.00 0.00 N ATOM 469 CA LYS A 28 38.082 -8.762 4.354 1.00 0.00 C ATOM 470 C LYS A 28 37.517 -10.179 4.216 1.00 0.00 C ATOM 471 O LYS A 28 37.945 -11.097 4.889 1.00 0.00 O ATOM 472 CB LYS A 28 36.988 -7.783 4.791 1.00 0.00 C ATOM 473 CG LYS A 28 36.128 -8.419 5.887 1.00 0.00 C ATOM 474 CD LYS A 28 37.032 -9.028 6.960 1.00 0.00 C ATOM 475 CE LYS A 28 36.458 -8.723 8.347 1.00 0.00 C ATOM 476 NZ LYS A 28 35.193 -9.511 8.435 1.00 0.00 N ATOM 0 H LYS A 28 38.181 -7.337 2.769 1.00 0.00 H new ATOM 0 HA LYS A 28 38.894 -8.816 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 37.438 -6.861 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 28 36.365 -7.515 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 28 35.474 -7.669 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.486 -9.188 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 37.110 -10.106 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 28 38.040 -8.622 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 37.156 -9.011 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 28 36.266 -7.657 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.881 -9.557 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.457 -9.052 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.358 -10.474 8.079 1.00 0.00 H new ATOM 490 N ASP A 29 36.560 -10.364 3.349 1.00 0.00 N ATOM 491 CA ASP A 29 35.968 -11.720 3.167 1.00 0.00 C ATOM 492 C ASP A 29 36.967 -12.644 2.465 1.00 0.00 C ATOM 493 O ASP A 29 37.001 -13.834 2.705 1.00 0.00 O ATOM 494 CB ASP A 29 34.736 -11.498 2.290 1.00 0.00 C ATOM 495 CG ASP A 29 33.484 -11.952 3.043 1.00 0.00 C ATOM 496 OD1 ASP A 29 33.540 -12.018 4.260 1.00 0.00 O ATOM 497 OD2 ASP A 29 32.491 -12.226 2.390 1.00 0.00 O ATOM 0 H ASP A 29 36.162 -9.634 2.758 1.00 0.00 H new ATOM 0 HA ASP A 29 35.714 -12.191 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 29 34.651 -10.444 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 29 34.835 -12.055 1.358 1.00 0.00 H new ATOM 502 N ALA A 30 37.781 -12.104 1.600 1.00 0.00 N ATOM 503 CA ALA A 30 38.777 -12.951 0.885 1.00 0.00 C ATOM 504 C ALA A 30 39.927 -13.322 1.826 1.00 0.00 C ATOM 505 O ALA A 30 40.853 -14.011 1.447 1.00 0.00 O ATOM 506 CB ALA A 30 39.285 -12.080 -0.265 1.00 0.00 C ATOM 0 H ALA A 30 37.799 -11.113 1.358 1.00 0.00 H new ATOM 0 HA ALA A 30 38.344 -13.886 0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.025 -12.634 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 30 38.451 -11.808 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 30 39.742 -11.176 0.138 1.00 0.00 H new ATOM 512 N GLN A 31 39.873 -12.871 3.049 1.00 0.00 N ATOM 513 CA GLN A 31 40.963 -13.199 4.013 1.00 0.00 C ATOM 514 C GLN A 31 40.395 -13.953 5.217 1.00 0.00 C ATOM 515 O GLN A 31 40.986 -14.894 5.708 1.00 0.00 O ATOM 516 CB GLN A 31 41.530 -11.846 4.446 1.00 0.00 C ATOM 517 CG GLN A 31 42.922 -11.658 3.840 1.00 0.00 C ATOM 518 CD GLN A 31 42.877 -11.981 2.345 1.00 0.00 C ATOM 519 OE1 GLN A 31 42.050 -11.460 1.624 1.00 0.00 O ATOM 520 NE2 GLN A 31 43.738 -12.826 1.847 1.00 0.00 N ATOM 0 H GLN A 31 39.123 -12.290 3.423 1.00 0.00 H new ATOM 0 HA GLN A 31 41.727 -13.838 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.869 -11.042 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.585 -11.794 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.260 -10.633 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 31 43.639 -12.308 4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.432 -13.263 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.717 -13.049 0.852 1.00 0.00 H new ATOM 606 N TYR B 4 23.796 10.720 -8.462 1.00 0.00 N ATOM 607 CA TYR B 4 23.428 9.493 -7.699 1.00 0.00 C ATOM 608 C TYR B 4 24.528 8.436 -7.831 1.00 0.00 C ATOM 609 O TYR B 4 25.085 8.236 -8.893 1.00 0.00 O ATOM 610 CB TYR B 4 22.131 8.999 -8.342 1.00 0.00 C ATOM 611 CG TYR B 4 20.965 9.324 -7.439 1.00 0.00 C ATOM 612 CD1 TYR B 4 20.394 10.602 -7.465 1.00 0.00 C ATOM 613 CD2 TYR B 4 20.455 8.346 -6.577 1.00 0.00 C ATOM 614 CE1 TYR B 4 19.313 10.902 -6.629 1.00 0.00 C ATOM 615 CE2 TYR B 4 19.374 8.647 -5.740 1.00 0.00 C ATOM 616 CZ TYR B 4 18.803 9.925 -5.766 1.00 0.00 C ATOM 617 OH TYR B 4 17.736 10.221 -4.942 1.00 0.00 O ATOM 0 HA TYR B 4 23.305 9.692 -6.634 1.00 0.00 H new ATOM 0 HB2 TYR B 4 21.993 9.470 -9.315 1.00 0.00 H new ATOM 0 HB3 TYR B 4 22.184 7.924 -8.513 1.00 0.00 H new ATOM 0 HD1 TYR B 4 20.788 11.356 -8.130 1.00 0.00 H new ATOM 0 HD2 TYR B 4 20.895 7.360 -6.558 1.00 0.00 H new ATOM 0 HE1 TYR B 4 18.872 11.888 -6.650 1.00 0.00 H new ATOM 0 HE2 TYR B 4 18.980 7.893 -5.074 1.00 0.00 H new ATOM 0 HH TYR B 4 17.506 9.432 -4.408 1.00 0.00 H new ATOM 627 N PHE B 5 24.846 7.760 -6.762 1.00 0.00 N ATOM 628 CA PHE B 5 25.911 6.717 -6.827 1.00 0.00 C ATOM 629 C PHE B 5 25.336 5.351 -6.442 1.00 0.00 C ATOM 630 O PHE B 5 24.361 5.257 -5.724 1.00 0.00 O ATOM 631 CB PHE B 5 26.964 7.164 -5.812 1.00 0.00 C ATOM 632 CG PHE B 5 27.356 8.595 -6.090 1.00 0.00 C ATOM 633 CD1 PHE B 5 26.502 9.640 -5.716 1.00 0.00 C ATOM 634 CD2 PHE B 5 28.572 8.877 -6.723 1.00 0.00 C ATOM 635 CE1 PHE B 5 26.866 10.967 -5.974 1.00 0.00 C ATOM 636 CE2 PHE B 5 28.936 10.204 -6.981 1.00 0.00 C ATOM 637 CZ PHE B 5 28.083 11.249 -6.607 1.00 0.00 C ATOM 0 H PHE B 5 24.415 7.884 -5.846 1.00 0.00 H new ATOM 0 HA PHE B 5 26.329 6.613 -7.828 1.00 0.00 H new ATOM 0 HB2 PHE B 5 26.570 7.074 -4.800 1.00 0.00 H new ATOM 0 HB3 PHE B 5 27.840 6.518 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE B 5 25.563 9.422 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE B 5 29.230 8.071 -7.012 1.00 0.00 H new ATOM 0 HE1 PHE B 5 26.208 11.773 -5.685 1.00 0.00 H new ATOM 0 HE2 PHE B 5 29.875 10.421 -7.469 1.00 0.00 H new ATOM 0 HZ PHE B 5 28.363 12.273 -6.807 1.00 0.00 H new ATOM 647 N THR B 6 25.933 4.290 -6.915 1.00 0.00 N ATOM 648 CA THR B 6 25.418 2.932 -6.575 1.00 0.00 C ATOM 649 C THR B 6 26.572 1.929 -6.510 1.00 0.00 C ATOM 650 O THR B 6 27.607 2.117 -7.118 1.00 0.00 O ATOM 651 CB THR B 6 24.461 2.575 -7.714 1.00 0.00 C ATOM 652 OG1 THR B 6 23.251 3.303 -7.559 1.00 0.00 O ATOM 653 CG2 THR B 6 24.166 1.075 -7.684 1.00 0.00 C ATOM 0 H THR B 6 26.753 4.305 -7.521 1.00 0.00 H new ATOM 0 HA THR B 6 24.923 2.909 -5.604 1.00 0.00 H new ATOM 0 HB THR B 6 24.919 2.832 -8.669 1.00 0.00 H new ATOM 0 HG1 THR B 6 23.355 3.961 -6.840 1.00 0.00 H new ATOM 0 HG21 THR B 6 23.484 0.822 -8.496 1.00 0.00 H new ATOM 0 HG22 THR B 6 25.096 0.519 -7.804 1.00 0.00 H new ATOM 0 HG23 THR B 6 23.708 0.813 -6.730 1.00 0.00 H new ATOM 661 N LEU B 7 26.403 0.862 -5.776 1.00 0.00 N ATOM 662 CA LEU B 7 27.490 -0.153 -5.674 1.00 0.00 C ATOM 663 C LEU B 7 26.899 -1.565 -5.689 1.00 0.00 C ATOM 664 O LEU B 7 25.797 -1.792 -5.230 1.00 0.00 O ATOM 665 CB LEU B 7 28.171 0.128 -4.333 1.00 0.00 C ATOM 666 CG LEU B 7 29.661 -0.204 -4.438 1.00 0.00 C ATOM 667 CD1 LEU B 7 30.477 0.870 -3.718 1.00 0.00 C ATOM 668 CD2 LEU B 7 29.925 -1.564 -3.789 1.00 0.00 C ATOM 0 H LEU B 7 25.560 0.650 -5.243 1.00 0.00 H new ATOM 0 HA LEU B 7 28.190 -0.093 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU B 7 28.039 1.175 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU B 7 27.709 -0.469 -3.546 1.00 0.00 H new ATOM 0 HG LEU B 7 29.952 -0.237 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU B 7 31.538 0.632 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU B 7 30.289 1.840 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU B 7 30.187 0.905 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU B 7 30.986 -1.803 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU B 7 29.633 -1.529 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU B 7 29.344 -2.331 -4.302 1.00 0.00 H new ATOM 680 N GLN B 8 27.624 -2.516 -6.212 1.00 0.00 N ATOM 681 CA GLN B 8 27.104 -3.912 -6.256 1.00 0.00 C ATOM 682 C GLN B 8 28.119 -4.872 -5.629 1.00 0.00 C ATOM 683 O GLN B 8 29.298 -4.819 -5.918 1.00 0.00 O ATOM 684 CB GLN B 8 26.918 -4.220 -7.742 1.00 0.00 C ATOM 685 CG GLN B 8 26.201 -3.050 -8.419 1.00 0.00 C ATOM 686 CD GLN B 8 25.811 -3.446 -9.844 1.00 0.00 C ATOM 687 OE1 GLN B 8 24.766 -4.027 -10.062 1.00 0.00 O ATOM 688 NE2 GLN B 8 26.612 -3.153 -10.832 1.00 0.00 N ATOM 0 H GLN B 8 28.554 -2.386 -6.611 1.00 0.00 H new ATOM 0 HA GLN B 8 26.174 -4.025 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN B 8 27.886 -4.389 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN B 8 26.339 -5.135 -7.865 1.00 0.00 H new ATOM 0 HG2 GLN B 8 25.312 -2.776 -7.850 1.00 0.00 H new ATOM 0 HG3 GLN B 8 26.850 -2.174 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN B 8 27.489 -2.665 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN B 8 26.361 -3.412 -11.786 1.00 0.00 H new ATOM 697 N ILE B 9 27.671 -5.747 -4.771 1.00 0.00 N ATOM 698 CA ILE B 9 28.610 -6.706 -4.124 1.00 0.00 C ATOM 699 C ILE B 9 28.115 -8.143 -4.311 1.00 0.00 C ATOM 700 O ILE B 9 26.950 -8.382 -4.558 1.00 0.00 O ATOM 701 CB ILE B 9 28.602 -6.325 -2.643 1.00 0.00 C ATOM 702 CG1 ILE B 9 28.855 -4.823 -2.503 1.00 0.00 C ATOM 703 CG2 ILE B 9 29.701 -7.097 -1.911 1.00 0.00 C ATOM 704 CD1 ILE B 9 27.524 -4.098 -2.298 1.00 0.00 C ATOM 0 H ILE B 9 26.695 -5.839 -4.490 1.00 0.00 H new ATOM 0 HA ILE B 9 29.610 -6.658 -4.554 1.00 0.00 H new ATOM 0 HB ILE B 9 27.633 -6.573 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE B 9 29.519 -4.632 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE B 9 29.355 -4.443 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE B 9 29.695 -6.825 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE B 9 29.522 -8.168 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE B 9 30.670 -6.849 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE B 9 27.704 -3.028 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE B 9 26.876 -4.278 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE B 9 27.042 -4.471 -1.394 1.00 0.00 H new ATOM 716 N ARG B 10 28.993 -9.101 -4.192 1.00 0.00 N ATOM 717 CA ARG B 10 28.576 -10.523 -4.361 1.00 0.00 C ATOM 718 C ARG B 10 28.758 -11.284 -3.046 1.00 0.00 C ATOM 719 O ARG B 10 29.148 -12.435 -3.032 1.00 0.00 O ATOM 720 CB ARG B 10 29.506 -11.083 -5.438 1.00 0.00 C ATOM 721 CG ARG B 10 30.957 -10.974 -4.965 1.00 0.00 C ATOM 722 CD ARG B 10 31.728 -10.031 -5.891 1.00 0.00 C ATOM 723 NE ARG B 10 33.134 -10.077 -5.401 1.00 0.00 N ATOM 724 CZ ARG B 10 34.114 -10.249 -6.246 1.00 0.00 C ATOM 725 NH1 ARG B 10 34.543 -9.245 -6.961 1.00 0.00 N ATOM 726 NH2 ARG B 10 34.665 -11.425 -6.376 1.00 0.00 N ATOM 0 H ARG B 10 29.982 -8.961 -3.985 1.00 0.00 H new ATOM 0 HA ARG B 10 27.527 -10.617 -4.641 1.00 0.00 H new ATOM 0 HB2 ARG B 10 29.256 -12.124 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG B 10 29.374 -10.533 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG B 10 30.990 -10.602 -3.941 1.00 0.00 H new ATOM 0 HG3 ARG B 10 31.424 -11.959 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG B 10 31.661 -10.355 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG B 10 31.327 -9.018 -5.846 1.00 0.00 H new ATOM 0 HE ARG B 10 33.331 -9.974 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG B 10 34.113 -8.326 -6.860 1.00 0.00 H new ATOM 0 HH12 ARG B 10 35.309 -9.379 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG B 10 34.330 -12.210 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG B 10 35.431 -11.559 -7.036 1.00 0.00 H new ATOM 740 N GLY B 11 28.482 -10.649 -1.939 1.00 0.00 N ATOM 741 CA GLY B 11 28.641 -11.335 -0.626 1.00 0.00 C ATOM 742 C GLY B 11 27.770 -10.643 0.423 1.00 0.00 C ATOM 743 O GLY B 11 27.640 -9.435 0.438 1.00 0.00 O ATOM 0 H GLY B 11 28.153 -9.685 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY B 11 28.357 -12.383 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY B 11 29.686 -11.313 -0.317 1.00 0.00 H new ATOM 747 N ARG B 12 27.171 -11.398 1.303 1.00 0.00 N ATOM 748 CA ARG B 12 26.308 -10.783 2.352 1.00 0.00 C ATOM 749 C ARG B 12 27.167 -10.269 3.510 1.00 0.00 C ATOM 750 O ARG B 12 26.835 -9.296 4.157 1.00 0.00 O ATOM 751 CB ARG B 12 25.392 -11.913 2.823 1.00 0.00 C ATOM 752 CG ARG B 12 24.226 -11.328 3.622 1.00 0.00 C ATOM 753 CD ARG B 12 23.263 -12.451 4.016 1.00 0.00 C ATOM 754 NE ARG B 12 22.068 -11.756 4.570 1.00 0.00 N ATOM 755 CZ ARG B 12 21.111 -12.447 5.126 1.00 0.00 C ATOM 756 NH1 ARG B 12 21.400 -13.478 5.873 1.00 0.00 N ATOM 757 NH2 ARG B 12 19.865 -12.108 4.936 1.00 0.00 N ATOM 0 H ARG B 12 27.242 -12.415 1.341 1.00 0.00 H new ATOM 0 HA ARG B 12 25.743 -9.931 1.975 1.00 0.00 H new ATOM 0 HB2 ARG B 12 25.015 -12.471 1.966 1.00 0.00 H new ATOM 0 HB3 ARG B 12 25.952 -12.616 3.439 1.00 0.00 H new ATOM 0 HG2 ARG B 12 24.599 -10.824 4.514 1.00 0.00 H new ATOM 0 HG3 ARG B 12 23.704 -10.578 3.028 1.00 0.00 H new ATOM 0 HD2 ARG B 12 22.999 -13.065 3.155 1.00 0.00 H new ATOM 0 HD3 ARG B 12 23.712 -13.115 4.755 1.00 0.00 H new ATOM 0 HE ARG B 12 21.998 -10.740 4.515 1.00 0.00 H new ATOM 0 HH11 ARG B 12 22.374 -13.743 6.022 1.00 0.00 H new ATOM 0 HH12 ARG B 12 20.652 -14.018 6.308 1.00 0.00 H new ATOM 0 HH21 ARG B 12 19.639 -11.302 4.353 1.00 0.00 H new ATOM 0 HH22 ARG B 12 19.117 -12.649 5.371 1.00 0.00 H new ATOM 771 N GLU B 13 28.268 -10.916 3.778 1.00 0.00 N ATOM 772 CA GLU B 13 29.145 -10.463 4.896 1.00 0.00 C ATOM 773 C GLU B 13 29.699 -9.067 4.600 1.00 0.00 C ATOM 774 O GLU B 13 29.848 -8.247 5.484 1.00 0.00 O ATOM 775 CB GLU B 13 30.276 -11.489 4.956 1.00 0.00 C ATOM 776 CG GLU B 13 30.021 -12.462 6.109 1.00 0.00 C ATOM 777 CD GLU B 13 30.188 -11.730 7.442 1.00 0.00 C ATOM 778 OE1 GLU B 13 31.037 -10.857 7.513 1.00 0.00 O ATOM 779 OE2 GLU B 13 29.465 -12.055 8.369 1.00 0.00 O ATOM 0 H GLU B 13 28.598 -11.738 3.272 1.00 0.00 H new ATOM 0 HA GLU B 13 28.607 -10.397 5.842 1.00 0.00 H new ATOM 0 HB2 GLU B 13 30.338 -12.033 4.014 1.00 0.00 H new ATOM 0 HB3 GLU B 13 31.232 -10.985 5.096 1.00 0.00 H new ATOM 0 HG2 GLU B 13 29.016 -12.877 6.033 1.00 0.00 H new ATOM 0 HG3 GLU B 13 30.716 -13.300 6.052 1.00 0.00 H new ATOM 786 N ARG B 14 30.004 -8.788 3.362 1.00 0.00 N ATOM 787 CA ARG B 14 30.544 -7.442 3.014 1.00 0.00 C ATOM 788 C ARG B 14 29.394 -6.446 2.851 1.00 0.00 C ATOM 789 O ARG B 14 29.442 -5.339 3.351 1.00 0.00 O ATOM 790 CB ARG B 14 31.278 -7.634 1.687 1.00 0.00 C ATOM 791 CG ARG B 14 32.121 -8.909 1.747 1.00 0.00 C ATOM 792 CD ARG B 14 31.607 -9.908 0.710 1.00 0.00 C ATOM 793 NE ARG B 14 32.832 -10.456 0.066 1.00 0.00 N ATOM 794 CZ ARG B 14 32.741 -11.470 -0.751 1.00 0.00 C ATOM 795 NH1 ARG B 14 31.991 -12.491 -0.441 1.00 0.00 N ATOM 796 NH2 ARG B 14 33.400 -11.461 -1.877 1.00 0.00 N ATOM 0 H ARG B 14 29.903 -9.432 2.578 1.00 0.00 H new ATOM 0 HA ARG B 14 31.204 -7.049 3.787 1.00 0.00 H new ATOM 0 HB2 ARG B 14 30.561 -7.698 0.869 1.00 0.00 H new ATOM 0 HB3 ARG B 14 31.916 -6.773 1.485 1.00 0.00 H new ATOM 0 HG2 ARG B 14 33.168 -8.675 1.555 1.00 0.00 H new ATOM 0 HG3 ARG B 14 32.070 -9.345 2.745 1.00 0.00 H new ATOM 0 HD2 ARG B 14 31.020 -10.698 1.179 1.00 0.00 H new ATOM 0 HD3 ARG B 14 30.960 -9.422 -0.020 1.00 0.00 H new ATOM 0 HE ARG B 14 33.742 -10.039 0.263 1.00 0.00 H new ATOM 0 HH11 ARG B 14 31.476 -12.497 0.439 1.00 0.00 H new ATOM 0 HH12 ARG B 14 31.919 -13.284 -1.079 1.00 0.00 H new ATOM 0 HH21 ARG B 14 33.986 -10.662 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG B 14 33.329 -12.253 -2.516 1.00 0.00 H new ATOM 810 N PHE B 15 28.359 -6.832 2.156 1.00 0.00 N ATOM 811 CA PHE B 15 27.206 -5.908 1.965 1.00 0.00 C ATOM 812 C PHE B 15 26.592 -5.551 3.320 1.00 0.00 C ATOM 813 O PHE B 15 26.365 -4.396 3.624 1.00 0.00 O ATOM 814 CB PHE B 15 26.206 -6.689 1.112 1.00 0.00 C ATOM 815 CG PHE B 15 24.921 -5.906 1.003 1.00 0.00 C ATOM 816 CD1 PHE B 15 24.903 -4.681 0.325 1.00 0.00 C ATOM 817 CD2 PHE B 15 23.747 -6.402 1.582 1.00 0.00 C ATOM 818 CE1 PHE B 15 23.711 -3.953 0.226 1.00 0.00 C ATOM 819 CE2 PHE B 15 22.555 -5.675 1.483 1.00 0.00 C ATOM 820 CZ PHE B 15 22.537 -4.450 0.805 1.00 0.00 C ATOM 0 H PHE B 15 28.262 -7.746 1.713 1.00 0.00 H new ATOM 0 HA PHE B 15 27.499 -4.972 1.490 1.00 0.00 H new ATOM 0 HB2 PHE B 15 26.620 -6.869 0.120 1.00 0.00 H new ATOM 0 HB3 PHE B 15 26.014 -7.664 1.559 1.00 0.00 H new ATOM 0 HD1 PHE B 15 25.809 -4.298 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE B 15 23.761 -7.346 2.106 1.00 0.00 H new ATOM 0 HE1 PHE B 15 23.697 -3.008 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE B 15 21.650 -6.059 1.929 1.00 0.00 H new ATOM 0 HZ PHE B 15 21.618 -3.889 0.729 1.00 0.00 H new ATOM 830 N GLU B 16 26.325 -6.532 4.139 1.00 0.00 N ATOM 831 CA GLU B 16 25.731 -6.244 5.476 1.00 0.00 C ATOM 832 C GLU B 16 26.439 -5.046 6.111 1.00 0.00 C ATOM 833 O GLU B 16 25.825 -4.212 6.745 1.00 0.00 O ATOM 834 CB GLU B 16 25.971 -7.510 6.300 1.00 0.00 C ATOM 835 CG GLU B 16 24.725 -8.397 6.248 1.00 0.00 C ATOM 836 CD GLU B 16 23.717 -7.924 7.297 1.00 0.00 C ATOM 837 OE1 GLU B 16 23.066 -6.922 7.055 1.00 0.00 O ATOM 838 OE2 GLU B 16 23.614 -8.573 8.325 1.00 0.00 O ATOM 0 H GLU B 16 26.492 -7.519 3.941 1.00 0.00 H new ATOM 0 HA GLU B 16 24.671 -5.997 5.416 1.00 0.00 H new ATOM 0 HB2 GLU B 16 26.833 -8.052 5.911 1.00 0.00 H new ATOM 0 HB3 GLU B 16 26.200 -7.247 7.333 1.00 0.00 H new ATOM 0 HG2 GLU B 16 24.278 -8.356 5.255 1.00 0.00 H new ATOM 0 HG3 GLU B 16 24.997 -9.436 6.433 1.00 0.00 H new ATOM 845 N GLN B 17 27.730 -4.954 5.941 1.00 0.00 N ATOM 846 CA GLN B 17 28.479 -3.807 6.529 1.00 0.00 C ATOM 847 C GLN B 17 28.100 -2.512 5.806 1.00 0.00 C ATOM 848 O GLN B 17 27.857 -1.494 6.422 1.00 0.00 O ATOM 849 CB GLN B 17 29.954 -4.137 6.303 1.00 0.00 C ATOM 850 CG GLN B 17 30.283 -5.481 6.956 1.00 0.00 C ATOM 851 CD GLN B 17 31.025 -5.241 8.273 1.00 0.00 C ATOM 852 OE1 GLN B 17 30.487 -5.475 9.338 1.00 0.00 O ATOM 853 NE2 GLN B 17 32.245 -4.781 8.246 1.00 0.00 N ATOM 0 H GLN B 17 28.298 -5.623 5.421 1.00 0.00 H new ATOM 0 HA GLN B 17 28.255 -3.662 7.586 1.00 0.00 H new ATOM 0 HB2 GLN B 17 30.169 -4.177 5.235 1.00 0.00 H new ATOM 0 HB3 GLN B 17 30.582 -3.352 6.725 1.00 0.00 H new ATOM 0 HG2 GLN B 17 29.367 -6.042 7.140 1.00 0.00 H new ATOM 0 HG3 GLN B 17 30.896 -6.083 6.285 1.00 0.00 H new ATOM 0 HE21 GLN B 17 32.696 -4.585 7.353 1.00 0.00 H new ATOM 0 HE22 GLN B 17 32.748 -4.618 9.118 1.00 0.00 H new ATOM 862 N PHE B 18 28.045 -2.545 4.502 1.00 0.00 N ATOM 863 CA PHE B 18 27.678 -1.315 3.744 1.00 0.00 C ATOM 864 C PHE B 18 26.231 -0.923 4.054 1.00 0.00 C ATOM 865 O PHE B 18 25.945 0.211 4.384 1.00 0.00 O ATOM 866 CB PHE B 18 27.839 -1.693 2.268 1.00 0.00 C ATOM 867 CG PHE B 18 29.298 -1.959 1.955 1.00 0.00 C ATOM 868 CD1 PHE B 18 30.285 -1.744 2.929 1.00 0.00 C ATOM 869 CD2 PHE B 18 29.664 -2.422 0.684 1.00 0.00 C ATOM 870 CE1 PHE B 18 31.630 -1.990 2.631 1.00 0.00 C ATOM 871 CE2 PHE B 18 31.011 -2.668 0.388 1.00 0.00 C ATOM 872 CZ PHE B 18 31.993 -2.451 1.361 1.00 0.00 C ATOM 0 H PHE B 18 28.238 -3.368 3.931 1.00 0.00 H new ATOM 0 HA PHE B 18 28.300 -0.460 4.008 1.00 0.00 H new ATOM 0 HB2 PHE B 18 27.244 -2.578 2.044 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.464 -0.888 1.635 1.00 0.00 H new ATOM 0 HD1 PHE B 18 30.006 -1.388 3.910 1.00 0.00 H new ATOM 0 HD2 PHE B 18 28.907 -2.589 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE B 18 32.388 -1.824 3.382 1.00 0.00 H new ATOM 0 HE2 PHE B 18 31.292 -3.025 -0.592 1.00 0.00 H new ATOM 0 HZ PHE B 18 33.031 -2.639 1.131 1.00 0.00 H new ATOM 882 N ARG B 19 25.317 -1.851 3.961 1.00 0.00 N ATOM 883 CA ARG B 19 23.895 -1.521 4.264 1.00 0.00 C ATOM 884 C ARG B 19 23.819 -0.746 5.580 1.00 0.00 C ATOM 885 O ARG B 19 23.411 0.398 5.616 1.00 0.00 O ATOM 886 CB ARG B 19 23.188 -2.871 4.393 1.00 0.00 C ATOM 887 CG ARG B 19 21.683 -2.643 4.557 1.00 0.00 C ATOM 888 CD ARG B 19 21.095 -3.735 5.454 1.00 0.00 C ATOM 889 NE ARG B 19 19.732 -3.249 5.804 1.00 0.00 N ATOM 890 CZ ARG B 19 19.477 -2.836 7.015 1.00 0.00 C ATOM 891 NH1 ARG B 19 20.071 -1.771 7.480 1.00 0.00 N ATOM 892 NH2 ARG B 19 18.627 -3.488 7.761 1.00 0.00 N ATOM 0 H ARG B 19 25.492 -2.819 3.690 1.00 0.00 H new ATOM 0 HA ARG B 19 23.436 -0.901 3.494 1.00 0.00 H new ATOM 0 HB2 ARG B 19 23.381 -3.481 3.510 1.00 0.00 H new ATOM 0 HB3 ARG B 19 23.580 -3.419 5.250 1.00 0.00 H new ATOM 0 HG2 ARG B 19 21.499 -1.661 4.993 1.00 0.00 H new ATOM 0 HG3 ARG B 19 21.194 -2.656 3.583 1.00 0.00 H new ATOM 0 HD2 ARG B 19 21.052 -4.692 4.935 1.00 0.00 H new ATOM 0 HD3 ARG B 19 21.703 -3.883 6.346 1.00 0.00 H new ATOM 0 HE ARG B 19 18.997 -3.239 5.097 1.00 0.00 H new ATOM 0 HH11 ARG B 19 20.735 -1.261 6.897 1.00 0.00 H new ATOM 0 HH12 ARG B 19 19.872 -1.448 8.427 1.00 0.00 H new ATOM 0 HH21 ARG B 19 18.163 -4.320 7.397 1.00 0.00 H new ATOM 0 HH22 ARG B 19 18.427 -3.165 8.708 1.00 0.00 H new ATOM 906 N GLU B 20 24.218 -1.357 6.663 1.00 0.00 N ATOM 907 CA GLU B 20 24.178 -0.648 7.972 1.00 0.00 C ATOM 908 C GLU B 20 24.845 0.722 7.833 1.00 0.00 C ATOM 909 O GLU B 20 24.361 1.715 8.340 1.00 0.00 O ATOM 910 CB GLU B 20 24.971 -1.537 8.932 1.00 0.00 C ATOM 911 CG GLU B 20 24.954 -0.920 10.332 1.00 0.00 C ATOM 912 CD GLU B 20 25.979 -1.631 11.217 1.00 0.00 C ATOM 913 OE1 GLU B 20 26.928 -2.172 10.674 1.00 0.00 O ATOM 914 OE2 GLU B 20 25.797 -1.623 12.424 1.00 0.00 O ATOM 0 H GLU B 20 24.569 -2.314 6.697 1.00 0.00 H new ATOM 0 HA GLU B 20 23.161 -0.480 8.327 1.00 0.00 H new ATOM 0 HB2 GLU B 20 24.539 -2.537 8.959 1.00 0.00 H new ATOM 0 HB3 GLU B 20 25.998 -1.643 8.582 1.00 0.00 H new ATOM 0 HG2 GLU B 20 25.184 0.144 10.275 1.00 0.00 H new ATOM 0 HG3 GLU B 20 23.959 -1.008 10.768 1.00 0.00 H new ATOM 921 N ARG B 21 25.950 0.782 7.141 1.00 0.00 N ATOM 922 CA ARG B 21 26.645 2.086 6.960 1.00 0.00 C ATOM 923 C ARG B 21 25.756 3.039 6.158 1.00 0.00 C ATOM 924 O ARG B 21 25.603 4.195 6.502 1.00 0.00 O ATOM 925 CB ARG B 21 27.922 1.754 6.187 1.00 0.00 C ATOM 926 CG ARG B 21 29.137 1.958 7.096 1.00 0.00 C ATOM 927 CD ARG B 21 29.957 0.666 7.154 1.00 0.00 C ATOM 928 NE ARG B 21 30.902 0.860 8.288 1.00 0.00 N ATOM 929 CZ ARG B 21 31.866 0.004 8.488 1.00 0.00 C ATOM 930 NH1 ARG B 21 31.755 -1.218 8.044 1.00 0.00 N ATOM 931 NH2 ARG B 21 32.942 0.369 9.131 1.00 0.00 N ATOM 0 H ARG B 21 26.401 -0.016 6.694 1.00 0.00 H new ATOM 0 HA ARG B 21 26.867 2.577 7.908 1.00 0.00 H new ATOM 0 HB2 ARG B 21 27.888 0.724 5.833 1.00 0.00 H new ATOM 0 HB3 ARG B 21 28.003 2.391 5.306 1.00 0.00 H new ATOM 0 HG2 ARG B 21 29.753 2.775 6.719 1.00 0.00 H new ATOM 0 HG3 ARG B 21 28.812 2.240 8.097 1.00 0.00 H new ATOM 0 HD2 ARG B 21 29.317 -0.201 7.318 1.00 0.00 H new ATOM 0 HD3 ARG B 21 30.492 0.496 6.220 1.00 0.00 H new ATOM 0 HE ARG B 21 30.796 1.662 8.909 1.00 0.00 H new ATOM 0 HH11 ARG B 21 30.915 -1.503 7.541 1.00 0.00 H new ATOM 0 HH12 ARG B 21 32.508 -1.888 8.200 1.00 0.00 H new ATOM 0 HH21 ARG B 21 33.030 1.324 9.478 1.00 0.00 H new ATOM 0 HH22 ARG B 21 33.695 -0.301 9.287 1.00 0.00 H new ATOM 945 N ASN B 22 25.157 2.562 5.098 1.00 0.00 N ATOM 946 CA ASN B 22 24.267 3.443 4.288 1.00 0.00 C ATOM 947 C ASN B 22 23.380 4.267 5.222 1.00 0.00 C ATOM 948 O ASN B 22 23.238 5.463 5.067 1.00 0.00 O ATOM 949 CB ASN B 22 23.420 2.490 3.444 1.00 0.00 C ATOM 950 CG ASN B 22 22.343 3.285 2.704 1.00 0.00 C ATOM 951 OD1 ASN B 22 21.313 2.749 2.347 1.00 0.00 O ATOM 952 ND2 ASN B 22 22.538 4.552 2.458 1.00 0.00 N ATOM 0 H ASN B 22 25.246 1.604 4.760 1.00 0.00 H new ATOM 0 HA ASN B 22 24.824 4.142 3.664 1.00 0.00 H new ATOM 0 HB2 ASN B 22 24.051 1.960 2.730 1.00 0.00 H new ATOM 0 HB3 ASN B 22 22.957 1.736 4.081 1.00 0.00 H new ATOM 0 HD21 ASN B 22 21.826 5.092 1.966 1.00 0.00 H new ATOM 0 HD22 ASN B 22 23.403 5.002 2.758 1.00 0.00 H new ATOM 959 N GLU B 23 22.793 3.633 6.200 1.00 0.00 N ATOM 960 CA GLU B 23 21.927 4.379 7.155 1.00 0.00 C ATOM 961 C GLU B 23 22.767 5.411 7.908 1.00 0.00 C ATOM 962 O GLU B 23 22.448 6.583 7.940 1.00 0.00 O ATOM 963 CB GLU B 23 21.389 3.317 8.114 1.00 0.00 C ATOM 964 CG GLU B 23 20.601 3.996 9.236 1.00 0.00 C ATOM 965 CD GLU B 23 19.108 3.723 9.048 1.00 0.00 C ATOM 966 OE1 GLU B 23 18.553 4.219 8.082 1.00 0.00 O ATOM 967 OE2 GLU B 23 18.545 3.023 9.874 1.00 0.00 O ATOM 0 H GLU B 23 22.876 2.632 6.379 1.00 0.00 H new ATOM 0 HA GLU B 23 21.120 4.918 6.659 1.00 0.00 H new ATOM 0 HB2 GLU B 23 20.748 2.618 7.577 1.00 0.00 H new ATOM 0 HB3 GLU B 23 22.213 2.738 8.532 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.931 3.621 10.205 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.789 5.070 9.229 1.00 0.00 H new ATOM 974 N ALA B 24 23.848 4.986 8.505 1.00 0.00 N ATOM 975 CA ALA B 24 24.715 5.945 9.244 1.00 0.00 C ATOM 976 C ALA B 24 25.191 7.045 8.294 1.00 0.00 C ATOM 977 O ALA B 24 25.008 8.219 8.545 1.00 0.00 O ATOM 978 CB ALA B 24 25.898 5.113 9.739 1.00 0.00 C ATOM 0 H ALA B 24 24.167 4.017 8.512 1.00 0.00 H new ATOM 0 HA ALA B 24 24.193 6.432 10.068 1.00 0.00 H new ATOM 0 HB1 ALA B 24 26.584 5.751 10.295 1.00 0.00 H new ATOM 0 HB2 ALA B 24 25.536 4.316 10.389 1.00 0.00 H new ATOM 0 HB3 ALA B 24 26.418 4.677 8.886 1.00 0.00 H new ATOM 984 N LEU B 25 25.794 6.671 7.198 1.00 0.00 N ATOM 985 CA LEU B 25 26.270 7.696 6.227 1.00 0.00 C ATOM 986 C LEU B 25 25.139 8.677 5.919 1.00 0.00 C ATOM 987 O LEU B 25 25.327 9.877 5.910 1.00 0.00 O ATOM 988 CB LEU B 25 26.657 6.908 4.975 1.00 0.00 C ATOM 989 CG LEU B 25 28.168 6.678 4.964 1.00 0.00 C ATOM 990 CD1 LEU B 25 28.890 8.026 4.931 1.00 0.00 C ATOM 991 CD2 LEU B 25 28.575 5.914 6.226 1.00 0.00 C ATOM 0 H LEU B 25 25.977 5.703 6.934 1.00 0.00 H new ATOM 0 HA LEU B 25 27.108 8.279 6.610 1.00 0.00 H new ATOM 0 HB2 LEU B 25 26.133 5.952 4.957 1.00 0.00 H new ATOM 0 HB3 LEU B 25 26.355 7.454 4.081 1.00 0.00 H new ATOM 0 HG LEU B 25 28.441 6.098 4.082 1.00 0.00 H new ATOM 0 HD11 LEU B 25 29.967 7.862 4.923 1.00 0.00 H new ATOM 0 HD12 LEU B 25 28.600 8.572 4.034 1.00 0.00 H new ATOM 0 HD13 LEU B 25 28.618 8.606 5.813 1.00 0.00 H new ATOM 0 HD21 LEU B 25 29.652 5.749 6.220 1.00 0.00 H new ATOM 0 HD22 LEU B 25 28.302 6.495 7.107 1.00 0.00 H new ATOM 0 HD23 LEU B 25 28.061 4.953 6.251 1.00 0.00 H new ATOM 1003 N GLU B 26 23.959 8.173 5.674 1.00 0.00 N ATOM 1004 CA GLU B 26 22.812 9.076 5.376 1.00 0.00 C ATOM 1005 C GLU B 26 22.750 10.192 6.421 1.00 0.00 C ATOM 1006 O GLU B 26 22.590 11.352 6.097 1.00 0.00 O ATOM 1007 CB GLU B 26 21.572 8.185 5.465 1.00 0.00 C ATOM 1008 CG GLU B 26 20.546 8.633 4.423 1.00 0.00 C ATOM 1009 CD GLU B 26 20.082 10.056 4.741 1.00 0.00 C ATOM 1010 OE1 GLU B 26 19.787 10.317 5.896 1.00 0.00 O ATOM 1011 OE2 GLU B 26 20.031 10.860 3.825 1.00 0.00 O ATOM 0 H GLU B 26 23.741 7.177 5.668 1.00 0.00 H new ATOM 0 HA GLU B 26 22.896 9.553 4.399 1.00 0.00 H new ATOM 0 HB2 GLU B 26 21.847 7.144 5.296 1.00 0.00 H new ATOM 0 HB3 GLU B 26 21.140 8.243 6.464 1.00 0.00 H new ATOM 0 HG2 GLU B 26 20.985 8.597 3.426 1.00 0.00 H new ATOM 0 HG3 GLU B 26 19.694 7.953 4.421 1.00 0.00 H new ATOM 1018 N LEU B 27 22.883 9.849 7.674 1.00 0.00 N ATOM 1019 CA LEU B 27 22.842 10.890 8.739 1.00 0.00 C ATOM 1020 C LEU B 27 24.150 11.684 8.738 1.00 0.00 C ATOM 1021 O LEU B 27 24.166 12.877 8.964 1.00 0.00 O ATOM 1022 CB LEU B 27 22.684 10.114 10.048 1.00 0.00 C ATOM 1023 CG LEU B 27 22.757 11.084 11.229 1.00 0.00 C ATOM 1024 CD1 LEU B 27 21.344 11.395 11.724 1.00 0.00 C ATOM 1025 CD2 LEU B 27 23.564 10.446 12.362 1.00 0.00 C ATOM 0 H LEU B 27 23.018 8.894 8.005 1.00 0.00 H new ATOM 0 HA LEU B 27 22.032 11.604 8.593 1.00 0.00 H new ATOM 0 HB2 LEU B 27 21.731 9.585 10.057 1.00 0.00 H new ATOM 0 HB3 LEU B 27 23.467 9.361 10.133 1.00 0.00 H new ATOM 0 HG LEU B 27 23.241 12.007 10.911 1.00 0.00 H new ATOM 0 HD11 LEU B 27 21.397 12.086 12.565 1.00 0.00 H new ATOM 0 HD12 LEU B 27 20.768 11.849 10.918 1.00 0.00 H new ATOM 0 HD13 LEU B 27 20.859 10.472 12.042 1.00 0.00 H new ATOM 0 HD21 LEU B 27 23.617 11.136 13.204 1.00 0.00 H new ATOM 0 HD22 LEU B 27 23.079 9.523 12.679 1.00 0.00 H new ATOM 0 HD23 LEU B 27 24.572 10.224 12.011 1.00 0.00 H new ATOM 1037 N LYS B 28 25.248 11.027 8.481 1.00 0.00 N ATOM 1038 CA LYS B 28 26.558 11.738 8.458 1.00 0.00 C ATOM 1039 C LYS B 28 26.466 12.980 7.567 1.00 0.00 C ATOM 1040 O LYS B 28 26.764 14.081 7.987 1.00 0.00 O ATOM 1041 CB LYS B 28 27.544 10.721 7.875 1.00 0.00 C ATOM 1042 CG LYS B 28 28.795 11.443 7.368 1.00 0.00 C ATOM 1043 CD LYS B 28 29.291 12.419 8.436 1.00 0.00 C ATOM 1044 CE LYS B 28 30.819 12.352 8.521 1.00 0.00 C ATOM 1045 NZ LYS B 28 31.312 12.932 7.237 1.00 0.00 N ATOM 0 H LYS B 28 25.294 10.027 8.286 1.00 0.00 H new ATOM 0 HA LYS B 28 26.866 12.082 9.445 1.00 0.00 H new ATOM 0 HB2 LYS B 28 27.818 9.990 8.635 1.00 0.00 H new ATOM 0 HB3 LYS B 28 27.074 10.172 7.059 1.00 0.00 H new ATOM 0 HG2 LYS B 28 29.575 10.719 7.132 1.00 0.00 H new ATOM 0 HG3 LYS B 28 28.569 11.980 6.447 1.00 0.00 H new ATOM 0 HD2 LYS B 28 28.974 13.433 8.192 1.00 0.00 H new ATOM 0 HD3 LYS B 28 28.851 12.171 9.402 1.00 0.00 H new ATOM 0 HE2 LYS B 28 31.190 12.917 9.376 1.00 0.00 H new ATOM 0 HE3 LYS B 28 31.161 11.325 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 32.325 13.154 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 31.171 12.245 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 30.784 13.802 7.024 1.00 0.00 H new ATOM 1059 N ASP B 29 26.055 12.812 6.340 1.00 0.00 N ATOM 1060 CA ASP B 29 25.943 13.983 5.423 1.00 0.00 C ATOM 1061 C ASP B 29 24.763 14.866 5.836 1.00 0.00 C ATOM 1062 O ASP B 29 24.790 16.070 5.676 1.00 0.00 O ATOM 1063 CB ASP B 29 25.703 13.381 4.039 1.00 0.00 C ATOM 1064 CG ASP B 29 26.835 13.799 3.097 1.00 0.00 C ATOM 1065 OD1 ASP B 29 27.893 14.147 3.594 1.00 0.00 O ATOM 1066 OD2 ASP B 29 26.623 13.763 1.896 1.00 0.00 O ATOM 0 H ASP B 29 25.792 11.915 5.932 1.00 0.00 H new ATOM 0 HA ASP B 29 26.833 14.611 5.445 1.00 0.00 H new ATOM 0 HB2 ASP B 29 25.655 12.294 4.107 1.00 0.00 H new ATOM 0 HB3 ASP B 29 24.744 13.719 3.645 1.00 0.00 H new ATOM 1071 N ALA B 30 23.726 14.277 6.368 1.00 0.00 N ATOM 1072 CA ALA B 30 22.546 15.085 6.791 1.00 0.00 C ATOM 1073 C ALA B 30 22.858 15.833 8.090 1.00 0.00 C ATOM 1074 O ALA B 30 22.032 16.553 8.615 1.00 0.00 O ATOM 1075 CB ALA B 30 21.428 14.066 7.012 1.00 0.00 C ATOM 0 H ALA B 30 23.645 13.273 6.528 1.00 0.00 H new ATOM 0 HA ALA B 30 22.271 15.836 6.051 1.00 0.00 H new ATOM 0 HB1 ALA B 30 20.521 14.583 7.327 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.236 13.529 6.083 1.00 0.00 H new ATOM 0 HB3 ALA B 30 21.728 13.358 7.784 1.00 0.00 H new ATOM 1081 N GLN B 31 24.043 15.669 8.611 1.00 0.00 N ATOM 1082 CA GLN B 31 24.406 16.372 9.875 1.00 0.00 C ATOM 1083 C GLN B 31 25.616 17.282 9.646 1.00 0.00 C ATOM 1084 O GLN B 31 25.676 18.389 10.143 1.00 0.00 O ATOM 1085 CB GLN B 31 24.753 15.258 10.864 1.00 0.00 C ATOM 1086 CG GLN B 31 23.655 15.156 11.924 1.00 0.00 C ATOM 1087 CD GLN B 31 22.287 15.119 11.241 1.00 0.00 C ATOM 1088 OE1 GLN B 31 22.061 14.325 10.350 1.00 0.00 O ATOM 1089 NE2 GLN B 31 21.357 15.952 11.624 1.00 0.00 N ATOM 0 H GLN B 31 24.776 15.079 8.217 1.00 0.00 H new ATOM 0 HA GLN B 31 23.598 17.005 10.241 1.00 0.00 H new ATOM 0 HB2 GLN B 31 24.854 14.309 10.338 1.00 0.00 H new ATOM 0 HB3 GLN B 31 25.713 15.464 11.338 1.00 0.00 H new ATOM 0 HG2 GLN B 31 23.797 14.258 12.525 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.711 16.006 12.604 1.00 0.00 H new ATOM 0 HE21 GLN B 31 21.546 16.619 12.372 1.00 0.00 H new ATOM 0 HE22 GLN B 31 20.441 15.936 11.175 1.00 0.00 H new