USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 431 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 17 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.428) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.93) USER MOD Single : A 27 MET CE :methyl -169:sc= 0 (180deg=-0.194) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 91:sc= -1.47! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 9.237 -12.716 -9.210 1.00 61.41 N ATOM 101 CA TRP A 10 8.776 -11.960 -10.369 1.00 33.21 C ATOM 102 C TRP A 10 7.766 -12.766 -11.178 1.00 72.51 C ATOM 103 O TRP A 10 7.103 -12.234 -12.068 1.00 51.32 O ATOM 104 CB TRP A 10 9.961 -11.569 -11.253 1.00 72.34 C ATOM 105 CG TRP A 10 10.555 -12.727 -11.997 1.00 31.45 C ATOM 106 CD1 TRP A 10 11.217 -13.794 -11.458 1.00 43.54 C ATOM 107 CD2 TRP A 10 10.542 -12.934 -13.413 1.00 51.02 C ATOM 108 NE1 TRP A 10 11.617 -14.651 -12.455 1.00 51.44 N ATOM 109 CE2 TRP A 10 11.214 -14.146 -13.664 1.00 30.45 C ATOM 110 CE3 TRP A 10 10.026 -12.214 -14.494 1.00 63.23 C ATOM 111 CZ2 TRP A 10 11.383 -14.651 -14.950 1.00 24.40 C ATOM 112 CZ3 TRP A 10 10.195 -12.717 -15.770 1.00 45.44 C ATOM 113 CH2 TRP A 10 10.869 -13.926 -15.990 1.00 15.13 C ATOM 0 HA TRP A 10 8.286 -11.055 -10.010 1.00 33.21 H new ATOM 0 HB2 TRP A 10 9.637 -10.814 -11.969 1.00 72.34 H new ATOM 0 HB3 TRP A 10 10.732 -11.111 -10.633 1.00 72.34 H new ATOM 0 HD1 TRP A 10 11.399 -13.942 -10.404 1.00 43.54 H new ATOM 0 HE1 TRP A 10 12.130 -15.522 -12.318 1.00 51.44 H new ATOM 0 HE3 TRP A 10 9.505 -11.282 -14.335 1.00 63.23 H new ATOM 0 HZ2 TRP A 10 11.902 -15.583 -15.121 1.00 24.40 H new ATOM 0 HZ3 TRP A 10 9.801 -12.169 -16.613 1.00 45.44 H new ATOM 0 HH2 TRP A 10 10.985 -14.292 -16.999 1.00 15.13 H new ATOM 124 N ARG A 11 7.654 -14.053 -10.863 1.00 55.23 N ATOM 125 CA ARG A 11 6.724 -14.932 -11.563 1.00 25.25 C ATOM 126 C ARG A 11 5.319 -14.813 -10.979 1.00 44.24 C ATOM 127 O ARG A 11 4.352 -15.306 -11.559 1.00 50.33 O ATOM 128 CB ARG A 11 7.201 -16.383 -11.479 1.00 23.33 C ATOM 129 CG ARG A 11 8.615 -16.591 -11.997 1.00 50.22 C ATOM 130 CD ARG A 11 8.956 -18.068 -12.110 1.00 32.53 C ATOM 131 NE ARG A 11 8.299 -18.696 -13.253 1.00 62.13 N ATOM 132 CZ ARG A 11 8.515 -19.953 -13.626 1.00 11.20 C ATOM 133 NH1 ARG A 11 9.365 -20.712 -12.949 1.00 0.03 N ATOM 134 NH2 ARG A 11 7.879 -20.453 -14.678 1.00 41.50 N ATOM 0 H ARG A 11 8.195 -14.510 -10.129 1.00 55.23 H new ATOM 0 HA ARG A 11 6.691 -14.627 -12.609 1.00 25.25 H new ATOM 0 HB2 ARG A 11 7.151 -16.713 -10.441 1.00 23.33 H new ATOM 0 HB3 ARG A 11 6.518 -17.014 -12.048 1.00 23.33 H new ATOM 0 HG2 ARG A 11 8.719 -16.117 -12.973 1.00 50.22 H new ATOM 0 HG3 ARG A 11 9.324 -16.103 -11.328 1.00 50.22 H new ATOM 0 HD2 ARG A 11 10.036 -18.185 -12.204 1.00 32.53 H new ATOM 0 HD3 ARG A 11 8.658 -18.580 -11.195 1.00 32.53 H new ATOM 0 HE ARG A 11 7.638 -18.139 -13.795 1.00 62.13 H new ATOM 0 HH11 ARG A 11 9.855 -20.332 -12.139 1.00 0.03 H new ATOM 0 HH12 ARG A 11 9.529 -21.677 -13.238 1.00 0.03 H new ATOM 0 HH21 ARG A 11 7.224 -19.872 -15.201 1.00 41.50 H new ATOM 0 HH22 ARG A 11 8.046 -21.418 -14.963 1.00 41.50 H new ATOM 148 N SER A 12 5.216 -14.155 -9.829 1.00 33.42 N ATOM 149 CA SER A 12 3.930 -13.975 -9.165 1.00 0.12 C ATOM 150 C SER A 12 2.923 -13.313 -10.101 1.00 23.01 C ATOM 151 O SER A 12 3.276 -12.442 -10.897 1.00 3.03 O ATOM 152 CB SER A 12 4.099 -13.131 -7.900 1.00 43.32 C ATOM 153 OG SER A 12 2.846 -12.684 -7.413 1.00 74.25 O ATOM 0 H SER A 12 6.007 -13.738 -9.338 1.00 33.42 H new ATOM 0 HA SER A 12 3.551 -14.959 -8.889 1.00 0.12 H new ATOM 0 HB2 SER A 12 4.602 -13.718 -7.132 1.00 43.32 H new ATOM 0 HB3 SER A 12 4.736 -12.273 -8.114 1.00 43.32 H new ATOM 0 HG SER A 12 2.982 -12.149 -6.603 1.00 74.25 H new ATOM 159 N THR A 13 1.666 -13.733 -10.000 1.00 11.10 N ATOM 160 CA THR A 13 0.607 -13.183 -10.837 1.00 61.30 C ATOM 161 C THR A 13 0.575 -11.661 -10.755 1.00 23.43 C ATOM 162 O THR A 13 0.533 -10.976 -11.776 1.00 33.01 O ATOM 163 CB THR A 13 -0.773 -13.737 -10.433 1.00 45.25 C ATOM 164 OG1 THR A 13 -0.657 -15.113 -10.055 1.00 63.14 O ATOM 165 CG2 THR A 13 -1.766 -13.602 -11.578 1.00 4.10 C ATOM 0 H THR A 13 1.356 -14.452 -9.347 1.00 11.10 H new ATOM 0 HA THR A 13 0.826 -13.484 -11.862 1.00 61.30 H new ATOM 0 HB THR A 13 -1.139 -13.158 -9.585 1.00 45.25 H new ATOM 0 HG1 THR A 13 -1.538 -15.457 -9.798 1.00 63.14 H new ATOM 0 HG21 THR A 13 -2.733 -14.000 -11.270 1.00 4.10 H new ATOM 0 HG22 THR A 13 -1.874 -12.550 -11.844 1.00 4.10 H new ATOM 0 HG23 THR A 13 -1.403 -14.159 -12.442 1.00 4.10 H new ATOM 173 N ALA A 14 0.597 -11.139 -9.533 1.00 12.01 N ATOM 174 CA ALA A 14 0.573 -9.697 -9.318 1.00 62.50 C ATOM 175 C ALA A 14 1.689 -9.008 -10.096 1.00 72.12 C ATOM 176 O ALA A 14 1.449 -8.041 -10.820 1.00 31.23 O ATOM 177 CB ALA A 14 0.690 -9.383 -7.834 1.00 21.21 C ATOM 0 H ALA A 14 0.631 -11.693 -8.677 1.00 12.01 H new ATOM 0 HA ALA A 14 -0.380 -9.315 -9.685 1.00 62.50 H new ATOM 0 HB1 ALA A 14 0.671 -8.303 -7.688 1.00 21.21 H new ATOM 0 HB2 ALA A 14 -0.145 -9.836 -7.299 1.00 21.21 H new ATOM 0 HB3 ALA A 14 1.628 -9.784 -7.450 1.00 21.21 H new ATOM 183 N PHE A 15 2.909 -9.511 -9.942 1.00 43.14 N ATOM 184 CA PHE A 15 4.063 -8.942 -10.630 1.00 13.13 C ATOM 185 C PHE A 15 3.798 -8.822 -12.128 1.00 4.23 C ATOM 186 O PHE A 15 3.691 -7.719 -12.663 1.00 53.43 O ATOM 187 CB PHE A 15 5.304 -9.803 -10.387 1.00 32.23 C ATOM 188 CG PHE A 15 6.586 -9.021 -10.392 1.00 23.51 C ATOM 189 CD1 PHE A 15 7.091 -8.501 -11.573 1.00 22.15 C ATOM 190 CD2 PHE A 15 7.287 -8.807 -9.216 1.00 23.50 C ATOM 191 CE1 PHE A 15 8.271 -7.781 -11.581 1.00 0.02 C ATOM 192 CE2 PHE A 15 8.467 -8.088 -9.218 1.00 2.20 C ATOM 193 CZ PHE A 15 8.960 -7.575 -10.402 1.00 23.01 C ATOM 0 H PHE A 15 3.125 -10.311 -9.347 1.00 43.14 H new ATOM 0 HA PHE A 15 4.238 -7.944 -10.229 1.00 13.13 H new ATOM 0 HB2 PHE A 15 5.202 -10.312 -9.428 1.00 32.23 H new ATOM 0 HB3 PHE A 15 5.356 -10.576 -11.154 1.00 32.23 H new ATOM 0 HD1 PHE A 15 6.557 -8.660 -12.498 1.00 22.15 H new ATOM 0 HD2 PHE A 15 6.907 -9.207 -8.287 1.00 23.50 H new ATOM 0 HE1 PHE A 15 8.654 -7.380 -12.508 1.00 0.02 H new ATOM 0 HE2 PHE A 15 9.003 -7.927 -8.295 1.00 2.20 H new ATOM 0 HZ PHE A 15 9.883 -7.014 -10.406 1.00 23.01 H new ATOM 203 N ARG A 16 3.696 -9.965 -12.798 1.00 12.12 N ATOM 204 CA ARG A 16 3.446 -9.989 -14.234 1.00 41.30 C ATOM 205 C ARG A 16 2.206 -9.172 -14.584 1.00 35.02 C ATOM 206 O ARG A 16 2.223 -8.368 -15.515 1.00 42.12 O ATOM 207 CB ARG A 16 3.275 -11.429 -14.720 1.00 21.34 C ATOM 208 CG ARG A 16 3.309 -11.570 -16.233 1.00 22.14 C ATOM 209 CD ARG A 16 3.206 -13.026 -16.659 1.00 71.10 C ATOM 210 NE ARG A 16 1.890 -13.344 -17.208 1.00 2.42 N ATOM 211 CZ ARG A 16 1.432 -14.583 -17.349 1.00 2.43 C ATOM 212 NH1 ARG A 16 2.180 -15.615 -16.983 1.00 14.22 N ATOM 213 NH2 ARG A 16 0.224 -14.791 -17.856 1.00 41.13 N ATOM 0 H ARG A 16 3.783 -10.887 -12.369 1.00 12.12 H new ATOM 0 HA ARG A 16 4.306 -9.544 -14.734 1.00 41.30 H new ATOM 0 HB2 ARG A 16 4.064 -12.045 -14.288 1.00 21.34 H new ATOM 0 HB3 ARG A 16 2.327 -11.819 -14.349 1.00 21.34 H new ATOM 0 HG2 ARG A 16 2.488 -11.003 -16.671 1.00 22.14 H new ATOM 0 HG3 ARG A 16 4.234 -11.141 -16.619 1.00 22.14 H new ATOM 0 HD2 ARG A 16 3.971 -13.240 -17.405 1.00 71.10 H new ATOM 0 HD3 ARG A 16 3.407 -13.669 -15.802 1.00 71.10 H new ATOM 0 HE ARG A 16 1.290 -12.572 -17.499 1.00 2.42 H new ATOM 0 HH11 ARG A 16 3.109 -15.458 -16.592 1.00 14.22 H new ATOM 0 HH12 ARG A 16 1.826 -16.565 -17.092 1.00 14.22 H new ATOM 0 HH21 ARG A 16 -0.354 -13.999 -18.138 1.00 41.13 H new ATOM 0 HH22 ARG A 16 -0.127 -15.743 -17.964 1.00 41.13 H new ATOM 227 N GLN A 17 1.131 -9.385 -13.831 1.00 22.41 N ATOM 228 CA GLN A 17 -0.118 -8.670 -14.063 1.00 1.22 C ATOM 229 C GLN A 17 0.121 -7.165 -14.131 1.00 23.14 C ATOM 230 O GLN A 17 -0.167 -6.525 -15.142 1.00 1.41 O ATOM 231 CB GLN A 17 -1.126 -8.989 -12.957 1.00 43.32 C ATOM 232 CG GLN A 17 -2.495 -8.369 -13.185 1.00 1.32 C ATOM 233 CD GLN A 17 -2.533 -6.894 -12.837 1.00 2.31 C ATOM 234 OE1 GLN A 17 -2.564 -6.036 -13.720 1.00 63.32 O ATOM 235 NE2 GLN A 17 -2.531 -6.590 -11.544 1.00 42.22 N ATOM 0 H GLN A 17 1.100 -10.047 -13.055 1.00 22.41 H new ATOM 0 HA GLN A 17 -0.523 -8.999 -15.020 1.00 1.22 H new ATOM 0 HB2 GLN A 17 -1.235 -10.071 -12.877 1.00 43.32 H new ATOM 0 HB3 GLN A 17 -0.731 -8.637 -12.004 1.00 43.32 H new ATOM 0 HG2 GLN A 17 -2.779 -8.499 -14.229 1.00 1.32 H new ATOM 0 HG3 GLN A 17 -3.234 -8.899 -12.585 1.00 1.32 H new ATOM 0 HE21 GLN A 17 -2.505 -7.333 -10.845 1.00 42.22 H new ATOM 0 HE22 GLN A 17 -2.556 -5.614 -11.250 1.00 42.22 H new ATOM 244 N LYS A 18 0.650 -6.606 -13.047 1.00 52.35 N ATOM 245 CA LYS A 18 0.929 -5.176 -12.983 1.00 21.10 C ATOM 246 C LYS A 18 1.741 -4.725 -14.193 1.00 70.21 C ATOM 247 O LYS A 18 1.402 -3.739 -14.849 1.00 12.05 O ATOM 248 CB LYS A 18 1.685 -4.841 -11.695 1.00 55.30 C ATOM 249 CG LYS A 18 0.790 -4.319 -10.584 1.00 3.42 C ATOM 250 CD LYS A 18 1.516 -4.295 -9.249 1.00 32.11 C ATOM 251 CE LYS A 18 2.192 -2.954 -9.005 1.00 75.43 C ATOM 252 NZ LYS A 18 3.544 -2.894 -9.626 1.00 12.10 N ATOM 0 H LYS A 18 0.894 -7.122 -12.201 1.00 52.35 H new ATOM 0 HA LYS A 18 -0.023 -4.645 -12.988 1.00 21.10 H new ATOM 0 HB2 LYS A 18 2.202 -5.734 -11.344 1.00 55.30 H new ATOM 0 HB3 LYS A 18 2.449 -4.096 -11.915 1.00 55.30 H new ATOM 0 HG2 LYS A 18 0.449 -3.314 -10.832 1.00 3.42 H new ATOM 0 HG3 LYS A 18 -0.098 -4.946 -10.505 1.00 3.42 H new ATOM 0 HD2 LYS A 18 0.808 -4.498 -8.445 1.00 32.11 H new ATOM 0 HD3 LYS A 18 2.262 -5.089 -9.225 1.00 32.11 H new ATOM 0 HE2 LYS A 18 1.571 -2.155 -9.410 1.00 75.43 H new ATOM 0 HE3 LYS A 18 2.277 -2.780 -7.932 1.00 75.43 H new ATOM 0 HZ1 LYS A 18 4.240 -2.592 -8.914 1.00 12.10 H new ATOM 0 HZ2 LYS A 18 3.803 -3.835 -9.986 1.00 12.10 H new ATOM 0 HZ3 LYS A 18 3.535 -2.213 -10.412 1.00 12.10 H new ATOM 266 N LEU A 19 2.813 -5.453 -14.485 1.00 70.40 N ATOM 267 CA LEU A 19 3.673 -5.129 -15.618 1.00 73.11 C ATOM 268 C LEU A 19 2.879 -5.125 -16.921 1.00 32.54 C ATOM 269 O LEU A 19 3.011 -4.214 -17.738 1.00 31.40 O ATOM 270 CB LEU A 19 4.825 -6.131 -15.713 1.00 13.04 C ATOM 271 CG LEU A 19 6.037 -5.845 -14.826 1.00 21.34 C ATOM 272 CD1 LEU A 19 7.108 -5.101 -15.609 1.00 32.44 C ATOM 273 CD2 LEU A 19 5.623 -5.050 -13.596 1.00 50.44 C ATOM 0 H LEU A 19 3.108 -6.272 -13.953 1.00 70.40 H new ATOM 0 HA LEU A 19 4.080 -4.131 -15.459 1.00 73.11 H new ATOM 0 HB2 LEU A 19 4.442 -7.120 -15.462 1.00 13.04 H new ATOM 0 HB3 LEU A 19 5.160 -6.172 -16.749 1.00 13.04 H new ATOM 0 HG LEU A 19 6.453 -6.796 -14.495 1.00 21.34 H new ATOM 0 HD11 LEU A 19 7.963 -4.906 -14.961 1.00 32.44 H new ATOM 0 HD12 LEU A 19 7.426 -5.707 -16.457 1.00 32.44 H new ATOM 0 HD13 LEU A 19 6.704 -4.155 -15.970 1.00 32.44 H new ATOM 0 HD21 LEU A 19 6.499 -4.856 -12.977 1.00 50.44 H new ATOM 0 HD22 LEU A 19 5.181 -4.103 -13.906 1.00 50.44 H new ATOM 0 HD23 LEU A 19 4.892 -5.621 -13.023 1.00 50.44 H new ATOM 285 N VAL A 20 2.052 -6.150 -17.106 1.00 51.55 N ATOM 286 CA VAL A 20 1.234 -6.263 -18.308 1.00 34.02 C ATOM 287 C VAL A 20 0.443 -4.984 -18.557 1.00 50.41 C ATOM 288 O VAL A 20 0.375 -4.493 -19.684 1.00 72.42 O ATOM 289 CB VAL A 20 0.254 -7.448 -18.210 1.00 42.20 C ATOM 290 CG1 VAL A 20 -0.898 -7.270 -19.187 1.00 60.51 C ATOM 291 CG2 VAL A 20 0.980 -8.761 -18.462 1.00 2.34 C ATOM 0 H VAL A 20 1.931 -6.913 -16.440 1.00 51.55 H new ATOM 0 HA VAL A 20 1.917 -6.433 -19.141 1.00 34.02 H new ATOM 0 HB VAL A 20 -0.158 -7.475 -17.201 1.00 42.20 H new ATOM 0 HG11 VAL A 20 -1.580 -8.116 -19.104 1.00 60.51 H new ATOM 0 HG12 VAL A 20 -1.433 -6.349 -18.955 1.00 60.51 H new ATOM 0 HG13 VAL A 20 -0.508 -7.217 -20.203 1.00 60.51 H new ATOM 0 HG21 VAL A 20 0.273 -9.587 -18.389 1.00 2.34 H new ATOM 0 HG22 VAL A 20 1.421 -8.748 -19.459 1.00 2.34 H new ATOM 0 HG23 VAL A 20 1.767 -8.890 -17.719 1.00 2.34 H new ATOM 301 N SER A 21 -0.153 -4.447 -17.497 1.00 51.22 N ATOM 302 CA SER A 21 -0.942 -3.225 -17.601 1.00 75.12 C ATOM 303 C SER A 21 -0.078 -2.058 -18.068 1.00 51.04 C ATOM 304 O SER A 21 -0.464 -1.307 -18.964 1.00 5.43 O ATOM 305 CB SER A 21 -1.585 -2.891 -16.253 1.00 63.44 C ATOM 306 OG SER A 21 -2.158 -1.596 -16.269 1.00 14.24 O ATOM 0 H SER A 21 -0.104 -4.839 -16.557 1.00 51.22 H new ATOM 0 HA SER A 21 -1.727 -3.391 -18.339 1.00 75.12 H new ATOM 0 HB2 SER A 21 -2.353 -3.629 -16.020 1.00 63.44 H new ATOM 0 HB3 SER A 21 -0.835 -2.951 -15.464 1.00 63.44 H new ATOM 0 HG SER A 21 -2.564 -1.407 -15.397 1.00 14.24 H new ATOM 312 N GLN A 22 1.092 -1.914 -17.455 1.00 0.31 N ATOM 313 CA GLN A 22 2.011 -0.838 -17.807 1.00 41.11 C ATOM 314 C GLN A 22 2.301 -0.838 -19.304 1.00 63.13 C ATOM 315 O GLN A 22 2.210 0.198 -19.964 1.00 21.30 O ATOM 316 CB GLN A 22 3.317 -0.977 -17.022 1.00 51.15 C ATOM 317 CG GLN A 22 3.118 -1.042 -15.517 1.00 30.22 C ATOM 318 CD GLN A 22 1.976 -0.166 -15.040 1.00 43.25 C ATOM 319 OE1 GLN A 22 1.899 1.014 -15.384 1.00 4.35 O ATOM 320 NE2 GLN A 22 1.081 -0.740 -14.245 1.00 41.21 N ATOM 0 H GLN A 22 1.426 -2.528 -16.713 1.00 0.31 H new ATOM 0 HA GLN A 22 1.538 0.109 -17.547 1.00 41.11 H new ATOM 0 HB2 GLN A 22 3.835 -1.878 -17.351 1.00 51.15 H new ATOM 0 HB3 GLN A 22 3.965 -0.133 -17.258 1.00 51.15 H new ATOM 0 HG2 GLN A 22 2.926 -2.074 -15.224 1.00 30.22 H new ATOM 0 HG3 GLN A 22 4.038 -0.736 -15.019 1.00 30.22 H new ATOM 0 HE21 GLN A 22 1.184 -1.721 -13.985 1.00 41.21 H new ATOM 0 HE22 GLN A 22 0.290 -0.200 -13.894 1.00 41.21 H new ATOM 329 N ILE A 23 2.651 -2.005 -19.834 1.00 21.40 N ATOM 330 CA ILE A 23 2.954 -2.140 -21.253 1.00 52.45 C ATOM 331 C ILE A 23 1.746 -1.774 -22.110 1.00 23.00 C ATOM 332 O ILE A 23 1.890 -1.198 -23.188 1.00 74.50 O ATOM 333 CB ILE A 23 3.401 -3.572 -21.601 1.00 12.22 C ATOM 334 CG1 ILE A 23 4.702 -3.914 -20.873 1.00 3.02 C ATOM 335 CG2 ILE A 23 3.573 -3.723 -23.105 1.00 4.32 C ATOM 336 CD1 ILE A 23 4.608 -5.159 -20.019 1.00 72.33 C ATOM 0 H ILE A 23 2.732 -2.871 -19.301 1.00 21.40 H new ATOM 0 HA ILE A 23 3.772 -1.452 -21.467 1.00 52.45 H new ATOM 0 HB ILE A 23 2.629 -4.268 -21.272 1.00 12.22 H new ATOM 0 HG12 ILE A 23 5.496 -4.047 -21.608 1.00 3.02 H new ATOM 0 HG13 ILE A 23 4.988 -3.072 -20.243 1.00 3.02 H new ATOM 0 HG21 ILE A 23 3.889 -4.741 -23.335 1.00 4.32 H new ATOM 0 HG22 ILE A 23 2.625 -3.517 -23.602 1.00 4.32 H new ATOM 0 HG23 ILE A 23 4.328 -3.020 -23.457 1.00 4.32 H new ATOM 0 HD11 ILE A 23 5.567 -5.340 -19.533 1.00 72.33 H new ATOM 0 HD12 ILE A 23 3.837 -5.023 -19.261 1.00 72.33 H new ATOM 0 HD13 ILE A 23 4.352 -6.013 -20.647 1.00 72.33 H new ATOM 348 N GLU A 24 0.557 -2.111 -21.621 1.00 71.21 N ATOM 349 CA GLU A 24 -0.676 -1.817 -22.342 1.00 61.12 C ATOM 350 C GLU A 24 -0.994 -0.325 -22.290 1.00 60.53 C ATOM 351 O GLU A 24 -1.528 0.240 -23.245 1.00 32.33 O ATOM 352 CB GLU A 24 -1.840 -2.619 -21.755 1.00 42.44 C ATOM 353 CG GLU A 24 -2.767 -3.204 -22.807 1.00 62.41 C ATOM 354 CD GLU A 24 -4.077 -2.449 -22.915 1.00 74.43 C ATOM 355 OE1 GLU A 24 -4.983 -2.711 -22.096 1.00 43.20 O ATOM 356 OE2 GLU A 24 -4.197 -1.597 -23.820 1.00 10.41 O ATOM 0 H GLU A 24 0.421 -2.587 -20.729 1.00 71.21 H new ATOM 0 HA GLU A 24 -0.535 -2.105 -23.384 1.00 61.12 H new ATOM 0 HB2 GLU A 24 -1.441 -3.428 -21.144 1.00 42.44 H new ATOM 0 HB3 GLU A 24 -2.417 -1.974 -21.092 1.00 42.44 H new ATOM 0 HG2 GLU A 24 -2.265 -3.193 -23.774 1.00 62.41 H new ATOM 0 HG3 GLU A 24 -2.972 -4.247 -22.566 1.00 62.41 H new ATOM 363 N ASP A 25 -0.662 0.305 -21.169 1.00 54.32 N ATOM 364 CA ASP A 25 -0.912 1.731 -20.992 1.00 4.13 C ATOM 365 C ASP A 25 0.039 2.560 -21.850 1.00 71.11 C ATOM 366 O ASP A 25 -0.380 3.494 -22.533 1.00 13.03 O ATOM 367 CB ASP A 25 -0.758 2.118 -19.520 1.00 13.10 C ATOM 368 CG ASP A 25 -1.462 3.419 -19.187 1.00 71.10 C ATOM 369 OD1 ASP A 25 -0.859 4.491 -19.402 1.00 11.02 O ATOM 370 OD2 ASP A 25 -2.616 3.365 -18.711 1.00 25.02 O ATOM 0 H ASP A 25 -0.219 -0.148 -20.370 1.00 54.32 H new ATOM 0 HA ASP A 25 -1.934 1.938 -21.310 1.00 4.13 H new ATOM 0 HB2 ASP A 25 -1.159 1.321 -18.894 1.00 13.10 H new ATOM 0 HB3 ASP A 25 0.301 2.210 -19.280 1.00 13.10 H new ATOM 375 N ALA A 26 1.321 2.212 -21.809 1.00 72.33 N ATOM 376 CA ALA A 26 2.330 2.923 -22.584 1.00 25.42 C ATOM 377 C ALA A 26 2.038 2.836 -24.078 1.00 20.11 C ATOM 378 O ALA A 26 2.132 3.830 -24.797 1.00 13.32 O ATOM 379 CB ALA A 26 3.715 2.368 -22.282 1.00 33.31 C ATOM 0 H ALA A 26 1.685 1.442 -21.247 1.00 72.33 H new ATOM 0 HA ALA A 26 2.300 3.974 -22.296 1.00 25.42 H new ATOM 0 HB1 ALA A 26 4.459 2.908 -22.868 1.00 33.31 H new ATOM 0 HB2 ALA A 26 3.932 2.488 -21.221 1.00 33.31 H new ATOM 0 HB3 ALA A 26 3.747 1.310 -22.541 1.00 33.31 H new ATOM 385 N MET A 27 1.684 1.640 -24.538 1.00 43.55 N ATOM 386 CA MET A 27 1.378 1.425 -25.948 1.00 12.02 C ATOM 387 C MET A 27 0.182 2.269 -26.379 1.00 64.43 C ATOM 388 O MET A 27 0.216 2.923 -27.422 1.00 24.51 O ATOM 389 CB MET A 27 1.093 -0.055 -26.209 1.00 62.24 C ATOM 390 CG MET A 27 2.021 -0.680 -27.239 1.00 3.15 C ATOM 391 SD MET A 27 1.212 -1.960 -28.217 1.00 41.02 S ATOM 392 CE MET A 27 0.608 -3.043 -26.925 1.00 13.22 C ATOM 0 H MET A 27 1.602 0.806 -23.956 1.00 43.55 H new ATOM 0 HA MET A 27 2.245 1.730 -26.534 1.00 12.02 H new ATOM 0 HB2 MET A 27 1.181 -0.604 -25.272 1.00 62.24 H new ATOM 0 HB3 MET A 27 0.062 -0.164 -26.547 1.00 62.24 H new ATOM 0 HG2 MET A 27 2.395 0.098 -27.904 1.00 3.15 H new ATOM 0 HG3 MET A 27 2.885 -1.108 -26.731 1.00 3.15 H new ATOM 0 HE1 MET A 27 0.258 -3.976 -27.367 1.00 13.22 H new ATOM 0 HE2 MET A 27 1.413 -3.254 -26.221 1.00 13.22 H new ATOM 0 HE3 MET A 27 -0.215 -2.559 -26.400 1.00 13.22 H new ATOM 402 N ARG A 28 -0.873 2.249 -25.571 1.00 63.24 N ATOM 403 CA ARG A 28 -2.079 3.011 -25.871 1.00 61.22 C ATOM 404 C ARG A 28 -1.742 4.472 -26.156 1.00 34.34 C ATOM 405 O ARG A 28 -2.065 4.999 -27.221 1.00 20.34 O ATOM 406 CB ARG A 28 -3.067 2.921 -24.707 1.00 1.33 C ATOM 407 CG ARG A 28 -4.236 3.886 -24.824 1.00 64.10 C ATOM 408 CD ARG A 28 -5.560 3.194 -24.541 1.00 62.22 C ATOM 409 NE ARG A 28 -6.666 4.143 -24.454 1.00 0.33 N ATOM 410 CZ ARG A 28 -7.934 3.782 -24.294 1.00 72.55 C ATOM 411 NH1 ARG A 28 -8.255 2.498 -24.205 1.00 43.14 N ATOM 412 NH2 ARG A 28 -8.885 4.705 -24.224 1.00 22.45 N ATOM 0 H ARG A 28 -0.917 1.714 -24.704 1.00 63.24 H new ATOM 0 HA ARG A 28 -2.538 2.582 -26.762 1.00 61.22 H new ATOM 0 HB2 ARG A 28 -3.452 1.903 -24.646 1.00 1.33 H new ATOM 0 HB3 ARG A 28 -2.537 3.117 -23.775 1.00 1.33 H new ATOM 0 HG2 ARG A 28 -4.099 4.711 -24.125 1.00 64.10 H new ATOM 0 HG3 ARG A 28 -4.256 4.316 -25.825 1.00 64.10 H new ATOM 0 HD2 ARG A 28 -5.766 2.469 -25.329 1.00 62.22 H new ATOM 0 HD3 ARG A 28 -5.486 2.637 -23.607 1.00 62.22 H new ATOM 0 HE ARG A 28 -6.453 5.138 -24.520 1.00 0.33 H new ATOM 0 HH11 ARG A 28 -7.527 1.785 -24.259 1.00 43.14 H new ATOM 0 HH12 ARG A 28 -9.230 2.223 -24.082 1.00 43.14 H new ATOM 0 HH21 ARG A 28 -8.643 5.693 -24.293 1.00 22.45 H new ATOM 0 HH22 ARG A 28 -9.858 4.426 -24.101 1.00 22.45 H new ATOM 426 N LYS A 29 -1.093 5.121 -25.196 1.00 5.40 N ATOM 427 CA LYS A 29 -0.711 6.521 -25.342 1.00 0.11 C ATOM 428 C LYS A 29 0.379 6.681 -26.397 1.00 72.21 C ATOM 429 O LYS A 29 0.520 7.744 -27.001 1.00 70.41 O ATOM 430 CB LYS A 29 -0.225 7.081 -24.003 1.00 32.10 C ATOM 431 CG LYS A 29 -1.150 8.130 -23.411 1.00 12.11 C ATOM 432 CD LYS A 29 -1.049 8.171 -21.895 1.00 52.13 C ATOM 433 CE LYS A 29 -2.261 8.849 -21.274 1.00 61.11 C ATOM 434 NZ LYS A 29 -3.043 7.913 -20.419 1.00 64.15 N ATOM 0 H LYS A 29 -0.820 4.700 -24.308 1.00 5.40 H new ATOM 0 HA LYS A 29 -1.590 7.079 -25.665 1.00 0.11 H new ATOM 0 HB2 LYS A 29 -0.118 6.261 -23.293 1.00 32.10 H new ATOM 0 HB3 LYS A 29 0.765 7.517 -24.139 1.00 32.10 H new ATOM 0 HG2 LYS A 29 -0.900 9.109 -23.820 1.00 12.11 H new ATOM 0 HG3 LYS A 29 -2.178 7.916 -23.702 1.00 12.11 H new ATOM 0 HD2 LYS A 29 -0.960 7.156 -21.508 1.00 52.13 H new ATOM 0 HD3 LYS A 29 -0.144 8.704 -21.604 1.00 52.13 H new ATOM 0 HE2 LYS A 29 -1.934 9.700 -20.676 1.00 61.11 H new ATOM 0 HE3 LYS A 29 -2.902 9.241 -22.064 1.00 61.11 H new ATOM 0 HZ1 LYS A 29 -3.860 8.413 -20.014 1.00 64.15 H new ATOM 0 HZ2 LYS A 29 -3.376 7.113 -20.994 1.00 64.15 H new ATOM 0 HZ3 LYS A 29 -2.439 7.558 -19.650 1.00 64.15 H new ATOM 448 N ALA A 30 1.146 5.618 -26.615 1.00 31.54 N ATOM 449 CA ALA A 30 2.220 5.639 -27.599 1.00 43.34 C ATOM 450 C ALA A 30 1.666 5.763 -29.014 1.00 74.45 C ATOM 451 O ALA A 30 2.325 6.296 -29.906 1.00 14.23 O ATOM 452 CB ALA A 30 3.077 4.388 -27.474 1.00 1.25 C ATOM 0 H ALA A 30 1.043 4.731 -26.123 1.00 31.54 H new ATOM 0 HA ALA A 30 2.841 6.512 -27.402 1.00 43.34 H new ATOM 0 HB1 ALA A 30 3.875 4.418 -28.216 1.00 1.25 H new ATOM 0 HB2 ALA A 30 3.511 4.343 -26.475 1.00 1.25 H new ATOM 0 HB3 ALA A 30 2.459 3.506 -27.641 1.00 1.25 H new ATOM 458 N GLY A 31 0.449 5.265 -29.214 1.00 31.51 N ATOM 459 CA GLY A 31 -0.173 5.328 -30.523 1.00 53.44 C ATOM 460 C GLY A 31 0.455 4.365 -31.511 1.00 53.33 C ATOM 461 O GLY A 31 1.190 4.777 -32.409 1.00 74.31 O ATOM 0 H GLY A 31 -0.117 4.819 -28.492 1.00 31.51 H new ATOM 0 HA2 GLY A 31 -1.236 5.104 -30.428 1.00 53.44 H new ATOM 0 HA3 GLY A 31 -0.094 6.344 -30.911 1.00 53.44 H new ATOM 563 N LYS A 39 -0.654 -7.843 -23.956 1.00 73.52 N ATOM 564 CA LYS A 39 -0.700 -9.145 -23.300 1.00 44.21 C ATOM 565 C LYS A 39 0.243 -10.131 -23.982 1.00 71.24 C ATOM 566 O LYS A 39 1.033 -10.807 -23.323 1.00 3.41 O ATOM 567 CB LYS A 39 -2.127 -9.696 -23.312 1.00 53.32 C ATOM 568 CG LYS A 39 -2.701 -9.930 -21.925 1.00 42.53 C ATOM 569 CD LYS A 39 -3.691 -11.082 -21.918 1.00 70.14 C ATOM 570 CE LYS A 39 -3.594 -11.893 -20.635 1.00 44.13 C ATOM 571 NZ LYS A 39 -4.904 -11.980 -19.934 1.00 32.34 N ATOM 0 HA LYS A 39 -0.377 -9.015 -22.267 1.00 44.21 H new ATOM 0 HB2 LYS A 39 -2.771 -9.001 -23.850 1.00 53.32 H new ATOM 0 HB3 LYS A 39 -2.140 -10.635 -23.865 1.00 53.32 H new ATOM 0 HG2 LYS A 39 -1.891 -10.141 -21.226 1.00 42.53 H new ATOM 0 HG3 LYS A 39 -3.195 -9.023 -21.577 1.00 42.53 H new ATOM 0 HD2 LYS A 39 -4.703 -10.694 -22.028 1.00 70.14 H new ATOM 0 HD3 LYS A 39 -3.503 -11.730 -22.774 1.00 70.14 H new ATOM 0 HE2 LYS A 39 -3.238 -12.897 -20.866 1.00 44.13 H new ATOM 0 HE3 LYS A 39 -2.857 -11.438 -19.973 1.00 44.13 H new ATOM 0 HZ1 LYS A 39 -4.796 -12.541 -19.065 1.00 32.34 H new ATOM 0 HZ2 LYS A 39 -5.232 -11.023 -19.691 1.00 32.34 H new ATOM 0 HZ3 LYS A 39 -5.601 -12.437 -20.556 1.00 32.34 H new ATOM 585 N ASP A 40 0.155 -10.208 -25.306 1.00 13.14 N ATOM 586 CA ASP A 40 1.002 -11.110 -26.077 1.00 54.04 C ATOM 587 C ASP A 40 2.465 -10.687 -25.993 1.00 31.03 C ATOM 588 O ASP A 40 3.362 -11.528 -25.937 1.00 12.22 O ATOM 589 CB ASP A 40 0.551 -11.142 -27.539 1.00 11.14 C ATOM 590 CG ASP A 40 -0.308 -12.351 -27.853 1.00 52.11 C ATOM 591 OD1 ASP A 40 -1.453 -12.410 -27.358 1.00 75.32 O ATOM 592 OD2 ASP A 40 0.164 -13.237 -28.595 1.00 24.11 O ATOM 0 H ASP A 40 -0.494 -9.657 -25.867 1.00 13.14 H new ATOM 0 HA ASP A 40 0.907 -12.110 -25.653 1.00 54.04 H new ATOM 0 HB2 ASP A 40 -0.009 -10.234 -27.764 1.00 11.14 H new ATOM 0 HB3 ASP A 40 1.428 -11.145 -28.187 1.00 11.14 H new ATOM 597 N MET A 41 2.698 -9.379 -25.985 1.00 11.43 N ATOM 598 CA MET A 41 4.053 -8.845 -25.907 1.00 14.52 C ATOM 599 C MET A 41 4.721 -9.246 -24.595 1.00 54.35 C ATOM 600 O MET A 41 5.837 -9.764 -24.591 1.00 35.11 O ATOM 601 CB MET A 41 4.031 -7.320 -26.036 1.00 60.32 C ATOM 602 CG MET A 41 4.402 -6.823 -27.424 1.00 0.11 C ATOM 603 SD MET A 41 3.589 -5.270 -27.845 1.00 51.34 S ATOM 604 CE MET A 41 4.548 -4.762 -29.271 1.00 15.45 C ATOM 0 H MET A 41 1.967 -8.669 -26.032 1.00 11.43 H new ATOM 0 HA MET A 41 4.630 -9.264 -26.731 1.00 14.52 H new ATOM 0 HB2 MET A 41 3.035 -6.956 -25.783 1.00 60.32 H new ATOM 0 HB3 MET A 41 4.721 -6.892 -25.309 1.00 60.32 H new ATOM 0 HG2 MET A 41 5.482 -6.690 -27.482 1.00 0.11 H new ATOM 0 HG3 MET A 41 4.134 -7.580 -28.161 1.00 0.11 H new ATOM 0 HE1 MET A 41 4.165 -3.814 -29.648 1.00 15.45 H new ATOM 0 HE2 MET A 41 5.593 -4.643 -28.983 1.00 15.45 H new ATOM 0 HE3 MET A 41 4.470 -5.520 -30.050 1.00 15.45 H new ATOM 614 N GLU A 42 4.030 -9.002 -23.486 1.00 3.11 N ATOM 615 CA GLU A 42 4.559 -9.337 -22.169 1.00 32.51 C ATOM 616 C GLU A 42 4.914 -10.819 -22.087 1.00 24.23 C ATOM 617 O GLU A 42 6.015 -11.182 -21.672 1.00 31.32 O ATOM 618 CB GLU A 42 3.542 -8.985 -21.082 1.00 13.34 C ATOM 619 CG GLU A 42 4.176 -8.504 -19.787 1.00 44.04 C ATOM 620 CD GLU A 42 3.976 -9.478 -18.643 1.00 2.15 C ATOM 621 OE1 GLU A 42 4.035 -10.701 -18.888 1.00 34.10 O ATOM 622 OE2 GLU A 42 3.761 -9.018 -17.502 1.00 51.50 O ATOM 0 H GLU A 42 3.104 -8.574 -23.473 1.00 3.11 H new ATOM 0 HA GLU A 42 5.466 -8.754 -22.011 1.00 32.51 H new ATOM 0 HB2 GLU A 42 2.874 -8.211 -21.459 1.00 13.34 H new ATOM 0 HB3 GLU A 42 2.929 -9.861 -20.873 1.00 13.34 H new ATOM 0 HG2 GLU A 42 5.243 -8.349 -19.945 1.00 44.04 H new ATOM 0 HG3 GLU A 42 3.750 -7.538 -19.515 1.00 44.04 H new ATOM 629 N SER A 43 3.974 -11.670 -22.485 1.00 21.34 N ATOM 630 CA SER A 43 4.185 -13.113 -22.452 1.00 45.32 C ATOM 631 C SER A 43 5.486 -13.487 -23.156 1.00 61.23 C ATOM 632 O SER A 43 6.278 -14.279 -22.644 1.00 35.15 O ATOM 633 CB SER A 43 3.009 -13.837 -23.110 1.00 43.32 C ATOM 634 OG SER A 43 2.911 -15.173 -22.649 1.00 75.12 O ATOM 0 H SER A 43 3.059 -11.386 -22.834 1.00 21.34 H new ATOM 0 HA SER A 43 4.254 -13.422 -21.409 1.00 45.32 H new ATOM 0 HB2 SER A 43 2.083 -13.305 -22.893 1.00 43.32 H new ATOM 0 HB3 SER A 43 3.134 -13.831 -24.193 1.00 43.32 H new ATOM 0 HG SER A 43 2.151 -15.614 -23.083 1.00 75.12 H new ATOM 640 N HIS A 44 5.700 -12.912 -24.335 1.00 43.23 N ATOM 641 CA HIS A 44 6.905 -13.184 -25.111 1.00 41.12 C ATOM 642 C HIS A 44 8.155 -12.795 -24.328 1.00 22.14 C ATOM 643 O HIS A 44 9.167 -13.495 -24.367 1.00 4.33 O ATOM 644 CB HIS A 44 6.865 -12.426 -26.438 1.00 55.23 C ATOM 645 CG HIS A 44 7.995 -12.768 -27.359 1.00 24.43 C ATOM 646 ND1 HIS A 44 8.055 -13.947 -28.071 1.00 71.34 N ATOM 647 CD2 HIS A 44 9.114 -12.078 -27.682 1.00 53.02 C ATOM 648 CE1 HIS A 44 9.162 -13.968 -28.792 1.00 72.11 C ATOM 649 NE2 HIS A 44 9.822 -12.845 -28.574 1.00 51.04 N ATOM 0 H HIS A 44 5.055 -12.255 -24.774 1.00 43.23 H new ATOM 0 HA HIS A 44 6.942 -14.254 -25.313 1.00 41.12 H new ATOM 0 HB2 HIS A 44 5.921 -12.639 -26.940 1.00 55.23 H new ATOM 0 HB3 HIS A 44 6.884 -11.355 -26.236 1.00 55.23 H new ATOM 0 HD2 HIS A 44 9.397 -11.105 -27.308 1.00 53.02 H new ATOM 0 HE1 HIS A 44 9.474 -14.767 -29.448 1.00 72.11 H new ATOM 0 HE2 HIS A 44 10.713 -12.589 -28.999 1.00 51.04 H new ATOM 657 N VAL A 45 8.078 -11.674 -23.617 1.00 73.31 N ATOM 658 CA VAL A 45 9.202 -11.193 -22.824 1.00 44.42 C ATOM 659 C VAL A 45 9.485 -12.122 -21.649 1.00 71.24 C ATOM 660 O VAL A 45 10.640 -12.383 -21.314 1.00 64.53 O ATOM 661 CB VAL A 45 8.944 -9.771 -22.289 1.00 63.44 C ATOM 662 CG1 VAL A 45 10.225 -9.171 -21.730 1.00 14.44 C ATOM 663 CG2 VAL A 45 8.365 -8.888 -23.384 1.00 1.20 C ATOM 0 H VAL A 45 7.248 -11.082 -23.574 1.00 73.31 H new ATOM 0 HA VAL A 45 10.069 -11.174 -23.484 1.00 44.42 H new ATOM 0 HB VAL A 45 8.216 -9.831 -21.480 1.00 63.44 H new ATOM 0 HG11 VAL A 45 10.024 -8.167 -21.357 1.00 14.44 H new ATOM 0 HG12 VAL A 45 10.593 -9.794 -20.915 1.00 14.44 H new ATOM 0 HG13 VAL A 45 10.977 -9.122 -22.517 1.00 14.44 H new ATOM 0 HG21 VAL A 45 8.189 -7.887 -22.989 1.00 1.20 H new ATOM 0 HG22 VAL A 45 9.068 -8.832 -24.215 1.00 1.20 H new ATOM 0 HG23 VAL A 45 7.423 -9.311 -23.733 1.00 1.20 H new ATOM 673 N PHE A 46 8.421 -12.620 -21.027 1.00 5.11 N ATOM 674 CA PHE A 46 8.554 -13.521 -19.888 1.00 65.11 C ATOM 675 C PHE A 46 9.308 -14.788 -20.282 1.00 73.24 C ATOM 676 O PHE A 46 10.248 -15.202 -19.603 1.00 34.55 O ATOM 677 CB PHE A 46 7.175 -13.885 -19.335 1.00 61.42 C ATOM 678 CG PHE A 46 7.207 -14.360 -17.910 1.00 54.25 C ATOM 679 CD1 PHE A 46 7.202 -13.452 -16.864 1.00 14.21 C ATOM 680 CD2 PHE A 46 7.241 -15.714 -17.618 1.00 15.43 C ATOM 681 CE1 PHE A 46 7.231 -13.886 -15.552 1.00 44.20 C ATOM 682 CE2 PHE A 46 7.270 -16.154 -16.308 1.00 11.43 C ATOM 683 CZ PHE A 46 7.264 -15.238 -15.274 1.00 23.35 C ATOM 0 H PHE A 46 7.458 -12.415 -21.292 1.00 5.11 H new ATOM 0 HA PHE A 46 9.124 -13.007 -19.114 1.00 65.11 H new ATOM 0 HB2 PHE A 46 6.523 -13.014 -19.405 1.00 61.42 H new ATOM 0 HB3 PHE A 46 6.736 -14.663 -19.959 1.00 61.42 H new ATOM 0 HD1 PHE A 46 7.175 -12.393 -17.076 1.00 14.21 H new ATOM 0 HD2 PHE A 46 7.245 -16.434 -18.423 1.00 15.43 H new ATOM 0 HE1 PHE A 46 7.228 -13.168 -14.745 1.00 44.20 H new ATOM 0 HE2 PHE A 46 7.297 -17.212 -16.093 1.00 11.43 H new ATOM 0 HZ PHE A 46 7.285 -15.579 -14.249 1.00 23.35 H new ATOM 693 N LEU A 47 8.888 -15.400 -21.385 1.00 2.35 N ATOM 694 CA LEU A 47 9.522 -16.620 -21.871 1.00 31.54 C ATOM 695 C LEU A 47 10.911 -16.328 -22.429 1.00 52.11 C ATOM 696 O LEU A 47 11.772 -17.206 -22.472 1.00 65.21 O ATOM 697 CB LEU A 47 8.654 -17.275 -22.947 1.00 64.11 C ATOM 698 CG LEU A 47 7.619 -18.285 -22.452 1.00 70.51 C ATOM 699 CD1 LEU A 47 6.523 -18.478 -23.488 1.00 53.44 C ATOM 700 CD2 LEU A 47 8.285 -19.614 -22.124 1.00 75.25 C ATOM 0 H LEU A 47 8.112 -15.071 -21.959 1.00 2.35 H new ATOM 0 HA LEU A 47 9.626 -17.306 -21.030 1.00 31.54 H new ATOM 0 HB2 LEU A 47 8.133 -16.489 -23.493 1.00 64.11 H new ATOM 0 HB3 LEU A 47 9.310 -17.776 -23.659 1.00 64.11 H new ATOM 0 HG LEU A 47 7.165 -17.894 -21.541 1.00 70.51 H new ATOM 0 HD11 LEU A 47 5.796 -19.200 -23.118 1.00 53.44 H new ATOM 0 HD12 LEU A 47 6.026 -17.526 -23.674 1.00 53.44 H new ATOM 0 HD13 LEU A 47 6.960 -18.846 -24.416 1.00 53.44 H new ATOM 0 HD21 LEU A 47 7.533 -20.321 -21.773 1.00 75.25 H new ATOM 0 HD22 LEU A 47 8.766 -20.010 -23.018 1.00 75.25 H new ATOM 0 HD23 LEU A 47 9.033 -19.464 -21.346 1.00 75.25 H new ATOM 712 N LYS A 48 11.122 -15.087 -22.854 1.00 44.03 N ATOM 713 CA LYS A 48 12.407 -14.676 -23.407 1.00 45.20 C ATOM 714 C LYS A 48 13.386 -14.309 -22.295 1.00 73.35 C ATOM 715 O LYS A 48 14.599 -14.312 -22.498 1.00 44.54 O ATOM 716 CB LYS A 48 12.223 -13.486 -24.351 1.00 55.50 C ATOM 717 CG LYS A 48 13.495 -13.078 -25.073 1.00 23.21 C ATOM 718 CD LYS A 48 13.192 -12.380 -26.388 1.00 75.30 C ATOM 719 CE LYS A 48 14.379 -11.563 -26.872 1.00 41.34 C ATOM 720 NZ LYS A 48 14.370 -11.394 -28.352 1.00 60.30 N ATOM 0 H LYS A 48 10.419 -14.348 -22.826 1.00 44.03 H new ATOM 0 HA LYS A 48 12.818 -15.516 -23.967 1.00 45.20 H new ATOM 0 HB2 LYS A 48 11.460 -13.734 -25.089 1.00 55.50 H new ATOM 0 HB3 LYS A 48 11.850 -12.635 -23.781 1.00 55.50 H new ATOM 0 HG2 LYS A 48 14.080 -12.415 -24.435 1.00 23.21 H new ATOM 0 HG3 LYS A 48 14.106 -13.961 -25.261 1.00 23.21 H new ATOM 0 HD2 LYS A 48 12.928 -13.121 -27.142 1.00 75.30 H new ATOM 0 HD3 LYS A 48 12.327 -11.729 -26.264 1.00 75.30 H new ATOM 0 HE2 LYS A 48 14.364 -10.583 -26.395 1.00 41.34 H new ATOM 0 HE3 LYS A 48 15.305 -12.052 -26.568 1.00 41.34 H new ATOM 0 HZ1 LYS A 48 15.195 -10.831 -28.642 1.00 60.30 H new ATOM 0 HZ2 LYS A 48 14.410 -12.328 -28.808 1.00 60.30 H new ATOM 0 HZ3 LYS A 48 13.499 -10.905 -28.640 1.00 60.30 H new ATOM 734 N ALA A 49 12.849 -13.996 -21.121 1.00 20.34 N ATOM 735 CA ALA A 49 13.675 -13.631 -19.976 1.00 60.44 C ATOM 736 C ALA A 49 14.049 -14.861 -19.155 1.00 13.42 C ATOM 737 O ALA A 49 13.268 -15.806 -19.041 1.00 53.45 O ATOM 738 CB ALA A 49 12.952 -12.613 -19.107 1.00 44.02 C ATOM 0 H ALA A 49 11.846 -13.988 -20.937 1.00 20.34 H new ATOM 0 HA ALA A 49 14.595 -13.183 -20.351 1.00 60.44 H new ATOM 0 HB1 ALA A 49 13.580 -12.350 -18.256 1.00 44.02 H new ATOM 0 HB2 ALA A 49 12.741 -11.719 -19.693 1.00 44.02 H new ATOM 0 HB3 ALA A 49 12.016 -13.040 -18.748 1.00 44.02 H new ATOM 744 N LYS A 50 15.248 -14.842 -18.583 1.00 61.24 N ATOM 745 CA LYS A 50 15.726 -15.955 -17.771 1.00 43.33 C ATOM 746 C LYS A 50 15.610 -15.633 -16.285 1.00 4.52 C ATOM 747 O LYS A 50 15.511 -16.532 -15.449 1.00 41.04 O ATOM 748 CB LYS A 50 17.180 -16.281 -18.121 1.00 40.34 C ATOM 749 CG LYS A 50 17.331 -17.495 -19.021 1.00 43.13 C ATOM 750 CD LYS A 50 18.102 -17.158 -20.287 1.00 32.41 C ATOM 751 CE LYS A 50 19.583 -17.472 -20.138 1.00 12.53 C ATOM 752 NZ LYS A 50 20.404 -16.233 -20.037 1.00 20.43 N ATOM 0 H LYS A 50 15.907 -14.068 -18.667 1.00 61.24 H new ATOM 0 HA LYS A 50 15.103 -16.823 -17.987 1.00 43.33 H new ATOM 0 HB2 LYS A 50 17.629 -15.417 -18.611 1.00 40.34 H new ATOM 0 HB3 LYS A 50 17.738 -16.450 -17.200 1.00 40.34 H new ATOM 0 HG2 LYS A 50 17.847 -18.288 -18.480 1.00 43.13 H new ATOM 0 HG3 LYS A 50 16.345 -17.878 -19.285 1.00 43.13 H new ATOM 0 HD2 LYS A 50 17.692 -17.722 -21.125 1.00 32.41 H new ATOM 0 HD3 LYS A 50 17.975 -16.101 -20.521 1.00 32.41 H new ATOM 0 HE2 LYS A 50 19.737 -18.084 -19.249 1.00 12.53 H new ATOM 0 HE3 LYS A 50 19.917 -18.061 -20.992 1.00 12.53 H new ATOM 0 HZ1 LYS A 50 21.407 -16.488 -19.937 1.00 20.43 H new ATOM 0 HZ2 LYS A 50 20.277 -15.661 -20.896 1.00 20.43 H new ATOM 0 HZ3 LYS A 50 20.102 -15.683 -19.207 1.00 20.43 H new ATOM 766 N THR A 51 15.622 -14.343 -15.961 1.00 21.35 N ATOM 767 CA THR A 51 15.518 -13.903 -14.575 1.00 51.43 C ATOM 768 C THR A 51 14.676 -12.637 -14.463 1.00 12.13 C ATOM 769 O THR A 51 14.385 -11.982 -15.464 1.00 65.21 O ATOM 770 CB THR A 51 16.907 -13.638 -13.964 1.00 52.41 C ATOM 771 OG1 THR A 51 17.461 -12.436 -14.511 1.00 2.34 O ATOM 772 CG2 THR A 51 17.847 -14.803 -14.232 1.00 21.15 C ATOM 0 H THR A 51 15.703 -13.586 -16.639 1.00 21.35 H new ATOM 0 HA THR A 51 15.034 -14.709 -14.022 1.00 51.43 H new ATOM 0 HB THR A 51 16.790 -13.526 -12.886 1.00 52.41 H new ATOM 0 HG1 THR A 51 18.343 -12.273 -14.116 1.00 2.34 H new ATOM 0 HG21 THR A 51 18.822 -14.593 -13.791 1.00 21.15 H new ATOM 0 HG22 THR A 51 17.437 -15.711 -13.790 1.00 21.15 H new ATOM 0 HG23 THR A 51 17.958 -14.941 -15.308 1.00 21.15 H new ATOM 780 N ARG A 52 14.287 -12.297 -13.238 1.00 60.41 N ATOM 781 CA ARG A 52 13.477 -11.110 -12.995 1.00 44.54 C ATOM 782 C ARG A 52 14.143 -9.868 -13.583 1.00 22.53 C ATOM 783 O ARG A 52 13.471 -8.900 -13.936 1.00 12.51 O ATOM 784 CB ARG A 52 13.251 -10.918 -11.494 1.00 65.25 C ATOM 785 CG ARG A 52 14.488 -10.445 -10.748 1.00 10.11 C ATOM 786 CD ARG A 52 14.307 -10.558 -9.242 1.00 51.13 C ATOM 787 NE ARG A 52 15.572 -10.414 -8.527 1.00 12.24 N ATOM 788 CZ ARG A 52 16.195 -9.252 -8.362 1.00 32.22 C ATOM 789 NH1 ARG A 52 15.672 -8.140 -8.859 1.00 2.44 N ATOM 790 NH2 ARG A 52 17.343 -9.202 -7.698 1.00 52.03 N ATOM 0 H ARG A 52 14.520 -12.827 -12.399 1.00 60.41 H new ATOM 0 HA ARG A 52 12.514 -11.252 -13.485 1.00 44.54 H new ATOM 0 HB2 ARG A 52 12.449 -10.195 -11.345 1.00 65.25 H new ATOM 0 HB3 ARG A 52 12.915 -11.861 -11.062 1.00 65.25 H new ATOM 0 HG2 ARG A 52 15.349 -11.037 -11.058 1.00 10.11 H new ATOM 0 HG3 ARG A 52 14.701 -9.409 -11.013 1.00 10.11 H new ATOM 0 HD2 ARG A 52 13.609 -9.793 -8.902 1.00 51.13 H new ATOM 0 HD3 ARG A 52 13.863 -11.524 -9.002 1.00 51.13 H new ATOM 0 HE ARG A 52 16.001 -11.251 -8.133 1.00 12.24 H new ATOM 0 HH11 ARG A 52 14.790 -8.175 -9.369 1.00 2.44 H new ATOM 0 HH12 ARG A 52 16.152 -7.249 -8.731 1.00 2.44 H new ATOM 0 HH21 ARG A 52 17.748 -10.056 -7.314 1.00 52.03 H new ATOM 0 HH22 ARG A 52 17.821 -8.310 -7.572 1.00 52.03 H new ATOM 804 N ASP A 53 15.467 -9.906 -13.683 1.00 42.53 N ATOM 805 CA ASP A 53 16.224 -8.785 -14.228 1.00 43.51 C ATOM 806 C ASP A 53 16.065 -8.707 -15.743 1.00 45.33 C ATOM 807 O ASP A 53 15.739 -7.653 -16.289 1.00 21.21 O ATOM 808 CB ASP A 53 17.704 -8.916 -13.864 1.00 50.21 C ATOM 809 CG ASP A 53 18.323 -7.589 -13.469 1.00 32.54 C ATOM 810 OD1 ASP A 53 17.717 -6.540 -13.769 1.00 11.35 O ATOM 811 OD2 ASP A 53 19.413 -7.601 -12.860 1.00 24.22 O ATOM 0 H ASP A 53 16.038 -10.700 -13.394 1.00 42.53 H new ATOM 0 HA ASP A 53 15.831 -7.867 -13.792 1.00 43.51 H new ATOM 0 HB2 ASP A 53 17.812 -9.623 -13.041 1.00 50.21 H new ATOM 0 HB3 ASP A 53 18.249 -9.329 -14.713 1.00 50.21 H new ATOM 816 N GLU A 54 16.300 -9.829 -16.416 1.00 74.03 N ATOM 817 CA GLU A 54 16.184 -9.886 -17.869 1.00 22.22 C ATOM 818 C GLU A 54 14.839 -9.332 -18.330 1.00 22.01 C ATOM 819 O GLU A 54 14.777 -8.485 -19.221 1.00 3.41 O ATOM 820 CB GLU A 54 16.350 -11.326 -18.360 1.00 2.05 C ATOM 821 CG GLU A 54 16.477 -11.444 -19.869 1.00 41.31 C ATOM 822 CD GLU A 54 17.138 -12.739 -20.300 1.00 3.43 C ATOM 823 OE1 GLU A 54 17.971 -13.263 -19.531 1.00 32.24 O ATOM 824 OE2 GLU A 54 16.824 -13.227 -21.405 1.00 50.10 O ATOM 0 H GLU A 54 16.572 -10.710 -15.979 1.00 74.03 H new ATOM 0 HA GLU A 54 16.976 -9.271 -18.295 1.00 22.22 H new ATOM 0 HB2 GLU A 54 17.235 -11.760 -17.894 1.00 2.05 H new ATOM 0 HB3 GLU A 54 15.495 -11.915 -18.029 1.00 2.05 H new ATOM 0 HG2 GLU A 54 15.487 -11.379 -20.319 1.00 41.31 H new ATOM 0 HG3 GLU A 54 17.056 -10.602 -20.248 1.00 41.31 H new ATOM 831 N TYR A 55 13.765 -9.817 -17.717 1.00 60.13 N ATOM 832 CA TYR A 55 12.421 -9.373 -18.066 1.00 74.42 C ATOM 833 C TYR A 55 12.251 -7.882 -17.791 1.00 75.44 C ATOM 834 O TYR A 55 11.950 -7.102 -18.696 1.00 62.41 O ATOM 835 CB TYR A 55 11.378 -10.170 -17.280 1.00 71.45 C ATOM 836 CG TYR A 55 9.981 -9.599 -17.375 1.00 4.52 C ATOM 837 CD1 TYR A 55 9.158 -9.899 -18.453 1.00 12.43 C ATOM 838 CD2 TYR A 55 9.485 -8.759 -16.385 1.00 43.32 C ATOM 839 CE1 TYR A 55 7.882 -9.378 -18.543 1.00 54.42 C ATOM 840 CE2 TYR A 55 8.210 -8.234 -16.467 1.00 32.34 C ATOM 841 CZ TYR A 55 7.412 -8.546 -17.548 1.00 21.33 C ATOM 842 OH TYR A 55 6.141 -8.026 -17.634 1.00 32.45 O ATOM 0 H TYR A 55 13.799 -10.517 -16.976 1.00 60.13 H new ATOM 0 HA TYR A 55 12.274 -9.546 -19.132 1.00 74.42 H new ATOM 0 HB2 TYR A 55 11.367 -11.197 -17.645 1.00 71.45 H new ATOM 0 HB3 TYR A 55 11.676 -10.207 -16.232 1.00 71.45 H new ATOM 0 HD1 TYR A 55 9.522 -10.550 -19.234 1.00 12.43 H new ATOM 0 HD2 TYR A 55 10.107 -8.513 -15.537 1.00 43.32 H new ATOM 0 HE1 TYR A 55 7.255 -9.621 -19.388 1.00 54.42 H new ATOM 0 HE2 TYR A 55 7.840 -7.583 -15.689 1.00 32.34 H new ATOM 0 HH TYR A 55 5.511 -8.627 -17.185 1.00 32.45 H new ATOM 852 N LEU A 56 12.445 -7.493 -16.536 1.00 62.13 N ATOM 853 CA LEU A 56 12.315 -6.095 -16.140 1.00 33.21 C ATOM 854 C LEU A 56 13.133 -5.191 -17.056 1.00 1.23 C ATOM 855 O LEU A 56 12.754 -4.049 -17.318 1.00 32.42 O ATOM 856 CB LEU A 56 12.764 -5.912 -14.689 1.00 71.02 C ATOM 857 CG LEU A 56 11.675 -6.058 -13.626 1.00 31.12 C ATOM 858 CD1 LEU A 56 12.273 -6.536 -12.312 1.00 33.42 C ATOM 859 CD2 LEU A 56 10.940 -4.740 -13.431 1.00 34.11 C ATOM 0 H LEU A 56 12.693 -8.126 -15.775 1.00 62.13 H new ATOM 0 HA LEU A 56 11.265 -5.814 -16.227 1.00 33.21 H new ATOM 0 HB2 LEU A 56 13.549 -6.638 -14.478 1.00 71.02 H new ATOM 0 HB3 LEU A 56 13.210 -4.922 -14.590 1.00 71.02 H new ATOM 0 HG LEU A 56 10.958 -6.804 -13.968 1.00 31.12 H new ATOM 0 HD11 LEU A 56 11.483 -6.634 -11.567 1.00 33.42 H new ATOM 0 HD12 LEU A 56 12.753 -7.503 -12.461 1.00 33.42 H new ATOM 0 HD13 LEU A 56 13.012 -5.814 -11.964 1.00 33.42 H new ATOM 0 HD21 LEU A 56 10.168 -4.863 -12.671 1.00 34.11 H new ATOM 0 HD22 LEU A 56 11.646 -3.974 -13.111 1.00 34.11 H new ATOM 0 HD23 LEU A 56 10.478 -4.438 -14.371 1.00 34.11 H new ATOM 871 N SER A 57 14.256 -5.709 -17.541 1.00 65.52 N ATOM 872 CA SER A 57 15.130 -4.948 -18.427 1.00 34.20 C ATOM 873 C SER A 57 14.494 -4.781 -19.804 1.00 11.42 C ATOM 874 O SER A 57 14.335 -3.662 -20.295 1.00 64.45 O ATOM 875 CB SER A 57 16.486 -5.642 -18.560 1.00 64.33 C ATOM 876 OG SER A 57 17.443 -4.783 -19.156 1.00 12.43 O ATOM 0 H SER A 57 14.583 -6.653 -17.336 1.00 65.52 H new ATOM 0 HA SER A 57 15.277 -3.960 -17.991 1.00 34.20 H new ATOM 0 HB2 SER A 57 16.836 -5.954 -17.576 1.00 64.33 H new ATOM 0 HB3 SER A 57 16.379 -6.545 -19.162 1.00 64.33 H new ATOM 0 HG SER A 57 18.302 -5.250 -19.228 1.00 12.43 H new ATOM 882 N LEU A 58 14.132 -5.900 -20.421 1.00 53.42 N ATOM 883 CA LEU A 58 13.513 -5.879 -21.742 1.00 52.31 C ATOM 884 C LEU A 58 12.222 -5.066 -21.726 1.00 20.12 C ATOM 885 O LEU A 58 12.001 -4.215 -22.587 1.00 50.04 O ATOM 886 CB LEU A 58 13.225 -7.305 -22.215 1.00 1.22 C ATOM 887 CG LEU A 58 14.447 -8.190 -22.459 1.00 25.53 C ATOM 888 CD1 LEU A 58 14.036 -9.498 -23.118 1.00 4.13 C ATOM 889 CD2 LEU A 58 15.473 -7.460 -23.313 1.00 24.01 C ATOM 0 H LEU A 58 14.256 -6.833 -20.028 1.00 53.42 H new ATOM 0 HA LEU A 58 14.210 -5.407 -22.435 1.00 52.31 H new ATOM 0 HB2 LEU A 58 12.591 -7.791 -21.474 1.00 1.22 H new ATOM 0 HB3 LEU A 58 12.650 -7.251 -23.139 1.00 1.22 H new ATOM 0 HG LEU A 58 14.903 -8.420 -21.496 1.00 25.53 H new ATOM 0 HD11 LEU A 58 14.919 -10.115 -23.284 1.00 4.13 H new ATOM 0 HD12 LEU A 58 13.339 -10.029 -22.470 1.00 4.13 H new ATOM 0 HD13 LEU A 58 13.555 -9.289 -24.073 1.00 4.13 H new ATOM 0 HD21 LEU A 58 16.336 -8.106 -23.476 1.00 24.01 H new ATOM 0 HD22 LEU A 58 15.028 -7.199 -24.273 1.00 24.01 H new ATOM 0 HD23 LEU A 58 15.791 -6.551 -22.802 1.00 24.01 H new ATOM 901 N VAL A 59 11.373 -5.333 -20.738 1.00 60.14 N ATOM 902 CA VAL A 59 10.106 -4.625 -20.607 1.00 55.55 C ATOM 903 C VAL A 59 10.320 -3.115 -20.581 1.00 32.43 C ATOM 904 O VAL A 59 9.756 -2.384 -21.394 1.00 0.42 O ATOM 905 CB VAL A 59 9.355 -5.048 -19.331 1.00 30.21 C ATOM 906 CG1 VAL A 59 8.009 -4.346 -19.245 1.00 14.31 C ATOM 907 CG2 VAL A 59 9.181 -6.559 -19.292 1.00 52.14 C ATOM 0 H VAL A 59 11.540 -6.035 -20.017 1.00 60.14 H new ATOM 0 HA VAL A 59 9.505 -4.889 -21.477 1.00 55.55 H new ATOM 0 HB VAL A 59 9.948 -4.751 -18.466 1.00 30.21 H new ATOM 0 HG11 VAL A 59 7.493 -4.658 -18.337 1.00 14.31 H new ATOM 0 HG12 VAL A 59 8.162 -3.267 -19.223 1.00 14.31 H new ATOM 0 HG13 VAL A 59 7.405 -4.609 -20.113 1.00 14.31 H new ATOM 0 HG21 VAL A 59 8.648 -6.841 -18.384 1.00 52.14 H new ATOM 0 HG22 VAL A 59 8.610 -6.882 -20.162 1.00 52.14 H new ATOM 0 HG23 VAL A 59 10.160 -7.038 -19.302 1.00 52.14 H new ATOM 917 N ALA A 60 11.139 -2.656 -19.640 1.00 60.24 N ATOM 918 CA ALA A 60 11.430 -1.234 -19.509 1.00 23.01 C ATOM 919 C ALA A 60 11.837 -0.631 -20.849 1.00 54.32 C ATOM 920 O ALA A 60 11.244 0.347 -21.305 1.00 41.35 O ATOM 921 CB ALA A 60 12.524 -1.013 -18.475 1.00 3.31 C ATOM 0 H ALA A 60 11.612 -3.248 -18.958 1.00 60.24 H new ATOM 0 HA ALA A 60 10.522 -0.732 -19.175 1.00 23.01 H new ATOM 0 HB1 ALA A 60 12.732 0.053 -18.387 1.00 3.31 H new ATOM 0 HB2 ALA A 60 12.196 -1.400 -17.510 1.00 3.31 H new ATOM 0 HB3 ALA A 60 13.429 -1.534 -18.786 1.00 3.31 H new ATOM 927 N ARG A 61 12.851 -1.219 -21.475 1.00 33.43 N ATOM 928 CA ARG A 61 13.337 -0.738 -22.762 1.00 62.11 C ATOM 929 C ARG A 61 12.188 -0.584 -23.754 1.00 42.32 C ATOM 930 O ARG A 61 12.129 0.391 -24.505 1.00 60.34 O ATOM 931 CB ARG A 61 14.387 -1.698 -23.326 1.00 14.11 C ATOM 932 CG ARG A 61 15.817 -1.274 -23.038 1.00 3.51 C ATOM 933 CD ARG A 61 16.791 -2.424 -23.240 1.00 20.14 C ATOM 934 NE ARG A 61 18.181 -1.978 -23.203 1.00 0.41 N ATOM 935 CZ ARG A 61 18.756 -1.282 -24.178 1.00 74.30 C ATOM 936 NH1 ARG A 61 18.063 -0.955 -25.260 1.00 62.34 N ATOM 937 NH2 ARG A 61 20.025 -0.912 -24.071 1.00 64.13 N ATOM 0 H ARG A 61 13.352 -2.030 -21.111 1.00 33.43 H new ATOM 0 HA ARG A 61 13.794 0.239 -22.607 1.00 62.11 H new ATOM 0 HB2 ARG A 61 14.220 -2.691 -22.909 1.00 14.11 H new ATOM 0 HB3 ARG A 61 14.251 -1.779 -24.404 1.00 14.11 H new ATOM 0 HG2 ARG A 61 16.090 -0.445 -23.691 1.00 3.51 H new ATOM 0 HG3 ARG A 61 15.890 -0.910 -22.013 1.00 3.51 H new ATOM 0 HD2 ARG A 61 16.631 -3.175 -22.466 1.00 20.14 H new ATOM 0 HD3 ARG A 61 16.590 -2.905 -24.197 1.00 20.14 H new ATOM 0 HE ARG A 61 18.741 -2.214 -22.384 1.00 0.41 H new ATOM 0 HH11 ARG A 61 17.087 -1.238 -25.345 1.00 62.34 H new ATOM 0 HH12 ARG A 61 18.506 -0.421 -26.007 1.00 62.34 H new ATOM 0 HH21 ARG A 61 20.561 -1.162 -23.240 1.00 64.13 H new ATOM 0 HH22 ARG A 61 20.465 -0.378 -24.820 1.00 64.13 H new ATOM 951 N LEU A 62 11.278 -1.551 -23.752 1.00 72.11 N ATOM 952 CA LEU A 62 10.130 -1.523 -24.652 1.00 61.53 C ATOM 953 C LEU A 62 9.227 -0.333 -24.346 1.00 73.15 C ATOM 954 O LEU A 62 8.935 0.479 -25.225 1.00 75.41 O ATOM 955 CB LEU A 62 9.335 -2.825 -24.536 1.00 53.03 C ATOM 956 CG LEU A 62 8.045 -2.899 -25.355 1.00 1.43 C ATOM 957 CD1 LEU A 62 7.979 -4.205 -26.130 1.00 32.31 C ATOM 958 CD2 LEU A 62 6.830 -2.751 -24.450 1.00 43.31 C ATOM 0 H LEU A 62 11.312 -2.364 -23.137 1.00 72.11 H new ATOM 0 HA LEU A 62 10.501 -1.420 -25.672 1.00 61.53 H new ATOM 0 HB2 LEU A 62 9.981 -3.650 -24.837 1.00 53.03 H new ATOM 0 HB3 LEU A 62 9.085 -2.983 -23.487 1.00 53.03 H new ATOM 0 HG LEU A 62 8.043 -2.076 -26.070 1.00 1.43 H new ATOM 0 HD11 LEU A 62 7.055 -4.240 -26.707 1.00 32.31 H new ATOM 0 HD12 LEU A 62 8.831 -4.270 -26.806 1.00 32.31 H new ATOM 0 HD13 LEU A 62 8.004 -5.043 -25.433 1.00 32.31 H new ATOM 0 HD21 LEU A 62 5.921 -2.806 -25.049 1.00 43.31 H new ATOM 0 HD22 LEU A 62 6.827 -3.553 -23.711 1.00 43.31 H new ATOM 0 HD23 LEU A 62 6.871 -1.788 -23.940 1.00 43.31 H new ATOM 970 N ILE A 63 8.790 -0.235 -23.096 1.00 15.24 N ATOM 971 CA ILE A 63 7.922 0.858 -22.674 1.00 5.34 C ATOM 972 C ILE A 63 8.562 2.211 -22.965 1.00 44.41 C ATOM 973 O ILE A 63 7.929 3.098 -23.538 1.00 50.25 O ATOM 974 CB ILE A 63 7.596 0.770 -21.171 1.00 43.20 C ATOM 975 CG1 ILE A 63 6.601 -0.362 -20.908 1.00 64.14 C ATOM 976 CG2 ILE A 63 7.042 2.096 -20.671 1.00 25.03 C ATOM 977 CD1 ILE A 63 6.356 -0.622 -19.439 1.00 20.14 C ATOM 0 H ILE A 63 9.022 -0.899 -22.357 1.00 15.24 H new ATOM 0 HA ILE A 63 6.998 0.765 -23.244 1.00 5.34 H new ATOM 0 HB ILE A 63 8.515 0.554 -20.627 1.00 43.20 H new ATOM 0 HG12 ILE A 63 5.653 -0.121 -21.389 1.00 64.14 H new ATOM 0 HG13 ILE A 63 6.971 -1.275 -21.374 1.00 64.14 H new ATOM 0 HG21 ILE A 63 6.816 2.018 -19.607 1.00 25.03 H new ATOM 0 HG22 ILE A 63 7.781 2.882 -20.829 1.00 25.03 H new ATOM 0 HG23 ILE A 63 6.131 2.339 -21.218 1.00 25.03 H new ATOM 0 HD11 ILE A 63 5.641 -1.437 -19.328 1.00 20.14 H new ATOM 0 HD12 ILE A 63 7.294 -0.895 -18.956 1.00 20.14 H new ATOM 0 HD13 ILE A 63 5.956 0.278 -18.972 1.00 20.14 H new ATOM 989 N ILE A 64 9.821 2.362 -22.568 1.00 44.10 N ATOM 990 CA ILE A 64 10.548 3.606 -22.789 1.00 50.14 C ATOM 991 C ILE A 64 10.560 3.980 -24.268 1.00 12.24 C ATOM 992 O ILE A 64 10.296 5.127 -24.631 1.00 63.01 O ATOM 993 CB ILE A 64 12.000 3.508 -22.285 1.00 33.44 C ATOM 994 CG1 ILE A 64 12.025 3.385 -20.760 1.00 3.23 C ATOM 995 CG2 ILE A 64 12.801 4.719 -22.738 1.00 23.32 C ATOM 996 CD1 ILE A 64 13.019 2.364 -20.252 1.00 74.51 C ATOM 0 H ILE A 64 10.359 1.638 -22.092 1.00 44.10 H new ATOM 0 HA ILE A 64 10.028 4.380 -22.224 1.00 50.14 H new ATOM 0 HB ILE A 64 12.458 2.615 -22.711 1.00 33.44 H new ATOM 0 HG12 ILE A 64 12.263 4.357 -20.329 1.00 3.23 H new ATOM 0 HG13 ILE A 64 11.029 3.116 -20.409 1.00 3.23 H new ATOM 0 HG21 ILE A 64 13.825 4.635 -22.374 1.00 23.32 H new ATOM 0 HG22 ILE A 64 12.806 4.765 -23.827 1.00 23.32 H new ATOM 0 HG23 ILE A 64 12.347 5.626 -22.338 1.00 23.32 H new ATOM 0 HD11 ILE A 64 12.982 2.331 -19.163 1.00 74.51 H new ATOM 0 HD12 ILE A 64 12.769 1.382 -20.654 1.00 74.51 H new ATOM 0 HD13 ILE A 64 14.023 2.643 -20.573 1.00 74.51 H new ATOM 1008 N HIS A 65 10.866 3.004 -25.117 1.00 14.50 N ATOM 1009 CA HIS A 65 10.909 3.230 -26.557 1.00 43.53 C ATOM 1010 C HIS A 65 9.566 3.742 -27.068 1.00 11.50 C ATOM 1011 O HIS A 65 9.510 4.556 -27.990 1.00 50.41 O ATOM 1012 CB HIS A 65 11.287 1.941 -27.286 1.00 61.50 C ATOM 1013 CG HIS A 65 12.267 2.147 -28.400 1.00 74.31 C ATOM 1014 ND1 HIS A 65 13.602 1.818 -28.299 1.00 32.32 N ATOM 1015 CD2 HIS A 65 12.098 2.650 -29.645 1.00 42.41 C ATOM 1016 CE1 HIS A 65 14.213 2.112 -29.433 1.00 33.34 C ATOM 1017 NE2 HIS A 65 13.322 2.618 -30.267 1.00 3.05 N ATOM 0 H HIS A 65 11.088 2.050 -24.833 1.00 14.50 H new ATOM 0 HA HIS A 65 11.666 3.988 -26.758 1.00 43.53 H new ATOM 0 HB2 HIS A 65 11.709 1.238 -26.568 1.00 61.50 H new ATOM 0 HB3 HIS A 65 10.384 1.483 -27.688 1.00 61.50 H new ATOM 0 HD2 HIS A 65 11.173 3.010 -30.070 1.00 42.41 H new ATOM 0 HE1 HIS A 65 15.262 1.964 -29.642 1.00 33.34 H new ATOM 0 HE2 HIS A 65 13.512 2.934 -31.218 1.00 3.05 H new ATOM 1025 N PHE A 66 8.486 3.260 -26.463 1.00 75.31 N ATOM 1026 CA PHE A 66 7.142 3.667 -26.858 1.00 1.22 C ATOM 1027 C PHE A 66 6.897 5.135 -26.518 1.00 60.54 C ATOM 1028 O PHE A 66 6.361 5.889 -27.330 1.00 42.30 O ATOM 1029 CB PHE A 66 6.096 2.790 -26.166 1.00 4.42 C ATOM 1030 CG PHE A 66 5.763 1.540 -26.928 1.00 52.25 C ATOM 1031 CD1 PHE A 66 5.079 1.609 -28.132 1.00 32.44 C ATOM 1032 CD2 PHE A 66 6.134 0.297 -26.443 1.00 34.33 C ATOM 1033 CE1 PHE A 66 4.770 0.460 -28.835 1.00 30.41 C ATOM 1034 CE2 PHE A 66 5.828 -0.856 -27.142 1.00 11.21 C ATOM 1035 CZ PHE A 66 5.146 -0.774 -28.340 1.00 40.11 C ATOM 0 H PHE A 66 8.515 2.587 -25.697 1.00 75.31 H new ATOM 0 HA PHE A 66 7.054 3.542 -27.937 1.00 1.22 H new ATOM 0 HB2 PHE A 66 6.461 2.516 -25.176 1.00 4.42 H new ATOM 0 HB3 PHE A 66 5.185 3.371 -26.021 1.00 4.42 H new ATOM 0 HD1 PHE A 66 4.785 2.571 -28.525 1.00 32.44 H new ATOM 0 HD2 PHE A 66 6.669 0.227 -25.507 1.00 34.33 H new ATOM 0 HE1 PHE A 66 4.235 0.527 -29.771 1.00 30.41 H new ATOM 0 HE2 PHE A 66 6.122 -1.819 -26.752 1.00 11.21 H new ATOM 0 HZ PHE A 66 4.907 -1.673 -28.889 1.00 40.11 H new