USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0887 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 8 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.6!) USER MOD Single : A 17 GLN : amide:sc= -0.297 K(o=-0.3,f=-2!) USER MOD Single : A 22 ASN : amide:sc= -7.14! C(o=-7.1!,f=-7.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.5! C(o=-2.5!,f=-5.9!) USER MOD Single : B 4 TYR OH : rot 180:sc= -0.0771 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.33 USER MOD Single : B 8 GLN : amide:sc= -0.281 K(o=-0.28,f=-3.4!) USER MOD Single : B 17 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.9!) USER MOD Single : B 22 ASN : amide:sc= -7.22! C(o=-7.2!,f=-7.7!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -2.53! C(o=-2.5!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 29.130 7.505 -11.922 1.00 0.00 N ATOM 38 CA TYR A 4 29.564 7.253 -10.517 1.00 0.00 C ATOM 39 C TYR A 4 28.403 6.683 -9.697 1.00 0.00 C ATOM 40 O TYR A 4 27.253 6.791 -10.073 1.00 0.00 O ATOM 41 CB TYR A 4 29.977 8.624 -9.980 1.00 0.00 C ATOM 42 CG TYR A 4 31.239 8.485 -9.163 1.00 0.00 C ATOM 43 CD1 TYR A 4 31.175 7.999 -7.852 1.00 0.00 C ATOM 44 CD2 TYR A 4 32.474 8.842 -9.717 1.00 0.00 C ATOM 45 CE1 TYR A 4 32.345 7.870 -7.094 1.00 0.00 C ATOM 46 CE2 TYR A 4 33.645 8.714 -8.960 1.00 0.00 C ATOM 47 CZ TYR A 4 33.580 8.228 -7.649 1.00 0.00 C ATOM 48 OH TYR A 4 34.734 8.101 -6.903 1.00 0.00 O ATOM 0 HA TYR A 4 30.377 6.529 -10.459 1.00 0.00 H new ATOM 0 HB2 TYR A 4 30.140 9.316 -10.806 1.00 0.00 H new ATOM 0 HB3 TYR A 4 29.178 9.042 -9.367 1.00 0.00 H new ATOM 0 HD1 TYR A 4 30.222 7.723 -7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 4 32.524 9.216 -10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 4 32.295 7.495 -6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.598 8.990 -9.387 1.00 0.00 H new ATOM 0 HH TYR A 4 35.503 8.391 -7.437 1.00 0.00 H new ATOM 58 N PHE A 5 28.696 6.079 -8.578 1.00 0.00 N ATOM 59 CA PHE A 5 27.610 5.503 -7.733 1.00 0.00 C ATOM 60 C PHE A 5 27.815 5.905 -6.269 1.00 0.00 C ATOM 61 O PHE A 5 28.802 5.555 -5.653 1.00 0.00 O ATOM 62 CB PHE A 5 27.735 3.986 -7.892 1.00 0.00 C ATOM 63 CG PHE A 5 27.968 3.642 -9.345 1.00 0.00 C ATOM 64 CD1 PHE A 5 26.906 3.687 -10.255 1.00 0.00 C ATOM 65 CD2 PHE A 5 29.248 3.277 -9.780 1.00 0.00 C ATOM 66 CE1 PHE A 5 27.123 3.368 -11.601 1.00 0.00 C ATOM 67 CE2 PHE A 5 29.465 2.958 -11.126 1.00 0.00 C ATOM 68 CZ PHE A 5 28.403 3.003 -12.036 1.00 0.00 C ATOM 0 H PHE A 5 29.640 5.959 -8.212 1.00 0.00 H new ATOM 0 HA PHE A 5 26.625 5.861 -8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 5 28.559 3.614 -7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 5 26.829 3.498 -7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 5 25.919 3.968 -9.919 1.00 0.00 H new ATOM 0 HD2 PHE A 5 30.068 3.242 -9.078 1.00 0.00 H new ATOM 0 HE1 PHE A 5 26.303 3.403 -12.303 1.00 0.00 H new ATOM 0 HE2 PHE A 5 30.452 2.677 -11.462 1.00 0.00 H new ATOM 0 HZ PHE A 5 28.571 2.756 -13.074 1.00 0.00 H new ATOM 78 N THR A 6 26.891 6.636 -5.708 1.00 0.00 N ATOM 79 CA THR A 6 27.038 7.058 -4.284 1.00 0.00 C ATOM 80 C THR A 6 25.823 6.606 -3.470 1.00 0.00 C ATOM 81 O THR A 6 24.694 6.724 -3.903 1.00 0.00 O ATOM 82 CB THR A 6 27.117 8.585 -4.331 1.00 0.00 C ATOM 83 OG1 THR A 6 28.406 8.977 -4.783 1.00 0.00 O ATOM 84 CG2 THR A 6 26.870 9.156 -2.934 1.00 0.00 C ATOM 0 H THR A 6 26.042 6.959 -6.172 1.00 0.00 H new ATOM 0 HA THR A 6 27.916 6.619 -3.811 1.00 0.00 H new ATOM 0 HB THR A 6 26.359 8.966 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 6 28.458 9.955 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 6 26.927 10.244 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 6 25.881 8.856 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 6 27.626 8.776 -2.247 1.00 0.00 H new ATOM 92 N LEU A 7 26.045 6.090 -2.292 1.00 0.00 N ATOM 93 CA LEU A 7 24.902 5.631 -1.451 1.00 0.00 C ATOM 94 C LEU A 7 24.913 6.358 -0.103 1.00 0.00 C ATOM 95 O LEU A 7 25.934 6.844 0.343 1.00 0.00 O ATOM 96 CB LEU A 7 25.131 4.132 -1.255 1.00 0.00 C ATOM 97 CG LEU A 7 24.225 3.348 -2.206 1.00 0.00 C ATOM 98 CD1 LEU A 7 24.652 1.880 -2.227 1.00 0.00 C ATOM 99 CD2 LEU A 7 22.776 3.450 -1.726 1.00 0.00 C ATOM 0 H LEU A 7 26.968 5.966 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 7 23.938 5.838 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.176 3.885 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 7 24.920 3.853 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 7 24.307 3.763 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.006 1.323 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.685 1.806 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 7 24.571 1.463 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.129 2.892 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.695 3.035 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 7 22.470 4.496 -1.712 1.00 0.00 H new ATOM 111 N GLN A 8 23.785 6.439 0.547 1.00 0.00 N ATOM 112 CA GLN A 8 23.732 7.137 1.865 1.00 0.00 C ATOM 113 C GLN A 8 23.268 6.171 2.959 1.00 0.00 C ATOM 114 O GLN A 8 22.287 5.470 2.807 1.00 0.00 O ATOM 115 CB GLN A 8 22.712 8.260 1.675 1.00 0.00 C ATOM 116 CG GLN A 8 23.226 9.245 0.623 1.00 0.00 C ATOM 117 CD GLN A 8 22.783 10.663 0.991 1.00 0.00 C ATOM 118 OE1 GLN A 8 22.300 10.897 2.080 1.00 0.00 O ATOM 119 NE2 GLN A 8 22.929 11.625 0.121 1.00 0.00 N ATOM 0 H GLN A 8 22.898 6.053 0.224 1.00 0.00 H new ATOM 0 HA GLN A 8 24.707 7.517 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 8 21.753 7.846 1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.544 8.776 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 8 24.313 9.196 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.841 8.976 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.335 11.428 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 8 22.637 12.574 0.356 1.00 0.00 H new ATOM 128 N ILE A 9 23.966 6.130 4.062 1.00 0.00 N ATOM 129 CA ILE A 9 23.563 5.210 5.165 1.00 0.00 C ATOM 130 C ILE A 9 23.389 5.993 6.470 1.00 0.00 C ATOM 131 O ILE A 9 24.045 6.989 6.699 1.00 0.00 O ATOM 132 CB ILE A 9 24.713 4.211 5.289 1.00 0.00 C ATOM 133 CG1 ILE A 9 24.852 3.432 3.979 1.00 0.00 C ATOM 134 CG2 ILE A 9 24.421 3.236 6.431 1.00 0.00 C ATOM 135 CD1 ILE A 9 26.314 3.446 3.529 1.00 0.00 C ATOM 0 H ILE A 9 24.796 6.693 4.247 1.00 0.00 H new ATOM 0 HA ILE A 9 22.613 4.715 4.963 1.00 0.00 H new ATOM 0 HB ILE A 9 25.640 4.747 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 9 24.513 2.405 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 9 24.220 3.877 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 9 25.241 2.523 6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 9 24.319 3.789 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 9 23.495 2.700 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 9 26.413 2.891 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 9 26.637 4.475 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 9 26.935 2.981 4.295 1.00 0.00 H new ATOM 147 N ARG A 10 22.508 5.551 7.326 1.00 0.00 N ATOM 148 CA ARG A 10 22.294 6.273 8.614 1.00 0.00 C ATOM 149 C ARG A 10 22.474 5.316 9.796 1.00 0.00 C ATOM 150 O ARG A 10 21.690 5.307 10.724 1.00 0.00 O ATOM 151 CB ARG A 10 20.853 6.784 8.547 1.00 0.00 C ATOM 152 CG ARG A 10 19.884 5.617 8.747 1.00 0.00 C ATOM 153 CD ARG A 10 18.764 5.699 7.707 1.00 0.00 C ATOM 154 NE ARG A 10 17.562 6.136 8.470 1.00 0.00 N ATOM 155 CZ ARG A 10 16.447 6.390 7.841 1.00 0.00 C ATOM 156 NH1 ARG A 10 16.364 7.428 7.053 1.00 0.00 N ATOM 157 NH2 ARG A 10 15.416 5.607 8.000 1.00 0.00 N ATOM 0 H ARG A 10 21.928 4.723 7.190 1.00 0.00 H new ATOM 0 HA ARG A 10 23.007 7.085 8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 10 20.689 7.541 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.670 7.261 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.415 4.670 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.464 5.647 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.010 6.409 6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.598 4.734 7.228 1.00 0.00 H new ATOM 0 HE ARG A 10 17.610 6.237 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.170 8.040 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.493 7.627 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.481 4.796 8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.544 5.805 7.509 1.00 0.00 H new ATOM 171 N GLY A 11 23.500 4.511 9.768 1.00 0.00 N ATOM 172 CA GLY A 11 23.730 3.556 10.890 1.00 0.00 C ATOM 173 C GLY A 11 25.185 3.086 10.871 1.00 0.00 C ATOM 174 O GLY A 11 25.579 2.289 10.043 1.00 0.00 O ATOM 0 H GLY A 11 24.189 4.473 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.504 4.036 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.060 2.702 10.797 1.00 0.00 H new ATOM 178 N ARG A 12 25.989 3.574 11.777 1.00 0.00 N ATOM 179 CA ARG A 12 27.419 3.154 11.808 1.00 0.00 C ATOM 180 C ARG A 12 27.527 1.632 11.684 1.00 0.00 C ATOM 181 O ARG A 12 28.249 1.117 10.853 1.00 0.00 O ATOM 182 CB ARG A 12 27.940 3.621 13.168 1.00 0.00 C ATOM 183 CG ARG A 12 29.398 4.064 13.031 1.00 0.00 C ATOM 184 CD ARG A 12 30.008 4.255 14.421 1.00 0.00 C ATOM 185 NE ARG A 12 31.034 3.183 14.540 1.00 0.00 N ATOM 186 CZ ARG A 12 32.244 3.477 14.932 1.00 0.00 C ATOM 187 NH1 ARG A 12 32.798 4.596 14.553 1.00 0.00 N ATOM 188 NH2 ARG A 12 32.900 2.653 15.702 1.00 0.00 N ATOM 0 H ARG A 12 25.718 4.245 12.496 1.00 0.00 H new ATOM 0 HA ARG A 12 27.992 3.580 10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 12 27.331 4.446 13.539 1.00 0.00 H new ATOM 0 HB3 ARG A 12 27.861 2.814 13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 12 29.965 3.318 12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 12 29.455 4.995 12.467 1.00 0.00 H new ATOM 0 HD2 ARG A 12 30.456 5.243 14.523 1.00 0.00 H new ATOM 0 HD3 ARG A 12 29.251 4.166 15.200 1.00 0.00 H new ATOM 0 HE ARG A 12 30.791 2.218 14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 12 32.286 5.240 13.951 1.00 0.00 H new ATOM 0 HH12 ARG A 12 33.743 4.826 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 12 32.467 1.778 15.998 1.00 0.00 H new ATOM 0 HH22 ARG A 12 33.845 2.884 16.008 1.00 0.00 H new ATOM 202 N GLU A 13 26.815 0.908 12.504 1.00 0.00 N ATOM 203 CA GLU A 13 26.879 -0.580 12.432 1.00 0.00 C ATOM 204 C GLU A 13 26.749 -1.045 10.978 1.00 0.00 C ATOM 205 O GLU A 13 27.374 -2.003 10.567 1.00 0.00 O ATOM 206 CB GLU A 13 25.691 -1.069 13.262 1.00 0.00 C ATOM 207 CG GLU A 13 26.200 -1.689 14.565 1.00 0.00 C ATOM 208 CD GLU A 13 27.219 -2.784 14.246 1.00 0.00 C ATOM 209 OE1 GLU A 13 27.224 -3.252 13.119 1.00 0.00 O ATOM 210 OE2 GLU A 13 27.978 -3.137 15.133 1.00 0.00 O ATOM 0 H GLU A 13 26.192 1.282 13.220 1.00 0.00 H new ATOM 0 HA GLU A 13 27.825 -0.972 12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 13 25.019 -0.239 13.480 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.117 -1.803 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 13 26.658 -0.922 15.190 1.00 0.00 H new ATOM 0 HG3 GLU A 13 25.367 -2.106 15.131 1.00 0.00 H new ATOM 217 N ARG A 14 25.953 -0.370 10.194 1.00 0.00 N ATOM 218 CA ARG A 14 25.797 -0.766 8.770 1.00 0.00 C ATOM 219 C ARG A 14 26.940 -0.166 7.955 1.00 0.00 C ATOM 220 O ARG A 14 27.652 -0.855 7.245 1.00 0.00 O ATOM 221 CB ARG A 14 24.457 -0.169 8.336 1.00 0.00 C ATOM 222 CG ARG A 14 23.312 -1.020 8.889 1.00 0.00 C ATOM 223 CD ARG A 14 22.044 -0.764 8.070 1.00 0.00 C ATOM 224 NE ARG A 14 21.629 0.621 8.425 1.00 0.00 N ATOM 225 CZ ARG A 14 20.792 1.268 7.660 1.00 0.00 C ATOM 226 NH1 ARG A 14 20.866 1.147 6.363 1.00 0.00 N ATOM 227 NH2 ARG A 14 19.882 2.037 8.192 1.00 0.00 N ATOM 0 H ARG A 14 25.404 0.440 10.481 1.00 0.00 H new ATOM 0 HA ARG A 14 25.820 -1.846 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.370 0.855 8.698 1.00 0.00 H new ATOM 0 HB3 ARG A 14 24.401 -0.129 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.577 -2.076 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.136 -0.776 9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 14 22.239 -0.856 7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 14 21.264 -1.485 8.315 1.00 0.00 H new ATOM 0 HE ARG A 14 21.999 1.064 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.578 0.547 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.212 1.653 5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 14 19.824 2.133 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 14 19.228 2.542 7.594 1.00 0.00 H new ATOM 241 N PHE A 15 27.122 1.121 8.059 1.00 0.00 N ATOM 242 CA PHE A 15 28.215 1.775 7.301 1.00 0.00 C ATOM 243 C PHE A 15 29.510 0.981 7.474 1.00 0.00 C ATOM 244 O PHE A 15 30.209 0.698 6.522 1.00 0.00 O ATOM 245 CB PHE A 15 28.352 3.171 7.908 1.00 0.00 C ATOM 246 CG PHE A 15 29.369 3.961 7.120 1.00 0.00 C ATOM 247 CD1 PHE A 15 29.187 4.164 5.747 1.00 0.00 C ATOM 248 CD2 PHE A 15 30.495 4.491 7.762 1.00 0.00 C ATOM 249 CE1 PHE A 15 30.131 4.895 5.015 1.00 0.00 C ATOM 250 CE2 PHE A 15 31.439 5.222 7.031 1.00 0.00 C ATOM 251 CZ PHE A 15 31.257 5.424 5.658 1.00 0.00 C ATOM 0 H PHE A 15 26.559 1.745 8.637 1.00 0.00 H new ATOM 0 HA PHE A 15 28.007 1.824 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 15 27.389 3.682 7.895 1.00 0.00 H new ATOM 0 HB3 PHE A 15 28.660 3.098 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 15 28.318 3.757 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 15 30.635 4.336 8.822 1.00 0.00 H new ATOM 0 HE1 PHE A 15 29.991 5.051 3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 15 32.308 5.630 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 15 31.985 5.988 5.094 1.00 0.00 H new ATOM 261 N GLU A 16 29.828 0.611 8.685 1.00 0.00 N ATOM 262 CA GLU A 16 31.072 -0.175 8.915 1.00 0.00 C ATOM 263 C GLU A 16 31.185 -1.272 7.858 1.00 0.00 C ATOM 264 O GLU A 16 32.249 -1.539 7.335 1.00 0.00 O ATOM 265 CB GLU A 16 30.906 -0.783 10.307 1.00 0.00 C ATOM 266 CG GLU A 16 31.135 0.297 11.366 1.00 0.00 C ATOM 267 CD GLU A 16 31.890 -0.305 12.553 1.00 0.00 C ATOM 268 OE1 GLU A 16 32.021 -1.517 12.593 1.00 0.00 O ATOM 269 OE2 GLU A 16 32.324 0.457 13.401 1.00 0.00 O ATOM 0 H GLU A 16 29.282 0.818 9.521 1.00 0.00 H new ATOM 0 HA GLU A 16 31.973 0.434 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.907 -1.206 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.615 -1.599 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.704 1.124 10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.180 0.705 11.698 1.00 0.00 H new ATOM 276 N GLN A 17 30.090 -1.903 7.529 1.00 0.00 N ATOM 277 CA GLN A 17 30.133 -2.974 6.495 1.00 0.00 C ATOM 278 C GLN A 17 30.474 -2.359 5.138 1.00 0.00 C ATOM 279 O GLN A 17 31.286 -2.876 4.397 1.00 0.00 O ATOM 280 CB GLN A 17 28.725 -3.572 6.478 1.00 0.00 C ATOM 281 CG GLN A 17 28.736 -4.922 7.198 1.00 0.00 C ATOM 282 CD GLN A 17 29.627 -5.902 6.434 1.00 0.00 C ATOM 283 OE1 GLN A 17 29.927 -5.692 5.275 1.00 0.00 O ATOM 284 NE2 GLN A 17 30.066 -6.972 7.038 1.00 0.00 N ATOM 0 H GLN A 17 29.170 -1.723 7.931 1.00 0.00 H new ATOM 0 HA GLN A 17 30.887 -3.732 6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 17 28.024 -2.894 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 17 28.384 -3.699 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 17 29.103 -4.799 8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 17 27.722 -5.316 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 17 29.814 -7.148 8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 17 30.661 -7.632 6.538 1.00 0.00 H new ATOM 293 N PHE A 18 29.865 -1.251 4.809 1.00 0.00 N ATOM 294 CA PHE A 18 30.167 -0.602 3.499 1.00 0.00 C ATOM 295 C PHE A 18 31.585 -0.023 3.519 1.00 0.00 C ATOM 296 O PHE A 18 32.402 -0.333 2.675 1.00 0.00 O ATOM 297 CB PHE A 18 29.131 0.514 3.352 1.00 0.00 C ATOM 298 CG PHE A 18 27.749 -0.091 3.294 1.00 0.00 C ATOM 299 CD1 PHE A 18 27.216 -0.507 2.068 1.00 0.00 C ATOM 300 CD2 PHE A 18 27.005 -0.244 4.468 1.00 0.00 C ATOM 301 CE1 PHE A 18 25.937 -1.073 2.018 1.00 0.00 C ATOM 302 CE2 PHE A 18 25.727 -0.812 4.419 1.00 0.00 C ATOM 303 CZ PHE A 18 25.193 -1.227 3.194 1.00 0.00 C ATOM 0 H PHE A 18 29.176 -0.769 5.386 1.00 0.00 H new ATOM 0 HA PHE A 18 30.119 -1.306 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.203 1.205 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.326 1.090 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.791 -0.391 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.417 0.076 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 18 25.524 -1.391 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 18 25.153 -0.930 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 18 24.207 -1.666 3.156 1.00 0.00 H new ATOM 313 N ARG A 19 31.886 0.808 4.480 1.00 0.00 N ATOM 314 CA ARG A 19 33.256 1.394 4.551 1.00 0.00 C ATOM 315 C ARG A 19 34.298 0.297 4.321 1.00 0.00 C ATOM 316 O ARG A 19 35.096 0.365 3.406 1.00 0.00 O ATOM 317 CB ARG A 19 33.374 1.961 5.966 1.00 0.00 C ATOM 318 CG ARG A 19 34.522 2.971 6.018 1.00 0.00 C ATOM 319 CD ARG A 19 34.226 4.028 7.084 1.00 0.00 C ATOM 320 NE ARG A 19 35.498 4.177 7.842 1.00 0.00 N ATOM 321 CZ ARG A 19 35.994 5.364 8.059 1.00 0.00 C ATOM 322 NH1 ARG A 19 36.745 5.933 7.155 1.00 0.00 N ATOM 323 NH2 ARG A 19 35.740 5.983 9.180 1.00 0.00 N ATOM 0 H ARG A 19 31.246 1.106 5.216 1.00 0.00 H new ATOM 0 HA ARG A 19 33.423 2.161 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.440 2.442 6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 19 33.552 1.155 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 19 35.458 2.462 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 19 34.647 3.446 5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.924 4.972 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.412 3.713 7.737 1.00 0.00 H new ATOM 0 HE ARG A 19 35.982 3.350 8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.944 5.449 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.133 6.861 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 19 35.154 5.539 9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.128 6.911 9.349 1.00 0.00 H new ATOM 337 N GLU A 20 34.289 -0.721 5.139 1.00 0.00 N ATOM 338 CA GLU A 20 35.271 -1.826 4.960 1.00 0.00 C ATOM 339 C GLU A 20 35.235 -2.314 3.511 1.00 0.00 C ATOM 340 O GLU A 20 36.256 -2.572 2.904 1.00 0.00 O ATOM 341 CB GLU A 20 34.806 -2.930 5.912 1.00 0.00 C ATOM 342 CG GLU A 20 36.011 -3.498 6.665 1.00 0.00 C ATOM 343 CD GLU A 20 35.736 -4.954 7.044 1.00 0.00 C ATOM 344 OE1 GLU A 20 35.828 -5.801 6.170 1.00 0.00 O ATOM 345 OE2 GLU A 20 35.436 -5.198 8.201 1.00 0.00 O ATOM 0 H GLU A 20 33.645 -0.834 5.922 1.00 0.00 H new ATOM 0 HA GLU A 20 36.294 -1.516 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 20 34.077 -2.532 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 20 34.308 -3.721 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 20 36.904 -3.435 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 20 36.204 -2.908 7.561 1.00 0.00 H new ATOM 352 N ARG A 21 34.062 -2.433 2.949 1.00 0.00 N ATOM 353 CA ARG A 21 33.956 -2.892 1.535 1.00 0.00 C ATOM 354 C ARG A 21 34.510 -1.816 0.600 1.00 0.00 C ATOM 355 O ARG A 21 35.277 -2.096 -0.300 1.00 0.00 O ATOM 356 CB ARG A 21 32.461 -3.096 1.294 1.00 0.00 C ATOM 357 CG ARG A 21 32.134 -4.589 1.321 1.00 0.00 C ATOM 358 CD ARG A 21 32.713 -5.220 2.589 1.00 0.00 C ATOM 359 NE ARG A 21 33.521 -6.375 2.108 1.00 0.00 N ATOM 360 CZ ARG A 21 33.712 -7.406 2.885 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.235 -7.242 4.070 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.382 -8.600 2.477 1.00 0.00 N ATOM 0 H ARG A 21 33.174 -2.232 3.408 1.00 0.00 H new ATOM 0 HA ARG A 21 34.522 -3.804 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 21 31.885 -2.574 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.176 -2.669 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 21 31.054 -4.735 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 21 32.547 -5.078 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.329 -4.508 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 31.922 -5.545 3.265 1.00 0.00 H new ATOM 0 HE ARG A 21 33.925 -6.360 1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.494 -6.308 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.384 -8.048 4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.975 -8.728 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.531 -9.406 3.084 1.00 0.00 H new ATOM 376 N ASN A 22 34.133 -0.583 0.811 1.00 0.00 N ATOM 377 CA ASN A 22 34.646 0.513 -0.060 1.00 0.00 C ATOM 378 C ASN A 22 36.145 0.322 -0.296 1.00 0.00 C ATOM 379 O ASN A 22 36.639 0.490 -1.393 1.00 0.00 O ATOM 380 CB ASN A 22 34.384 1.799 0.724 1.00 0.00 C ATOM 381 CG ASN A 22 35.128 2.961 0.063 1.00 0.00 C ATOM 382 OD1 ASN A 22 36.342 2.968 0.007 1.00 0.00 O ATOM 383 ND2 ASN A 22 34.446 3.951 -0.445 1.00 0.00 N ATOM 0 H ASN A 22 33.493 -0.288 1.548 1.00 0.00 H new ATOM 0 HA ASN A 22 34.164 0.532 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 22 33.315 2.008 0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 22 34.714 1.682 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 22 34.932 4.730 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 22 33.427 3.945 -0.398 1.00 0.00 H new ATOM 390 N GLU A 23 36.869 -0.035 0.728 1.00 0.00 N ATOM 391 CA GLU A 23 38.334 -0.247 0.567 1.00 0.00 C ATOM 392 C GLU A 23 38.596 -1.632 -0.031 1.00 0.00 C ATOM 393 O GLU A 23 39.345 -1.781 -0.978 1.00 0.00 O ATOM 394 CB GLU A 23 38.905 -0.157 1.983 1.00 0.00 C ATOM 395 CG GLU A 23 40.428 -0.281 1.927 1.00 0.00 C ATOM 396 CD GLU A 23 41.038 1.074 1.567 1.00 0.00 C ATOM 397 OE1 GLU A 23 40.358 1.855 0.922 1.00 0.00 O ATOM 398 OE2 GLU A 23 42.175 1.309 1.942 1.00 0.00 O ATOM 0 H GLU A 23 36.509 -0.189 1.670 1.00 0.00 H new ATOM 0 HA GLU A 23 38.790 0.483 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 23 38.623 0.791 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 23 38.488 -0.948 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 23 40.811 -0.620 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 23 40.716 -1.029 1.188 1.00 0.00 H new ATOM 405 N ALA A 24 37.977 -2.646 0.510 1.00 0.00 N ATOM 406 CA ALA A 24 38.183 -4.019 -0.031 1.00 0.00 C ATOM 407 C ALA A 24 37.727 -4.074 -1.489 1.00 0.00 C ATOM 408 O ALA A 24 38.395 -4.626 -2.340 1.00 0.00 O ATOM 409 CB ALA A 24 37.314 -4.926 0.841 1.00 0.00 C ATOM 0 H ALA A 24 37.338 -2.583 1.303 1.00 0.00 H new ATOM 0 HA ALA A 24 39.229 -4.323 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 24 37.412 -5.958 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.638 -4.851 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.272 -4.616 0.763 1.00 0.00 H new ATOM 415 N LEU A 25 36.594 -3.497 -1.784 1.00 0.00 N ATOM 416 CA LEU A 25 36.097 -3.508 -3.188 1.00 0.00 C ATOM 417 C LEU A 25 37.065 -2.737 -4.087 1.00 0.00 C ATOM 418 O LEU A 25 37.475 -3.213 -5.126 1.00 0.00 O ATOM 419 CB LEU A 25 34.737 -2.810 -3.134 1.00 0.00 C ATOM 420 CG LEU A 25 33.643 -3.848 -2.881 1.00 0.00 C ATOM 421 CD1 LEU A 25 33.566 -4.806 -4.070 1.00 0.00 C ATOM 422 CD2 LEU A 25 33.973 -4.637 -1.612 1.00 0.00 C ATOM 0 H LEU A 25 35.992 -3.019 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 25 36.016 -4.516 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 34.732 -2.060 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 25 34.547 -2.286 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 25 32.685 -3.344 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 25 32.786 -5.546 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 25 33.332 -4.245 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 25 34.524 -5.311 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 25 33.194 -5.377 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 34.931 -5.142 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 34.030 -3.955 -0.764 1.00 0.00 H new ATOM 434 N GLU A 26 37.441 -1.550 -3.691 1.00 0.00 N ATOM 435 CA GLU A 26 38.390 -0.760 -4.524 1.00 0.00 C ATOM 436 C GLU A 26 39.533 -1.661 -4.993 1.00 0.00 C ATOM 437 O GLU A 26 39.901 -1.663 -6.151 1.00 0.00 O ATOM 438 CB GLU A 26 38.914 0.338 -3.597 1.00 0.00 C ATOM 439 CG GLU A 26 39.527 1.464 -4.432 1.00 0.00 C ATOM 440 CD GLU A 26 41.035 1.525 -4.180 1.00 0.00 C ATOM 441 OE1 GLU A 26 41.555 0.594 -3.588 1.00 0.00 O ATOM 442 OE2 GLU A 26 41.643 2.503 -4.582 1.00 0.00 O ATOM 0 H GLU A 26 37.133 -1.096 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 26 37.920 -0.343 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 26 38.102 0.727 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 26 39.660 -0.072 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 26 39.331 1.294 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 26 39.065 2.417 -4.172 1.00 0.00 H new ATOM 449 N LEU A 27 40.090 -2.436 -4.102 1.00 0.00 N ATOM 450 CA LEU A 27 41.202 -3.347 -4.497 1.00 0.00 C ATOM 451 C LEU A 27 40.662 -4.471 -5.386 1.00 0.00 C ATOM 452 O LEU A 27 41.342 -4.964 -6.263 1.00 0.00 O ATOM 453 CB LEU A 27 41.738 -3.912 -3.182 1.00 0.00 C ATOM 454 CG LEU A 27 43.076 -4.610 -3.433 1.00 0.00 C ATOM 455 CD1 LEU A 27 44.041 -4.288 -2.291 1.00 0.00 C ATOM 456 CD2 LEU A 27 42.855 -6.123 -3.502 1.00 0.00 C ATOM 0 H LEU A 27 39.823 -2.478 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 27 41.980 -2.835 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 27 41.865 -3.110 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 27 41.022 -4.616 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 27 43.498 -4.260 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 27 44.995 -4.785 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 44.197 -3.211 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 43.620 -4.639 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 27 43.807 -6.622 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 27 42.434 -6.473 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 42.166 -6.353 -4.315 1.00 0.00 H new ATOM 468 N LYS A 28 39.440 -4.875 -5.166 1.00 0.00 N ATOM 469 CA LYS A 28 38.851 -5.964 -5.998 1.00 0.00 C ATOM 470 C LYS A 28 38.748 -5.508 -7.457 1.00 0.00 C ATOM 471 O LYS A 28 38.960 -6.277 -8.374 1.00 0.00 O ATOM 472 CB LYS A 28 37.461 -6.207 -5.400 1.00 0.00 C ATOM 473 CG LYS A 28 36.562 -6.897 -6.430 1.00 0.00 C ATOM 474 CD LYS A 28 37.258 -8.151 -6.961 1.00 0.00 C ATOM 475 CE LYS A 28 36.569 -9.395 -6.398 1.00 0.00 C ATOM 476 NZ LYS A 28 36.676 -10.416 -7.477 1.00 0.00 N ATOM 0 H LYS A 28 38.824 -4.498 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 28 39.456 -6.871 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 28 37.544 -6.824 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 28 37.017 -5.260 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 28 35.608 -7.164 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 28 36.343 -6.215 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 28 37.224 -8.165 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 38.310 -8.144 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 28 37.054 -9.735 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.528 -9.191 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.225 -11.300 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.199 -10.068 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 37.679 -10.595 -7.688 1.00 0.00 H new ATOM 490 N ASP A 29 38.424 -4.263 -7.679 1.00 0.00 N ATOM 491 CA ASP A 29 38.309 -3.761 -9.078 1.00 0.00 C ATOM 492 C ASP A 29 39.697 -3.653 -9.715 1.00 0.00 C ATOM 493 O ASP A 29 39.918 -4.096 -10.824 1.00 0.00 O ATOM 494 CB ASP A 29 37.667 -2.379 -8.952 1.00 0.00 C ATOM 495 CG ASP A 29 36.308 -2.381 -9.655 1.00 0.00 C ATOM 496 OD1 ASP A 29 35.730 -3.447 -9.781 1.00 0.00 O ATOM 497 OD2 ASP A 29 35.870 -1.315 -10.056 1.00 0.00 O ATOM 0 H ASP A 29 38.234 -3.572 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 29 37.720 -4.427 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 29 37.544 -2.118 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 29 38.316 -1.623 -9.394 1.00 0.00 H new ATOM 502 N ALA A 30 40.636 -3.069 -9.020 1.00 0.00 N ATOM 503 CA ALA A 30 42.009 -2.936 -9.586 1.00 0.00 C ATOM 504 C ALA A 30 42.638 -4.319 -9.777 1.00 0.00 C ATOM 505 O ALA A 30 43.677 -4.460 -10.391 1.00 0.00 O ATOM 506 CB ALA A 30 42.790 -2.132 -8.547 1.00 0.00 C ATOM 0 H ALA A 30 40.512 -2.679 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 30 42.008 -2.449 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 30 43.815 -1.991 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.317 -1.160 -8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.796 -2.671 -7.600 1.00 0.00 H new ATOM 512 N GLN A 31 42.014 -5.340 -9.256 1.00 0.00 N ATOM 513 CA GLN A 31 42.575 -6.713 -9.409 1.00 0.00 C ATOM 514 C GLN A 31 41.834 -7.462 -10.519 1.00 0.00 C ATOM 515 O GLN A 31 42.373 -8.349 -11.151 1.00 0.00 O ATOM 516 CB GLN A 31 42.344 -7.388 -8.057 1.00 0.00 C ATOM 517 CG GLN A 31 43.691 -7.679 -7.392 1.00 0.00 C ATOM 518 CD GLN A 31 43.470 -8.525 -6.137 1.00 0.00 C ATOM 519 OE1 GLN A 31 42.673 -8.177 -5.288 1.00 0.00 O ATOM 520 NE2 GLN A 31 44.147 -9.630 -5.982 1.00 0.00 N ATOM 0 H GLN A 31 41.141 -5.283 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 31 43.630 -6.702 -9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 31 41.742 -6.744 -7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.786 -8.315 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 31 44.345 -8.205 -8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 31 44.189 -6.745 -7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.816 -9.922 -6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.007 -10.201 -5.149 1.00 0.00 H new ATOM 606 N TYR B 4 24.873 10.873 9.684 1.00 0.00 N ATOM 607 CA TYR B 4 24.631 10.021 8.483 1.00 0.00 C ATOM 608 C TYR B 4 25.962 9.583 7.865 1.00 0.00 C ATOM 609 O TYR B 4 26.998 10.162 8.122 1.00 0.00 O ATOM 610 CB TYR B 4 23.858 10.916 7.514 1.00 0.00 C ATOM 611 CG TYR B 4 22.753 10.117 6.865 1.00 0.00 C ATOM 612 CD1 TYR B 4 23.048 9.242 5.813 1.00 0.00 C ATOM 613 CD2 TYR B 4 21.434 10.252 7.314 1.00 0.00 C ATOM 614 CE1 TYR B 4 22.025 8.501 5.211 1.00 0.00 C ATOM 615 CE2 TYR B 4 20.410 9.511 6.712 1.00 0.00 C ATOM 616 CZ TYR B 4 20.706 8.635 5.660 1.00 0.00 C ATOM 617 OH TYR B 4 19.697 7.904 5.067 1.00 0.00 O ATOM 0 HA TYR B 4 24.082 9.111 8.726 1.00 0.00 H new ATOM 0 HB2 TYR B 4 23.440 11.770 8.046 1.00 0.00 H new ATOM 0 HB3 TYR B 4 24.530 11.312 6.753 1.00 0.00 H new ATOM 0 HD1 TYR B 4 24.065 9.139 5.466 1.00 0.00 H new ATOM 0 HD2 TYR B 4 21.206 10.928 8.125 1.00 0.00 H new ATOM 0 HE1 TYR B 4 22.253 7.826 4.400 1.00 0.00 H new ATOM 0 HE2 TYR B 4 19.392 9.615 7.059 1.00 0.00 H new ATOM 0 HH TYR B 4 18.843 8.115 5.499 1.00 0.00 H new ATOM 627 N PHE B 5 25.939 8.563 7.050 1.00 0.00 N ATOM 628 CA PHE B 5 27.202 8.087 6.414 1.00 0.00 C ATOM 629 C PHE B 5 26.984 7.863 4.916 1.00 0.00 C ATOM 630 O PHE B 5 26.191 7.035 4.512 1.00 0.00 O ATOM 631 CB PHE B 5 27.530 6.763 7.110 1.00 0.00 C ATOM 632 CG PHE B 5 27.315 6.901 8.598 1.00 0.00 C ATOM 633 CD1 PHE B 5 28.250 7.589 9.381 1.00 0.00 C ATOM 634 CD2 PHE B 5 26.179 6.342 9.195 1.00 0.00 C ATOM 635 CE1 PHE B 5 28.050 7.716 10.760 1.00 0.00 C ATOM 636 CE2 PHE B 5 25.978 6.469 10.575 1.00 0.00 C ATOM 637 CZ PHE B 5 26.914 7.156 11.357 1.00 0.00 C ATOM 0 H PHE B 5 25.101 8.039 6.797 1.00 0.00 H new ATOM 0 HA PHE B 5 28.011 8.810 6.517 1.00 0.00 H new ATOM 0 HB2 PHE B 5 26.899 5.967 6.714 1.00 0.00 H new ATOM 0 HB3 PHE B 5 28.563 6.481 6.907 1.00 0.00 H new ATOM 0 HD1 PHE B 5 29.126 8.022 8.920 1.00 0.00 H new ATOM 0 HD2 PHE B 5 25.457 5.812 8.591 1.00 0.00 H new ATOM 0 HE1 PHE B 5 28.772 8.246 11.364 1.00 0.00 H new ATOM 0 HE2 PHE B 5 25.102 6.037 11.036 1.00 0.00 H new ATOM 0 HZ PHE B 5 26.760 7.254 12.421 1.00 0.00 H new ATOM 647 N THR B 6 27.680 8.593 4.088 1.00 0.00 N ATOM 648 CA THR B 6 27.509 8.419 2.617 1.00 0.00 C ATOM 649 C THR B 6 28.856 8.105 1.960 1.00 0.00 C ATOM 650 O THR B 6 29.864 8.709 2.270 1.00 0.00 O ATOM 651 CB THR B 6 26.967 9.761 2.122 1.00 0.00 C ATOM 652 OG1 THR B 6 25.592 9.869 2.464 1.00 0.00 O ATOM 653 CG2 THR B 6 27.126 9.851 0.604 1.00 0.00 C ATOM 0 H THR B 6 28.359 9.302 4.366 1.00 0.00 H new ATOM 0 HA THR B 6 26.840 7.594 2.372 1.00 0.00 H new ATOM 0 HB THR B 6 27.524 10.573 2.590 1.00 0.00 H new ATOM 0 HG1 THR B 6 25.243 10.729 2.149 1.00 0.00 H new ATOM 0 HG21 THR B 6 26.739 10.808 0.254 1.00 0.00 H new ATOM 0 HG22 THR B 6 28.181 9.769 0.343 1.00 0.00 H new ATOM 0 HG23 THR B 6 26.571 9.040 0.131 1.00 0.00 H new ATOM 661 N LEU B 7 28.880 7.165 1.056 1.00 0.00 N ATOM 662 CA LEU B 7 30.162 6.813 0.380 1.00 0.00 C ATOM 663 C LEU B 7 30.023 6.978 -1.136 1.00 0.00 C ATOM 664 O LEU B 7 28.936 6.940 -1.677 1.00 0.00 O ATOM 665 CB LEU B 7 30.409 5.347 0.739 1.00 0.00 C ATOM 666 CG LEU B 7 31.442 5.265 1.864 1.00 0.00 C ATOM 667 CD1 LEU B 7 31.476 3.842 2.424 1.00 0.00 C ATOM 668 CD2 LEU B 7 32.823 5.629 1.313 1.00 0.00 C ATOM 0 H LEU B 7 28.068 6.625 0.756 1.00 0.00 H new ATOM 0 HA LEU B 7 30.985 7.454 0.695 1.00 0.00 H new ATOM 0 HB2 LEU B 7 29.477 4.876 1.051 1.00 0.00 H new ATOM 0 HB3 LEU B 7 30.764 4.802 -0.136 1.00 0.00 H new ATOM 0 HG LEU B 7 31.171 5.961 2.658 1.00 0.00 H new ATOM 0 HD11 LEU B 7 32.212 3.784 3.226 1.00 0.00 H new ATOM 0 HD12 LEU B 7 30.493 3.581 2.815 1.00 0.00 H new ATOM 0 HD13 LEU B 7 31.747 3.145 1.631 1.00 0.00 H new ATOM 0 HD21 LEU B 7 33.561 5.571 2.113 1.00 0.00 H new ATOM 0 HD22 LEU B 7 33.093 4.932 0.519 1.00 0.00 H new ATOM 0 HD23 LEU B 7 32.800 6.643 0.914 1.00 0.00 H new ATOM 680 N GLN B 8 31.116 7.160 -1.826 1.00 0.00 N ATOM 681 CA GLN B 8 31.044 7.328 -3.306 1.00 0.00 C ATOM 682 C GLN B 8 31.850 6.229 -4.005 1.00 0.00 C ATOM 683 O GLN B 8 32.983 5.960 -3.657 1.00 0.00 O ATOM 684 CB GLN B 8 31.659 8.701 -3.580 1.00 0.00 C ATOM 685 CG GLN B 8 30.802 9.785 -2.923 1.00 0.00 C ATOM 686 CD GLN B 8 30.821 11.046 -3.789 1.00 0.00 C ATOM 687 OE1 GLN B 8 31.284 11.019 -4.912 1.00 0.00 O ATOM 688 NE2 GLN B 8 30.334 12.158 -3.311 1.00 0.00 N ATOM 0 H GLN B 8 32.055 7.200 -1.430 1.00 0.00 H new ATOM 0 HA GLN B 8 30.022 7.257 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN B 8 32.676 8.740 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN B 8 31.723 8.875 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN B 8 29.779 9.430 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN B 8 31.182 10.010 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN B 8 29.945 12.181 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN B 8 30.342 13.004 -3.880 1.00 0.00 H new ATOM 697 N ILE B 9 31.275 5.593 -4.988 1.00 0.00 N ATOM 698 CA ILE B 9 32.008 4.514 -5.710 1.00 0.00 C ATOM 699 C ILE B 9 32.024 4.800 -7.214 1.00 0.00 C ATOM 700 O ILE B 9 31.115 5.402 -7.750 1.00 0.00 O ATOM 701 CB ILE B 9 31.222 3.236 -5.416 1.00 0.00 C ATOM 702 CG1 ILE B 9 31.235 2.967 -3.909 1.00 0.00 C ATOM 703 CG2 ILE B 9 31.868 2.059 -6.148 1.00 0.00 C ATOM 704 CD1 ILE B 9 29.809 2.690 -3.428 1.00 0.00 C ATOM 0 H ILE B 9 30.329 5.774 -5.323 1.00 0.00 H new ATOM 0 HA ILE B 9 33.047 4.436 -5.391 1.00 0.00 H new ATOM 0 HB ILE B 9 30.194 3.355 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE B 9 31.877 2.115 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE B 9 31.649 3.825 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE B 9 31.307 1.148 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE B 9 31.861 2.250 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE B 9 32.896 1.939 -5.807 1.00 0.00 H new ATOM 0 HD11 ILE B 9 29.818 2.498 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE B 9 29.180 3.555 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE B 9 29.412 1.819 -3.949 1.00 0.00 H new ATOM 716 N ARG B 10 33.050 4.375 -7.898 1.00 0.00 N ATOM 717 CA ARG B 10 33.121 4.625 -9.367 1.00 0.00 C ATOM 718 C ARG B 10 33.317 3.306 -10.121 1.00 0.00 C ATOM 719 O ARG B 10 34.127 3.210 -11.022 1.00 0.00 O ATOM 720 CB ARG B 10 34.334 5.538 -9.555 1.00 0.00 C ATOM 721 CG ARG B 10 35.619 4.729 -9.369 1.00 0.00 C ATOM 722 CD ARG B 10 36.590 5.509 -8.481 1.00 0.00 C ATOM 723 NE ARG B 10 37.653 5.992 -9.405 1.00 0.00 N ATOM 724 CZ ARG B 10 38.595 6.779 -8.962 1.00 0.00 C ATOM 725 NH1 ARG B 10 38.310 8.000 -8.601 1.00 0.00 N ATOM 726 NH2 ARG B 10 39.823 6.344 -8.879 1.00 0.00 N ATOM 0 H ARG B 10 33.842 3.866 -7.505 1.00 0.00 H new ATOM 0 HA ARG B 10 32.207 5.077 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG B 10 34.315 5.985 -10.549 1.00 0.00 H new ATOM 0 HB3 ARG B 10 34.300 6.357 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG B 10 35.391 3.764 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG B 10 36.077 4.527 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG B 10 36.090 6.341 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG B 10 37.006 4.875 -7.698 1.00 0.00 H new ATOM 0 HE ARG B 10 37.645 5.708 -10.385 1.00 0.00 H new ATOM 0 HH11 ARG B 10 37.350 8.340 -8.665 1.00 0.00 H new ATOM 0 HH12 ARG B 10 39.047 8.615 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG B 10 40.046 5.389 -9.160 1.00 0.00 H new ATOM 0 HH22 ARG B 10 40.560 6.959 -8.533 1.00 0.00 H new ATOM 740 N GLY B 11 32.583 2.290 -9.759 1.00 0.00 N ATOM 741 CA GLY B 11 32.728 0.980 -10.456 1.00 0.00 C ATOM 742 C GLY B 11 31.484 0.126 -10.203 1.00 0.00 C ATOM 743 O GLY B 11 31.296 -0.410 -9.129 1.00 0.00 O ATOM 0 H GLY B 11 31.889 2.310 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY B 11 32.862 1.138 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY B 11 33.617 0.462 -10.097 1.00 0.00 H new ATOM 747 N ARG B 12 30.634 -0.006 -11.184 1.00 0.00 N ATOM 748 CA ARG B 12 29.403 -0.827 -10.997 1.00 0.00 C ATOM 749 C ARG B 12 29.755 -2.162 -10.335 1.00 0.00 C ATOM 750 O ARG B 12 29.185 -2.536 -9.329 1.00 0.00 O ATOM 751 CB ARG B 12 28.857 -1.055 -12.406 1.00 0.00 C ATOM 752 CG ARG B 12 27.328 -1.058 -12.365 1.00 0.00 C ATOM 753 CD ARG B 12 26.781 -1.563 -13.702 1.00 0.00 C ATOM 754 NE ARG B 12 26.136 -2.867 -13.385 1.00 0.00 N ATOM 755 CZ ARG B 12 24.923 -3.113 -13.799 1.00 0.00 C ATOM 756 NH1 ARG B 12 24.032 -2.159 -13.816 1.00 0.00 N ATOM 757 NH2 ARG B 12 24.600 -4.314 -14.194 1.00 0.00 N ATOM 0 H ARG B 12 30.738 0.418 -12.106 1.00 0.00 H new ATOM 0 HA ARG B 12 28.673 -0.335 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG B 12 29.212 -0.272 -13.076 1.00 0.00 H new ATOM 0 HB3 ARG B 12 29.223 -2.003 -12.801 1.00 0.00 H new ATOM 0 HG2 ARG B 12 26.977 -1.695 -11.553 1.00 0.00 H new ATOM 0 HG3 ARG B 12 26.957 -0.053 -12.165 1.00 0.00 H new ATOM 0 HD2 ARG B 12 26.064 -0.860 -14.126 1.00 0.00 H new ATOM 0 HD3 ARG B 12 27.579 -1.685 -14.435 1.00 0.00 H new ATOM 0 HE ARG B 12 26.642 -3.568 -12.844 1.00 0.00 H new ATOM 0 HH11 ARG B 12 24.284 -1.221 -13.506 1.00 0.00 H new ATOM 0 HH12 ARG B 12 23.084 -2.352 -14.140 1.00 0.00 H new ATOM 0 HH21 ARG B 12 25.295 -5.060 -14.179 1.00 0.00 H new ATOM 0 HH22 ARG B 12 23.652 -4.507 -14.518 1.00 0.00 H new ATOM 771 N GLU B 13 30.692 -2.883 -10.889 1.00 0.00 N ATOM 772 CA GLU B 13 31.077 -4.190 -10.284 1.00 0.00 C ATOM 773 C GLU B 13 31.230 -4.037 -8.770 1.00 0.00 C ATOM 774 O GLU B 13 30.855 -4.905 -8.007 1.00 0.00 O ATOM 775 CB GLU B 13 32.416 -4.549 -10.929 1.00 0.00 C ATOM 776 CG GLU B 13 32.217 -5.714 -11.900 1.00 0.00 C ATOM 777 CD GLU B 13 31.551 -6.880 -11.169 1.00 0.00 C ATOM 778 OE1 GLU B 13 31.611 -6.901 -9.950 1.00 0.00 O ATOM 779 OE2 GLU B 13 30.993 -7.733 -11.839 1.00 0.00 O ATOM 0 H GLU B 13 31.206 -2.625 -11.731 1.00 0.00 H new ATOM 0 HA GLU B 13 30.328 -4.964 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU B 13 32.820 -3.686 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU B 13 33.141 -4.821 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU B 13 31.600 -5.399 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU B 13 33.177 -6.028 -12.309 1.00 0.00 H new ATOM 786 N ARG B 14 31.771 -2.935 -8.329 1.00 0.00 N ATOM 787 CA ARG B 14 31.937 -2.722 -6.864 1.00 0.00 C ATOM 788 C ARG B 14 30.612 -2.254 -6.261 1.00 0.00 C ATOM 789 O ARG B 14 30.094 -2.849 -5.338 1.00 0.00 O ATOM 790 CB ARG B 14 33.000 -1.631 -6.736 1.00 0.00 C ATOM 791 CG ARG B 14 34.384 -2.232 -6.986 1.00 0.00 C ATOM 792 CD ARG B 14 35.452 -1.329 -6.365 1.00 0.00 C ATOM 793 NE ARG B 14 35.451 -0.101 -7.207 1.00 0.00 N ATOM 794 CZ ARG B 14 35.997 0.997 -6.760 1.00 0.00 C ATOM 795 NH1 ARG B 14 35.872 1.324 -5.503 1.00 0.00 N ATOM 796 NH2 ARG B 14 36.668 1.768 -7.571 1.00 0.00 N ATOM 0 H ARG B 14 32.105 -2.173 -8.919 1.00 0.00 H new ATOM 0 HA ARG B 14 32.230 -3.632 -6.340 1.00 0.00 H new ATOM 0 HB2 ARG B 14 32.804 -0.833 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG B 14 32.960 -1.185 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG B 14 34.442 -3.231 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG B 14 34.559 -2.337 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG B 14 35.217 -1.096 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG B 14 36.429 -1.811 -6.371 1.00 0.00 H new ATOM 0 HE ARG B 14 35.024 -0.118 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG B 14 35.347 0.721 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG B 14 36.299 2.182 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG B 14 36.766 1.513 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG B 14 37.095 2.626 -7.222 1.00 0.00 H new ATOM 810 N PHE B 15 30.058 -1.195 -6.785 1.00 0.00 N ATOM 811 CA PHE B 15 28.762 -0.690 -6.249 1.00 0.00 C ATOM 812 C PHE B 15 27.785 -1.853 -6.069 1.00 0.00 C ATOM 813 O PHE B 15 27.141 -1.982 -5.047 1.00 0.00 O ATOM 814 CB PHE B 15 28.248 0.286 -7.307 1.00 0.00 C ATOM 815 CG PHE B 15 26.989 0.951 -6.807 1.00 0.00 C ATOM 816 CD1 PHE B 15 27.006 1.669 -5.606 1.00 0.00 C ATOM 817 CD2 PHE B 15 25.803 0.847 -7.543 1.00 0.00 C ATOM 818 CE1 PHE B 15 25.838 2.285 -5.141 1.00 0.00 C ATOM 819 CE2 PHE B 15 24.634 1.463 -7.078 1.00 0.00 C ATOM 820 CZ PHE B 15 24.652 2.181 -5.877 1.00 0.00 C ATOM 0 H PHE B 15 30.446 -0.658 -7.560 1.00 0.00 H new ATOM 0 HA PHE B 15 28.872 -0.210 -5.276 1.00 0.00 H new ATOM 0 HB2 PHE B 15 29.007 1.037 -7.524 1.00 0.00 H new ATOM 0 HB3 PHE B 15 28.047 -0.243 -8.239 1.00 0.00 H new ATOM 0 HD1 PHE B 15 27.921 1.748 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE B 15 25.789 0.292 -8.469 1.00 0.00 H new ATOM 0 HE1 PHE B 15 25.852 2.840 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE B 15 23.719 1.384 -7.646 1.00 0.00 H new ATOM 0 HZ PHE B 15 23.750 2.655 -5.518 1.00 0.00 H new ATOM 830 N GLU B 16 27.674 -2.705 -7.053 1.00 0.00 N ATOM 831 CA GLU B 16 26.741 -3.861 -6.930 1.00 0.00 C ATOM 832 C GLU B 16 26.888 -4.493 -5.545 1.00 0.00 C ATOM 833 O GLU B 16 25.919 -4.875 -4.919 1.00 0.00 O ATOM 834 CB GLU B 16 27.174 -4.841 -8.021 1.00 0.00 C ATOM 835 CG GLU B 16 26.700 -4.330 -9.383 1.00 0.00 C ATOM 836 CD GLU B 16 26.240 -5.511 -10.240 1.00 0.00 C ATOM 837 OE1 GLU B 16 26.484 -6.638 -9.841 1.00 0.00 O ATOM 838 OE2 GLU B 16 25.652 -5.268 -11.280 1.00 0.00 O ATOM 0 H GLU B 16 28.187 -2.651 -7.933 1.00 0.00 H new ATOM 0 HA GLU B 16 25.696 -3.571 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU B 16 28.259 -4.949 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU B 16 26.755 -5.828 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU B 16 25.882 -3.621 -9.253 1.00 0.00 H new ATOM 0 HG3 GLU B 16 27.508 -3.796 -9.884 1.00 0.00 H new ATOM 845 N GLN B 17 28.094 -4.596 -5.057 1.00 0.00 N ATOM 846 CA GLN B 17 28.303 -5.191 -3.708 1.00 0.00 C ATOM 847 C GLN B 17 27.702 -4.273 -2.642 1.00 0.00 C ATOM 848 O GLN B 17 27.045 -4.719 -1.723 1.00 0.00 O ATOM 849 CB GLN B 17 29.821 -5.286 -3.545 1.00 0.00 C ATOM 850 CG GLN B 17 30.267 -6.736 -3.743 1.00 0.00 C ATOM 851 CD GLN B 17 29.668 -7.609 -2.640 1.00 0.00 C ATOM 852 OE1 GLN B 17 29.242 -7.109 -1.617 1.00 0.00 O ATOM 853 NE2 GLN B 17 29.618 -8.903 -2.804 1.00 0.00 N ATOM 0 H GLN B 17 28.943 -4.294 -5.535 1.00 0.00 H new ATOM 0 HA GLN B 17 27.826 -6.165 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN B 17 30.316 -4.640 -4.270 1.00 0.00 H new ATOM 0 HB3 GLN B 17 30.113 -4.937 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN B 17 29.946 -7.096 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN B 17 31.355 -6.799 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN B 17 29.975 -9.322 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN B 17 29.221 -9.495 -2.074 1.00 0.00 H new ATOM 862 N PHE B 18 27.916 -2.991 -2.765 1.00 0.00 N ATOM 863 CA PHE B 18 27.349 -2.042 -1.765 1.00 0.00 C ATOM 864 C PHE B 18 25.830 -1.969 -1.924 1.00 0.00 C ATOM 865 O PHE B 18 25.087 -2.183 -0.987 1.00 0.00 O ATOM 866 CB PHE B 18 27.993 -0.692 -2.084 1.00 0.00 C ATOM 867 CG PHE B 18 29.484 -0.791 -1.873 1.00 0.00 C ATOM 868 CD1 PHE B 18 30.028 -0.549 -0.607 1.00 0.00 C ATOM 869 CD2 PHE B 18 30.320 -1.136 -2.941 1.00 0.00 C ATOM 870 CE1 PHE B 18 31.409 -0.651 -0.409 1.00 0.00 C ATOM 871 CE2 PHE B 18 31.701 -1.242 -2.742 1.00 0.00 C ATOM 872 CZ PHE B 18 32.246 -0.999 -1.475 1.00 0.00 C ATOM 0 H PHE B 18 28.458 -2.560 -3.514 1.00 0.00 H new ATOM 0 HA PHE B 18 27.549 -2.349 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE B 18 27.778 -0.407 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.574 0.085 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE B 18 29.382 -0.284 0.217 1.00 0.00 H new ATOM 0 HD2 PHE B 18 29.899 -1.320 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE B 18 31.830 -0.461 0.567 1.00 0.00 H new ATOM 0 HE2 PHE B 18 32.346 -1.511 -3.565 1.00 0.00 H new ATOM 0 HZ PHE B 18 33.312 -1.080 -1.321 1.00 0.00 H new ATOM 882 N ARG B 19 25.361 -1.677 -3.108 1.00 0.00 N ATOM 883 CA ARG B 19 23.888 -1.603 -3.322 1.00 0.00 C ATOM 884 C ARG B 19 23.213 -2.811 -2.672 1.00 0.00 C ATOM 885 O ARG B 19 22.362 -2.673 -1.815 1.00 0.00 O ATOM 886 CB ARG B 19 23.703 -1.635 -4.840 1.00 0.00 C ATOM 887 CG ARG B 19 22.310 -1.111 -5.195 1.00 0.00 C ATOM 888 CD ARG B 19 22.346 -0.463 -6.581 1.00 0.00 C ATOM 889 NE ARG B 19 21.142 -0.989 -7.282 1.00 0.00 N ATOM 890 CZ ARG B 19 20.325 -0.167 -7.883 1.00 0.00 C ATOM 891 NH1 ARG B 19 19.380 0.426 -7.205 1.00 0.00 N ATOM 892 NH2 ARG B 19 20.452 0.063 -9.161 1.00 0.00 N ATOM 0 H ARG B 19 25.932 -1.488 -3.932 1.00 0.00 H new ATOM 0 HA ARG B 19 23.446 -0.709 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG B 19 24.467 -1.025 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG B 19 23.826 -2.653 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG B 19 21.589 -1.928 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG B 19 21.982 -0.385 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG B 19 22.318 0.624 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG B 19 23.260 -0.724 -7.115 1.00 0.00 H new ATOM 0 HE ARG B 19 20.956 -1.992 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG B 19 19.280 0.247 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG B 19 18.742 1.068 -7.674 1.00 0.00 H new ATOM 0 HH21 ARG B 19 21.190 -0.400 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG B 19 19.813 0.705 -9.630 1.00 0.00 H new ATOM 906 N GLU B 20 23.593 -3.996 -3.065 1.00 0.00 N ATOM 907 CA GLU B 20 22.980 -5.211 -2.459 1.00 0.00 C ATOM 908 C GLU B 20 23.065 -5.122 -0.935 1.00 0.00 C ATOM 909 O GLU B 20 22.132 -5.449 -0.229 1.00 0.00 O ATOM 910 CB GLU B 20 23.818 -6.381 -2.978 1.00 0.00 C ATOM 911 CG GLU B 20 22.893 -7.517 -3.419 1.00 0.00 C ATOM 912 CD GLU B 20 23.618 -8.855 -3.267 1.00 0.00 C ATOM 913 OE1 GLU B 20 23.726 -9.324 -2.146 1.00 0.00 O ATOM 914 OE2 GLU B 20 24.054 -9.387 -4.275 1.00 0.00 O ATOM 0 H GLU B 20 24.300 -4.175 -3.778 1.00 0.00 H new ATOM 0 HA GLU B 20 21.928 -5.324 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU B 20 24.436 -6.056 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU B 20 24.495 -6.731 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU B 20 21.984 -7.514 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU B 20 22.590 -7.371 -4.456 1.00 0.00 H new ATOM 921 N ARG B 21 24.178 -4.671 -0.423 1.00 0.00 N ATOM 922 CA ARG B 21 24.322 -4.549 1.054 1.00 0.00 C ATOM 923 C ARG B 21 23.409 -3.435 1.570 1.00 0.00 C ATOM 924 O ARG B 21 22.705 -3.598 2.547 1.00 0.00 O ATOM 925 CB ARG B 21 25.792 -4.192 1.283 1.00 0.00 C ATOM 926 CG ARG B 21 26.547 -5.425 1.783 1.00 0.00 C ATOM 927 CD ARG B 21 26.276 -6.605 0.848 1.00 0.00 C ATOM 928 NE ARG B 21 25.814 -7.703 1.741 1.00 0.00 N ATOM 929 CZ ARG B 21 25.999 -8.948 1.394 1.00 0.00 C ATOM 930 NH1 ARG B 21 25.537 -9.381 0.253 1.00 0.00 N ATOM 931 NH2 ARG B 21 26.646 -9.757 2.187 1.00 0.00 N ATOM 0 H ARG B 21 24.993 -4.382 -0.964 1.00 0.00 H new ATOM 0 HA ARG B 21 24.044 -5.463 1.579 1.00 0.00 H new ATOM 0 HB2 ARG B 21 26.238 -3.831 0.356 1.00 0.00 H new ATOM 0 HB3 ARG B 21 25.872 -3.384 2.011 1.00 0.00 H new ATOM 0 HG2 ARG B 21 27.616 -5.218 1.823 1.00 0.00 H new ATOM 0 HG3 ARG B 21 26.231 -5.671 2.797 1.00 0.00 H new ATOM 0 HD2 ARG B 21 25.519 -6.355 0.105 1.00 0.00 H new ATOM 0 HD3 ARG B 21 27.175 -6.891 0.302 1.00 0.00 H new ATOM 0 HE ARG B 21 25.353 -7.483 2.624 1.00 0.00 H new ATOM 0 HH11 ARG B 21 25.032 -8.747 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG B 21 25.681 -10.353 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG B 21 27.007 -9.417 3.078 1.00 0.00 H new ATOM 0 HH22 ARG B 21 26.790 -10.730 1.916 1.00 0.00 H new ATOM 945 N ASN B 22 23.408 -2.305 0.914 1.00 0.00 N ATOM 946 CA ASN B 22 22.531 -1.185 1.362 1.00 0.00 C ATOM 947 C ASN B 22 21.146 -1.726 1.721 1.00 0.00 C ATOM 948 O ASN B 22 20.553 -1.339 2.708 1.00 0.00 O ATOM 949 CB ASN B 22 22.445 -0.243 0.161 1.00 0.00 C ATOM 950 CG ASN B 22 21.343 0.791 0.400 1.00 0.00 C ATOM 951 OD1 ASN B 22 20.184 0.445 0.509 1.00 0.00 O ATOM 952 ND2 ASN B 22 21.659 2.054 0.488 1.00 0.00 N ATOM 0 H ASN B 22 23.975 -2.110 0.089 1.00 0.00 H new ATOM 0 HA ASN B 22 22.919 -0.678 2.246 1.00 0.00 H new ATOM 0 HB2 ASN B 22 23.401 0.258 0.009 1.00 0.00 H new ATOM 0 HB3 ASN B 22 22.235 -0.811 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.932 2.752 0.648 1.00 0.00 H new ATOM 0 HD22 ASN B 22 22.633 2.344 0.396 1.00 0.00 H new ATOM 959 N GLU B 23 20.632 -2.626 0.929 1.00 0.00 N ATOM 960 CA GLU B 23 19.291 -3.202 1.225 1.00 0.00 C ATOM 961 C GLU B 23 19.420 -4.293 2.289 1.00 0.00 C ATOM 962 O GLU B 23 18.696 -4.314 3.264 1.00 0.00 O ATOM 963 CB GLU B 23 18.814 -3.795 -0.100 1.00 0.00 C ATOM 964 CG GLU B 23 17.399 -4.351 0.069 1.00 0.00 C ATOM 965 CD GLU B 23 16.386 -3.211 -0.049 1.00 0.00 C ATOM 966 OE1 GLU B 23 16.755 -2.084 0.237 1.00 0.00 O ATOM 967 OE2 GLU B 23 15.258 -3.484 -0.424 1.00 0.00 O ATOM 0 H GLU B 23 21.084 -2.988 0.089 1.00 0.00 H new ATOM 0 HA GLU B 23 18.592 -2.459 1.610 1.00 0.00 H new ATOM 0 HB2 GLU B 23 18.825 -3.031 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU B 23 19.491 -4.587 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU B 23 17.201 -5.108 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU B 23 17.302 -4.839 1.039 1.00 0.00 H new ATOM 974 N ALA B 24 20.345 -5.197 2.112 1.00 0.00 N ATOM 975 CA ALA B 24 20.527 -6.282 3.118 1.00 0.00 C ATOM 976 C ALA B 24 20.880 -5.673 4.476 1.00 0.00 C ATOM 977 O ALA B 24 20.350 -6.060 5.499 1.00 0.00 O ATOM 978 CB ALA B 24 21.687 -7.125 2.587 1.00 0.00 C ATOM 0 H ALA B 24 20.982 -5.231 1.316 1.00 0.00 H new ATOM 0 HA ALA B 24 19.626 -6.879 3.258 1.00 0.00 H new ATOM 0 HB1 ALA B 24 21.883 -7.948 3.275 1.00 0.00 H new ATOM 0 HB2 ALA B 24 21.427 -7.525 1.607 1.00 0.00 H new ATOM 0 HB3 ALA B 24 22.578 -6.504 2.500 1.00 0.00 H new ATOM 984 N LEU B 25 21.768 -4.716 4.493 1.00 0.00 N ATOM 985 CA LEU B 25 22.150 -4.076 5.783 1.00 0.00 C ATOM 986 C LEU B 25 20.935 -3.374 6.394 1.00 0.00 C ATOM 987 O LEU B 25 20.617 -3.556 7.552 1.00 0.00 O ATOM 988 CB LEU B 25 23.233 -3.060 5.420 1.00 0.00 C ATOM 989 CG LEU B 25 24.607 -3.726 5.502 1.00 0.00 C ATOM 990 CD1 LEU B 25 24.892 -4.132 6.949 1.00 0.00 C ATOM 991 CD2 LEU B 25 24.623 -4.971 4.613 1.00 0.00 C ATOM 0 H LEU B 25 22.245 -4.350 3.669 1.00 0.00 H new ATOM 0 HA LEU B 25 22.506 -4.799 6.517 1.00 0.00 H new ATOM 0 HB2 LEU B 25 23.063 -2.676 4.414 1.00 0.00 H new ATOM 0 HB3 LEU B 25 23.189 -2.208 6.099 1.00 0.00 H new ATOM 0 HG LEU B 25 25.371 -3.026 5.163 1.00 0.00 H new ATOM 0 HD11 LEU B 25 25.871 -4.607 7.008 1.00 0.00 H new ATOM 0 HD12 LEU B 25 24.879 -3.247 7.585 1.00 0.00 H new ATOM 0 HD13 LEU B 25 24.128 -4.832 7.287 1.00 0.00 H new ATOM 0 HD21 LEU B 25 25.602 -5.447 4.671 1.00 0.00 H new ATOM 0 HD22 LEU B 25 23.859 -5.670 4.953 1.00 0.00 H new ATOM 0 HD23 LEU B 25 24.419 -4.684 3.581 1.00 0.00 H new ATOM 1003 N GLU B 26 20.249 -2.577 5.622 1.00 0.00 N ATOM 1004 CA GLU B 26 19.052 -1.874 6.162 1.00 0.00 C ATOM 1005 C GLU B 26 18.204 -2.852 6.977 1.00 0.00 C ATOM 1006 O GLU B 26 17.770 -2.553 8.071 1.00 0.00 O ATOM 1007 CB GLU B 26 18.284 -1.391 4.931 1.00 0.00 C ATOM 1008 CG GLU B 26 17.307 -0.287 5.338 1.00 0.00 C ATOM 1009 CD GLU B 26 15.871 -0.780 5.153 1.00 0.00 C ATOM 1010 OE1 GLU B 26 15.695 -1.970 4.949 1.00 0.00 O ATOM 1011 OE2 GLU B 26 14.971 0.041 5.219 1.00 0.00 O ATOM 0 H GLU B 26 20.465 -2.383 4.644 1.00 0.00 H new ATOM 0 HA GLU B 26 19.315 -1.047 6.822 1.00 0.00 H new ATOM 0 HB2 GLU B 26 18.979 -1.017 4.180 1.00 0.00 H new ATOM 0 HB3 GLU B 26 17.742 -2.222 4.478 1.00 0.00 H new ATOM 0 HG2 GLU B 26 17.474 -0.004 6.377 1.00 0.00 H new ATOM 0 HG3 GLU B 26 17.477 0.604 4.734 1.00 0.00 H new ATOM 1018 N LEU B 27 17.972 -4.025 6.452 1.00 0.00 N ATOM 1019 CA LEU B 27 17.161 -5.030 7.196 1.00 0.00 C ATOM 1020 C LEU B 27 17.954 -5.548 8.398 1.00 0.00 C ATOM 1021 O LEU B 27 17.398 -5.888 9.423 1.00 0.00 O ATOM 1022 CB LEU B 27 16.907 -6.155 6.192 1.00 0.00 C ATOM 1023 CG LEU B 27 15.828 -7.093 6.735 1.00 0.00 C ATOM 1024 CD1 LEU B 27 14.893 -7.509 5.597 1.00 0.00 C ATOM 1025 CD2 LEU B 27 16.490 -8.339 7.330 1.00 0.00 C ATOM 0 H LEU B 27 18.310 -4.330 5.539 1.00 0.00 H new ATOM 0 HA LEU B 27 16.230 -4.614 7.581 1.00 0.00 H new ATOM 0 HB2 LEU B 27 16.593 -5.738 5.235 1.00 0.00 H new ATOM 0 HB3 LEU B 27 17.828 -6.710 6.011 1.00 0.00 H new ATOM 0 HG LEU B 27 15.255 -6.580 7.507 1.00 0.00 H new ATOM 0 HD11 LEU B 27 14.124 -8.178 5.984 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.423 -6.623 5.170 1.00 0.00 H new ATOM 0 HD13 LEU B 27 15.466 -8.023 4.825 1.00 0.00 H new ATOM 0 HD21 LEU B 27 15.722 -9.009 7.718 1.00 0.00 H new ATOM 0 HD22 LEU B 27 17.062 -8.852 6.557 1.00 0.00 H new ATOM 0 HD23 LEU B 27 17.157 -8.045 8.140 1.00 0.00 H new ATOM 1037 N LYS B 28 19.253 -5.606 8.278 1.00 0.00 N ATOM 1038 CA LYS B 28 20.088 -6.097 9.411 1.00 0.00 C ATOM 1039 C LYS B 28 19.955 -5.148 10.607 1.00 0.00 C ATOM 1040 O LYS B 28 19.930 -5.569 11.746 1.00 0.00 O ATOM 1041 CB LYS B 28 21.522 -6.099 8.869 1.00 0.00 C ATOM 1042 CG LYS B 28 22.522 -6.070 10.028 1.00 0.00 C ATOM 1043 CD LYS B 28 22.199 -7.196 11.012 1.00 0.00 C ATOM 1044 CE LYS B 28 23.262 -8.292 10.899 1.00 0.00 C ATOM 1045 NZ LYS B 28 23.391 -8.846 12.276 1.00 0.00 N ATOM 0 H LYS B 28 19.772 -5.334 7.443 1.00 0.00 H new ATOM 0 HA LYS B 28 19.787 -7.085 9.759 1.00 0.00 H new ATOM 0 HB2 LYS B 28 21.687 -6.987 8.258 1.00 0.00 H new ATOM 0 HB3 LYS B 28 21.676 -5.234 8.223 1.00 0.00 H new ATOM 0 HG2 LYS B 28 23.537 -6.185 9.649 1.00 0.00 H new ATOM 0 HG3 LYS B 28 22.478 -5.106 10.535 1.00 0.00 H new ATOM 0 HD2 LYS B 28 22.169 -6.807 12.030 1.00 0.00 H new ATOM 0 HD3 LYS B 28 21.212 -7.608 10.799 1.00 0.00 H new ATOM 0 HE2 LYS B 28 22.960 -9.063 10.190 1.00 0.00 H new ATOM 0 HE3 LYS B 28 24.210 -7.887 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 24.103 -9.604 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 23.686 -8.091 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 22.475 -9.230 12.583 1.00 0.00 H new ATOM 1059 N ASP B 29 19.866 -3.871 10.354 1.00 0.00 N ATOM 1060 CA ASP B 29 19.731 -2.897 11.475 1.00 0.00 C ATOM 1061 C ASP B 29 18.336 -3.000 12.097 1.00 0.00 C ATOM 1062 O ASP B 29 18.186 -3.065 13.301 1.00 0.00 O ATOM 1063 CB ASP B 29 19.934 -1.523 10.834 1.00 0.00 C ATOM 1064 CG ASP B 29 21.179 -0.861 11.427 1.00 0.00 C ATOM 1065 OD1 ASP B 29 22.042 -1.584 11.898 1.00 0.00 O ATOM 1066 OD2 ASP B 29 21.249 0.356 11.399 1.00 0.00 O ATOM 0 H ASP B 29 19.881 -3.460 9.421 1.00 0.00 H new ATOM 0 HA ASP B 29 20.450 -3.083 12.273 1.00 0.00 H new ATOM 0 HB2 ASP B 29 20.044 -1.626 9.754 1.00 0.00 H new ATOM 0 HB3 ASP B 29 19.059 -0.897 11.007 1.00 0.00 H new ATOM 1071 N ALA B 30 17.314 -3.017 11.285 1.00 0.00 N ATOM 1072 CA ALA B 30 15.930 -3.117 11.832 1.00 0.00 C ATOM 1073 C ALA B 30 15.737 -4.465 12.533 1.00 0.00 C ATOM 1074 O ALA B 30 14.754 -4.687 13.211 1.00 0.00 O ATOM 1075 CB ALA B 30 15.013 -3.009 10.614 1.00 0.00 C ATOM 0 H ALA B 30 17.377 -2.966 10.268 1.00 0.00 H new ATOM 0 HA ALA B 30 15.719 -2.342 12.569 1.00 0.00 H new ATOM 0 HB1 ALA B 30 13.973 -3.074 10.934 1.00 0.00 H new ATOM 0 HB2 ALA B 30 15.180 -2.054 10.116 1.00 0.00 H new ATOM 0 HB3 ALA B 30 15.231 -3.822 9.921 1.00 0.00 H new ATOM 1081 N GLN B 31 16.669 -5.364 12.376 1.00 0.00 N ATOM 1082 CA GLN B 31 16.539 -6.695 13.035 1.00 0.00 C ATOM 1083 C GLN B 31 17.395 -6.738 14.304 1.00 0.00 C ATOM 1084 O GLN B 31 17.105 -7.461 15.236 1.00 0.00 O ATOM 1085 CB GLN B 31 17.053 -7.701 12.005 1.00 0.00 C ATOM 1086 CG GLN B 31 15.901 -8.600 11.548 1.00 0.00 C ATOM 1087 CD GLN B 31 16.449 -9.727 10.670 1.00 0.00 C ATOM 1088 OE1 GLN B 31 17.155 -9.478 9.713 1.00 0.00 O ATOM 1089 NE2 GLN B 31 16.150 -10.965 10.956 1.00 0.00 N ATOM 0 H GLN B 31 17.515 -5.235 11.820 1.00 0.00 H new ATOM 0 HA GLN B 31 15.513 -6.911 13.335 1.00 0.00 H new ATOM 0 HB2 GLN B 31 17.480 -7.176 11.150 1.00 0.00 H new ATOM 0 HB3 GLN B 31 17.850 -8.305 12.438 1.00 0.00 H new ATOM 0 HG2 GLN B 31 15.386 -9.017 12.413 1.00 0.00 H new ATOM 0 HG3 GLN B 31 15.168 -8.015 10.992 1.00 0.00 H new ATOM 0 HE21 GLN B 31 15.557 -11.174 11.759 1.00 0.00 H new ATOM 0 HE22 GLN B 31 16.509 -11.723 10.376 1.00 0.00 H new