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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 22 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 22 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.48) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 14.530 3.714 -0.589 1.00 0.00 N ATOM 38 CA TYR A 4 15.845 3.010 -0.586 1.00 0.00 C ATOM 39 C TYR A 4 16.983 4.009 -0.356 1.00 0.00 C ATOM 40 O TYR A 4 16.757 5.156 -0.026 1.00 0.00 O ATOM 41 CB TYR A 4 15.958 2.379 -1.974 1.00 0.00 C ATOM 42 CG TYR A 4 16.066 3.468 -3.014 1.00 0.00 C ATOM 43 CD1 TYR A 4 17.320 3.993 -3.350 1.00 0.00 C ATOM 44 CD2 TYR A 4 14.913 3.952 -3.643 1.00 0.00 C ATOM 45 CE1 TYR A 4 17.420 5.003 -4.315 1.00 0.00 C ATOM 46 CE2 TYR A 4 15.013 4.962 -4.607 1.00 0.00 C ATOM 47 CZ TYR A 4 16.267 5.487 -4.943 1.00 0.00 C ATOM 48 OH TYR A 4 16.365 6.483 -5.894 1.00 0.00 O ATOM 0 HA TYR A 4 15.913 2.266 0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 4 16.832 1.729 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 4 15.087 1.755 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 4 18.210 3.619 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 4 13.946 3.546 -3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 4 18.387 5.408 -4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.123 5.336 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 4 15.471 6.702 -6.231 1.00 0.00 H new ATOM 58 N PHE A 5 18.203 3.581 -0.528 1.00 0.00 N ATOM 59 CA PHE A 5 19.355 4.505 -0.320 1.00 0.00 C ATOM 60 C PHE A 5 20.365 4.350 -1.461 1.00 0.00 C ATOM 61 O PHE A 5 20.363 3.365 -2.173 1.00 0.00 O ATOM 62 CB PHE A 5 19.975 4.075 1.011 1.00 0.00 C ATOM 63 CG PHE A 5 18.882 3.862 2.031 1.00 0.00 C ATOM 64 CD1 PHE A 5 18.237 2.622 2.117 1.00 0.00 C ATOM 65 CD2 PHE A 5 18.513 4.904 2.891 1.00 0.00 C ATOM 66 CE1 PHE A 5 17.224 2.424 3.062 1.00 0.00 C ATOM 67 CE2 PHE A 5 17.499 4.705 3.836 1.00 0.00 C ATOM 68 CZ PHE A 5 16.854 3.465 3.922 1.00 0.00 C ATOM 0 H PHE A 5 18.453 2.631 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 5 19.050 5.551 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 5 20.547 3.157 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 5 20.672 4.836 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 5 18.521 1.818 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 5 19.010 5.860 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 5 16.727 1.467 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 5 17.214 5.508 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 5 16.072 3.312 4.651 1.00 0.00 H new ATOM 78 N THR A 6 21.226 5.314 -1.643 1.00 0.00 N ATOM 79 CA THR A 6 22.230 5.215 -2.742 1.00 0.00 C ATOM 80 C THR A 6 23.619 5.611 -2.234 1.00 0.00 C ATOM 81 O THR A 6 23.799 6.652 -1.634 1.00 0.00 O ATOM 82 CB THR A 6 21.750 6.201 -3.809 1.00 0.00 C ATOM 83 OG1 THR A 6 22.736 6.311 -4.826 1.00 0.00 O ATOM 84 CG2 THR A 6 21.516 7.572 -3.173 1.00 0.00 C ATOM 0 H THR A 6 21.278 6.163 -1.081 1.00 0.00 H new ATOM 0 HA THR A 6 22.313 4.200 -3.131 1.00 0.00 H new ATOM 0 HB THR A 6 20.817 5.841 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 6 22.430 6.941 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.174 8.273 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 6 20.760 7.487 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 6 22.447 7.935 -2.738 1.00 0.00 H new ATOM 92 N LEU A 7 24.603 4.788 -2.473 1.00 0.00 N ATOM 93 CA LEU A 7 25.981 5.115 -2.010 1.00 0.00 C ATOM 94 C LEU A 7 26.925 5.221 -3.211 1.00 0.00 C ATOM 95 O LEU A 7 26.806 4.486 -4.171 1.00 0.00 O ATOM 96 CB LEU A 7 26.385 3.947 -1.110 1.00 0.00 C ATOM 97 CG LEU A 7 27.519 4.385 -0.182 1.00 0.00 C ATOM 98 CD1 LEU A 7 27.255 3.861 1.231 1.00 0.00 C ATOM 99 CD2 LEU A 7 28.845 3.818 -0.695 1.00 0.00 C ATOM 0 H LEU A 7 24.512 3.902 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 7 26.027 6.068 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 7 25.529 3.614 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.705 3.100 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 7 27.571 5.474 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 7 28.064 4.173 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.311 4.263 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.203 2.772 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 7 29.654 4.130 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.792 2.729 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 7 29.035 4.191 -1.702 1.00 0.00 H new ATOM 111 N GLN A 8 27.860 6.130 -3.168 1.00 0.00 N ATOM 112 CA GLN A 8 28.805 6.280 -4.311 1.00 0.00 C ATOM 113 C GLN A 8 30.252 6.262 -3.811 1.00 0.00 C ATOM 114 O GLN A 8 30.580 6.858 -2.804 1.00 0.00 O ATOM 115 CB GLN A 8 28.466 7.638 -4.928 1.00 0.00 C ATOM 116 CG GLN A 8 26.955 7.736 -5.146 1.00 0.00 C ATOM 117 CD GLN A 8 26.673 8.509 -6.436 1.00 0.00 C ATOM 118 OE1 GLN A 8 26.928 9.694 -6.517 1.00 0.00 O ATOM 119 NE2 GLN A 8 26.152 7.883 -7.456 1.00 0.00 N ATOM 0 H GLN A 8 28.011 6.775 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 8 28.711 5.469 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 8 28.803 8.441 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.990 7.760 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 8 26.520 6.738 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 8 26.487 8.238 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 8 25.938 6.888 -7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.959 8.389 -8.321 1.00 0.00 H new ATOM 128 N ILE A 9 31.120 5.580 -4.507 1.00 0.00 N ATOM 129 CA ILE A 9 32.546 5.521 -4.074 1.00 0.00 C ATOM 130 C ILE A 9 33.468 5.857 -5.250 1.00 0.00 C ATOM 131 O ILE A 9 33.135 5.631 -6.396 1.00 0.00 O ATOM 132 CB ILE A 9 32.762 4.078 -3.618 1.00 0.00 C ATOM 133 CG1 ILE A 9 31.701 3.710 -2.578 1.00 0.00 C ATOM 134 CG2 ILE A 9 34.153 3.940 -2.996 1.00 0.00 C ATOM 135 CD1 ILE A 9 30.793 2.614 -3.140 1.00 0.00 C ATOM 0 H ILE A 9 30.904 5.060 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 9 32.768 6.236 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 9 32.681 3.410 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 9 32.179 3.366 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 9 31.110 4.589 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 9 34.306 2.911 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 9 34.910 4.204 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 9 34.236 4.607 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 9 30.038 2.352 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 9 30.304 2.975 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 9 31.390 1.733 -3.377 1.00 0.00 H new ATOM 147 N ARG A 10 34.625 6.395 -4.976 1.00 0.00 N ATOM 148 CA ARG A 10 35.565 6.744 -6.080 1.00 0.00 C ATOM 149 C ARG A 10 36.888 5.992 -5.910 1.00 0.00 C ATOM 150 O ARG A 10 37.792 6.117 -6.712 1.00 0.00 O ATOM 151 CB ARG A 10 35.785 8.251 -5.952 1.00 0.00 C ATOM 152 CG ARG A 10 36.974 8.668 -6.820 1.00 0.00 C ATOM 153 CD ARG A 10 37.081 10.193 -6.841 1.00 0.00 C ATOM 154 NE ARG A 10 38.489 10.474 -7.238 1.00 0.00 N ATOM 155 CZ ARG A 10 38.739 11.173 -8.312 1.00 0.00 C ATOM 156 NH1 ARG A 10 38.707 10.601 -9.485 1.00 0.00 N ATOM 157 NH2 ARG A 10 39.023 12.442 -8.213 1.00 0.00 N ATOM 0 H ARG A 10 34.960 6.608 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 10 35.170 6.471 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 10 34.889 8.788 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 10 35.971 8.515 -4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 10 37.894 8.234 -6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 10 36.849 8.288 -7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 36.377 10.629 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 10 36.854 10.618 -5.863 1.00 0.00 H new ATOM 0 HE ARG A 10 39.259 10.120 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 10 38.487 9.608 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 10 38.902 11.147 -10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 10 39.050 12.889 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 10 39.218 12.988 -9.052 1.00 0.00 H new ATOM 171 N GLY A 11 37.009 5.212 -4.871 1.00 0.00 N ATOM 172 CA GLY A 11 38.273 4.454 -4.650 1.00 0.00 C ATOM 173 C GLY A 11 38.006 2.957 -4.813 1.00 0.00 C ATOM 174 O GLY A 11 37.122 2.403 -4.189 1.00 0.00 O ATOM 0 H GLY A 11 36.287 5.067 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 11 39.033 4.778 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 11 38.662 4.658 -3.653 1.00 0.00 H new ATOM 178 N ARG A 12 38.762 2.296 -5.646 1.00 0.00 N ATOM 179 CA ARG A 12 38.549 0.834 -5.847 1.00 0.00 C ATOM 180 C ARG A 12 38.974 0.059 -4.597 1.00 0.00 C ATOM 181 O ARG A 12 38.366 -0.926 -4.229 1.00 0.00 O ATOM 182 CB ARG A 12 39.436 0.464 -7.037 1.00 0.00 C ATOM 183 CG ARG A 12 39.007 -0.895 -7.591 1.00 0.00 C ATOM 184 CD ARG A 12 39.381 -0.984 -9.072 1.00 0.00 C ATOM 185 NE ARG A 12 38.241 -1.693 -9.715 1.00 0.00 N ATOM 186 CZ ARG A 12 38.464 -2.719 -10.490 1.00 0.00 C ATOM 187 NH1 ARG A 12 39.260 -2.600 -11.517 1.00 0.00 N ATOM 188 NH2 ARG A 12 37.891 -3.864 -10.238 1.00 0.00 N ATOM 0 H ARG A 12 39.518 2.704 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 12 37.502 0.591 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 12 39.358 1.226 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 12 40.481 0.429 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 12 39.492 -1.696 -7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 12 37.932 -1.027 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 12 39.523 0.007 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 12 40.314 -1.530 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 12 37.285 -1.377 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 12 39.708 -1.705 -11.714 1.00 0.00 H new ATOM 0 HH12 ARG A 12 39.434 -3.402 -12.123 1.00 0.00 H new ATOM 0 HH21 ARG A 12 37.269 -3.957 -9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 12 38.065 -4.666 -10.844 1.00 0.00 H new ATOM 202 N GLU A 13 40.015 0.496 -3.943 1.00 0.00 N ATOM 203 CA GLU A 13 40.479 -0.216 -2.718 1.00 0.00 C ATOM 204 C GLU A 13 39.400 -0.162 -1.632 1.00 0.00 C ATOM 205 O GLU A 13 39.218 -1.097 -0.877 1.00 0.00 O ATOM 206 CB GLU A 13 41.731 0.541 -2.272 1.00 0.00 C ATOM 207 CG GLU A 13 42.838 0.353 -3.312 1.00 0.00 C ATOM 208 CD GLU A 13 44.180 0.160 -2.601 1.00 0.00 C ATOM 209 OE1 GLU A 13 44.525 1.005 -1.792 1.00 0.00 O ATOM 210 OE2 GLU A 13 44.838 -0.828 -2.879 1.00 0.00 O ATOM 0 H GLU A 13 40.564 1.315 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 13 40.685 -1.270 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 13 41.505 1.601 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 42.064 0.175 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 13 42.619 -0.511 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 13 42.885 1.221 -3.970 1.00 0.00 H new ATOM 217 N ARG A 14 38.678 0.922 -1.553 1.00 0.00 N ATOM 218 CA ARG A 14 37.607 1.034 -0.526 1.00 0.00 C ATOM 219 C ARG A 14 36.342 0.347 -1.038 1.00 0.00 C ATOM 220 O ARG A 14 35.647 -0.336 -0.306 1.00 0.00 O ATOM 221 CB ARG A 14 37.377 2.536 -0.354 1.00 0.00 C ATOM 222 CG ARG A 14 38.578 3.160 0.360 1.00 0.00 C ATOM 223 CD ARG A 14 39.673 3.477 -0.661 1.00 0.00 C ATOM 224 NE ARG A 14 40.645 4.334 0.073 1.00 0.00 N ATOM 225 CZ ARG A 14 41.726 4.755 -0.526 1.00 0.00 C ATOM 226 NH1 ARG A 14 41.664 5.197 -1.752 1.00 0.00 N ATOM 227 NH2 ARG A 14 42.869 4.735 0.103 1.00 0.00 N ATOM 0 H ARG A 14 38.785 1.736 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 14 37.875 0.561 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 14 37.235 3.006 -1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 14 36.468 2.712 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 14 38.274 4.070 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 14 38.960 2.475 1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 14 40.147 2.566 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 14 39.266 3.996 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 14 40.466 4.592 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 14 40.770 5.214 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 14 42.509 5.526 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 14 42.917 4.391 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 14 43.714 5.064 -0.364 1.00 0.00 H new ATOM 241 N PHE A 15 36.043 0.513 -2.297 1.00 0.00 N ATOM 242 CA PHE A 15 34.832 -0.140 -2.852 1.00 0.00 C ATOM 243 C PHE A 15 34.854 -1.623 -2.488 1.00 0.00 C ATOM 244 O PHE A 15 33.877 -2.175 -2.024 1.00 0.00 O ATOM 245 CB PHE A 15 34.920 0.048 -4.366 1.00 0.00 C ATOM 246 CG PHE A 15 33.676 -0.517 -5.006 1.00 0.00 C ATOM 247 CD1 PHE A 15 32.417 -0.036 -4.629 1.00 0.00 C ATOM 248 CD2 PHE A 15 33.780 -1.527 -5.969 1.00 0.00 C ATOM 249 CE1 PHE A 15 31.262 -0.563 -5.216 1.00 0.00 C ATOM 250 CE2 PHE A 15 32.624 -2.055 -6.556 1.00 0.00 C ATOM 251 CZ PHE A 15 31.365 -1.573 -6.179 1.00 0.00 C ATOM 0 H PHE A 15 36.583 1.070 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 15 33.908 0.284 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 15 35.020 1.106 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 15 35.805 -0.454 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 15 32.337 0.742 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 15 34.752 -1.899 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 15 30.291 -0.190 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 15 32.703 -2.834 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 15 30.473 -1.981 -6.631 1.00 0.00 H new ATOM 261 N GLU A 16 35.973 -2.269 -2.680 1.00 0.00 N ATOM 262 CA GLU A 16 36.063 -3.711 -2.326 1.00 0.00 C ATOM 263 C GLU A 16 35.427 -3.927 -0.955 1.00 0.00 C ATOM 264 O GLU A 16 34.765 -4.916 -0.712 1.00 0.00 O ATOM 265 CB GLU A 16 37.560 -4.021 -2.280 1.00 0.00 C ATOM 266 CG GLU A 16 38.073 -4.278 -3.698 1.00 0.00 C ATOM 267 CD GLU A 16 38.438 -5.756 -3.847 1.00 0.00 C ATOM 268 OE1 GLU A 16 37.530 -6.562 -3.966 1.00 0.00 O ATOM 269 OE2 GLU A 16 39.620 -6.057 -3.839 1.00 0.00 O ATOM 0 H GLU A 16 36.824 -1.860 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 16 35.546 -4.355 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.101 -3.188 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.742 -4.893 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.310 -4.005 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.944 -3.655 -3.900 1.00 0.00 H new ATOM 276 N GLN A 17 35.614 -2.994 -0.059 1.00 0.00 N ATOM 277 CA GLN A 17 35.007 -3.132 1.294 1.00 0.00 C ATOM 278 C GLN A 17 33.483 -3.084 1.175 1.00 0.00 C ATOM 279 O GLN A 17 32.783 -3.946 1.669 1.00 0.00 O ATOM 280 CB GLN A 17 35.525 -1.933 2.089 1.00 0.00 C ATOM 281 CG GLN A 17 37.050 -1.874 1.987 1.00 0.00 C ATOM 282 CD GLN A 17 37.629 -1.321 3.290 1.00 0.00 C ATOM 283 OE1 GLN A 17 37.165 -0.319 3.798 1.00 0.00 O ATOM 284 NE2 GLN A 17 38.631 -1.936 3.857 1.00 0.00 N ATOM 0 H GLN A 17 36.160 -2.145 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 17 35.266 -4.074 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.088 -1.012 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.223 -2.017 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.451 -2.869 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.345 -1.242 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 17 39.020 -2.777 3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 17 39.025 -1.576 4.726 1.00 0.00 H new ATOM 293 N PHE A 18 32.965 -2.087 0.508 1.00 0.00 N ATOM 294 CA PHE A 18 31.485 -1.994 0.345 1.00 0.00 C ATOM 295 C PHE A 18 30.999 -3.110 -0.584 1.00 0.00 C ATOM 296 O PHE A 18 30.102 -3.860 -0.253 1.00 0.00 O ATOM 297 CB PHE A 18 31.235 -0.622 -0.281 1.00 0.00 C ATOM 298 CG PHE A 18 31.694 0.454 0.673 1.00 0.00 C ATOM 299 CD1 PHE A 18 33.025 0.886 0.650 1.00 0.00 C ATOM 300 CD2 PHE A 18 30.790 1.018 1.581 1.00 0.00 C ATOM 301 CE1 PHE A 18 33.453 1.883 1.535 1.00 0.00 C ATOM 302 CE2 PHE A 18 31.218 2.014 2.467 1.00 0.00 C ATOM 303 CZ PHE A 18 32.549 2.447 2.443 1.00 0.00 C ATOM 0 H PHE A 18 33.500 -1.336 0.071 1.00 0.00 H new ATOM 0 HA PHE A 18 30.953 -2.105 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.771 -0.538 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.175 -0.499 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 18 33.722 0.450 -0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.763 0.685 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 18 34.480 2.217 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.521 2.448 3.169 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.879 3.217 3.125 1.00 0.00 H new ATOM 313 N ARG A 19 31.593 -3.232 -1.742 1.00 0.00 N ATOM 314 CA ARG A 19 31.174 -4.307 -2.686 1.00 0.00 C ATOM 315 C ARG A 19 30.965 -5.615 -1.919 1.00 0.00 C ATOM 316 O ARG A 19 29.859 -6.108 -1.801 1.00 0.00 O ATOM 317 CB ARG A 19 32.337 -4.441 -3.670 1.00 0.00 C ATOM 318 CG ARG A 19 32.084 -5.624 -4.607 1.00 0.00 C ATOM 319 CD ARG A 19 30.946 -5.278 -5.569 1.00 0.00 C ATOM 320 NE ARG A 19 30.144 -6.527 -5.678 1.00 0.00 N ATOM 321 CZ ARG A 19 29.510 -6.800 -6.786 1.00 0.00 C ATOM 322 NH1 ARG A 19 28.349 -6.256 -7.024 1.00 0.00 N ATOM 323 NH2 ARG A 19 30.039 -7.617 -7.655 1.00 0.00 N ATOM 0 H ARG A 19 32.350 -2.634 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 19 30.237 -4.078 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.445 -3.523 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 19 33.271 -4.588 -3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.989 -5.858 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 19 31.828 -6.512 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 19 30.343 -4.454 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 19 31.330 -4.969 -6.541 1.00 0.00 H new ATOM 0 HE ARG A 19 30.090 -7.169 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 19 27.936 -5.617 -6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 19 27.854 -6.469 -7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 19 30.947 -8.042 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 19 29.544 -7.831 -8.521 1.00 0.00 H new ATOM 337 N GLU A 20 32.017 -6.176 -1.386 1.00 0.00 N ATOM 338 CA GLU A 20 31.871 -7.443 -0.617 1.00 0.00 C ATOM 339 C GLU A 20 30.665 -7.332 0.316 1.00 0.00 C ATOM 340 O GLU A 20 29.811 -8.195 0.351 1.00 0.00 O ATOM 341 CB GLU A 20 33.165 -7.575 0.186 1.00 0.00 C ATOM 342 CG GLU A 20 34.329 -7.871 -0.762 1.00 0.00 C ATOM 343 CD GLU A 20 35.652 -7.727 -0.007 1.00 0.00 C ATOM 344 OE1 GLU A 20 35.606 -7.549 1.200 1.00 0.00 O ATOM 345 OE2 GLU A 20 36.688 -7.796 -0.647 1.00 0.00 O ATOM 0 H GLU A 20 32.968 -5.812 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 20 31.710 -8.310 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.358 -6.655 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 33.069 -8.374 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 20 34.236 -8.879 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 20 34.305 -7.186 -1.609 1.00 0.00 H new ATOM 352 N ARG A 21 30.585 -6.265 1.065 1.00 0.00 N ATOM 353 CA ARG A 21 29.428 -6.090 1.986 1.00 0.00 C ATOM 354 C ARG A 21 28.125 -6.157 1.186 1.00 0.00 C ATOM 355 O ARG A 21 27.140 -6.714 1.629 1.00 0.00 O ATOM 356 CB ARG A 21 29.614 -4.702 2.601 1.00 0.00 C ATOM 357 CG ARG A 21 28.624 -4.517 3.753 1.00 0.00 C ATOM 358 CD ARG A 21 29.141 -5.246 4.995 1.00 0.00 C ATOM 359 NE ARG A 21 28.823 -4.339 6.132 1.00 0.00 N ATOM 360 CZ ARG A 21 29.146 -4.679 7.349 1.00 0.00 C ATOM 361 NH1 ARG A 21 29.147 -5.937 7.696 1.00 0.00 N ATOM 362 NH2 ARG A 21 29.469 -3.762 8.220 1.00 0.00 N ATOM 0 H ARG A 21 31.270 -5.509 1.078 1.00 0.00 H new ATOM 0 HA ARG A 21 29.379 -6.864 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.636 -4.587 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.456 -3.933 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.495 -3.456 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 21 27.646 -4.906 3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 21 28.656 -6.215 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 21 30.213 -5.432 4.926 1.00 0.00 H new ATOM 0 HE ARG A 21 28.352 -3.451 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 21 28.895 -6.654 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 21 29.400 -6.203 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 21 29.469 -2.779 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 21 29.721 -4.029 9.172 1.00 0.00 H new ATOM 376 N ASN A 22 28.118 -5.601 0.004 1.00 0.00 N ATOM 377 CA ASN A 22 26.883 -5.646 -0.829 1.00 0.00 C ATOM 378 C ASN A 22 26.402 -7.092 -0.944 1.00 0.00 C ATOM 379 O ASN A 22 25.254 -7.398 -0.690 1.00 0.00 O ATOM 380 CB ASN A 22 27.302 -5.106 -2.196 1.00 0.00 C ATOM 381 CG ASN A 22 26.079 -4.535 -2.917 1.00 0.00 C ATOM 382 OD1 ASN A 22 25.771 -4.933 -4.023 1.00 0.00 O ATOM 383 ND2 ASN A 22 25.365 -3.613 -2.333 1.00 0.00 N ATOM 0 H ASN A 22 28.911 -5.119 -0.419 1.00 0.00 H new ATOM 0 HA ASN A 22 26.066 -5.063 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 22 28.061 -4.332 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.750 -5.902 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 22 24.548 -3.226 -2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 22 25.624 -3.279 -1.405 1.00 0.00 H new ATOM 390 N GLU A 23 27.278 -7.987 -1.314 1.00 0.00 N ATOM 391 CA GLU A 23 26.873 -9.416 -1.429 1.00 0.00 C ATOM 392 C GLU A 23 26.324 -9.898 -0.085 1.00 0.00 C ATOM 393 O GLU A 23 25.276 -10.509 -0.011 1.00 0.00 O ATOM 394 CB GLU A 23 28.156 -10.166 -1.790 1.00 0.00 C ATOM 395 CG GLU A 23 27.863 -11.176 -2.901 1.00 0.00 C ATOM 396 CD GLU A 23 27.013 -12.318 -2.341 1.00 0.00 C ATOM 397 OE1 GLU A 23 27.446 -12.938 -1.384 1.00 0.00 O ATOM 398 OE2 GLU A 23 25.943 -12.553 -2.879 1.00 0.00 O ATOM 0 H GLU A 23 28.253 -7.791 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 23 26.094 -9.575 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 23 28.921 -9.462 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 28.549 -10.679 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 23 27.339 -10.687 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 23 28.796 -11.568 -3.306 1.00 0.00 H new ATOM 405 N ALA A 24 27.022 -9.613 0.981 1.00 0.00 N ATOM 406 CA ALA A 24 26.536 -10.039 2.323 1.00 0.00 C ATOM 407 C ALA A 24 25.123 -9.500 2.549 1.00 0.00 C ATOM 408 O ALA A 24 24.220 -10.227 2.912 1.00 0.00 O ATOM 409 CB ALA A 24 27.517 -9.416 3.316 1.00 0.00 C ATOM 0 H ALA A 24 27.906 -9.104 0.980 1.00 0.00 H new ATOM 0 HA ALA A 24 26.490 -11.123 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.226 -9.684 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 24 28.522 -9.787 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 24 27.503 -8.331 3.209 1.00 0.00 H new ATOM 415 N LEU A 25 24.924 -8.228 2.327 1.00 0.00 N ATOM 416 CA LEU A 25 23.567 -7.644 2.517 1.00 0.00 C ATOM 417 C LEU A 25 22.523 -8.548 1.856 1.00 0.00 C ATOM 418 O LEU A 25 21.509 -8.873 2.441 1.00 0.00 O ATOM 419 CB LEU A 25 23.626 -6.279 1.824 1.00 0.00 C ATOM 420 CG LEU A 25 22.208 -5.791 1.520 1.00 0.00 C ATOM 421 CD1 LEU A 25 22.186 -4.262 1.507 1.00 0.00 C ATOM 422 CD2 LEU A 25 21.773 -6.317 0.151 1.00 0.00 C ATOM 0 H LEU A 25 25.642 -7.570 2.023 1.00 0.00 H new ATOM 0 HA LEU A 25 23.289 -7.549 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 25 24.139 -5.559 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.201 -6.354 0.901 1.00 0.00 H new ATOM 0 HG LEU A 25 21.525 -6.158 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.176 -3.914 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.498 -3.885 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.868 -3.895 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.763 -5.971 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 25 22.457 -5.949 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.789 -7.407 0.158 1.00 0.00 H new ATOM 434 N GLU A 26 22.771 -8.962 0.644 1.00 0.00 N ATOM 435 CA GLU A 26 21.800 -9.853 -0.052 1.00 0.00 C ATOM 436 C GLU A 26 21.504 -11.074 0.820 1.00 0.00 C ATOM 437 O GLU A 26 20.364 -11.392 1.095 1.00 0.00 O ATOM 438 CB GLU A 26 22.502 -10.274 -1.344 1.00 0.00 C ATOM 439 CG GLU A 26 21.554 -10.075 -2.529 1.00 0.00 C ATOM 440 CD GLU A 26 22.019 -10.939 -3.702 1.00 0.00 C ATOM 441 OE1 GLU A 26 22.809 -10.453 -4.494 1.00 0.00 O ATOM 442 OE2 GLU A 26 21.577 -12.073 -3.789 1.00 0.00 O ATOM 0 H GLU A 26 23.603 -8.722 0.106 1.00 0.00 H new ATOM 0 HA GLU A 26 20.849 -9.359 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.408 -9.685 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.808 -11.318 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.537 -10.345 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.535 -9.025 -2.821 1.00 0.00 H new ATOM 449 N LEU A 27 22.525 -11.757 1.262 1.00 0.00 N ATOM 450 CA LEU A 27 22.303 -12.954 2.123 1.00 0.00 C ATOM 451 C LEU A 27 21.779 -12.518 3.493 1.00 0.00 C ATOM 452 O LEU A 27 21.100 -13.260 4.175 1.00 0.00 O ATOM 453 CB LEU A 27 23.677 -13.610 2.255 1.00 0.00 C ATOM 454 CG LEU A 27 23.566 -15.100 1.926 1.00 0.00 C ATOM 455 CD1 LEU A 27 24.912 -15.613 1.411 1.00 0.00 C ATOM 456 CD2 LEU A 27 23.177 -15.871 3.189 1.00 0.00 C ATOM 0 H LEU A 27 23.502 -11.539 1.065 1.00 0.00 H new ATOM 0 HA LEU A 27 21.568 -13.640 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.387 -13.130 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 27 24.059 -13.478 3.267 1.00 0.00 H new ATOM 0 HG LEU A 27 22.805 -15.247 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.831 -16.675 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.191 -15.063 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.674 -15.467 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.097 -16.933 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.939 -15.723 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.218 -15.507 3.556 1.00 0.00 H new ATOM 468 N LYS A 28 22.089 -11.317 3.900 1.00 0.00 N ATOM 469 CA LYS A 28 21.608 -10.829 5.224 1.00 0.00 C ATOM 470 C LYS A 28 20.118 -10.486 5.146 1.00 0.00 C ATOM 471 O LYS A 28 19.395 -10.588 6.117 1.00 0.00 O ATOM 472 CB LYS A 28 22.434 -9.573 5.508 1.00 0.00 C ATOM 473 CG LYS A 28 21.797 -8.791 6.657 1.00 0.00 C ATOM 474 CD LYS A 28 21.770 -9.661 7.914 1.00 0.00 C ATOM 475 CE LYS A 28 20.409 -9.527 8.601 1.00 0.00 C ATOM 476 NZ LYS A 28 20.190 -10.837 9.275 1.00 0.00 N ATOM 0 H LYS A 28 22.655 -10.652 3.372 1.00 0.00 H new ATOM 0 HA LYS A 28 21.723 -11.577 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.457 -9.848 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 22.486 -8.950 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 28 22.361 -7.878 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.784 -8.490 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.955 -10.703 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.564 -9.358 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.408 -8.708 9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.620 -9.318 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.275 -10.824 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.189 -11.597 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.952 -11.006 9.962 1.00 0.00 H new ATOM 490 N ASP A 29 19.654 -10.082 3.995 1.00 0.00 N ATOM 491 CA ASP A 29 18.211 -9.735 3.853 1.00 0.00 C ATOM 492 C ASP A 29 17.372 -11.012 3.767 1.00 0.00 C ATOM 493 O ASP A 29 16.344 -11.135 4.403 1.00 0.00 O ATOM 494 CB ASP A 29 18.120 -8.945 2.548 1.00 0.00 C ATOM 495 CG ASP A 29 17.323 -7.661 2.784 1.00 0.00 C ATOM 496 OD1 ASP A 29 16.222 -7.756 3.300 1.00 0.00 O ATOM 497 OD2 ASP A 29 17.829 -6.603 2.446 1.00 0.00 O ATOM 0 H ASP A 29 20.211 -9.977 3.147 1.00 0.00 H new ATOM 0 HA ASP A 29 17.836 -9.162 4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.119 -8.704 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.639 -9.548 1.778 1.00 0.00 H new ATOM 502 N ALA A 30 17.805 -11.966 2.988 1.00 0.00 N ATOM 503 CA ALA A 30 17.033 -13.236 2.868 1.00 0.00 C ATOM 504 C ALA A 30 16.819 -13.850 4.254 1.00 0.00 C ATOM 505 O ALA A 30 15.968 -14.696 4.445 1.00 0.00 O ATOM 506 CB ALA A 30 17.904 -14.148 2.003 1.00 0.00 C ATOM 0 H ALA A 30 18.658 -11.921 2.431 1.00 0.00 H new ATOM 0 HA ALA A 30 16.046 -13.084 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.404 -15.107 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 30 18.065 -13.682 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.864 -14.306 2.494 1.00 0.00 H new ATOM 512 N GLN A 31 17.585 -13.427 5.223 1.00 0.00 N ATOM 513 CA GLN A 31 17.427 -13.982 6.598 1.00 0.00 C ATOM 514 C GLN A 31 16.279 -13.274 7.324 1.00 0.00 C ATOM 515 O GLN A 31 15.291 -13.882 7.684 1.00 0.00 O ATOM 516 CB GLN A 31 18.758 -13.695 7.294 1.00 0.00 C ATOM 517 CG GLN A 31 19.597 -14.973 7.340 1.00 0.00 C ATOM 518 CD GLN A 31 20.054 -15.231 8.776 1.00 0.00 C ATOM 519 OE1 GLN A 31 19.242 -15.441 9.656 1.00 0.00 O ATOM 520 NE2 GLN A 31 21.329 -15.223 9.055 1.00 0.00 N ATOM 0 H GLN A 31 18.314 -12.721 5.122 1.00 0.00 H new ATOM 0 HA GLN A 31 17.191 -15.046 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 31 19.298 -12.912 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.580 -13.328 8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.012 -15.818 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 31 20.462 -14.877 6.683 1.00 0.00 H new ATOM 0 HE21 GLN A 31 22.011 -15.047 8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.643 -15.393 10.010 1.00 0.00 H new ATOM 606 N TYR B 4 34.830 5.313 -11.239 1.00 0.00 N ATOM 607 CA TYR B 4 34.339 5.141 -9.842 1.00 0.00 C ATOM 608 C TYR B 4 33.326 3.996 -9.772 1.00 0.00 C ATOM 609 O TYR B 4 33.155 3.246 -10.712 1.00 0.00 O ATOM 610 CB TYR B 4 33.671 6.471 -9.491 1.00 0.00 C ATOM 611 CG TYR B 4 32.442 6.660 -10.348 1.00 0.00 C ATOM 612 CD1 TYR B 4 31.211 6.141 -9.930 1.00 0.00 C ATOM 613 CD2 TYR B 4 32.534 7.357 -11.559 1.00 0.00 C ATOM 614 CE1 TYR B 4 30.071 6.318 -10.724 1.00 0.00 C ATOM 615 CE2 TYR B 4 31.394 7.534 -12.353 1.00 0.00 C ATOM 616 CZ TYR B 4 30.163 7.014 -11.935 1.00 0.00 C ATOM 617 OH TYR B 4 29.040 7.189 -12.718 1.00 0.00 O ATOM 0 HA TYR B 4 35.144 4.893 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR B 4 33.397 6.485 -8.436 1.00 0.00 H new ATOM 0 HB3 TYR B 4 34.368 7.293 -9.650 1.00 0.00 H new ATOM 0 HD1 TYR B 4 31.140 5.604 -8.995 1.00 0.00 H new ATOM 0 HD2 TYR B 4 33.484 7.758 -11.881 1.00 0.00 H new ATOM 0 HE1 TYR B 4 29.121 5.918 -10.402 1.00 0.00 H new ATOM 0 HE2 TYR B 4 31.464 8.071 -13.287 1.00 0.00 H new ATOM 0 HH TYR B 4 29.278 7.694 -13.523 1.00 0.00 H new ATOM 627 N PHE B 5 32.652 3.857 -8.663 1.00 0.00 N ATOM 628 CA PHE B 5 31.650 2.761 -8.531 1.00 0.00 C ATOM 629 C PHE B 5 30.369 3.299 -7.888 1.00 0.00 C ATOM 630 O PHE B 5 30.367 4.342 -7.265 1.00 0.00 O ATOM 631 CB PHE B 5 32.311 1.722 -7.625 1.00 0.00 C ATOM 632 CG PHE B 5 33.737 1.497 -8.069 1.00 0.00 C ATOM 633 CD1 PHE B 5 34.758 2.327 -7.590 1.00 0.00 C ATOM 634 CD2 PHE B 5 34.039 0.460 -8.961 1.00 0.00 C ATOM 635 CE1 PHE B 5 36.080 2.119 -8.001 1.00 0.00 C ATOM 636 CE2 PHE B 5 35.361 0.253 -9.373 1.00 0.00 C ATOM 637 CZ PHE B 5 36.382 1.083 -8.892 1.00 0.00 C ATOM 0 H PHE B 5 32.752 4.455 -7.843 1.00 0.00 H new ATOM 0 HA PHE B 5 31.371 2.336 -9.495 1.00 0.00 H new ATOM 0 HB2 PHE B 5 32.291 2.062 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE B 5 31.755 0.785 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE B 5 34.526 3.128 -6.903 1.00 0.00 H new ATOM 0 HD2 PHE B 5 33.252 -0.180 -9.331 1.00 0.00 H new ATOM 0 HE1 PHE B 5 36.867 2.759 -7.630 1.00 0.00 H new ATOM 0 HE2 PHE B 5 35.594 -0.546 -10.061 1.00 0.00 H new ATOM 0 HZ PHE B 5 37.402 0.923 -9.209 1.00 0.00 H new ATOM 647 N THR B 6 29.278 2.598 -8.035 1.00 0.00 N ATOM 648 CA THR B 6 28.001 3.076 -7.432 1.00 0.00 C ATOM 649 C THR B 6 27.283 1.926 -6.719 1.00 0.00 C ATOM 650 O THR B 6 27.079 0.867 -7.277 1.00 0.00 O ATOM 651 CB THR B 6 27.169 3.576 -8.613 1.00 0.00 C ATOM 652 OG1 THR B 6 25.859 3.896 -8.166 1.00 0.00 O ATOM 653 CG2 THR B 6 27.093 2.486 -9.684 1.00 0.00 C ATOM 0 H THR B 6 29.215 1.717 -8.545 1.00 0.00 H new ATOM 0 HA THR B 6 28.165 3.855 -6.687 1.00 0.00 H new ATOM 0 HB THR B 6 27.636 4.465 -9.036 1.00 0.00 H new ATOM 0 HG1 THR B 6 25.325 4.218 -8.922 1.00 0.00 H new ATOM 0 HG21 THR B 6 26.500 2.844 -10.526 1.00 0.00 H new ATOM 0 HG22 THR B 6 28.099 2.242 -10.027 1.00 0.00 H new ATOM 0 HG23 THR B 6 26.627 1.595 -9.264 1.00 0.00 H new ATOM 661 N LEU B 7 26.896 2.131 -5.489 1.00 0.00 N ATOM 662 CA LEU B 7 26.188 1.054 -4.739 1.00 0.00 C ATOM 663 C LEU B 7 24.788 1.530 -4.341 1.00 0.00 C ATOM 664 O LEU B 7 24.584 2.682 -4.015 1.00 0.00 O ATOM 665 CB LEU B 7 27.044 0.808 -3.496 1.00 0.00 C ATOM 666 CG LEU B 7 26.734 -0.578 -2.927 1.00 0.00 C ATOM 667 CD1 LEU B 7 28.039 -1.274 -2.537 1.00 0.00 C ATOM 668 CD2 LEU B 7 25.845 -0.433 -1.690 1.00 0.00 C ATOM 0 H LEU B 7 27.040 2.998 -4.971 1.00 0.00 H new ATOM 0 HA LEU B 7 26.063 0.148 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU B 7 28.102 0.880 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU B 7 26.843 1.573 -2.746 1.00 0.00 H new ATOM 0 HG LEU B 7 26.217 -1.172 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU B 7 27.818 -2.261 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU B 7 28.674 -1.377 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU B 7 28.557 -0.680 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU B 7 25.623 -1.420 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU B 7 26.363 0.161 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU B 7 24.915 0.063 -1.967 1.00 0.00 H new ATOM 680 N GLN B 8 23.820 0.655 -4.366 1.00 0.00 N ATOM 681 CA GLN B 8 22.437 1.066 -3.989 1.00 0.00 C ATOM 682 C GLN B 8 21.866 0.112 -2.936 1.00 0.00 C ATOM 683 O GLN B 8 22.027 -1.090 -3.019 1.00 0.00 O ATOM 684 CB GLN B 8 21.631 0.981 -5.286 1.00 0.00 C ATOM 685 CG GLN B 8 22.385 1.705 -6.404 1.00 0.00 C ATOM 686 CD GLN B 8 21.383 2.403 -7.325 1.00 0.00 C ATOM 687 OE1 GLN B 8 20.631 1.756 -8.027 1.00 0.00 O ATOM 688 NE2 GLN B 8 21.342 3.707 -7.354 1.00 0.00 N ATOM 0 H GLN B 8 23.926 -0.324 -4.630 1.00 0.00 H new ATOM 0 HA GLN B 8 22.408 2.066 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN B 8 21.469 -0.062 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN B 8 20.648 1.430 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN B 8 23.074 2.435 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN B 8 22.984 0.994 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN B 8 21.973 4.250 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN B 8 20.679 4.183 -7.966 1.00 0.00 H new ATOM 697 N ILE B 9 21.199 0.639 -1.946 1.00 0.00 N ATOM 698 CA ILE B 9 20.617 -0.235 -0.887 1.00 0.00 C ATOM 699 C ILE B 9 19.142 0.113 -0.666 1.00 0.00 C ATOM 700 O ILE B 9 18.721 1.232 -0.877 1.00 0.00 O ATOM 701 CB ILE B 9 21.435 0.072 0.368 1.00 0.00 C ATOM 702 CG1 ILE B 9 22.924 -0.100 0.060 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.033 -0.889 1.489 1.00 0.00 C ATOM 704 CD1 ILE B 9 23.629 1.254 0.172 1.00 0.00 C ATOM 0 H ILE B 9 21.032 1.638 -1.824 1.00 0.00 H new ATOM 0 HA ILE B 9 20.656 -1.291 -1.153 1.00 0.00 H new ATOM 0 HB ILE B 9 21.244 1.098 0.683 1.00 0.00 H new ATOM 0 HG12 ILE B 9 23.370 -0.812 0.754 1.00 0.00 H new ATOM 0 HG13 ILE B 9 23.054 -0.508 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE B 9 21.617 -0.670 2.383 1.00 0.00 H new ATOM 0 HG22 ILE B 9 19.972 -0.768 1.709 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.223 -1.915 1.174 1.00 0.00 H new ATOM 0 HD11 ILE B 9 24.690 1.131 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE B 9 23.190 1.953 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE B 9 23.510 1.643 1.183 1.00 0.00 H new ATOM 716 N ARG B 10 18.354 -0.838 -0.242 1.00 0.00 N ATOM 717 CA ARG B 10 16.908 -0.558 -0.009 1.00 0.00 C ATOM 718 C ARG B 10 16.540 -0.838 1.450 1.00 0.00 C ATOM 719 O ARG B 10 15.409 -0.665 1.859 1.00 0.00 O ATOM 720 CB ARG B 10 16.163 -1.514 -0.941 1.00 0.00 C ATOM 721 CG ARG B 10 14.681 -1.543 -0.562 1.00 0.00 C ATOM 722 CD ARG B 10 13.901 -2.347 -1.605 1.00 0.00 C ATOM 723 NE ARG B 10 12.650 -2.762 -0.912 1.00 0.00 N ATOM 724 CZ ARG B 10 11.489 -2.407 -1.392 1.00 0.00 C ATOM 725 NH1 ARG B 10 11.022 -1.212 -1.151 1.00 0.00 N ATOM 726 NH2 ARG B 10 10.796 -3.246 -2.112 1.00 0.00 N ATOM 0 H ARG B 10 18.648 -1.795 -0.047 1.00 0.00 H new ATOM 0 HA ARG B 10 16.655 0.484 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG B 10 16.278 -1.193 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG B 10 16.588 -2.515 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG B 10 14.556 -1.990 0.424 1.00 0.00 H new ATOM 0 HG3 ARG B 10 14.290 -0.527 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG B 10 13.683 -1.744 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG B 10 14.471 -3.212 -1.944 1.00 0.00 H new ATOM 0 HE ARG B 10 12.700 -3.324 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG B 10 11.564 -0.557 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG B 10 10.115 -0.934 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG B 10 11.161 -4.180 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG B 10 9.889 -2.968 -2.487 1.00 0.00 H new ATOM 740 N GLY B 11 17.485 -1.269 2.239 1.00 0.00 N ATOM 741 CA GLY B 11 17.186 -1.559 3.671 1.00 0.00 C ATOM 742 C GLY B 11 17.932 -0.563 4.561 1.00 0.00 C ATOM 743 O GLY B 11 19.131 -0.400 4.457 1.00 0.00 O ATOM 0 H GLY B 11 18.451 -1.433 1.955 1.00 0.00 H new ATOM 0 HA2 GLY B 11 16.113 -1.490 3.850 1.00 0.00 H new ATOM 0 HA3 GLY B 11 17.486 -2.578 3.917 1.00 0.00 H new ATOM 747 N ARG B 12 17.231 0.105 5.436 1.00 0.00 N ATOM 748 CA ARG B 12 17.903 1.090 6.332 1.00 0.00 C ATOM 749 C ARG B 12 18.790 0.362 7.345 1.00 0.00 C ATOM 750 O ARG B 12 19.861 0.821 7.690 1.00 0.00 O ATOM 751 CB ARG B 12 16.764 1.822 7.044 1.00 0.00 C ATOM 752 CG ARG B 12 17.298 3.112 7.669 1.00 0.00 C ATOM 753 CD ARG B 12 16.163 4.132 7.787 1.00 0.00 C ATOM 754 NE ARG B 12 16.786 5.441 7.450 1.00 0.00 N ATOM 755 CZ ARG B 12 16.624 6.464 8.243 1.00 0.00 C ATOM 756 NH1 ARG B 12 15.421 6.863 8.557 1.00 0.00 N ATOM 757 NH2 ARG B 12 17.664 7.089 8.724 1.00 0.00 N ATOM 0 H ARG B 12 16.224 0.012 5.569 1.00 0.00 H new ATOM 0 HA ARG B 12 18.546 1.777 5.782 1.00 0.00 H new ATOM 0 HB2 ARG B 12 15.967 2.051 6.337 1.00 0.00 H new ATOM 0 HB3 ARG B 12 16.333 1.183 7.815 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.718 2.905 8.653 1.00 0.00 H new ATOM 0 HG3 ARG B 12 18.104 3.518 7.057 1.00 0.00 H new ATOM 0 HD2 ARG B 12 15.347 3.896 7.104 1.00 0.00 H new ATOM 0 HD3 ARG B 12 15.744 4.142 8.793 1.00 0.00 H new ATOM 0 HE ARG B 12 17.340 5.538 6.599 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.608 6.375 8.182 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.295 7.663 9.177 1.00 0.00 H new ATOM 0 HH21 ARG B 12 18.604 6.778 8.480 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.537 7.889 9.344 1.00 0.00 H new ATOM 771 N GLU B 13 18.355 -0.772 7.823 1.00 0.00 N ATOM 772 CA GLU B 13 19.177 -1.528 8.810 1.00 0.00 C ATOM 773 C GLU B 13 20.509 -1.937 8.179 1.00 0.00 C ATOM 774 O GLU B 13 21.540 -1.934 8.823 1.00 0.00 O ATOM 775 CB GLU B 13 18.344 -2.762 9.158 1.00 0.00 C ATOM 776 CG GLU B 13 17.079 -2.328 9.902 1.00 0.00 C ATOM 777 CD GLU B 13 16.795 -3.308 11.042 1.00 0.00 C ATOM 778 OE1 GLU B 13 16.709 -4.494 10.769 1.00 0.00 O ATOM 779 OE2 GLU B 13 16.669 -2.856 12.168 1.00 0.00 O ATOM 0 H GLU B 13 17.467 -1.207 7.573 1.00 0.00 H new ATOM 0 HA GLU B 13 19.412 -0.936 9.694 1.00 0.00 H new ATOM 0 HB2 GLU B 13 18.078 -3.303 8.250 1.00 0.00 H new ATOM 0 HB3 GLU B 13 18.927 -3.445 9.776 1.00 0.00 H new ATOM 0 HG2 GLU B 13 17.205 -1.320 10.298 1.00 0.00 H new ATOM 0 HG3 GLU B 13 16.233 -2.298 9.215 1.00 0.00 H new ATOM 786 N ARG B 14 20.498 -2.282 6.920 1.00 0.00 N ATOM 787 CA ARG B 14 21.767 -2.681 6.248 1.00 0.00 C ATOM 788 C ARG B 14 22.545 -1.432 5.834 1.00 0.00 C ATOM 789 O ARG B 14 23.751 -1.366 5.971 1.00 0.00 O ATOM 790 CB ARG B 14 21.336 -3.481 5.019 1.00 0.00 C ATOM 791 CG ARG B 14 20.769 -4.830 5.463 1.00 0.00 C ATOM 792 CD ARG B 14 19.298 -4.662 5.848 1.00 0.00 C ATOM 793 NE ARG B 14 18.775 -6.050 5.979 1.00 0.00 N ATOM 794 CZ ARG B 14 17.531 -6.247 6.321 1.00 0.00 C ATOM 795 NH1 ARG B 14 16.586 -5.516 5.796 1.00 0.00 N ATOM 796 NH2 ARG B 14 17.233 -7.174 7.189 1.00 0.00 N ATOM 0 H ARG B 14 19.667 -2.305 6.329 1.00 0.00 H new ATOM 0 HA ARG B 14 22.418 -3.266 6.898 1.00 0.00 H new ATOM 0 HB2 ARG B 14 20.586 -2.927 4.456 1.00 0.00 H new ATOM 0 HB3 ARG B 14 22.186 -3.633 4.354 1.00 0.00 H new ATOM 0 HG2 ARG B 14 20.865 -5.559 4.659 1.00 0.00 H new ATOM 0 HG3 ARG B 14 21.336 -5.214 6.311 1.00 0.00 H new ATOM 0 HD2 ARG B 14 19.195 -4.111 6.783 1.00 0.00 H new ATOM 0 HD3 ARG B 14 18.752 -4.104 5.087 1.00 0.00 H new ATOM 0 HE ARG B 14 19.388 -6.846 5.802 1.00 0.00 H new ATOM 0 HH11 ARG B 14 16.820 -4.790 5.118 1.00 0.00 H new ATOM 0 HH12 ARG B 14 15.614 -5.670 6.063 1.00 0.00 H new ATOM 0 HH21 ARG B 14 17.972 -7.744 7.600 1.00 0.00 H new ATOM 0 HH22 ARG B 14 16.261 -7.328 7.457 1.00 0.00 H new ATOM 810 N PHE B 15 21.864 -0.434 5.337 1.00 0.00 N ATOM 811 CA PHE B 15 22.572 0.811 4.929 1.00 0.00 C ATOM 812 C PHE B 15 23.469 1.280 6.073 1.00 0.00 C ATOM 813 O PHE B 15 24.625 1.599 5.878 1.00 0.00 O ATOM 814 CB PHE B 15 21.468 1.833 4.654 1.00 0.00 C ATOM 815 CG PHE B 15 22.086 3.112 4.143 1.00 0.00 C ATOM 816 CD1 PHE B 15 22.884 3.093 2.992 1.00 0.00 C ATOM 817 CD2 PHE B 15 21.863 4.317 4.820 1.00 0.00 C ATOM 818 CE1 PHE B 15 23.458 4.279 2.519 1.00 0.00 C ATOM 819 CE2 PHE B 15 22.437 5.503 4.347 1.00 0.00 C ATOM 820 CZ PHE B 15 23.235 5.484 3.196 1.00 0.00 C ATOM 0 H PHE B 15 20.854 -0.428 5.197 1.00 0.00 H new ATOM 0 HA PHE B 15 23.205 0.666 4.054 1.00 0.00 H new ATOM 0 HB2 PHE B 15 20.765 1.437 3.921 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.902 2.028 5.565 1.00 0.00 H new ATOM 0 HD1 PHE B 15 23.056 2.164 2.470 1.00 0.00 H new ATOM 0 HD2 PHE B 15 21.248 4.332 5.708 1.00 0.00 H new ATOM 0 HE1 PHE B 15 24.073 4.264 1.631 1.00 0.00 H new ATOM 0 HE2 PHE B 15 22.265 6.432 4.869 1.00 0.00 H new ATOM 0 HZ PHE B 15 23.678 6.399 2.831 1.00 0.00 H new ATOM 830 N GLU B 16 22.949 1.311 7.271 1.00 0.00 N ATOM 831 CA GLU B 16 23.782 1.743 8.427 1.00 0.00 C ATOM 832 C GLU B 16 25.153 1.074 8.339 1.00 0.00 C ATOM 833 O GLU B 16 26.168 1.667 8.645 1.00 0.00 O ATOM 834 CB GLU B 16 23.025 1.263 9.667 1.00 0.00 C ATOM 835 CG GLU B 16 21.919 2.263 10.009 1.00 0.00 C ATOM 836 CD GLU B 16 22.269 2.985 11.312 1.00 0.00 C ATOM 837 OE1 GLU B 16 23.122 3.856 11.273 1.00 0.00 O ATOM 838 OE2 GLU B 16 21.679 2.654 12.327 1.00 0.00 O ATOM 0 H GLU B 16 21.987 1.057 7.497 1.00 0.00 H new ATOM 0 HA GLU B 16 23.944 2.821 8.451 1.00 0.00 H new ATOM 0 HB2 GLU B 16 22.596 0.278 9.485 1.00 0.00 H new ATOM 0 HB3 GLU B 16 23.711 1.161 10.508 1.00 0.00 H new ATOM 0 HG2 GLU B 16 21.804 2.985 9.200 1.00 0.00 H new ATOM 0 HG3 GLU B 16 20.965 1.745 10.112 1.00 0.00 H new ATOM 845 N GLN B 17 25.188 -0.159 7.907 1.00 0.00 N ATOM 846 CA GLN B 17 26.491 -0.869 7.781 1.00 0.00 C ATOM 847 C GLN B 17 27.341 -0.190 6.705 1.00 0.00 C ATOM 848 O GLN B 17 28.486 0.150 6.927 1.00 0.00 O ATOM 849 CB GLN B 17 26.129 -2.294 7.362 1.00 0.00 C ATOM 850 CG GLN B 17 25.083 -2.861 8.325 1.00 0.00 C ATOM 851 CD GLN B 17 25.300 -4.366 8.485 1.00 0.00 C ATOM 852 OE1 GLN B 17 25.457 -5.077 7.512 1.00 0.00 O ATOM 853 NE2 GLN B 17 25.315 -4.887 9.682 1.00 0.00 N ATOM 0 H GLN B 17 24.369 -0.704 7.636 1.00 0.00 H new ATOM 0 HA GLN B 17 27.067 -0.857 8.706 1.00 0.00 H new ATOM 0 HB2 GLN B 17 25.740 -2.297 6.344 1.00 0.00 H new ATOM 0 HB3 GLN B 17 27.020 -2.922 7.365 1.00 0.00 H new ATOM 0 HG2 GLN B 17 25.159 -2.367 9.294 1.00 0.00 H new ATOM 0 HG3 GLN B 17 24.080 -2.666 7.945 1.00 0.00 H new ATOM 0 HE21 GLN B 17 25.183 -4.291 10.499 1.00 0.00 H new ATOM 0 HE22 GLN B 17 25.458 -5.890 9.800 1.00 0.00 H new ATOM 862 N PHE B 18 26.784 0.021 5.543 1.00 0.00 N ATOM 863 CA PHE B 18 27.558 0.691 4.460 1.00 0.00 C ATOM 864 C PHE B 18 27.764 2.164 4.817 1.00 0.00 C ATOM 865 O PHE B 18 28.867 2.671 4.791 1.00 0.00 O ATOM 866 CB PHE B 18 26.697 0.556 3.203 1.00 0.00 C ATOM 867 CG PHE B 18 26.515 -0.904 2.864 1.00 0.00 C ATOM 868 CD1 PHE B 18 25.470 -1.634 3.443 1.00 0.00 C ATOM 869 CD2 PHE B 18 27.391 -1.526 1.967 1.00 0.00 C ATOM 870 CE1 PHE B 18 25.302 -2.987 3.125 1.00 0.00 C ATOM 871 CE2 PHE B 18 27.223 -2.879 1.649 1.00 0.00 C ATOM 872 CZ PHE B 18 26.179 -3.610 2.228 1.00 0.00 C ATOM 0 H PHE B 18 25.829 -0.241 5.298 1.00 0.00 H new ATOM 0 HA PHE B 18 28.544 0.249 4.316 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.726 1.026 3.363 1.00 0.00 H new ATOM 0 HB3 PHE B 18 27.169 1.076 2.370 1.00 0.00 H new ATOM 0 HD1 PHE B 18 24.794 -1.154 4.135 1.00 0.00 H new ATOM 0 HD2 PHE B 18 28.197 -0.962 1.520 1.00 0.00 H new ATOM 0 HE1 PHE B 18 24.496 -3.550 3.571 1.00 0.00 H new ATOM 0 HE2 PHE B 18 27.899 -3.359 0.957 1.00 0.00 H new ATOM 0 HZ PHE B 18 26.050 -4.654 1.983 1.00 0.00 H new ATOM 882 N ARG B 19 26.708 2.853 5.161 1.00 0.00 N ATOM 883 CA ARG B 19 26.846 4.290 5.531 1.00 0.00 C ATOM 884 C ARG B 19 28.060 4.468 6.443 1.00 0.00 C ATOM 885 O ARG B 19 29.039 5.086 6.076 1.00 0.00 O ATOM 886 CB ARG B 19 25.556 4.634 6.278 1.00 0.00 C ATOM 887 CG ARG B 19 25.655 6.053 6.843 1.00 0.00 C ATOM 888 CD ARG B 19 25.591 7.065 5.697 1.00 0.00 C ATOM 889 NE ARG B 19 26.591 8.110 6.052 1.00 0.00 N ATOM 890 CZ ARG B 19 26.404 9.346 5.677 1.00 0.00 C ATOM 891 NH1 ARG B 19 26.720 9.715 4.465 1.00 0.00 N ATOM 892 NH2 ARG B 19 25.900 10.212 6.513 1.00 0.00 N ATOM 0 H ARG B 19 25.758 2.483 5.201 1.00 0.00 H new ATOM 0 HA ARG B 19 26.993 4.935 4.665 1.00 0.00 H new ATOM 0 HB2 ARG B 19 24.702 4.558 5.605 1.00 0.00 H new ATOM 0 HB3 ARG B 19 25.390 3.921 7.085 1.00 0.00 H new ATOM 0 HG2 ARG B 19 24.842 6.233 7.547 1.00 0.00 H new ATOM 0 HG3 ARG B 19 26.587 6.172 7.395 1.00 0.00 H new ATOM 0 HD2 ARG B 19 25.831 6.597 4.742 1.00 0.00 H new ATOM 0 HD3 ARG B 19 24.592 7.490 5.601 1.00 0.00 H new ATOM 0 HE ARG B 19 27.422 7.860 6.588 1.00 0.00 H new ATOM 0 HH11 ARG B 19 27.113 9.037 3.812 1.00 0.00 H new ATOM 0 HH12 ARG B 19 26.574 10.681 4.172 1.00 0.00 H new ATOM 0 HH21 ARG B 19 25.652 9.923 7.459 1.00 0.00 H new ATOM 0 HH22 ARG B 19 25.754 11.178 6.220 1.00 0.00 H new ATOM 906 N GLU B 20 28.010 3.918 7.627 1.00 0.00 N ATOM 907 CA GLU B 20 29.170 4.046 8.551 1.00 0.00 C ATOM 908 C GLU B 20 30.463 3.768 7.784 1.00 0.00 C ATOM 909 O GLU B 20 31.411 4.525 7.847 1.00 0.00 O ATOM 910 CB GLU B 20 28.942 2.982 9.625 1.00 0.00 C ATOM 911 CG GLU B 20 27.753 3.384 10.499 1.00 0.00 C ATOM 912 CD GLU B 20 27.348 2.202 11.382 1.00 0.00 C ATOM 913 OE1 GLU B 20 28.063 1.213 11.378 1.00 0.00 O ATOM 914 OE2 GLU B 20 26.330 2.306 12.046 1.00 0.00 O ATOM 0 H GLU B 20 27.219 3.388 7.992 1.00 0.00 H new ATOM 0 HA GLU B 20 29.255 5.042 8.985 1.00 0.00 H new ATOM 0 HB2 GLU B 20 28.754 2.015 9.159 1.00 0.00 H new ATOM 0 HB3 GLU B 20 29.836 2.872 10.238 1.00 0.00 H new ATOM 0 HG2 GLU B 20 28.016 4.241 11.118 1.00 0.00 H new ATOM 0 HG3 GLU B 20 26.914 3.689 9.873 1.00 0.00 H new ATOM 921 N ARG B 21 30.501 2.689 7.049 1.00 0.00 N ATOM 922 CA ARG B 21 31.725 2.367 6.265 1.00 0.00 C ATOM 923 C ARG B 21 32.054 3.533 5.330 1.00 0.00 C ATOM 924 O ARG B 21 33.202 3.876 5.128 1.00 0.00 O ATOM 925 CB ARG B 21 31.366 1.116 5.463 1.00 0.00 C ATOM 926 CG ARG B 21 32.627 0.546 4.812 1.00 0.00 C ATOM 927 CD ARG B 21 33.434 -0.232 5.855 1.00 0.00 C ATOM 928 NE ARG B 21 33.944 -1.429 5.130 1.00 0.00 N ATOM 929 CZ ARG B 21 34.675 -2.310 5.756 1.00 0.00 C ATOM 930 NH1 ARG B 21 35.472 -1.931 6.718 1.00 0.00 N ATOM 931 NH2 ARG B 21 34.610 -3.569 5.421 1.00 0.00 N ATOM 0 H ARG B 21 29.738 2.018 6.959 1.00 0.00 H new ATOM 0 HA ARG B 21 32.598 2.201 6.896 1.00 0.00 H new ATOM 0 HB2 ARG B 21 30.913 0.370 6.116 1.00 0.00 H new ATOM 0 HB3 ARG B 21 30.628 1.361 4.699 1.00 0.00 H new ATOM 0 HG2 ARG B 21 32.357 -0.109 3.983 1.00 0.00 H new ATOM 0 HG3 ARG B 21 33.231 1.353 4.397 1.00 0.00 H new ATOM 0 HD2 ARG B 21 34.253 0.369 6.250 1.00 0.00 H new ATOM 0 HD3 ARG B 21 32.812 -0.519 6.703 1.00 0.00 H new ATOM 0 HE ARG B 21 33.722 -1.560 4.143 1.00 0.00 H new ATOM 0 HH11 ARG B 21 35.523 -0.947 6.980 1.00 0.00 H new ATOM 0 HH12 ARG B 21 36.044 -2.619 7.208 1.00 0.00 H new ATOM 0 HH21 ARG B 21 33.987 -3.865 4.669 1.00 0.00 H new ATOM 0 HH22 ARG B 21 35.182 -4.257 5.911 1.00 0.00 H new ATOM 945 N ASN B 22 31.051 4.152 4.768 1.00 0.00 N ATOM 946 CA ASN B 22 31.306 5.304 3.858 1.00 0.00 C ATOM 947 C ASN B 22 32.194 6.324 4.570 1.00 0.00 C ATOM 948 O ASN B 22 33.211 6.746 4.055 1.00 0.00 O ATOM 949 CB ASN B 22 29.928 5.898 3.567 1.00 0.00 C ATOM 950 CG ASN B 22 29.966 6.644 2.232 1.00 0.00 C ATOM 951 OD1 ASN B 22 29.635 7.811 2.165 1.00 0.00 O ATOM 952 ND2 ASN B 22 30.358 6.015 1.158 1.00 0.00 N ATOM 0 H ASN B 22 30.069 3.910 4.900 1.00 0.00 H new ATOM 0 HA ASN B 22 31.815 5.011 2.940 1.00 0.00 H new ATOM 0 HB2 ASN B 22 29.179 5.107 3.533 1.00 0.00 H new ATOM 0 HB3 ASN B 22 29.637 6.578 4.368 1.00 0.00 H new ATOM 0 HD21 ASN B 22 30.386 6.503 0.263 1.00 0.00 H new ATOM 0 HD22 ASN B 22 30.636 5.035 1.214 1.00 0.00 H new ATOM 959 N GLU B 23 31.824 6.713 5.760 1.00 0.00 N ATOM 960 CA GLU B 23 32.656 7.693 6.511 1.00 0.00 C ATOM 961 C GLU B 23 34.072 7.139 6.670 1.00 0.00 C ATOM 962 O GLU B 23 35.048 7.818 6.420 1.00 0.00 O ATOM 963 CB GLU B 23 31.974 7.833 7.873 1.00 0.00 C ATOM 964 CG GLU B 23 31.908 9.311 8.262 1.00 0.00 C ATOM 965 CD GLU B 23 33.313 9.814 8.597 1.00 0.00 C ATOM 966 OE1 GLU B 23 33.938 9.232 9.468 1.00 0.00 O ATOM 967 OE2 GLU B 23 33.740 10.774 7.977 1.00 0.00 O ATOM 0 H GLU B 23 30.984 6.395 6.243 1.00 0.00 H new ATOM 0 HA GLU B 23 32.737 8.654 6.004 1.00 0.00 H new ATOM 0 HB2 GLU B 23 30.970 7.411 7.834 1.00 0.00 H new ATOM 0 HB3 GLU B 23 32.526 7.272 8.627 1.00 0.00 H new ATOM 0 HG2 GLU B 23 31.487 9.895 7.444 1.00 0.00 H new ATOM 0 HG3 GLU B 23 31.249 9.443 9.120 1.00 0.00 H new ATOM 974 N ALA B 24 34.189 5.902 7.072 1.00 0.00 N ATOM 975 CA ALA B 24 35.540 5.297 7.233 1.00 0.00 C ATOM 976 C ALA B 24 36.312 5.417 5.918 1.00 0.00 C ATOM 977 O ALA B 24 37.436 5.876 5.886 1.00 0.00 O ATOM 978 CB ALA B 24 35.280 3.830 7.574 1.00 0.00 C ATOM 0 H ALA B 24 33.407 5.286 7.295 1.00 0.00 H new ATOM 0 HA ALA B 24 36.133 5.789 8.004 1.00 0.00 H new ATOM 0 HB1 ALA B 24 36.231 3.314 7.709 1.00 0.00 H new ATOM 0 HB2 ALA B 24 34.700 3.768 8.495 1.00 0.00 H new ATOM 0 HB3 ALA B 24 34.724 3.361 6.762 1.00 0.00 H new ATOM 984 N LEU B 25 35.709 5.018 4.831 1.00 0.00 N ATOM 985 CA LEU B 25 36.402 5.121 3.516 1.00 0.00 C ATOM 986 C LEU B 25 37.043 6.505 3.384 1.00 0.00 C ATOM 987 O LEU B 25 38.192 6.636 3.011 1.00 0.00 O ATOM 988 CB LEU B 25 35.298 4.929 2.473 1.00 0.00 C ATOM 989 CG LEU B 25 35.756 5.487 1.124 1.00 0.00 C ATOM 990 CD1 LEU B 25 35.050 4.734 -0.006 1.00 0.00 C ATOM 991 CD2 LEU B 25 35.404 6.974 1.042 1.00 0.00 C ATOM 0 H LEU B 25 34.768 4.626 4.797 1.00 0.00 H new ATOM 0 HA LEU B 25 37.198 4.386 3.397 1.00 0.00 H new ATOM 0 HB2 LEU B 25 35.057 3.870 2.376 1.00 0.00 H new ATOM 0 HB3 LEU B 25 34.388 5.435 2.796 1.00 0.00 H new ATOM 0 HG LEU B 25 36.834 5.362 1.026 1.00 0.00 H new ATOM 0 HD11 LEU B 25 35.376 5.131 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU B 25 35.299 3.674 0.052 1.00 0.00 H new ATOM 0 HD13 LEU B 25 33.972 4.859 0.091 1.00 0.00 H new ATOM 0 HD21 LEU B 25 35.730 7.373 0.081 1.00 0.00 H new ATOM 0 HD22 LEU B 25 34.326 7.099 1.140 1.00 0.00 H new ATOM 0 HD23 LEU B 25 35.906 7.512 1.847 1.00 0.00 H new ATOM 1003 N GLU B 26 36.308 7.537 3.694 1.00 0.00 N ATOM 1004 CA GLU B 26 36.873 8.912 3.596 1.00 0.00 C ATOM 1005 C GLU B 26 38.173 8.997 4.399 1.00 0.00 C ATOM 1006 O GLU B 26 39.199 9.412 3.898 1.00 0.00 O ATOM 1007 CB GLU B 26 35.806 9.823 4.203 1.00 0.00 C ATOM 1008 CG GLU B 26 35.547 11.004 3.266 1.00 0.00 C ATOM 1009 CD GLU B 26 34.905 12.148 4.053 1.00 0.00 C ATOM 1010 OE1 GLU B 26 33.688 12.181 4.127 1.00 0.00 O ATOM 1011 OE2 GLU B 26 35.643 12.972 4.569 1.00 0.00 O ATOM 0 H GLU B 26 35.340 7.487 4.011 1.00 0.00 H new ATOM 0 HA GLU B 26 37.110 9.194 2.570 1.00 0.00 H new ATOM 0 HB2 GLU B 26 34.884 9.264 4.363 1.00 0.00 H new ATOM 0 HB3 GLU B 26 36.133 10.184 5.178 1.00 0.00 H new ATOM 0 HG2 GLU B 26 36.482 11.337 2.817 1.00 0.00 H new ATOM 0 HG3 GLU B 26 34.893 10.698 2.450 1.00 0.00 H new ATOM 1018 N LEU B 27 38.137 8.599 5.642 1.00 0.00 N ATOM 1019 CA LEU B 27 39.371 8.648 6.476 1.00 0.00 C ATOM 1020 C LEU B 27 40.370 7.595 5.988 1.00 0.00 C ATOM 1021 O LEU B 27 41.565 7.732 6.158 1.00 0.00 O ATOM 1022 CB LEU B 27 38.904 8.328 7.897 1.00 0.00 C ATOM 1023 CG LEU B 27 39.442 9.384 8.863 1.00 0.00 C ATOM 1024 CD1 LEU B 27 38.512 9.491 10.073 1.00 0.00 C ATOM 1025 CD2 LEU B 27 40.842 8.979 9.331 1.00 0.00 C ATOM 0 H LEU B 27 37.307 8.242 6.115 1.00 0.00 H new ATOM 0 HA LEU B 27 39.871 9.615 6.423 1.00 0.00 H new ATOM 0 HB2 LEU B 27 37.815 8.306 7.936 1.00 0.00 H new ATOM 0 HB3 LEU B 27 39.254 7.339 8.192 1.00 0.00 H new ATOM 0 HG LEU B 27 39.491 10.348 8.357 1.00 0.00 H new ATOM 0 HD11 LEU B 27 38.896 10.244 10.761 1.00 0.00 H new ATOM 0 HD12 LEU B 27 37.514 9.778 9.741 1.00 0.00 H new ATOM 0 HD13 LEU B 27 38.462 8.527 10.580 1.00 0.00 H new ATOM 0 HD21 LEU B 27 41.227 9.731 10.020 1.00 0.00 H new ATOM 0 HD22 LEU B 27 40.792 8.015 9.837 1.00 0.00 H new ATOM 0 HD23 LEU B 27 41.506 8.902 8.470 1.00 0.00 H new ATOM 1037 N LYS B 28 39.886 6.547 5.379 1.00 0.00 N ATOM 1038 CA LYS B 28 40.803 5.487 4.875 1.00 0.00 C ATOM 1039 C LYS B 28 41.520 5.972 3.613 1.00 0.00 C ATOM 1040 O LYS B 28 42.635 5.582 3.330 1.00 0.00 O ATOM 1041 CB LYS B 28 39.896 4.298 4.556 1.00 0.00 C ATOM 1042 CG LYS B 28 40.664 3.280 3.710 1.00 0.00 C ATOM 1043 CD LYS B 28 41.881 2.781 4.492 1.00 0.00 C ATOM 1044 CE LYS B 28 43.100 2.740 3.568 1.00 0.00 C ATOM 1045 NZ LYS B 28 44.266 2.992 4.459 1.00 0.00 N ATOM 0 H LYS B 28 38.894 6.379 5.209 1.00 0.00 H new ATOM 0 HA LYS B 28 41.575 5.225 5.599 1.00 0.00 H new ATOM 0 HB2 LYS B 28 39.551 3.833 5.479 1.00 0.00 H new ATOM 0 HB3 LYS B 28 39.010 4.637 4.020 1.00 0.00 H new ATOM 0 HG2 LYS B 28 40.016 2.443 3.452 1.00 0.00 H new ATOM 0 HG3 LYS B 28 40.983 3.737 2.773 1.00 0.00 H new ATOM 0 HD2 LYS B 28 42.076 3.438 5.340 1.00 0.00 H new ATOM 0 HD3 LYS B 28 41.684 1.788 4.897 1.00 0.00 H new ATOM 0 HE2 LYS B 28 43.185 1.774 3.070 1.00 0.00 H new ATOM 0 HE3 LYS B 28 43.029 3.497 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 45.141 2.979 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 44.160 3.921 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 44.312 2.252 5.188 1.00 0.00 H new ATOM 1059 N ASP B 29 40.887 6.825 2.853 1.00 0.00 N ATOM 1060 CA ASP B 29 41.532 7.340 1.611 1.00 0.00 C ATOM 1061 C ASP B 29 42.581 8.396 1.965 1.00 0.00 C ATOM 1062 O ASP B 29 43.680 8.391 1.446 1.00 0.00 O ATOM 1063 CB ASP B 29 40.394 7.962 0.801 1.00 0.00 C ATOM 1064 CG ASP B 29 40.457 7.454 -0.640 1.00 0.00 C ATOM 1065 OD1 ASP B 29 41.510 7.571 -1.243 1.00 0.00 O ATOM 1066 OD2 ASP B 29 39.450 6.956 -1.116 1.00 0.00 O ATOM 0 H ASP B 29 39.952 7.187 3.039 1.00 0.00 H new ATOM 0 HA ASP B 29 42.044 6.556 1.053 1.00 0.00 H new ATOM 0 HB2 ASP B 29 39.433 7.705 1.247 1.00 0.00 H new ATOM 0 HB3 ASP B 29 40.473 9.049 0.818 1.00 0.00 H new ATOM 1071 N ALA B 30 42.253 9.299 2.848 1.00 0.00 N ATOM 1072 CA ALA B 30 43.236 10.350 3.237 1.00 0.00 C ATOM 1073 C ALA B 30 44.533 9.699 3.722 1.00 0.00 C ATOM 1074 O ALA B 30 45.569 10.330 3.791 1.00 0.00 O ATOM 1075 CB ALA B 30 42.564 11.121 4.374 1.00 0.00 C ATOM 0 H ALA B 30 41.349 9.355 3.316 1.00 0.00 H new ATOM 0 HA ALA B 30 43.498 11.003 2.404 1.00 0.00 H new ATOM 0 HB1 ALA B 30 43.227 11.915 4.717 1.00 0.00 H new ATOM 0 HB2 ALA B 30 41.631 11.556 4.017 1.00 0.00 H new ATOM 0 HB3 ALA B 30 42.354 10.442 5.200 1.00 0.00 H new ATOM 1081 N GLN B 31 44.484 8.438 4.057 1.00 0.00 N ATOM 1082 CA GLN B 31 45.713 7.743 4.535 1.00 0.00 C ATOM 1083 C GLN B 31 46.563 7.294 3.344 1.00 0.00 C ATOM 1084 O GLN B 31 47.684 7.730 3.168 1.00 0.00 O ATOM 1085 CB GLN B 31 45.201 6.531 5.314 1.00 0.00 C ATOM 1086 CG GLN B 31 45.295 6.812 6.815 1.00 0.00 C ATOM 1087 CD GLN B 31 46.046 5.670 7.501 1.00 0.00 C ATOM 1088 OE1 GLN B 31 47.206 5.439 7.226 1.00 0.00 O ATOM 1089 NE2 GLN B 31 45.428 4.941 8.390 1.00 0.00 N ATOM 0 H GLN B 31 43.645 7.859 4.020 1.00 0.00 H new ATOM 0 HA GLN B 31 46.342 8.388 5.149 1.00 0.00 H new ATOM 0 HB2 GLN B 31 44.169 6.317 5.037 1.00 0.00 H new ATOM 0 HB3 GLN B 31 45.788 5.648 5.061 1.00 0.00 H new ATOM 0 HG2 GLN B 31 45.811 7.756 6.987 1.00 0.00 H new ATOM 0 HG3 GLN B 31 44.296 6.912 7.240 1.00 0.00 H new ATOM 0 HE21 GLN B 31 44.454 5.135 8.621 1.00 0.00 H new ATOM 0 HE22 GLN B 31 45.919 4.177 8.854 1.00 0.00 H new