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 Set 1.1: A 8 GLN : amide:sc= 0.425 K(o=1,f=0.21) USER MOD Set 1.2: B 6 THR OG1 : rot -116:sc= 0.611 USER MOD Set 2.1: A 6 THR OG1 : rot -116:sc= 0.68 USER MOD Set 2.2: B 8 GLN : amide:sc= 0.405 K(o=1.1,f=0.28) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.79 K(o=-2.8,f=-10!) USER MOD Single : A 22 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.74 K(o=-0.74,f=-0.19) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= -2.78 K(o=-2.8,f=-11!) USER MOD Single : B 22 ASN : amide:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 35.702 11.977 5.321 1.00 0.00 N ATOM 38 CA TYR A 4 34.745 10.842 5.193 1.00 0.00 C ATOM 39 C TYR A 4 35.118 9.967 3.994 1.00 0.00 C ATOM 40 O TYR A 4 36.135 10.168 3.360 1.00 0.00 O ATOM 41 CB TYR A 4 33.381 11.497 4.975 1.00 0.00 C ATOM 42 CG TYR A 4 33.473 12.479 3.832 1.00 0.00 C ATOM 43 CD1 TYR A 4 33.447 12.018 2.510 1.00 0.00 C ATOM 44 CD2 TYR A 4 33.587 13.849 4.093 1.00 0.00 C ATOM 45 CE1 TYR A 4 33.533 12.929 1.450 1.00 0.00 C ATOM 46 CE2 TYR A 4 33.673 14.759 3.034 1.00 0.00 C ATOM 47 CZ TYR A 4 33.646 14.299 1.712 1.00 0.00 C ATOM 48 OH TYR A 4 33.732 15.197 0.667 1.00 0.00 O ATOM 0 HA TYR A 4 34.752 10.196 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 4 32.631 10.737 4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.061 12.008 5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.361 10.961 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 4 33.609 14.204 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.512 12.574 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.760 15.816 3.236 1.00 0.00 H new ATOM 0 HH TYR A 4 33.804 16.107 1.023 1.00 0.00 H new ATOM 58 N PHE A 5 34.303 8.998 3.678 1.00 0.00 N ATOM 59 CA PHE A 5 34.613 8.112 2.519 1.00 0.00 C ATOM 60 C PHE A 5 33.459 8.131 1.513 1.00 0.00 C ATOM 61 O PHE A 5 32.361 8.551 1.820 1.00 0.00 O ATOM 62 CB PHE A 5 34.777 6.716 3.121 1.00 0.00 C ATOM 63 CG PHE A 5 35.721 6.781 4.297 1.00 0.00 C ATOM 64 CD1 PHE A 5 37.022 7.269 4.125 1.00 0.00 C ATOM 65 CD2 PHE A 5 35.296 6.351 5.560 1.00 0.00 C ATOM 66 CE1 PHE A 5 37.897 7.328 5.215 1.00 0.00 C ATOM 67 CE2 PHE A 5 36.172 6.410 6.650 1.00 0.00 C ATOM 68 CZ PHE A 5 37.473 6.898 6.478 1.00 0.00 C ATOM 0 H PHE A 5 33.437 8.781 4.171 1.00 0.00 H new ATOM 0 HA PHE A 5 35.506 8.432 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 5 33.809 6.330 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 5 35.163 6.028 2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 5 37.350 7.600 3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 5 34.293 5.974 5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 5 38.900 7.705 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 5 35.844 6.079 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 5 38.149 6.943 7.319 1.00 0.00 H new ATOM 78 N THR A 6 33.700 7.677 0.314 1.00 0.00 N ATOM 79 CA THR A 6 32.619 7.666 -0.713 1.00 0.00 C ATOM 80 C THR A 6 32.846 6.517 -1.699 1.00 0.00 C ATOM 81 O THR A 6 33.914 6.368 -2.258 1.00 0.00 O ATOM 82 CB THR A 6 32.732 9.017 -1.422 1.00 0.00 C ATOM 83 OG1 THR A 6 32.281 10.045 -0.550 1.00 0.00 O ATOM 84 CG2 THR A 6 31.873 9.006 -2.688 1.00 0.00 C ATOM 0 H THR A 6 34.600 7.313 0.000 1.00 0.00 H new ATOM 0 HA THR A 6 31.631 7.520 -0.276 1.00 0.00 H new ATOM 0 HB THR A 6 33.772 9.199 -1.694 1.00 0.00 H new ATOM 0 HG1 THR A 6 31.479 10.464 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 6 31.955 9.969 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 6 32.219 8.217 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 6 30.832 8.824 -2.420 1.00 0.00 H new ATOM 92 N LEU A 7 31.850 5.702 -1.915 1.00 0.00 N ATOM 93 CA LEU A 7 32.014 4.562 -2.862 1.00 0.00 C ATOM 94 C LEU A 7 30.986 4.655 -3.992 1.00 0.00 C ATOM 95 O LEU A 7 29.999 5.356 -3.892 1.00 0.00 O ATOM 96 CB LEU A 7 31.772 3.310 -2.019 1.00 0.00 C ATOM 97 CG LEU A 7 33.113 2.671 -1.655 1.00 0.00 C ATOM 98 CD1 LEU A 7 32.894 1.599 -0.587 1.00 0.00 C ATOM 99 CD2 LEU A 7 33.726 2.031 -2.903 1.00 0.00 C ATOM 0 H LEU A 7 30.931 5.776 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 7 32.998 4.555 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 7 31.223 3.569 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 7 31.157 2.600 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 7 33.788 3.435 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.850 1.143 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 7 32.456 2.054 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 7 32.220 0.834 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.682 1.575 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 7 33.051 1.267 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 7 33.882 2.795 -3.665 1.00 0.00 H new ATOM 111 N GLN A 8 31.211 3.949 -5.067 1.00 0.00 N ATOM 112 CA GLN A 8 30.248 3.992 -6.204 1.00 0.00 C ATOM 113 C GLN A 8 29.880 2.570 -6.633 1.00 0.00 C ATOM 114 O GLN A 8 30.734 1.723 -6.801 1.00 0.00 O ATOM 115 CB GLN A 8 30.992 4.716 -7.327 1.00 0.00 C ATOM 116 CG GLN A 8 31.693 5.953 -6.763 1.00 0.00 C ATOM 117 CD GLN A 8 31.538 7.119 -7.741 1.00 0.00 C ATOM 118 OE1 GLN A 8 30.471 7.338 -8.279 1.00 0.00 O ATOM 119 NE2 GLN A 8 32.565 7.882 -7.994 1.00 0.00 N ATOM 0 H GLN A 8 32.020 3.344 -5.207 1.00 0.00 H new ATOM 0 HA GLN A 8 29.318 4.497 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 8 31.722 4.048 -7.783 1.00 0.00 H new ATOM 0 HB3 GLN A 8 30.293 5.007 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 8 31.265 6.217 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 8 32.749 5.741 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 8 33.461 7.698 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 8 32.472 8.663 -8.644 1.00 0.00 H new ATOM 128 N ILE A 9 28.616 2.299 -6.810 1.00 0.00 N ATOM 129 CA ILE A 9 28.202 0.928 -7.225 1.00 0.00 C ATOM 130 C ILE A 9 27.479 0.975 -8.573 1.00 0.00 C ATOM 131 O ILE A 9 26.939 1.990 -8.965 1.00 0.00 O ATOM 132 CB ILE A 9 27.256 0.448 -6.125 1.00 0.00 C ATOM 133 CG1 ILE A 9 28.031 0.308 -4.812 1.00 0.00 C ATOM 134 CG2 ILE A 9 26.668 -0.909 -6.515 1.00 0.00 C ATOM 135 CD1 ILE A 9 27.562 1.379 -3.826 1.00 0.00 C ATOM 0 H ILE A 9 27.854 2.965 -6.686 1.00 0.00 H new ATOM 0 HA ILE A 9 29.055 0.261 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 9 26.450 1.171 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 9 27.874 -0.684 -4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 9 29.100 0.411 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 9 25.993 -1.252 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 9 26.117 -0.812 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 9 27.474 -1.632 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 9 28.114 1.279 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 9 27.741 2.367 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 9 26.496 1.255 -3.633 1.00 0.00 H new ATOM 147 N ARG A 10 27.466 -0.118 -9.286 1.00 0.00 N ATOM 148 CA ARG A 10 26.778 -0.139 -10.609 1.00 0.00 C ATOM 149 C ARG A 10 25.917 -1.399 -10.737 1.00 0.00 C ATOM 150 O ARG A 10 25.770 -1.956 -11.806 1.00 0.00 O ATOM 151 CB ARG A 10 27.905 -0.153 -11.642 1.00 0.00 C ATOM 152 CG ARG A 10 28.845 -1.327 -11.357 1.00 0.00 C ATOM 153 CD ARG A 10 29.697 -1.612 -12.596 1.00 0.00 C ATOM 154 NE ARG A 10 30.888 -0.731 -12.455 1.00 0.00 N ATOM 155 CZ ARG A 10 31.563 -0.371 -13.513 1.00 0.00 C ATOM 156 NH1 ARG A 10 31.773 -1.227 -14.475 1.00 0.00 N ATOM 157 NH2 ARG A 10 32.027 0.845 -13.609 1.00 0.00 N ATOM 0 H ARG A 10 27.902 -0.998 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 10 26.114 0.715 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.491 -0.241 -12.646 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.457 0.786 -11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.487 -1.095 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.268 -2.212 -11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.986 -2.662 -12.643 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.149 -1.391 -13.512 1.00 0.00 H new ATOM 0 HE ARG A 10 31.177 -0.408 -11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.410 -2.177 -14.400 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.300 -0.946 -15.302 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.862 1.515 -12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.554 1.126 -14.436 1.00 0.00 H new ATOM 171 N GLY A 11 25.348 -1.852 -9.653 1.00 0.00 N ATOM 172 CA GLY A 11 24.498 -3.075 -9.715 1.00 0.00 C ATOM 173 C GLY A 11 23.473 -3.044 -8.580 1.00 0.00 C ATOM 174 O GLY A 11 23.808 -2.828 -7.433 1.00 0.00 O ATOM 0 H GLY A 11 25.435 -1.429 -8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.989 -3.128 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 11 25.119 -3.967 -9.633 1.00 0.00 H new ATOM 178 N ARG A 12 22.223 -3.258 -8.892 1.00 0.00 N ATOM 179 CA ARG A 12 21.176 -3.240 -7.830 1.00 0.00 C ATOM 180 C ARG A 12 21.379 -4.413 -6.867 1.00 0.00 C ATOM 181 O ARG A 12 21.503 -4.232 -5.672 1.00 0.00 O ATOM 182 CB ARG A 12 19.851 -3.385 -8.579 1.00 0.00 C ATOM 183 CG ARG A 12 18.783 -2.529 -7.896 1.00 0.00 C ATOM 184 CD ARG A 12 18.267 -1.476 -8.880 1.00 0.00 C ATOM 185 NE ARG A 12 16.805 -1.380 -8.610 1.00 0.00 N ATOM 186 CZ ARG A 12 16.052 -0.624 -9.360 1.00 0.00 C ATOM 187 NH1 ARG A 12 16.597 0.241 -10.171 1.00 0.00 N ATOM 188 NH2 ARG A 12 14.752 -0.732 -9.300 1.00 0.00 N ATOM 0 H ARG A 12 21.882 -3.444 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 12 21.209 -2.329 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 12 19.972 -3.075 -9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.541 -4.430 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 17.961 -3.158 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.200 -2.044 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.761 -0.516 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.459 -1.772 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 12 16.393 -1.905 -7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.612 0.326 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.008 0.832 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.325 -1.408 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.163 -0.141 -9.887 1.00 0.00 H new ATOM 202 N GLU A 13 21.414 -5.613 -7.378 1.00 0.00 N ATOM 203 CA GLU A 13 21.608 -6.795 -6.490 1.00 0.00 C ATOM 204 C GLU A 13 22.716 -6.516 -5.471 1.00 0.00 C ATOM 205 O GLU A 13 22.606 -6.861 -4.311 1.00 0.00 O ATOM 206 CB GLU A 13 22.016 -7.932 -7.427 1.00 0.00 C ATOM 207 CG GLU A 13 21.751 -9.275 -6.744 1.00 0.00 C ATOM 208 CD GLU A 13 22.273 -10.410 -7.628 1.00 0.00 C ATOM 209 OE1 GLU A 13 21.681 -10.643 -8.669 1.00 0.00 O ATOM 210 OE2 GLU A 13 23.254 -11.027 -7.248 1.00 0.00 O ATOM 0 H GLU A 13 21.317 -5.826 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 13 20.709 -7.037 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.454 -7.869 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 13 23.072 -7.845 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 13 22.241 -9.303 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.683 -9.400 -6.566 1.00 0.00 H new ATOM 217 N ARG A 14 23.779 -5.887 -5.893 1.00 0.00 N ATOM 218 CA ARG A 14 24.886 -5.578 -4.949 1.00 0.00 C ATOM 219 C ARG A 14 24.559 -4.298 -4.184 1.00 0.00 C ATOM 220 O ARG A 14 24.713 -4.218 -2.979 1.00 0.00 O ATOM 221 CB ARG A 14 26.117 -5.380 -5.835 1.00 0.00 C ATOM 222 CG ARG A 14 26.693 -6.745 -6.221 1.00 0.00 C ATOM 223 CD ARG A 14 26.831 -6.831 -7.743 1.00 0.00 C ATOM 224 NE ARG A 14 25.464 -7.160 -8.236 1.00 0.00 N ATOM 225 CZ ARG A 14 25.205 -8.355 -8.694 1.00 0.00 C ATOM 226 NH1 ARG A 14 25.268 -9.387 -7.897 1.00 0.00 N ATOM 227 NH2 ARG A 14 24.883 -8.518 -9.948 1.00 0.00 N ATOM 0 H ARG A 14 23.927 -5.574 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 14 25.045 -6.365 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.847 -4.821 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.868 -4.793 -5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 14 27.665 -6.888 -5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.043 -7.541 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.185 -5.889 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.550 -7.598 -8.031 1.00 0.00 H new ATOM 0 HE ARG A 14 24.730 -6.452 -8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.519 -9.260 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.066 -10.321 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.834 -7.712 -10.571 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.681 -9.452 -10.305 1.00 0.00 H new ATOM 241 N PHE A 15 24.100 -3.293 -4.879 1.00 0.00 N ATOM 242 CA PHE A 15 23.757 -2.021 -4.194 1.00 0.00 C ATOM 243 C PHE A 15 22.826 -2.306 -3.017 1.00 0.00 C ATOM 244 O PHE A 15 23.036 -1.834 -1.917 1.00 0.00 O ATOM 245 CB PHE A 15 23.051 -1.168 -5.247 1.00 0.00 C ATOM 246 CG PHE A 15 22.827 0.219 -4.694 1.00 0.00 C ATOM 247 CD1 PHE A 15 23.923 1.019 -4.347 1.00 0.00 C ATOM 248 CD2 PHE A 15 21.525 0.704 -4.523 1.00 0.00 C ATOM 249 CE1 PHE A 15 23.716 2.303 -3.829 1.00 0.00 C ATOM 250 CE2 PHE A 15 21.319 1.988 -4.006 1.00 0.00 C ATOM 251 CZ PHE A 15 22.414 2.787 -3.658 1.00 0.00 C ATOM 0 H PHE A 15 23.949 -3.300 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 15 24.636 -1.514 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 15 23.653 -1.118 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.098 -1.622 -5.521 1.00 0.00 H new ATOM 0 HD1 PHE A 15 24.928 0.645 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 15 20.680 0.087 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 15 24.561 2.920 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.314 2.363 -3.875 1.00 0.00 H new ATOM 0 HZ PHE A 15 22.254 3.777 -3.257 1.00 0.00 H new ATOM 261 N GLU A 16 21.802 -3.087 -3.236 1.00 0.00 N ATOM 262 CA GLU A 16 20.869 -3.410 -2.122 1.00 0.00 C ATOM 263 C GLU A 16 21.675 -3.751 -0.870 1.00 0.00 C ATOM 264 O GLU A 16 21.314 -3.392 0.233 1.00 0.00 O ATOM 265 CB GLU A 16 20.080 -4.629 -2.602 1.00 0.00 C ATOM 266 CG GLU A 16 19.135 -4.214 -3.731 1.00 0.00 C ATOM 267 CD GLU A 16 17.859 -5.056 -3.664 1.00 0.00 C ATOM 268 OE1 GLU A 16 17.906 -6.201 -4.082 1.00 0.00 O ATOM 269 OE2 GLU A 16 16.857 -4.540 -3.196 1.00 0.00 O ATOM 0 H GLU A 16 21.573 -3.513 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 16 20.209 -2.580 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.763 -5.403 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.511 -5.056 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.890 -3.155 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.623 -4.350 -4.696 1.00 0.00 H new ATOM 276 N GLN A 17 22.775 -4.434 -1.037 1.00 0.00 N ATOM 277 CA GLN A 17 23.615 -4.789 0.140 1.00 0.00 C ATOM 278 C GLN A 17 24.216 -3.519 0.743 1.00 0.00 C ATOM 279 O GLN A 17 24.190 -3.314 1.940 1.00 0.00 O ATOM 280 CB GLN A 17 24.715 -5.695 -0.414 1.00 0.00 C ATOM 281 CG GLN A 17 24.653 -7.058 0.280 1.00 0.00 C ATOM 282 CD GLN A 17 24.759 -6.867 1.794 1.00 0.00 C ATOM 283 OE1 GLN A 17 24.992 -5.772 2.266 1.00 0.00 O ATOM 284 NE2 GLN A 17 24.596 -7.895 2.581 1.00 0.00 N ATOM 0 H GLN A 17 23.127 -4.761 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 17 23.046 -5.284 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.592 -5.817 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.692 -5.238 -0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 17 23.719 -7.562 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.463 -7.695 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 17 24.400 -8.814 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 17 24.664 -7.779 3.592 1.00 0.00 H new ATOM 293 N PHE A 18 24.753 -2.659 -0.081 1.00 0.00 N ATOM 294 CA PHE A 18 25.347 -1.397 0.448 1.00 0.00 C ATOM 295 C PHE A 18 24.243 -0.498 1.014 1.00 0.00 C ATOM 296 O PHE A 18 24.254 -0.144 2.176 1.00 0.00 O ATOM 297 CB PHE A 18 26.018 -0.732 -0.754 1.00 0.00 C ATOM 298 CG PHE A 18 27.176 -1.581 -1.220 1.00 0.00 C ATOM 299 CD1 PHE A 18 28.432 -1.444 -0.617 1.00 0.00 C ATOM 300 CD2 PHE A 18 26.994 -2.504 -2.257 1.00 0.00 C ATOM 301 CE1 PHE A 18 29.506 -2.231 -1.051 1.00 0.00 C ATOM 302 CE2 PHE A 18 28.068 -3.291 -2.690 1.00 0.00 C ATOM 303 CZ PHE A 18 29.324 -3.154 -2.087 1.00 0.00 C ATOM 0 H PHE A 18 24.806 -2.775 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 18 26.057 -1.581 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.298 -0.606 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.370 0.263 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.573 -0.732 0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.025 -2.609 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 18 30.475 -2.126 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 18 27.928 -4.004 -3.489 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.153 -3.761 -2.421 1.00 0.00 H new ATOM 313 N ARG A 19 23.287 -0.130 0.203 1.00 0.00 N ATOM 314 CA ARG A 19 22.183 0.741 0.701 1.00 0.00 C ATOM 315 C ARG A 19 21.714 0.251 2.074 1.00 0.00 C ATOM 316 O ARG A 19 21.804 0.957 3.060 1.00 0.00 O ATOM 317 CB ARG A 19 21.065 0.597 -0.333 1.00 0.00 C ATOM 318 CG ARG A 19 19.902 1.518 0.043 1.00 0.00 C ATOM 319 CD ARG A 19 20.144 2.912 -0.540 1.00 0.00 C ATOM 320 NE ARG A 19 19.311 3.826 0.289 1.00 0.00 N ATOM 321 CZ ARG A 19 19.296 5.106 0.036 1.00 0.00 C ATOM 322 NH1 ARG A 19 19.353 5.528 -1.198 1.00 0.00 N ATOM 323 NH2 ARG A 19 19.224 5.966 1.016 1.00 0.00 N ATOM 0 H ARG A 19 23.223 -0.394 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 19 22.492 1.780 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.438 0.851 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.725 -0.438 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.965 1.111 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.807 1.577 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.198 3.184 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.854 2.957 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 19 18.752 3.451 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.409 4.857 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.341 6.529 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.179 5.637 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.212 6.966 0.817 1.00 0.00 H new ATOM 337 N GLU A 20 21.221 -0.955 2.147 1.00 0.00 N ATOM 338 CA GLU A 20 20.758 -1.489 3.459 1.00 0.00 C ATOM 339 C GLU A 20 21.803 -1.183 4.533 1.00 0.00 C ATOM 340 O GLU A 20 21.494 -0.670 5.592 1.00 0.00 O ATOM 341 CB GLU A 20 20.626 -2.998 3.248 1.00 0.00 C ATOM 342 CG GLU A 20 20.035 -3.642 4.503 1.00 0.00 C ATOM 343 CD GLU A 20 20.012 -5.162 4.335 1.00 0.00 C ATOM 344 OE1 GLU A 20 20.390 -5.626 3.271 1.00 0.00 O ATOM 345 OE2 GLU A 20 19.618 -5.836 5.272 1.00 0.00 O ATOM 0 H GLU A 20 21.119 -1.592 1.357 1.00 0.00 H new ATOM 0 HA GLU A 20 19.818 -1.045 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.988 -3.201 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.602 -3.432 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.628 -3.371 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.025 -3.269 4.675 1.00 0.00 H new ATOM 352 N ARG A 21 23.044 -1.483 4.261 1.00 0.00 N ATOM 353 CA ARG A 21 24.114 -1.200 5.257 1.00 0.00 C ATOM 354 C ARG A 21 24.107 0.288 5.610 1.00 0.00 C ATOM 355 O ARG A 21 24.251 0.666 6.756 1.00 0.00 O ATOM 356 CB ARG A 21 25.418 -1.581 4.555 1.00 0.00 C ATOM 357 CG ARG A 21 25.874 -2.961 5.033 1.00 0.00 C ATOM 358 CD ARG A 21 24.704 -3.944 4.951 1.00 0.00 C ATOM 359 NE ARG A 21 25.179 -5.166 5.658 1.00 0.00 N ATOM 360 CZ ARG A 21 24.481 -6.267 5.600 1.00 0.00 C ATOM 361 NH1 ARG A 21 23.232 -6.228 5.225 1.00 0.00 N ATOM 362 NH2 ARG A 21 25.033 -7.407 5.915 1.00 0.00 N ATOM 0 H ARG A 21 23.362 -1.912 3.392 1.00 0.00 H new ATOM 0 HA ARG A 21 23.980 -1.753 6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 21 25.272 -1.589 3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 21 26.187 -0.839 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 21 26.703 -3.314 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 21 26.240 -2.900 6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 21 23.811 -3.536 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 21 24.444 -4.163 3.915 1.00 0.00 H new ATOM 0 HE ARG A 21 26.050 -5.142 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 21 22.801 -5.337 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 21 22.686 -7.088 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 21 26.010 -7.437 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 21 24.487 -8.268 5.870 1.00 0.00 H new ATOM 376 N ASN A 22 23.933 1.136 4.633 1.00 0.00 N ATOM 377 CA ASN A 22 23.908 2.599 4.914 1.00 0.00 C ATOM 378 C ASN A 22 22.933 2.889 6.056 1.00 0.00 C ATOM 379 O ASN A 22 23.272 3.540 7.024 1.00 0.00 O ATOM 380 CB ASN A 22 23.426 3.247 3.616 1.00 0.00 C ATOM 381 CG ASN A 22 23.829 4.723 3.602 1.00 0.00 C ATOM 382 OD1 ASN A 22 22.987 5.594 3.505 1.00 0.00 O ATOM 383 ND2 ASN A 22 25.090 5.043 3.698 1.00 0.00 N ATOM 0 H ASN A 22 23.807 0.879 3.654 1.00 0.00 H new ATOM 0 HA ASN A 22 24.882 2.982 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 22 23.859 2.733 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 22 22.343 3.154 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 22 25.369 6.024 3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 22 25.797 4.312 3.779 1.00 0.00 H new ATOM 390 N GLU A 23 21.726 2.402 5.956 1.00 0.00 N ATOM 391 CA GLU A 23 20.739 2.645 7.046 1.00 0.00 C ATOM 392 C GLU A 23 21.322 2.169 8.378 1.00 0.00 C ATOM 393 O GLU A 23 21.234 2.845 9.385 1.00 0.00 O ATOM 394 CB GLU A 23 19.511 1.816 6.667 1.00 0.00 C ATOM 395 CG GLU A 23 18.300 2.307 7.464 1.00 0.00 C ATOM 396 CD GLU A 23 17.014 1.892 6.748 1.00 0.00 C ATOM 397 OE1 GLU A 23 17.109 1.152 5.783 1.00 0.00 O ATOM 398 OE2 GLU A 23 15.955 2.321 7.176 1.00 0.00 O ATOM 0 H GLU A 23 21.382 1.849 5.171 1.00 0.00 H new ATOM 0 HA GLU A 23 20.489 3.700 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 23 19.316 1.903 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 23 19.693 0.761 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.320 1.888 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 18.336 3.391 7.569 1.00 0.00 H new ATOM 405 N ALA A 24 21.926 1.011 8.387 1.00 0.00 N ATOM 406 CA ALA A 24 22.525 0.493 9.650 1.00 0.00 C ATOM 407 C ALA A 24 23.643 1.428 10.116 1.00 0.00 C ATOM 408 O ALA A 24 23.822 1.660 11.295 1.00 0.00 O ATOM 409 CB ALA A 24 23.090 -0.880 9.288 1.00 0.00 C ATOM 0 H ALA A 24 22.030 0.402 7.575 1.00 0.00 H new ATOM 0 HA ALA A 24 21.799 0.431 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 24 23.550 -1.328 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 24 22.285 -1.523 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 23.839 -0.770 8.504 1.00 0.00 H new ATOM 415 N LEU A 25 24.393 1.970 9.195 1.00 0.00 N ATOM 416 CA LEU A 25 25.496 2.894 9.581 1.00 0.00 C ATOM 417 C LEU A 25 24.936 4.063 10.395 1.00 0.00 C ATOM 418 O LEU A 25 25.446 4.403 11.444 1.00 0.00 O ATOM 419 CB LEU A 25 26.077 3.389 8.256 1.00 0.00 C ATOM 420 CG LEU A 25 27.046 4.542 8.519 1.00 0.00 C ATOM 421 CD1 LEU A 25 28.062 4.622 7.379 1.00 0.00 C ATOM 422 CD2 LEU A 25 26.264 5.856 8.596 1.00 0.00 C ATOM 0 H LEU A 25 24.289 1.813 8.193 1.00 0.00 H new ATOM 0 HA LEU A 25 26.251 2.408 10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 25 26.594 2.575 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 25 25.275 3.719 7.596 1.00 0.00 H new ATOM 0 HG LEU A 25 27.567 4.372 9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 28.754 5.444 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 25 28.618 3.686 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 25 27.540 4.793 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 26.953 6.679 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 25 25.744 6.026 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.537 5.800 9.406 1.00 0.00 H new ATOM 434 N GLU A 26 23.884 4.675 9.922 1.00 0.00 N ATOM 435 CA GLU A 26 23.287 5.815 10.673 1.00 0.00 C ATOM 436 C GLU A 26 22.903 5.363 12.084 1.00 0.00 C ATOM 437 O GLU A 26 23.325 5.937 13.067 1.00 0.00 O ATOM 438 CB GLU A 26 22.041 6.207 9.878 1.00 0.00 C ATOM 439 CG GLU A 26 22.423 7.219 8.796 1.00 0.00 C ATOM 440 CD GLU A 26 21.411 7.149 7.651 1.00 0.00 C ATOM 441 OE1 GLU A 26 20.225 7.196 7.932 1.00 0.00 O ATOM 442 OE2 GLU A 26 21.839 7.049 6.513 1.00 0.00 O ATOM 0 H GLU A 26 23.413 4.435 9.050 1.00 0.00 H new ATOM 0 HA GLU A 26 23.978 6.651 10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.594 5.323 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.292 6.636 10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.445 8.225 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.425 7.008 8.423 1.00 0.00 H new ATOM 449 N LEU A 27 22.110 4.332 12.189 1.00 0.00 N ATOM 450 CA LEU A 27 21.707 3.839 13.537 1.00 0.00 C ATOM 451 C LEU A 27 22.916 3.231 14.250 1.00 0.00 C ATOM 452 O LEU A 27 22.973 3.175 15.462 1.00 0.00 O ATOM 453 CB LEU A 27 20.646 2.771 13.269 1.00 0.00 C ATOM 454 CG LEU A 27 19.255 3.396 13.375 1.00 0.00 C ATOM 455 CD1 LEU A 27 18.282 2.631 12.476 1.00 0.00 C ATOM 456 CD2 LEU A 27 18.772 3.323 14.825 1.00 0.00 C ATOM 0 H LEU A 27 21.724 3.811 11.402 1.00 0.00 H new ATOM 0 HA LEU A 27 21.325 4.636 14.175 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.789 2.342 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.746 1.956 13.986 1.00 0.00 H new ATOM 0 HG LEU A 27 19.300 4.438 13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.290 3.076 12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 18.625 2.682 11.443 1.00 0.00 H new ATOM 0 HD13 LEU A 27 18.237 1.589 12.793 1.00 0.00 H new ATOM 0 HD21 LEU A 27 17.780 3.769 14.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.727 2.281 15.141 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.464 3.867 15.467 1.00 0.00 H new ATOM 468 N LYS A 28 23.887 2.780 13.503 1.00 0.00 N ATOM 469 CA LYS A 28 25.097 2.181 14.132 1.00 0.00 C ATOM 470 C LYS A 28 26.008 3.288 14.668 1.00 0.00 C ATOM 471 O LYS A 28 26.702 3.116 15.650 1.00 0.00 O ATOM 472 CB LYS A 28 25.788 1.411 13.004 1.00 0.00 C ATOM 473 CG LYS A 28 27.208 1.035 13.432 1.00 0.00 C ATOM 474 CD LYS A 28 27.179 0.438 14.840 1.00 0.00 C ATOM 475 CE LYS A 28 28.103 -0.781 14.898 1.00 0.00 C ATOM 476 NZ LYS A 28 27.321 -1.820 15.623 1.00 0.00 N ATOM 0 H LYS A 28 23.894 2.801 12.483 1.00 0.00 H new ATOM 0 HA LYS A 28 24.853 1.533 14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.220 0.512 12.763 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.819 2.020 12.101 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.632 0.317 12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 28 27.850 1.916 13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.497 1.183 15.569 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.161 0.149 15.103 1.00 0.00 H new ATOM 0 HE2 LYS A 28 28.376 -1.118 13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 28 29.031 -0.549 15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 27.888 -2.688 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 27.081 -1.474 16.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 26.447 -2.025 15.099 1.00 0.00 H new ATOM 490 N ASP A 29 26.007 4.427 14.030 1.00 0.00 N ATOM 491 CA ASP A 29 26.867 5.548 14.502 1.00 0.00 C ATOM 492 C ASP A 29 26.285 6.156 15.780 1.00 0.00 C ATOM 493 O ASP A 29 26.979 6.357 16.757 1.00 0.00 O ATOM 494 CB ASP A 29 26.843 6.569 13.365 1.00 0.00 C ATOM 495 CG ASP A 29 28.229 7.196 13.210 1.00 0.00 C ATOM 496 OD1 ASP A 29 29.132 6.768 13.910 1.00 0.00 O ATOM 497 OD2 ASP A 29 28.364 8.094 12.395 1.00 0.00 O ATOM 0 H ASP A 29 25.447 4.629 13.202 1.00 0.00 H new ATOM 0 HA ASP A 29 27.880 5.222 14.737 1.00 0.00 H new ATOM 0 HB2 ASP A 29 26.545 6.085 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 29 26.104 7.343 13.573 1.00 0.00 H new ATOM 502 N ALA A 30 25.013 6.449 15.780 1.00 0.00 N ATOM 503 CA ALA A 30 24.383 7.042 16.994 1.00 0.00 C ATOM 504 C ALA A 30 24.456 6.053 18.161 1.00 0.00 C ATOM 505 O ALA A 30 24.206 6.401 19.298 1.00 0.00 O ATOM 506 CB ALA A 30 22.929 7.300 16.600 1.00 0.00 C ATOM 0 H ALA A 30 24.383 6.303 14.991 1.00 0.00 H new ATOM 0 HA ALA A 30 24.885 7.954 17.317 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.396 7.738 17.444 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.898 7.987 15.755 1.00 0.00 H new ATOM 0 HB3 ALA A 30 22.455 6.359 16.320 1.00 0.00 H new ATOM 512 N GLN A 31 24.798 4.824 17.887 1.00 0.00 N ATOM 513 CA GLN A 31 24.888 3.814 18.981 1.00 0.00 C ATOM 514 C GLN A 31 26.354 3.495 19.286 1.00 0.00 C ATOM 515 O GLN A 31 26.818 3.660 20.397 1.00 0.00 O ATOM 516 CB GLN A 31 24.171 2.577 18.439 1.00 0.00 C ATOM 517 CG GLN A 31 23.299 1.967 19.539 1.00 0.00 C ATOM 518 CD GLN A 31 23.756 0.533 19.816 1.00 0.00 C ATOM 519 OE1 GLN A 31 23.756 0.091 20.948 1.00 0.00 O ATOM 520 NE2 GLN A 31 24.148 -0.217 18.823 1.00 0.00 N ATOM 0 H GLN A 31 25.019 4.475 16.954 1.00 0.00 H new ATOM 0 HA GLN A 31 24.441 4.169 19.909 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.556 2.848 17.581 1.00 0.00 H new ATOM 0 HB3 GLN A 31 24.900 1.845 18.091 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.370 2.565 20.448 1.00 0.00 H new ATOM 0 HG3 GLN A 31 22.253 1.974 19.234 1.00 0.00 H new ATOM 0 HE21 GLN A 31 24.148 0.154 17.873 1.00 0.00 H new ATOM 0 HE22 GLN A 31 24.454 -1.174 18.997 1.00 0.00 H new ATOM 606 N TYR B 4 23.959 3.551 -12.830 1.00 0.00 N ATOM 607 CA TYR B 4 24.575 2.887 -11.646 1.00 0.00 C ATOM 608 C TYR B 4 24.183 3.624 -10.363 1.00 0.00 C ATOM 609 O TYR B 4 23.382 4.537 -10.380 1.00 0.00 O ATOM 610 CB TYR B 4 26.083 2.981 -11.880 1.00 0.00 C ATOM 611 CG TYR B 4 26.460 4.415 -12.164 1.00 0.00 C ATOM 612 CD1 TYR B 4 26.584 5.328 -11.110 1.00 0.00 C ATOM 613 CD2 TYR B 4 26.685 4.832 -13.482 1.00 0.00 C ATOM 614 CE1 TYR B 4 26.933 6.658 -11.373 1.00 0.00 C ATOM 615 CE2 TYR B 4 27.034 6.162 -13.745 1.00 0.00 C ATOM 616 CZ TYR B 4 27.158 7.075 -12.690 1.00 0.00 C ATOM 617 OH TYR B 4 27.502 8.386 -12.950 1.00 0.00 O ATOM 0 HA TYR B 4 24.244 1.855 -11.532 1.00 0.00 H new ATOM 0 HB2 TYR B 4 26.621 2.619 -11.004 1.00 0.00 H new ATOM 0 HB3 TYR B 4 26.372 2.345 -12.717 1.00 0.00 H new ATOM 0 HD1 TYR B 4 26.410 5.006 -10.094 1.00 0.00 H new ATOM 0 HD2 TYR B 4 26.589 4.128 -14.295 1.00 0.00 H new ATOM 0 HE1 TYR B 4 27.029 7.362 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR B 4 27.208 6.484 -14.761 1.00 0.00 H new ATOM 0 HH TYR B 4 27.623 8.507 -13.915 1.00 0.00 H new ATOM 627 N PHE B 5 24.742 3.235 -9.249 1.00 0.00 N ATOM 628 CA PHE B 5 24.401 3.914 -7.967 1.00 0.00 C ATOM 629 C PHE B 5 25.670 4.452 -7.301 1.00 0.00 C ATOM 630 O PHE B 5 26.772 4.070 -7.641 1.00 0.00 O ATOM 631 CB PHE B 5 23.760 2.830 -7.101 1.00 0.00 C ATOM 632 CG PHE B 5 22.684 2.124 -7.890 1.00 0.00 C ATOM 633 CD1 PHE B 5 21.617 2.853 -8.427 1.00 0.00 C ATOM 634 CD2 PHE B 5 22.753 0.739 -8.083 1.00 0.00 C ATOM 635 CE1 PHE B 5 20.620 2.198 -9.159 1.00 0.00 C ATOM 636 CE2 PHE B 5 21.755 0.084 -8.814 1.00 0.00 C ATOM 637 CZ PHE B 5 20.689 0.813 -9.352 1.00 0.00 C ATOM 0 H PHE B 5 25.420 2.477 -9.172 1.00 0.00 H new ATOM 0 HA PHE B 5 23.734 4.764 -8.115 1.00 0.00 H new ATOM 0 HB2 PHE B 5 24.516 2.115 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE B 5 23.334 3.274 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE B 5 21.563 3.921 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE B 5 23.576 0.176 -7.668 1.00 0.00 H new ATOM 0 HE1 PHE B 5 19.797 2.761 -9.575 1.00 0.00 H new ATOM 0 HE2 PHE B 5 21.808 -0.984 -8.963 1.00 0.00 H new ATOM 0 HZ PHE B 5 19.919 0.307 -9.916 1.00 0.00 H new ATOM 647 N THR B 6 25.522 5.334 -6.352 1.00 0.00 N ATOM 648 CA THR B 6 26.718 5.896 -5.661 1.00 0.00 C ATOM 649 C THR B 6 26.355 6.294 -4.228 1.00 0.00 C ATOM 650 O THR B 6 25.396 7.002 -3.995 1.00 0.00 O ATOM 651 CB THR B 6 27.107 7.126 -6.482 1.00 0.00 C ATOM 652 OG1 THR B 6 27.676 6.710 -7.715 1.00 0.00 O ATOM 653 CG2 THR B 6 28.124 7.964 -5.705 1.00 0.00 C ATOM 0 H THR B 6 24.624 5.691 -6.024 1.00 0.00 H new ATOM 0 HA THR B 6 27.536 5.179 -5.594 1.00 0.00 H new ATOM 0 HB THR B 6 26.219 7.728 -6.675 1.00 0.00 H new ATOM 0 HG1 THR B 6 28.613 6.995 -7.755 1.00 0.00 H new ATOM 0 HG21 THR B 6 28.399 8.840 -6.293 1.00 0.00 H new ATOM 0 HG22 THR B 6 27.685 8.285 -4.760 1.00 0.00 H new ATOM 0 HG23 THR B 6 29.013 7.366 -5.508 1.00 0.00 H new ATOM 661 N LEU B 7 27.110 5.840 -3.266 1.00 0.00 N ATOM 662 CA LEU B 7 26.801 6.190 -1.850 1.00 0.00 C ATOM 663 C LEU B 7 27.991 6.904 -1.204 1.00 0.00 C ATOM 664 O LEU B 7 29.101 6.854 -1.696 1.00 0.00 O ATOM 665 CB LEU B 7 26.541 4.850 -1.160 1.00 0.00 C ATOM 666 CG LEU B 7 25.034 4.636 -1.012 1.00 0.00 C ATOM 667 CD1 LEU B 7 24.762 3.190 -0.594 1.00 0.00 C ATOM 668 CD2 LEU B 7 24.488 5.586 0.057 1.00 0.00 C ATOM 0 H LEU B 7 27.926 5.243 -3.398 1.00 0.00 H new ATOM 0 HA LEU B 7 25.948 6.864 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU B 7 26.979 4.039 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU B 7 27.019 4.834 -0.181 1.00 0.00 H new ATOM 0 HG LEU B 7 24.543 4.837 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU B 7 23.688 3.038 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU B 7 25.152 2.512 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU B 7 25.252 2.988 0.358 1.00 0.00 H new ATOM 0 HD21 LEU B 7 23.414 5.435 0.164 1.00 0.00 H new ATOM 0 HD22 LEU B 7 24.979 5.384 1.009 1.00 0.00 H new ATOM 0 HD23 LEU B 7 24.682 6.617 -0.239 1.00 0.00 H new ATOM 680 N GLN B 8 27.767 7.567 -0.103 1.00 0.00 N ATOM 681 CA GLN B 8 28.882 8.284 0.580 1.00 0.00 C ATOM 682 C GLN B 8 28.909 7.916 2.066 1.00 0.00 C ATOM 683 O GLN B 8 27.896 7.932 2.736 1.00 0.00 O ATOM 684 CB GLN B 8 28.567 9.770 0.401 1.00 0.00 C ATOM 685 CG GLN B 8 28.148 10.034 -1.047 1.00 0.00 C ATOM 686 CD GLN B 8 28.781 11.340 -1.532 1.00 0.00 C ATOM 687 OE1 GLN B 8 29.943 11.594 -1.283 1.00 0.00 O ATOM 688 NE2 GLN B 8 28.061 12.184 -2.219 1.00 0.00 N ATOM 0 H GLN B 8 26.859 7.644 0.354 1.00 0.00 H new ATOM 0 HA GLN B 8 29.857 8.023 0.168 1.00 0.00 H new ATOM 0 HB2 GLN B 8 27.769 10.068 1.081 1.00 0.00 H new ATOM 0 HB3 GLN B 8 29.441 10.371 0.653 1.00 0.00 H new ATOM 0 HG2 GLN B 8 28.462 9.207 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN B 8 27.062 10.096 -1.117 1.00 0.00 H new ATOM 0 HE21 GLN B 8 27.086 11.970 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN B 8 28.474 13.057 -2.547 1.00 0.00 H new ATOM 697 N ILE B 9 30.059 7.583 2.585 1.00 0.00 N ATOM 698 CA ILE B 9 30.143 7.213 4.027 1.00 0.00 C ATOM 699 C ILE B 9 31.070 8.178 4.771 1.00 0.00 C ATOM 700 O ILE B 9 31.927 8.809 4.183 1.00 0.00 O ATOM 701 CB ILE B 9 30.719 5.797 4.041 1.00 0.00 C ATOM 702 CG1 ILE B 9 29.726 4.837 3.382 1.00 0.00 C ATOM 703 CG2 ILE B 9 30.966 5.361 5.485 1.00 0.00 C ATOM 704 CD1 ILE B 9 30.300 4.339 2.054 1.00 0.00 C ATOM 0 H ILE B 9 30.942 7.551 2.075 1.00 0.00 H new ATOM 0 HA ILE B 9 29.173 7.263 4.521 1.00 0.00 H new ATOM 0 HB ILE B 9 31.660 5.782 3.491 1.00 0.00 H new ATOM 0 HG12 ILE B 9 29.526 3.994 4.043 1.00 0.00 H new ATOM 0 HG13 ILE B 9 28.775 5.341 3.213 1.00 0.00 H new ATOM 0 HG21 ILE B 9 31.377 4.351 5.495 1.00 0.00 H new ATOM 0 HG22 ILE B 9 31.672 6.045 5.956 1.00 0.00 H new ATOM 0 HG23 ILE B 9 30.025 5.376 6.035 1.00 0.00 H new ATOM 0 HD11 ILE B 9 29.592 3.655 1.585 1.00 0.00 H new ATOM 0 HD12 ILE B 9 30.477 5.188 1.393 1.00 0.00 H new ATOM 0 HD13 ILE B 9 31.240 3.819 2.236 1.00 0.00 H new ATOM 716 N ARG B 10 30.904 8.298 6.060 1.00 0.00 N ATOM 717 CA ARG B 10 31.774 9.222 6.843 1.00 0.00 C ATOM 718 C ARG B 10 32.264 8.532 8.119 1.00 0.00 C ATOM 719 O ARG B 10 32.429 9.155 9.148 1.00 0.00 O ATOM 720 CB ARG B 10 30.878 10.412 7.188 1.00 0.00 C ATOM 721 CG ARG B 10 29.618 9.914 7.899 1.00 0.00 C ATOM 722 CD ARG B 10 28.944 11.082 8.623 1.00 0.00 C ATOM 723 NE ARG B 10 28.035 11.688 7.611 1.00 0.00 N ATOM 724 CZ ARG B 10 27.675 12.938 7.722 1.00 0.00 C ATOM 725 NH1 ARG B 10 27.404 13.437 8.897 1.00 0.00 N ATOM 726 NH2 ARG B 10 27.587 13.689 6.658 1.00 0.00 N ATOM 0 H ARG B 10 30.203 7.796 6.605 1.00 0.00 H new ATOM 0 HA ARG B 10 32.660 9.527 6.286 1.00 0.00 H new ATOM 0 HB2 ARG B 10 31.416 11.112 7.827 1.00 0.00 H new ATOM 0 HB3 ARG B 10 30.607 10.952 6.281 1.00 0.00 H new ATOM 0 HG2 ARG B 10 28.930 9.474 7.177 1.00 0.00 H new ATOM 0 HG3 ARG B 10 29.876 9.131 8.612 1.00 0.00 H new ATOM 0 HD2 ARG B 10 28.390 10.738 9.496 1.00 0.00 H new ATOM 0 HD3 ARG B 10 29.679 11.805 8.976 1.00 0.00 H new ATOM 0 HE ARG B 10 27.694 11.126 6.831 1.00 0.00 H new ATOM 0 HH11 ARG B 10 27.473 12.850 9.729 1.00 0.00 H new ATOM 0 HH12 ARG B 10 27.123 14.414 8.984 1.00 0.00 H new ATOM 0 HH21 ARG B 10 27.799 13.299 5.740 1.00 0.00 H new ATOM 0 HH22 ARG B 10 27.306 14.666 6.745 1.00 0.00 H new ATOM 740 N GLY B 11 32.497 7.249 8.059 1.00 0.00 N ATOM 741 CA GLY B 11 32.976 6.522 9.269 1.00 0.00 C ATOM 742 C GLY B 11 33.762 5.281 8.842 1.00 0.00 C ATOM 743 O GLY B 11 33.308 4.494 8.036 1.00 0.00 O ATOM 0 H GLY B 11 32.377 6.673 7.226 1.00 0.00 H new ATOM 0 HA2 GLY B 11 33.607 7.175 9.872 1.00 0.00 H new ATOM 0 HA3 GLY B 11 32.129 6.233 9.891 1.00 0.00 H new ATOM 747 N ARG B 12 34.938 5.099 9.378 1.00 0.00 N ATOM 748 CA ARG B 12 35.752 3.907 9.002 1.00 0.00 C ATOM 749 C ARG B 12 35.072 2.626 9.493 1.00 0.00 C ATOM 750 O ARG B 12 34.789 1.729 8.724 1.00 0.00 O ATOM 751 CB ARG B 12 37.094 4.106 9.706 1.00 0.00 C ATOM 752 CG ARG B 12 38.223 3.604 8.803 1.00 0.00 C ATOM 753 CD ARG B 12 39.168 4.762 8.474 1.00 0.00 C ATOM 754 NE ARG B 12 40.531 4.163 8.490 1.00 0.00 N ATOM 755 CZ ARG B 12 41.580 4.925 8.338 1.00 0.00 C ATOM 756 NH1 ARG B 12 41.441 6.152 7.917 1.00 0.00 N ATOM 757 NH2 ARG B 12 42.769 4.459 8.607 1.00 0.00 N ATOM 0 H ARG B 12 35.370 5.723 10.059 1.00 0.00 H new ATOM 0 HA ARG B 12 35.869 3.810 7.923 1.00 0.00 H new ATOM 0 HB2 ARG B 12 37.242 5.161 9.939 1.00 0.00 H new ATOM 0 HB3 ARG B 12 37.104 3.566 10.653 1.00 0.00 H new ATOM 0 HG2 ARG B 12 38.771 2.803 9.300 1.00 0.00 H new ATOM 0 HG3 ARG B 12 37.810 3.186 7.885 1.00 0.00 H new ATOM 0 HD2 ARG B 12 38.938 5.194 7.500 1.00 0.00 H new ATOM 0 HD3 ARG B 12 39.080 5.564 9.207 1.00 0.00 H new ATOM 0 HE ARG B 12 40.645 3.158 8.620 1.00 0.00 H new ATOM 0 HH11 ARG B 12 40.512 6.517 7.706 1.00 0.00 H new ATOM 0 HH12 ARG B 12 42.261 6.747 7.799 1.00 0.00 H new ATOM 0 HH21 ARG B 12 42.878 3.500 8.936 1.00 0.00 H new ATOM 0 HH22 ARG B 12 43.589 5.054 8.488 1.00 0.00 H new ATOM 771 N GLU B 13 34.806 2.534 10.769 1.00 0.00 N ATOM 772 CA GLU B 13 34.143 1.309 11.303 1.00 0.00 C ATOM 773 C GLU B 13 33.004 0.884 10.374 1.00 0.00 C ATOM 774 O GLU B 13 32.825 -0.284 10.088 1.00 0.00 O ATOM 775 CB GLU B 13 33.596 1.717 12.671 1.00 0.00 C ATOM 776 CG GLU B 13 33.360 0.467 13.520 1.00 0.00 C ATOM 777 CD GLU B 13 32.702 0.864 14.843 1.00 0.00 C ATOM 778 OE1 GLU B 13 33.373 1.483 15.653 1.00 0.00 O ATOM 779 OE2 GLU B 13 31.540 0.541 15.025 1.00 0.00 O ATOM 0 H GLU B 13 35.018 3.251 11.462 1.00 0.00 H new ATOM 0 HA GLU B 13 34.828 0.465 11.376 1.00 0.00 H new ATOM 0 HB2 GLU B 13 34.299 2.382 13.172 1.00 0.00 H new ATOM 0 HB3 GLU B 13 32.664 2.270 12.552 1.00 0.00 H new ATOM 0 HG2 GLU B 13 32.724 -0.236 12.982 1.00 0.00 H new ATOM 0 HG3 GLU B 13 34.306 -0.040 13.710 1.00 0.00 H new ATOM 786 N ARG B 14 32.236 1.824 9.895 1.00 0.00 N ATOM 787 CA ARG B 14 31.115 1.474 8.979 1.00 0.00 C ATOM 788 C ARG B 14 31.646 1.297 7.556 1.00 0.00 C ATOM 789 O ARG B 14 31.324 0.343 6.876 1.00 0.00 O ATOM 790 CB ARG B 14 30.153 2.660 9.053 1.00 0.00 C ATOM 791 CG ARG B 14 29.294 2.541 10.313 1.00 0.00 C ATOM 792 CD ARG B 14 29.391 3.836 11.123 1.00 0.00 C ATOM 793 NE ARG B 14 30.678 3.731 11.866 1.00 0.00 N ATOM 794 CZ ARG B 14 30.673 3.512 13.152 1.00 0.00 C ATOM 795 NH1 ARG B 14 30.196 2.392 13.622 1.00 0.00 N ATOM 796 NH2 ARG B 14 31.148 4.412 13.969 1.00 0.00 N ATOM 0 H ARG B 14 32.337 2.818 10.098 1.00 0.00 H new ATOM 0 HA ARG B 14 30.624 0.541 9.257 1.00 0.00 H new ATOM 0 HB2 ARG B 14 30.712 3.595 9.068 1.00 0.00 H new ATOM 0 HB3 ARG B 14 29.518 2.683 8.168 1.00 0.00 H new ATOM 0 HG2 ARG B 14 28.256 2.347 10.041 1.00 0.00 H new ATOM 0 HG3 ARG B 14 29.629 1.697 10.916 1.00 0.00 H new ATOM 0 HD2 ARG B 14 29.381 4.710 10.472 1.00 0.00 H new ATOM 0 HD3 ARG B 14 28.548 3.938 11.806 1.00 0.00 H new ATOM 0 HE ARG B 14 31.563 3.830 11.369 1.00 0.00 H new ATOM 0 HH11 ARG B 14 29.827 1.687 12.984 1.00 0.00 H new ATOM 0 HH12 ARG B 14 30.192 2.221 14.628 1.00 0.00 H new ATOM 0 HH21 ARG B 14 31.523 5.287 13.602 1.00 0.00 H new ATOM 0 HH22 ARG B 14 31.144 4.241 14.975 1.00 0.00 H new ATOM 810 N PHE B 15 32.466 2.207 7.103 1.00 0.00 N ATOM 811 CA PHE B 15 33.022 2.082 5.727 1.00 0.00 C ATOM 812 C PHE B 15 33.622 0.688 5.538 1.00 0.00 C ATOM 813 O PHE B 15 33.362 0.018 4.558 1.00 0.00 O ATOM 814 CB PHE B 15 34.109 3.153 5.634 1.00 0.00 C ATOM 815 CG PHE B 15 34.605 3.238 4.210 1.00 0.00 C ATOM 816 CD1 PHE B 15 33.728 3.609 3.184 1.00 0.00 C ATOM 817 CD2 PHE B 15 35.942 2.945 3.916 1.00 0.00 C ATOM 818 CE1 PHE B 15 34.187 3.685 1.864 1.00 0.00 C ATOM 819 CE2 PHE B 15 36.402 3.021 2.596 1.00 0.00 C ATOM 820 CZ PHE B 15 35.524 3.391 1.570 1.00 0.00 C ATOM 0 H PHE B 15 32.773 3.028 7.625 1.00 0.00 H new ATOM 0 HA PHE B 15 32.262 2.214 4.957 1.00 0.00 H new ATOM 0 HB2 PHE B 15 33.713 4.118 5.952 1.00 0.00 H new ATOM 0 HB3 PHE B 15 34.933 2.910 6.305 1.00 0.00 H new ATOM 0 HD1 PHE B 15 32.697 3.837 3.411 1.00 0.00 H new ATOM 0 HD2 PHE B 15 36.619 2.660 4.708 1.00 0.00 H new ATOM 0 HE1 PHE B 15 33.510 3.970 1.072 1.00 0.00 H new ATOM 0 HE2 PHE B 15 37.433 2.794 2.369 1.00 0.00 H new ATOM 0 HZ PHE B 15 35.878 3.450 0.551 1.00 0.00 H new ATOM 830 N GLU B 16 34.416 0.242 6.474 1.00 0.00 N ATOM 831 CA GLU B 16 35.020 -1.114 6.347 1.00 0.00 C ATOM 832 C GLU B 16 33.952 -2.107 5.885 1.00 0.00 C ATOM 833 O GLU B 16 34.210 -2.990 5.091 1.00 0.00 O ATOM 834 CB GLU B 16 35.513 -1.467 7.751 1.00 0.00 C ATOM 835 CG GLU B 16 36.713 -0.589 8.109 1.00 0.00 C ATOM 836 CD GLU B 16 37.677 -1.378 8.996 1.00 0.00 C ATOM 837 OE1 GLU B 16 37.388 -1.518 10.174 1.00 0.00 O ATOM 838 OE2 GLU B 16 38.688 -1.830 8.484 1.00 0.00 O ATOM 0 H GLU B 16 34.671 0.756 7.317 1.00 0.00 H new ATOM 0 HA GLU B 16 35.831 -1.145 5.619 1.00 0.00 H new ATOM 0 HB2 GLU B 16 34.713 -1.320 8.476 1.00 0.00 H new ATOM 0 HB3 GLU B 16 35.793 -2.519 7.795 1.00 0.00 H new ATOM 0 HG2 GLU B 16 37.222 -0.263 7.202 1.00 0.00 H new ATOM 0 HG3 GLU B 16 36.378 0.309 8.627 1.00 0.00 H new ATOM 845 N GLN B 17 32.750 -1.959 6.372 1.00 0.00 N ATOM 846 CA GLN B 17 31.659 -2.884 5.957 1.00 0.00 C ATOM 847 C GLN B 17 31.336 -2.666 4.477 1.00 0.00 C ATOM 848 O GLN B 17 31.210 -3.603 3.714 1.00 0.00 O ATOM 849 CB GLN B 17 30.463 -2.505 6.830 1.00 0.00 C ATOM 850 CG GLN B 17 30.034 -3.715 7.662 1.00 0.00 C ATOM 851 CD GLN B 17 29.728 -4.891 6.734 1.00 0.00 C ATOM 852 OE1 GLN B 17 29.728 -4.744 5.528 1.00 0.00 O ATOM 853 NE2 GLN B 17 29.465 -6.061 7.248 1.00 0.00 N ATOM 0 H GLN B 17 32.477 -1.237 7.039 1.00 0.00 H new ATOM 0 HA GLN B 17 31.930 -3.933 6.079 1.00 0.00 H new ATOM 0 HB2 GLN B 17 30.726 -1.675 7.485 1.00 0.00 H new ATOM 0 HB3 GLN B 17 29.636 -2.168 6.205 1.00 0.00 H new ATOM 0 HG2 GLN B 17 30.824 -3.987 8.362 1.00 0.00 H new ATOM 0 HG3 GLN B 17 29.154 -3.468 8.255 1.00 0.00 H new ATOM 0 HE21 GLN B 17 29.465 -6.185 8.260 1.00 0.00 H new ATOM 0 HE22 GLN B 17 29.260 -6.852 6.637 1.00 0.00 H new ATOM 862 N PHE B 18 31.210 -1.433 4.065 1.00 0.00 N ATOM 863 CA PHE B 18 30.905 -1.153 2.634 1.00 0.00 C ATOM 864 C PHE B 18 32.102 -1.539 1.762 1.00 0.00 C ATOM 865 O PHE B 18 31.994 -2.359 0.871 1.00 0.00 O ATOM 866 CB PHE B 18 30.654 0.354 2.565 1.00 0.00 C ATOM 867 CG PHE B 18 29.404 0.694 3.340 1.00 0.00 C ATOM 868 CD1 PHE B 18 28.150 0.597 2.725 1.00 0.00 C ATOM 869 CD2 PHE B 18 29.499 1.107 4.674 1.00 0.00 C ATOM 870 CE1 PHE B 18 26.991 0.912 3.445 1.00 0.00 C ATOM 871 CE2 PHE B 18 28.340 1.422 5.394 1.00 0.00 C ATOM 872 CZ PHE B 18 27.086 1.325 4.779 1.00 0.00 C ATOM 0 H PHE B 18 31.305 -0.609 4.658 1.00 0.00 H new ATOM 0 HA PHE B 18 30.047 -1.721 2.274 1.00 0.00 H new ATOM 0 HB2 PHE B 18 31.507 0.894 2.975 1.00 0.00 H new ATOM 0 HB3 PHE B 18 30.547 0.668 1.527 1.00 0.00 H new ATOM 0 HD1 PHE B 18 28.077 0.279 1.695 1.00 0.00 H new ATOM 0 HD2 PHE B 18 30.466 1.183 5.148 1.00 0.00 H new ATOM 0 HE1 PHE B 18 26.024 0.836 2.971 1.00 0.00 H new ATOM 0 HE2 PHE B 18 28.413 1.740 6.424 1.00 0.00 H new ATOM 0 HZ PHE B 18 26.192 1.569 5.334 1.00 0.00 H new ATOM 882 N ARG B 19 33.245 -0.961 2.016 1.00 0.00 N ATOM 883 CA ARG B 19 34.446 -1.305 1.203 1.00 0.00 C ATOM 884 C ARG B 19 34.525 -2.821 1.015 1.00 0.00 C ATOM 885 O ARG B 19 34.469 -3.322 -0.090 1.00 0.00 O ATOM 886 CB ARG B 19 35.639 -0.802 2.017 1.00 0.00 C ATOM 887 CG ARG B 19 36.929 -1.039 1.231 1.00 0.00 C ATOM 888 CD ARG B 19 37.181 0.143 0.291 1.00 0.00 C ATOM 889 NE ARG B 19 38.080 -0.394 -0.768 1.00 0.00 N ATOM 890 CZ ARG B 19 38.491 0.384 -1.732 1.00 0.00 C ATOM 891 NH1 ARG B 19 38.764 1.637 -1.489 1.00 0.00 N ATOM 892 NH2 ARG B 19 38.629 -0.091 -2.940 1.00 0.00 N ATOM 0 H ARG B 19 33.399 -0.268 2.749 1.00 0.00 H new ATOM 0 HA ARG B 19 34.419 -0.856 0.210 1.00 0.00 H new ATOM 0 HB2 ARG B 19 35.523 0.260 2.234 1.00 0.00 H new ATOM 0 HB3 ARG B 19 35.684 -1.320 2.975 1.00 0.00 H new ATOM 0 HG2 ARG B 19 37.768 -1.157 1.917 1.00 0.00 H new ATOM 0 HG3 ARG B 19 36.853 -1.963 0.658 1.00 0.00 H new ATOM 0 HD2 ARG B 19 36.249 0.516 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG B 19 37.646 0.976 0.819 1.00 0.00 H new ATOM 0 HE ARG B 19 38.375 -1.370 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG B 19 38.656 2.009 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG B 19 39.085 2.244 -2.243 1.00 0.00 H new ATOM 0 HH21 ARG B 19 38.416 -1.070 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG B 19 38.950 0.517 -3.693 1.00 0.00 H new ATOM 906 N GLU B 20 34.646 -3.555 2.088 1.00 0.00 N ATOM 907 CA GLU B 20 34.716 -5.038 1.966 1.00 0.00 C ATOM 908 C GLU B 20 33.630 -5.526 1.007 1.00 0.00 C ATOM 909 O GLU B 20 33.884 -6.296 0.102 1.00 0.00 O ATOM 910 CB GLU B 20 34.464 -5.565 3.379 1.00 0.00 C ATOM 911 CG GLU B 20 34.628 -7.086 3.396 1.00 0.00 C ATOM 912 CD GLU B 20 34.258 -7.624 4.779 1.00 0.00 C ATOM 913 OE1 GLU B 20 33.954 -6.819 5.644 1.00 0.00 O ATOM 914 OE2 GLU B 20 34.286 -8.832 4.951 1.00 0.00 O ATOM 0 H GLU B 20 34.699 -3.193 3.040 1.00 0.00 H new ATOM 0 HA GLU B 20 35.673 -5.382 1.573 1.00 0.00 H new ATOM 0 HB2 GLU B 20 35.162 -5.106 4.079 1.00 0.00 H new ATOM 0 HB3 GLU B 20 33.460 -5.294 3.706 1.00 0.00 H new ATOM 0 HG2 GLU B 20 33.992 -7.539 2.636 1.00 0.00 H new ATOM 0 HG3 GLU B 20 35.656 -7.354 3.153 1.00 0.00 H new ATOM 921 N ARG B 21 32.419 -5.074 1.194 1.00 0.00 N ATOM 922 CA ARG B 21 31.316 -5.502 0.289 1.00 0.00 C ATOM 923 C ARG B 21 31.670 -5.147 -1.157 1.00 0.00 C ATOM 924 O ARG B 21 31.442 -5.916 -2.070 1.00 0.00 O ATOM 925 CB ARG B 21 30.092 -4.711 0.753 1.00 0.00 C ATOM 926 CG ARG B 21 29.202 -5.604 1.619 1.00 0.00 C ATOM 927 CD ARG B 21 30.051 -6.294 2.690 1.00 0.00 C ATOM 928 NE ARG B 21 29.144 -7.303 3.304 1.00 0.00 N ATOM 929 CZ ARG B 21 29.510 -7.939 4.384 1.00 0.00 C ATOM 930 NH1 ARG B 21 30.766 -7.958 4.738 1.00 0.00 N ATOM 931 NH2 ARG B 21 28.618 -8.557 5.109 1.00 0.00 N ATOM 0 H ARG B 21 32.147 -4.427 1.934 1.00 0.00 H new ATOM 0 HA ARG B 21 31.138 -6.577 0.324 1.00 0.00 H new ATOM 0 HB2 ARG B 21 30.406 -3.835 1.320 1.00 0.00 H new ATOM 0 HB3 ARG B 21 29.532 -4.349 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG B 21 28.420 -5.008 2.089 1.00 0.00 H new ATOM 0 HG3 ARG B 21 28.705 -6.350 0.999 1.00 0.00 H new ATOM 0 HD2 ARG B 21 30.931 -6.767 2.253 1.00 0.00 H new ATOM 0 HD3 ARG B 21 30.408 -5.580 3.432 1.00 0.00 H new ATOM 0 HE ARG B 21 28.237 -7.497 2.881 1.00 0.00 H new ATOM 0 HH11 ARG B 21 31.463 -7.476 4.171 1.00 0.00 H new ATOM 0 HH12 ARG B 21 31.051 -8.455 5.582 1.00 0.00 H new ATOM 0 HH21 ARG B 21 27.637 -8.543 4.832 1.00 0.00 H new ATOM 0 HH22 ARG B 21 28.902 -9.054 5.953 1.00 0.00 H new ATOM 945 N ASN B 22 32.233 -3.988 -1.371 1.00 0.00 N ATOM 946 CA ASN B 22 32.610 -3.586 -2.756 1.00 0.00 C ATOM 947 C ASN B 22 33.417 -4.704 -3.418 1.00 0.00 C ATOM 948 O ASN B 22 33.112 -5.141 -4.509 1.00 0.00 O ATOM 949 CB ASN B 22 33.466 -2.330 -2.587 1.00 0.00 C ATOM 950 CG ASN B 22 33.492 -1.548 -3.901 1.00 0.00 C ATOM 951 OD1 ASN B 22 34.544 -1.314 -4.461 1.00 0.00 O ATOM 952 ND2 ASN B 22 32.370 -1.131 -4.421 1.00 0.00 N ATOM 0 H ASN B 22 32.448 -3.303 -0.647 1.00 0.00 H new ATOM 0 HA ASN B 22 31.741 -3.399 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN B 22 33.062 -1.707 -1.789 1.00 0.00 H new ATOM 0 HB3 ASN B 22 34.480 -2.605 -2.295 1.00 0.00 H new ATOM 0 HD21 ASN B 22 32.377 -0.609 -5.297 1.00 0.00 H new ATOM 0 HD22 ASN B 22 31.486 -1.327 -3.951 1.00 0.00 H new ATOM 959 N GLU B 23 34.441 -5.177 -2.761 1.00 0.00 N ATOM 960 CA GLU B 23 35.258 -6.274 -3.353 1.00 0.00 C ATOM 961 C GLU B 23 34.353 -7.458 -3.699 1.00 0.00 C ATOM 962 O GLU B 23 34.462 -8.049 -4.755 1.00 0.00 O ATOM 963 CB GLU B 23 36.259 -6.659 -2.263 1.00 0.00 C ATOM 964 CG GLU B 23 37.404 -7.461 -2.885 1.00 0.00 C ATOM 965 CD GLU B 23 38.628 -7.397 -1.970 1.00 0.00 C ATOM 966 OE1 GLU B 23 38.498 -6.877 -0.874 1.00 0.00 O ATOM 967 OE2 GLU B 23 39.676 -7.867 -2.381 1.00 0.00 O ATOM 0 H GLU B 23 34.746 -4.853 -1.843 1.00 0.00 H new ATOM 0 HA GLU B 23 35.762 -5.973 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU B 23 36.649 -5.763 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU B 23 35.764 -7.249 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU B 23 37.099 -8.497 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU B 23 37.650 -7.060 -3.868 1.00 0.00 H new ATOM 974 N ALA B 24 33.453 -7.802 -2.818 1.00 0.00 N ATOM 975 CA ALA B 24 32.533 -8.940 -3.099 1.00 0.00 C ATOM 976 C ALA B 24 31.651 -8.604 -4.303 1.00 0.00 C ATOM 977 O ALA B 24 31.339 -9.453 -5.115 1.00 0.00 O ATOM 978 CB ALA B 24 31.685 -9.089 -1.836 1.00 0.00 C ATOM 0 H ALA B 24 33.315 -7.344 -1.917 1.00 0.00 H new ATOM 0 HA ALA B 24 33.067 -9.860 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA B 24 30.980 -9.910 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA B 24 32.333 -9.298 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA B 24 31.136 -8.165 -1.655 1.00 0.00 H new ATOM 984 N LEU B 25 31.250 -7.367 -4.426 1.00 0.00 N ATOM 985 CA LEU B 25 30.394 -6.972 -5.580 1.00 0.00 C ATOM 986 C LEU B 25 31.107 -7.303 -6.893 1.00 0.00 C ATOM 987 O LEU B 25 30.538 -7.896 -7.787 1.00 0.00 O ATOM 988 CB LEU B 25 30.205 -5.461 -5.434 1.00 0.00 C ATOM 989 CG LEU B 25 29.564 -4.900 -6.703 1.00 0.00 C ATOM 990 CD1 LEU B 25 28.821 -3.605 -6.370 1.00 0.00 C ATOM 991 CD2 LEU B 25 30.653 -4.608 -7.738 1.00 0.00 C ATOM 0 H LEU B 25 31.478 -6.614 -3.777 1.00 0.00 H new ATOM 0 HA LEU B 25 29.440 -7.499 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU B 25 29.576 -5.245 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.167 -4.979 -5.257 1.00 0.00 H new ATOM 0 HG LEU B 25 28.862 -5.629 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU B 25 28.364 -3.205 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU B 25 28.046 -3.810 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU B 25 29.523 -2.876 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU B 25 30.197 -4.208 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU B 25 31.354 -3.879 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU B 25 31.185 -5.529 -7.976 1.00 0.00 H new ATOM 1003 N GLU B 26 32.352 -6.930 -7.012 1.00 0.00 N ATOM 1004 CA GLU B 26 33.103 -7.232 -8.264 1.00 0.00 C ATOM 1005 C GLU B 26 33.100 -8.740 -8.518 1.00 0.00 C ATOM 1006 O GLU B 26 32.686 -9.204 -9.562 1.00 0.00 O ATOM 1007 CB GLU B 26 34.525 -6.733 -8.005 1.00 0.00 C ATOM 1008 CG GLU B 26 34.626 -5.256 -8.391 1.00 0.00 C ATOM 1009 CD GLU B 26 35.759 -4.599 -7.601 1.00 0.00 C ATOM 1010 OE1 GLU B 26 36.847 -5.152 -7.591 1.00 0.00 O ATOM 1011 OE2 GLU B 26 35.520 -3.555 -7.018 1.00 0.00 O ATOM 0 H GLU B 26 32.881 -6.430 -6.298 1.00 0.00 H new ATOM 0 HA GLU B 26 32.662 -6.757 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU B 26 34.782 -6.863 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU B 26 35.239 -7.320 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU B 26 34.811 -5.161 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU B 26 33.683 -4.750 -8.184 1.00 0.00 H new ATOM 1018 N LEU B 27 33.552 -9.511 -7.566 1.00 0.00 N ATOM 1019 CA LEU B 27 33.567 -10.989 -7.750 1.00 0.00 C ATOM 1020 C LEU B 27 32.133 -11.523 -7.778 1.00 0.00 C ATOM 1021 O LEU B 27 31.855 -12.561 -8.344 1.00 0.00 O ATOM 1022 CB LEU B 27 34.323 -11.533 -6.537 1.00 0.00 C ATOM 1023 CG LEU B 27 35.794 -11.737 -6.902 1.00 0.00 C ATOM 1024 CD1 LEU B 27 36.658 -11.584 -5.649 1.00 0.00 C ATOM 1025 CD2 LEU B 27 35.984 -13.139 -7.484 1.00 0.00 C ATOM 0 H LEU B 27 33.911 -9.181 -6.670 1.00 0.00 H new ATOM 0 HA LEU B 27 34.039 -11.289 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU B 27 34.238 -10.839 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.883 -12.477 -6.214 1.00 0.00 H new ATOM 0 HG LEU B 27 36.091 -10.992 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU B 27 37.706 -11.730 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU B 27 36.523 -10.585 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU B 27 36.362 -12.328 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU B 27 37.032 -13.286 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU B 27 35.686 -13.883 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU B 27 35.369 -13.248 -8.377 1.00 0.00 H new ATOM 1037 N LYS B 28 31.219 -10.813 -7.173 1.00 0.00 N ATOM 1038 CA LYS B 28 29.800 -11.270 -7.165 1.00 0.00 C ATOM 1039 C LYS B 28 29.152 -10.977 -8.521 1.00 0.00 C ATOM 1040 O LYS B 28 28.279 -11.692 -8.972 1.00 0.00 O ATOM 1041 CB LYS B 28 29.130 -10.455 -6.057 1.00 0.00 C ATOM 1042 CG LYS B 28 27.608 -10.586 -6.161 1.00 0.00 C ATOM 1043 CD LYS B 28 27.229 -12.056 -6.362 1.00 0.00 C ATOM 1044 CE LYS B 28 26.011 -12.391 -5.499 1.00 0.00 C ATOM 1045 NZ LYS B 28 26.344 -13.690 -4.851 1.00 0.00 N ATOM 0 H LYS B 28 31.394 -9.935 -6.684 1.00 0.00 H new ATOM 0 HA LYS B 28 29.706 -12.342 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS B 28 29.468 -10.805 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS B 28 29.420 -9.407 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS B 28 27.137 -10.199 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS B 28 27.238 -9.988 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS B 28 27.007 -12.245 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS B 28 28.067 -12.699 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS B 28 25.828 -11.615 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS B 28 25.108 -12.472 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 25.555 -13.986 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 26.506 -14.411 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 27.204 -13.581 -4.276 1.00 0.00 H new ATOM 1059 N ASP B 29 29.578 -9.932 -9.176 1.00 0.00 N ATOM 1060 CA ASP B 29 28.992 -9.593 -10.505 1.00 0.00 C ATOM 1061 C ASP B 29 29.494 -10.575 -11.567 1.00 0.00 C ATOM 1062 O ASP B 29 28.727 -11.117 -12.338 1.00 0.00 O ATOM 1063 CB ASP B 29 29.487 -8.178 -10.806 1.00 0.00 C ATOM 1064 CG ASP B 29 28.374 -7.382 -11.490 1.00 0.00 C ATOM 1065 OD1 ASP B 29 27.284 -7.916 -11.620 1.00 0.00 O ATOM 1066 OD2 ASP B 29 28.630 -6.252 -11.873 1.00 0.00 O ATOM 0 H ASP B 29 30.307 -9.298 -8.849 1.00 0.00 H new ATOM 0 HA ASP B 29 27.904 -9.652 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP B 29 29.788 -7.683 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP B 29 30.367 -8.218 -11.448 1.00 0.00 H new ATOM 1071 N ALA B 30 30.778 -10.810 -11.612 1.00 0.00 N ATOM 1072 CA ALA B 30 31.328 -11.757 -12.623 1.00 0.00 C ATOM 1073 C ALA B 30 30.788 -13.168 -12.373 1.00 0.00 C ATOM 1074 O ALA B 30 30.922 -14.050 -13.198 1.00 0.00 O ATOM 1075 CB ALA B 30 32.843 -11.719 -12.417 1.00 0.00 C ATOM 0 H ALA B 30 31.469 -10.387 -10.992 1.00 0.00 H new ATOM 0 HA ALA B 30 31.048 -11.485 -13.641 1.00 0.00 H new ATOM 0 HB1 ALA B 30 33.324 -12.393 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA B 30 33.207 -10.704 -12.577 1.00 0.00 H new ATOM 0 HB3 ALA B 30 33.080 -12.033 -11.401 1.00 0.00 H new ATOM 1081 N GLN B 31 30.178 -13.386 -11.241 1.00 0.00 N ATOM 1082 CA GLN B 31 29.629 -14.739 -10.938 1.00 0.00 C ATOM 1083 C GLN B 31 28.102 -14.725 -11.051 1.00 0.00 C ATOM 1084 O GLN B 31 27.520 -15.467 -11.817 1.00 0.00 O ATOM 1085 CB GLN B 31 30.057 -15.027 -9.499 1.00 0.00 C ATOM 1086 CG GLN B 31 30.528 -16.478 -9.388 1.00 0.00 C ATOM 1087 CD GLN B 31 29.655 -17.222 -8.376 1.00 0.00 C ATOM 1088 OE1 GLN B 31 29.341 -18.380 -8.562 1.00 0.00 O ATOM 1089 NE2 GLN B 31 29.245 -16.599 -7.304 1.00 0.00 N ATOM 0 H GLN B 31 30.036 -12.687 -10.512 1.00 0.00 H new ATOM 0 HA GLN B 31 29.993 -15.498 -11.631 1.00 0.00 H new ATOM 0 HB2 GLN B 31 30.859 -14.350 -9.204 1.00 0.00 H new ATOM 0 HB3 GLN B 31 29.224 -14.851 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN B 31 30.471 -16.965 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN B 31 31.572 -16.510 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN B 31 29.509 -15.626 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN B 31 28.661 -17.085 -6.623 1.00 0.00 H new