USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 88 SER OG : rot 104:sc= 0.639! USER MOD Set 1.2: A 94 GLN : amide:sc= -0.908! K(o=-0.27!,f=0.88) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.14) USER MOD Set 3.1: A 22 MET CE :methyl 151:sc= -4.58! (180deg=-5.9!) USER MOD Set 3.2: A 26 GLN : amide:sc= -6.63! C(o=-11!,f=-14!) USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 49 LYS NZ :NH3+ 160:sc= 1.47 (180deg=0.969) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -3.99! (180deg=-4.14!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= -1.55 (180deg=-4!) USER MOD Single : A 28 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-1.9!) USER MOD Single : A 37 SER OG : rot -103:sc= -2.14! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0017 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.6) USER MOD Single : A 55 GLN : amide:sc= -8.76! C(o=-8.8!,f=-6.3!) USER MOD Single : A 56 HIS : no HE2:sc= -9.06! C(o=-9.1!,f=-16!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= -2.26 (180deg=-6.84!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0123 (180deg=-0.213) USER MOD Single : A 75 ASN : amide:sc= -2.66 K(o=-2.7,f=-13!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-4!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 87 THR OG1 : rot 20:sc= -4.17! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 9.308 5.130 6.852 1.00 0.00 N ATOM 115 CA PRO A 8 9.089 3.703 6.666 1.00 0.00 C ATOM 116 C PRO A 8 8.238 3.435 5.411 1.00 0.00 C ATOM 117 O PRO A 8 8.637 3.746 4.296 1.00 0.00 O ATOM 118 CB PRO A 8 8.404 3.281 7.973 1.00 0.00 C ATOM 119 CG PRO A 8 7.709 4.542 8.487 1.00 0.00 C ATOM 120 CD PRO A 8 8.567 5.696 7.972 1.00 0.00 C ATOM 0 HA PRO A 8 10.001 3.132 6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.687 2.479 7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.130 2.909 8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.687 4.611 8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.651 4.547 9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.951 6.538 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.239 6.066 8.746 1.00 0.00 H new ATOM 128 N TRP A 9 7.061 2.829 5.655 1.00 0.00 N ATOM 129 CA TRP A 9 6.224 2.426 4.531 1.00 0.00 C ATOM 130 C TRP A 9 5.287 3.544 4.030 1.00 0.00 C ATOM 131 O TRP A 9 4.439 3.306 3.178 1.00 0.00 O ATOM 132 CB TRP A 9 5.406 1.173 4.882 1.00 0.00 C ATOM 133 CG TRP A 9 4.648 1.336 6.186 1.00 0.00 C ATOM 134 CD1 TRP A 9 5.011 0.757 7.407 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.441 2.092 6.428 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.122 1.102 8.373 1.00 0.00 N ATOM 137 CE2 TRP A 9 3.134 1.920 7.845 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.601 2.885 5.610 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.995 2.544 8.409 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.440 3.524 6.180 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.137 3.353 7.580 1.00 0.00 C ATOM 0 H TRP A 9 6.688 2.619 6.581 1.00 0.00 H new ATOM 0 HA TRP A 9 6.909 2.201 3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.702 0.963 4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.073 0.314 4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.874 0.126 7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.173 0.803 9.347 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.829 3.011 4.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.770 2.414 9.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.798 4.130 5.559 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.268 3.831 8.007 1.00 0.00 H new ATOM 152 N PHE A 10 5.472 4.759 4.581 1.00 0.00 N ATOM 153 CA PHE A 10 4.582 5.824 4.159 1.00 0.00 C ATOM 154 C PHE A 10 5.167 6.538 2.938 1.00 0.00 C ATOM 155 O PHE A 10 6.168 7.239 3.021 1.00 0.00 O ATOM 156 CB PHE A 10 4.407 6.815 5.309 1.00 0.00 C ATOM 157 CG PHE A 10 3.236 7.727 5.097 1.00 0.00 C ATOM 158 CD1 PHE A 10 1.981 7.203 4.619 1.00 0.00 C ATOM 159 CD2 PHE A 10 3.352 9.134 5.386 1.00 0.00 C ATOM 160 CE1 PHE A 10 0.851 8.075 4.438 1.00 0.00 C ATOM 161 CE2 PHE A 10 2.224 10.008 5.206 1.00 0.00 C ATOM 162 CZ PHE A 10 0.972 9.477 4.735 1.00 0.00 C ATOM 0 H PHE A 10 6.182 5.006 5.271 1.00 0.00 H new ATOM 0 HA PHE A 10 3.613 5.405 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.274 6.267 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.314 7.410 5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.889 6.150 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.291 9.534 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.087 7.677 4.080 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.316 11.062 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.123 10.132 4.605 1.00 0.00 H new ATOM 172 N PHE A 11 4.470 6.324 1.807 1.00 0.00 N ATOM 173 CA PHE A 11 4.886 7.015 0.606 1.00 0.00 C ATOM 174 C PHE A 11 3.804 8.031 0.239 1.00 0.00 C ATOM 175 O PHE A 11 2.644 7.698 0.042 1.00 0.00 O ATOM 176 CB PHE A 11 5.113 6.001 -0.519 1.00 0.00 C ATOM 177 CG PHE A 11 6.318 5.151 -0.242 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.279 4.145 0.788 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.525 5.338 -1.004 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.436 3.332 1.054 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.685 4.527 -0.741 1.00 0.00 C ATOM 182 CZ PHE A 11 8.639 3.524 0.288 1.00 0.00 C ATOM 0 H PHE A 11 3.661 5.710 1.713 1.00 0.00 H new ATOM 0 HA PHE A 11 5.826 7.543 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.233 5.367 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.243 6.526 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.377 4.000 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.560 6.091 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.402 2.579 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.588 4.672 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.508 2.914 0.486 1.00 0.00 H new ATOM 192 N GLY A 12 4.265 9.290 0.182 1.00 0.00 N ATOM 193 CA GLY A 12 3.335 10.354 -0.154 1.00 0.00 C ATOM 194 C GLY A 12 2.651 10.079 -1.496 1.00 0.00 C ATOM 195 O GLY A 12 2.467 8.940 -1.906 1.00 0.00 O ATOM 0 H GLY A 12 5.228 9.578 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.583 10.446 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.866 11.305 -0.200 1.00 0.00 H new ATOM 199 N LYS A 13 2.287 11.198 -2.150 1.00 0.00 N ATOM 200 CA LYS A 13 1.620 11.031 -3.427 1.00 0.00 C ATOM 201 C LYS A 13 2.630 10.572 -4.477 1.00 0.00 C ATOM 202 O LYS A 13 3.098 11.336 -5.313 1.00 0.00 O ATOM 203 CB LYS A 13 0.938 12.329 -3.870 1.00 0.00 C ATOM 204 CG LYS A 13 1.901 13.517 -3.921 1.00 0.00 C ATOM 205 CD LYS A 13 1.949 14.290 -2.601 1.00 0.00 C ATOM 206 CE LYS A 13 0.800 15.294 -2.468 1.00 0.00 C ATOM 207 NZ LYS A 13 -0.502 14.658 -2.316 1.00 0.00 N ATOM 0 H LYS A 13 2.435 12.157 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 13 0.845 10.272 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.495 12.183 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.122 12.558 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.901 13.159 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.599 14.191 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.910 13.586 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.900 14.818 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.986 15.937 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.783 15.936 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.251 15.372 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.619 13.927 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.567 14.220 -1.375 1.00 0.00 H new ATOM 221 N ILE A 14 2.918 9.263 -4.375 1.00 0.00 N ATOM 222 CA ILE A 14 3.854 8.690 -5.318 1.00 0.00 C ATOM 223 C ILE A 14 3.135 8.429 -6.650 1.00 0.00 C ATOM 224 O ILE A 14 2.062 7.839 -6.685 1.00 0.00 O ATOM 225 CB ILE A 14 4.391 7.379 -4.742 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.617 6.906 -5.518 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.301 6.310 -4.725 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.812 7.821 -5.258 1.00 0.00 C ATOM 0 H ILE A 14 2.532 8.621 -3.682 1.00 0.00 H new ATOM 0 HA ILE A 14 4.683 9.375 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 14 4.699 7.559 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.865 5.885 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.393 6.888 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.704 5.386 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.468 6.650 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.951 6.131 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.674 7.463 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.568 8.836 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.048 7.818 -4.194 1.00 0.00 H new ATOM 240 N PRO A 15 3.772 8.894 -7.751 1.00 0.00 N ATOM 241 CA PRO A 15 3.248 8.681 -9.093 1.00 0.00 C ATOM 242 C PRO A 15 2.821 7.234 -9.349 1.00 0.00 C ATOM 243 O PRO A 15 3.590 6.296 -9.180 1.00 0.00 O ATOM 244 CB PRO A 15 4.406 9.070 -10.012 1.00 0.00 C ATOM 245 CG PRO A 15 5.263 10.030 -9.185 1.00 0.00 C ATOM 246 CD PRO A 15 5.038 9.615 -7.729 1.00 0.00 C ATOM 0 HA PRO A 15 2.345 9.268 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.978 8.194 -10.318 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.044 9.548 -10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.315 9.953 -9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.965 11.066 -9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.849 8.984 -7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.990 10.483 -7.071 1.00 0.00 H new ATOM 254 N ARG A 16 1.543 7.121 -9.759 1.00 0.00 N ATOM 255 CA ARG A 16 0.994 5.803 -10.031 1.00 0.00 C ATOM 256 C ARG A 16 2.048 4.902 -10.681 1.00 0.00 C ATOM 257 O ARG A 16 2.204 3.737 -10.338 1.00 0.00 O ATOM 258 CB ARG A 16 -0.206 5.947 -10.966 1.00 0.00 C ATOM 259 CG ARG A 16 -1.334 6.772 -10.345 1.00 0.00 C ATOM 260 CD ARG A 16 -2.494 6.974 -11.321 1.00 0.00 C ATOM 261 NE ARG A 16 -3.043 5.690 -11.715 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.178 5.666 -12.438 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.780 6.802 -12.782 1.00 0.00 N ATOM 264 NH2 ARG A 16 -4.701 4.501 -12.811 1.00 0.00 N ATOM 0 H ARG A 16 0.902 7.901 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 16 0.683 5.346 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.115 6.418 -11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.583 4.957 -11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.697 6.273 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.946 7.743 -10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.269 7.582 -10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.149 7.516 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.578 4.822 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.381 7.697 -12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.640 6.778 -13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.242 3.629 -12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.561 4.480 -13.359 1.00 0.00 H new ATOM 278 N ALA A 17 2.767 5.531 -11.628 1.00 0.00 N ATOM 279 CA ALA A 17 3.846 4.795 -12.255 1.00 0.00 C ATOM 280 C ALA A 17 4.843 4.356 -11.185 1.00 0.00 C ATOM 281 O ALA A 17 4.903 3.196 -10.799 1.00 0.00 O ATOM 282 CB ALA A 17 4.537 5.676 -13.297 1.00 0.00 C ATOM 0 H ALA A 17 2.625 6.488 -11.952 1.00 0.00 H new ATOM 0 HA ALA A 17 3.447 3.913 -12.756 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.348 5.118 -13.765 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.815 5.975 -14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.941 6.564 -12.812 1.00 0.00 H new ATOM 288 N LYS A 18 5.621 5.362 -10.748 1.00 0.00 N ATOM 289 CA LYS A 18 6.685 5.082 -9.800 1.00 0.00 C ATOM 290 C LYS A 18 6.270 4.002 -8.794 1.00 0.00 C ATOM 291 O LYS A 18 7.070 3.166 -8.393 1.00 0.00 O ATOM 292 CB LYS A 18 7.074 6.363 -9.067 1.00 0.00 C ATOM 293 CG LYS A 18 8.303 6.144 -8.186 1.00 0.00 C ATOM 294 CD LYS A 18 9.548 5.827 -9.016 1.00 0.00 C ATOM 295 CE LYS A 18 10.780 5.612 -8.135 1.00 0.00 C ATOM 296 NZ LYS A 18 11.974 5.312 -8.916 1.00 0.00 N ATOM 0 H LYS A 18 5.531 6.338 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 18 7.544 4.706 -10.355 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.278 7.152 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.239 6.702 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.484 7.036 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.111 5.326 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.368 4.933 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.738 6.643 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.956 6.505 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.589 4.795 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.782 5.174 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.819 4.445 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.174 6.102 -9.561 1.00 0.00 H new ATOM 310 N ALA A 19 4.978 4.065 -8.419 1.00 0.00 N ATOM 311 CA ALA A 19 4.507 3.067 -7.476 1.00 0.00 C ATOM 312 C ALA A 19 4.612 1.677 -8.106 1.00 0.00 C ATOM 313 O ALA A 19 5.383 0.827 -7.678 1.00 0.00 O ATOM 314 CB ALA A 19 3.055 3.354 -7.084 1.00 0.00 C ATOM 0 H ALA A 19 4.292 4.751 -8.735 1.00 0.00 H new ATOM 0 HA ALA A 19 5.125 3.105 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.713 2.599 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.991 4.339 -6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.426 3.329 -7.974 1.00 0.00 H new ATOM 320 N GLU A 20 3.776 1.513 -9.146 1.00 0.00 N ATOM 321 CA GLU A 20 3.759 0.231 -9.823 1.00 0.00 C ATOM 322 C GLU A 20 5.192 -0.215 -10.129 1.00 0.00 C ATOM 323 O GLU A 20 5.627 -1.300 -9.767 1.00 0.00 O ATOM 324 CB GLU A 20 2.959 0.355 -11.120 1.00 0.00 C ATOM 325 CG GLU A 20 1.506 0.753 -10.858 1.00 0.00 C ATOM 326 CD GLU A 20 0.751 0.867 -12.184 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.107 0.159 -13.125 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.180 1.665 -12.262 1.00 0.00 O ATOM 0 H GLU A 20 3.138 2.220 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 20 3.290 -0.514 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.428 1.097 -11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.985 -0.595 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.026 0.012 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.470 1.704 -10.326 1.00 0.00 H new ATOM 335 N GLU A 21 5.880 0.708 -10.822 1.00 0.00 N ATOM 336 CA GLU A 21 7.242 0.437 -11.231 1.00 0.00 C ATOM 337 C GLU A 21 8.093 0.004 -10.034 1.00 0.00 C ATOM 338 O GLU A 21 8.303 -1.177 -9.786 1.00 0.00 O ATOM 339 CB GLU A 21 7.824 1.693 -11.877 1.00 0.00 C ATOM 340 CG GLU A 21 6.985 2.121 -13.081 1.00 0.00 C ATOM 341 CD GLU A 21 7.047 1.043 -14.165 1.00 0.00 C ATOM 342 OE1 GLU A 21 6.209 0.142 -14.144 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.926 1.121 -15.021 1.00 0.00 O ATOM 0 H GLU A 21 5.516 1.620 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 21 7.247 -0.380 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.859 2.501 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.850 1.504 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.951 2.284 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.354 3.068 -13.475 1.00 0.00 H new ATOM 350 N MET A 22 8.589 1.041 -9.335 1.00 0.00 N ATOM 351 CA MET A 22 9.539 0.763 -8.273 1.00 0.00 C ATOM 352 C MET A 22 9.084 -0.439 -7.445 1.00 0.00 C ATOM 353 O MET A 22 9.864 -1.316 -7.094 1.00 0.00 O ATOM 354 CB MET A 22 9.701 1.993 -7.382 1.00 0.00 C ATOM 355 CG MET A 22 8.617 2.079 -6.306 1.00 0.00 C ATOM 356 SD MET A 22 8.909 0.905 -4.975 1.00 0.00 S ATOM 357 CE MET A 22 10.093 1.892 -4.047 1.00 0.00 C ATOM 0 H MET A 22 8.357 2.023 -9.482 1.00 0.00 H new ATOM 0 HA MET A 22 10.503 0.523 -8.721 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.681 1.967 -6.906 1.00 0.00 H new ATOM 0 HB3 MET A 22 9.670 2.892 -7.998 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.586 3.090 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.642 1.886 -6.755 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.029 1.638 -2.989 1.00 0.00 H new ATOM 0 HE2 MET A 22 11.101 1.687 -4.409 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.868 2.950 -4.180 1.00 0.00 H new ATOM 367 N LEU A 23 7.771 -0.410 -7.154 1.00 0.00 N ATOM 368 CA LEU A 23 7.243 -1.443 -6.282 1.00 0.00 C ATOM 369 C LEU A 23 7.304 -2.825 -6.947 1.00 0.00 C ATOM 370 O LEU A 23 7.535 -3.837 -6.297 1.00 0.00 O ATOM 371 CB LEU A 23 5.802 -1.106 -5.903 1.00 0.00 C ATOM 372 CG LEU A 23 5.258 -2.064 -4.845 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.074 -1.967 -3.557 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.785 -1.776 -4.564 1.00 0.00 C ATOM 0 H LEU A 23 7.099 0.279 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 23 7.860 -1.480 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.754 -0.084 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.172 -1.149 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 23 5.344 -3.080 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.669 -2.658 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.113 -2.225 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.023 -0.949 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.417 -2.469 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.677 -0.753 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.209 -1.900 -5.481 1.00 0.00 H new ATOM 386 N SER A 24 7.085 -2.806 -8.276 1.00 0.00 N ATOM 387 CA SER A 24 7.154 -4.068 -8.992 1.00 0.00 C ATOM 388 C SER A 24 8.604 -4.568 -9.061 1.00 0.00 C ATOM 389 O SER A 24 8.885 -5.751 -8.921 1.00 0.00 O ATOM 390 CB SER A 24 6.600 -3.884 -10.405 1.00 0.00 C ATOM 391 OG SER A 24 6.611 -5.103 -11.104 1.00 0.00 O ATOM 0 H SER A 24 6.873 -1.980 -8.836 1.00 0.00 H new ATOM 0 HA SER A 24 6.557 -4.809 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.582 -3.497 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.196 -3.146 -10.942 1.00 0.00 H new ATOM 0 HG SER A 24 6.252 -4.966 -12.005 1.00 0.00 H new ATOM 397 N LYS A 25 9.496 -3.586 -9.286 1.00 0.00 N ATOM 398 CA LYS A 25 10.904 -3.915 -9.396 1.00 0.00 C ATOM 399 C LYS A 25 11.493 -4.265 -8.021 1.00 0.00 C ATOM 400 O LYS A 25 12.637 -3.944 -7.723 1.00 0.00 O ATOM 401 CB LYS A 25 11.637 -2.698 -9.962 1.00 0.00 C ATOM 402 CG LYS A 25 10.962 -2.162 -11.227 1.00 0.00 C ATOM 403 CD LYS A 25 11.510 -0.797 -11.642 1.00 0.00 C ATOM 404 CE LYS A 25 12.916 -0.884 -12.238 1.00 0.00 C ATOM 405 NZ LYS A 25 13.924 -1.257 -11.252 1.00 0.00 N ATOM 0 H LYS A 25 9.267 -2.598 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 25 11.022 -4.779 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.671 -1.912 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.669 -2.968 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.106 -2.872 -12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.888 -2.084 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.837 -0.346 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.527 -0.137 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.918 -1.614 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.181 0.079 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.825 -0.793 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.613 -0.956 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.054 -2.289 -11.261 1.00 0.00 H new ATOM 419 N GLN A 26 10.649 -4.920 -7.198 1.00 0.00 N ATOM 420 CA GLN A 26 11.109 -5.175 -5.846 1.00 0.00 C ATOM 421 C GLN A 26 11.577 -6.621 -5.695 1.00 0.00 C ATOM 422 O GLN A 26 11.155 -7.526 -6.404 1.00 0.00 O ATOM 423 CB GLN A 26 9.991 -4.868 -4.850 1.00 0.00 C ATOM 424 CG GLN A 26 9.678 -3.372 -4.788 1.00 0.00 C ATOM 425 CD GLN A 26 10.869 -2.597 -4.210 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.972 -3.109 -4.071 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.563 -1.331 -3.877 1.00 0.00 N ATOM 0 H GLN A 26 9.715 -5.255 -7.433 1.00 0.00 H new ATOM 0 HA GLN A 26 11.958 -4.523 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.092 -5.416 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.280 -5.220 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.446 -3.001 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.794 -3.205 -4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.617 -0.979 -4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.277 -0.722 -3.476 1.00 0.00 H new ATOM 436 N ARG A 27 12.496 -6.750 -4.721 1.00 0.00 N ATOM 437 CA ARG A 27 13.089 -8.048 -4.480 1.00 0.00 C ATOM 438 C ARG A 27 12.060 -8.966 -3.822 1.00 0.00 C ATOM 439 O ARG A 27 11.980 -9.095 -2.606 1.00 0.00 O ATOM 440 CB ARG A 27 14.315 -7.911 -3.575 1.00 0.00 C ATOM 441 CG ARG A 27 15.579 -7.463 -4.317 1.00 0.00 C ATOM 442 CD ARG A 27 15.484 -6.061 -4.921 1.00 0.00 C ATOM 443 NE ARG A 27 14.726 -6.087 -6.159 1.00 0.00 N ATOM 444 CZ ARG A 27 15.269 -6.679 -7.239 1.00 0.00 C ATOM 445 NH1 ARG A 27 16.480 -7.227 -7.166 1.00 0.00 N ATOM 446 NH2 ARG A 27 14.594 -6.717 -8.383 1.00 0.00 N ATOM 0 H ARG A 27 12.824 -5.996 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 27 13.403 -8.477 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.094 -7.194 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.508 -8.869 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.422 -7.494 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.792 -8.176 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.008 -5.385 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.485 -5.672 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 27 13.799 -5.664 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.000 -7.199 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.888 -7.675 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.666 -6.298 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.004 -7.165 -9.202 1.00 0.00 H new ATOM 460 N HIS A 28 11.310 -9.613 -4.731 1.00 0.00 N ATOM 461 CA HIS A 28 10.430 -10.685 -4.315 1.00 0.00 C ATOM 462 C HIS A 28 9.262 -10.147 -3.488 1.00 0.00 C ATOM 463 O HIS A 28 9.369 -9.182 -2.741 1.00 0.00 O ATOM 464 CB HIS A 28 11.226 -11.719 -3.524 1.00 0.00 C ATOM 465 CG HIS A 28 12.239 -12.381 -4.428 1.00 0.00 C ATOM 466 ND1 HIS A 28 12.804 -11.782 -5.500 1.00 0.00 N ATOM 467 CD2 HIS A 28 12.758 -13.683 -4.325 1.00 0.00 C ATOM 468 CE1 HIS A 28 13.639 -12.692 -6.030 1.00 0.00 C ATOM 469 NE2 HIS A 28 13.632 -13.849 -5.343 1.00 0.00 N ATOM 0 H HIS A 28 11.303 -9.410 -5.730 1.00 0.00 H new ATOM 0 HA HIS A 28 10.010 -11.161 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.731 -11.240 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.553 -12.468 -3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.505 -14.415 -3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 28 14.245 -12.515 -6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.178 -14.686 -5.549 1.00 0.00 H new ATOM 477 N ASP A 29 8.138 -10.854 -3.704 1.00 0.00 N ATOM 478 CA ASP A 29 6.895 -10.496 -3.049 1.00 0.00 C ATOM 479 C ASP A 29 7.145 -9.891 -1.666 1.00 0.00 C ATOM 480 O ASP A 29 7.905 -10.410 -0.858 1.00 0.00 O ATOM 481 CB ASP A 29 6.032 -11.752 -2.909 1.00 0.00 C ATOM 482 CG ASP A 29 4.765 -11.441 -2.109 1.00 0.00 C ATOM 483 OD1 ASP A 29 4.018 -10.552 -2.513 1.00 0.00 O ATOM 484 OD2 ASP A 29 4.541 -12.091 -1.090 1.00 0.00 O ATOM 0 H ASP A 29 8.078 -11.664 -4.321 1.00 0.00 H new ATOM 0 HA ASP A 29 6.386 -9.747 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.763 -12.129 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.600 -12.538 -2.412 1.00 0.00 H new ATOM 489 N GLY A 30 6.423 -8.774 -1.445 1.00 0.00 N ATOM 490 CA GLY A 30 6.390 -8.250 -0.093 1.00 0.00 C ATOM 491 C GLY A 30 6.417 -6.718 -0.065 1.00 0.00 C ATOM 492 O GLY A 30 5.717 -6.080 0.711 1.00 0.00 O ATOM 0 H GLY A 30 5.891 -8.255 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.491 -8.605 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.242 -8.637 0.466 1.00 0.00 H new ATOM 496 N ALA A 31 7.272 -6.173 -0.948 1.00 0.00 N ATOM 497 CA ALA A 31 7.419 -4.730 -0.936 1.00 0.00 C ATOM 498 C ALA A 31 6.037 -4.076 -0.915 1.00 0.00 C ATOM 499 O ALA A 31 5.136 -4.483 -1.636 1.00 0.00 O ATOM 500 CB ALA A 31 8.199 -4.283 -2.172 1.00 0.00 C ATOM 0 H ALA A 31 7.833 -6.680 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 31 7.968 -4.425 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.308 -3.199 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.185 -4.747 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.661 -4.584 -3.071 1.00 0.00 H new ATOM 506 N PHE A 32 5.918 -3.045 -0.055 1.00 0.00 N ATOM 507 CA PHE A 32 4.622 -2.382 -0.042 1.00 0.00 C ATOM 508 C PHE A 32 4.766 -0.870 0.174 1.00 0.00 C ATOM 509 O PHE A 32 5.750 -0.380 0.713 1.00 0.00 O ATOM 510 CB PHE A 32 3.700 -3.007 1.017 1.00 0.00 C ATOM 511 CG PHE A 32 4.018 -2.571 2.420 1.00 0.00 C ATOM 512 CD1 PHE A 32 5.180 -3.076 3.103 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.151 -1.635 3.093 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.474 -2.654 4.447 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.440 -1.215 4.437 1.00 0.00 C ATOM 516 CZ PHE A 32 4.601 -1.725 5.115 1.00 0.00 C ATOM 0 H PHE A 32 6.633 -2.687 0.578 1.00 0.00 H new ATOM 0 HA PHE A 32 4.164 -2.529 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.667 -2.745 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.774 -4.093 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.835 -3.775 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.280 -1.248 2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.349 -3.034 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.785 -0.517 4.937 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.818 -1.411 6.125 1.00 0.00 H new ATOM 526 N LEU A 33 3.695 -0.185 -0.266 1.00 0.00 N ATOM 527 CA LEU A 33 3.602 1.224 0.066 1.00 0.00 C ATOM 528 C LEU A 33 2.138 1.655 0.087 1.00 0.00 C ATOM 529 O LEU A 33 1.306 1.166 -0.668 1.00 0.00 O ATOM 530 CB LEU A 33 4.419 2.097 -0.895 1.00 0.00 C ATOM 531 CG LEU A 33 3.963 2.062 -2.358 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.776 2.995 -2.617 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.124 2.478 -3.262 1.00 0.00 C ATOM 0 H LEU A 33 2.929 -0.567 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 33 4.030 1.365 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.381 3.128 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.462 1.782 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 33 3.645 1.043 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.489 2.936 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.934 2.695 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.059 4.020 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.801 2.454 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.442 3.488 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.957 1.789 -3.124 1.00 0.00 H new ATOM 545 N ILE A 34 1.894 2.606 1.003 1.00 0.00 N ATOM 546 CA ILE A 34 0.584 3.222 1.007 1.00 0.00 C ATOM 547 C ILE A 34 0.716 4.648 0.476 1.00 0.00 C ATOM 548 O ILE A 34 1.381 5.499 1.055 1.00 0.00 O ATOM 549 CB ILE A 34 -0.006 3.218 2.416 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.388 1.797 2.834 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.223 4.140 2.485 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.000 1.759 4.236 1.00 0.00 C ATOM 0 H ILE A 34 2.552 2.941 1.707 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.093 2.656 0.367 1.00 0.00 H new ATOM 0 HB ILE A 34 0.750 3.588 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.099 1.386 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.496 1.161 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.633 4.127 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.925 5.156 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.981 3.795 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.257 0.731 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.280 2.145 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.900 2.374 4.257 1.00 0.00 H new ATOM 564 N ARG A 35 0.056 4.831 -0.681 1.00 0.00 N ATOM 565 CA ARG A 35 0.248 6.089 -1.373 1.00 0.00 C ATOM 566 C ARG A 35 -0.939 7.025 -1.141 1.00 0.00 C ATOM 567 O ARG A 35 -2.096 6.670 -1.329 1.00 0.00 O ATOM 568 CB ARG A 35 0.435 5.823 -2.865 1.00 0.00 C ATOM 569 CG ARG A 35 -0.778 5.115 -3.461 1.00 0.00 C ATOM 570 CD ARG A 35 -0.559 4.757 -4.930 1.00 0.00 C ATOM 571 NE ARG A 35 -0.288 5.961 -5.692 1.00 0.00 N ATOM 572 CZ ARG A 35 -0.563 5.983 -7.009 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.092 4.917 -7.604 1.00 0.00 N ATOM 574 NH2 ARG A 35 -0.304 7.079 -7.717 1.00 0.00 N ATOM 0 H ARG A 35 -0.574 4.163 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 35 1.139 6.577 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.600 6.766 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.326 5.214 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.986 4.208 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.655 5.756 -3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.274 4.060 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.441 4.255 -5.327 1.00 0.00 H new ATOM 0 HE ARG A 35 0.107 6.783 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.291 4.077 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.298 4.940 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.101 7.897 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.510 7.102 -8.716 1.00 0.00 H new ATOM 588 N GLU A 36 -0.557 8.245 -0.726 1.00 0.00 N ATOM 589 CA GLU A 36 -1.569 9.266 -0.538 1.00 0.00 C ATOM 590 C GLU A 36 -1.996 9.812 -1.901 1.00 0.00 C ATOM 591 O GLU A 36 -1.199 9.935 -2.821 1.00 0.00 O ATOM 592 CB GLU A 36 -0.996 10.408 0.302 1.00 0.00 C ATOM 593 CG GLU A 36 -0.468 9.928 1.652 1.00 0.00 C ATOM 594 CD GLU A 36 0.112 11.116 2.422 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.655 11.833 3.061 1.00 0.00 O ATOM 596 OE2 GLU A 36 1.327 11.306 2.377 1.00 0.00 O ATOM 0 H GLU A 36 0.402 8.528 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.429 8.833 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.190 10.892 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.768 11.160 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.271 9.466 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.298 9.166 1.505 1.00 0.00 H new ATOM 603 N SER A 37 -3.300 10.136 -1.969 1.00 0.00 N ATOM 604 CA SER A 37 -3.768 10.747 -3.192 1.00 0.00 C ATOM 605 C SER A 37 -2.993 12.043 -3.430 1.00 0.00 C ATOM 606 O SER A 37 -1.999 12.329 -2.774 1.00 0.00 O ATOM 607 CB SER A 37 -5.258 11.037 -3.047 1.00 0.00 C ATOM 608 OG SER A 37 -5.478 11.976 -2.027 1.00 0.00 O ATOM 0 H SER A 37 -3.996 9.992 -1.237 1.00 0.00 H new ATOM 0 HA SER A 37 -3.610 10.082 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.655 11.415 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.794 10.115 -2.823 1.00 0.00 H new ATOM 0 HG SER A 37 -5.802 11.517 -1.224 1.00 0.00 H new ATOM 614 N GLU A 38 -3.521 12.811 -4.399 1.00 0.00 N ATOM 615 CA GLU A 38 -2.888 14.088 -4.669 1.00 0.00 C ATOM 616 C GLU A 38 -3.689 15.205 -3.998 1.00 0.00 C ATOM 617 O GLU A 38 -3.156 16.056 -3.296 1.00 0.00 O ATOM 618 CB GLU A 38 -2.823 14.320 -6.177 1.00 0.00 C ATOM 619 CG GLU A 38 -2.072 15.609 -6.509 1.00 0.00 C ATOM 620 CD GLU A 38 -0.613 15.490 -6.064 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.024 14.429 -6.262 1.00 0.00 O ATOM 622 OE2 GLU A 38 -0.085 16.459 -5.520 1.00 0.00 O ATOM 0 H GLU A 38 -4.334 12.580 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.874 14.086 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.329 13.475 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.833 14.370 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.120 15.803 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.546 16.455 -6.011 1.00 0.00 H new ATOM 629 N SER A 39 -5.006 15.129 -4.260 1.00 0.00 N ATOM 630 CA SER A 39 -5.890 16.105 -3.653 1.00 0.00 C ATOM 631 C SER A 39 -7.093 15.386 -3.038 1.00 0.00 C ATOM 632 O SER A 39 -8.233 15.562 -3.448 1.00 0.00 O ATOM 633 CB SER A 39 -6.356 17.109 -4.709 1.00 0.00 C ATOM 634 OG SER A 39 -7.201 18.075 -4.137 1.00 0.00 O ATOM 0 H SER A 39 -5.453 14.434 -4.859 1.00 0.00 H new ATOM 0 HA SER A 39 -5.357 16.644 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.492 17.596 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.882 16.586 -5.508 1.00 0.00 H new ATOM 0 HG SER A 39 -7.487 18.709 -4.827 1.00 0.00 H new ATOM 640 N ALA A 40 -6.749 14.565 -2.030 1.00 0.00 N ATOM 641 CA ALA A 40 -7.790 13.785 -1.389 1.00 0.00 C ATOM 642 C ALA A 40 -7.170 12.901 -0.304 1.00 0.00 C ATOM 643 O ALA A 40 -7.122 11.682 -0.415 1.00 0.00 O ATOM 644 CB ALA A 40 -8.486 12.913 -2.435 1.00 0.00 C ATOM 0 H ALA A 40 -5.805 14.435 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.521 14.452 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.269 12.325 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.927 13.548 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.758 12.243 -2.893 1.00 0.00 H new ATOM 650 N PRO A 41 -6.690 13.587 0.759 1.00 0.00 N ATOM 651 CA PRO A 41 -6.010 12.924 1.869 1.00 0.00 C ATOM 652 C PRO A 41 -6.878 11.952 2.685 1.00 0.00 C ATOM 653 O PRO A 41 -6.399 11.276 3.588 1.00 0.00 O ATOM 654 CB PRO A 41 -5.559 14.080 2.762 1.00 0.00 C ATOM 655 CG PRO A 41 -6.433 15.275 2.372 1.00 0.00 C ATOM 656 CD PRO A 41 -6.816 15.029 0.913 1.00 0.00 C ATOM 0 HA PRO A 41 -5.209 12.294 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.684 13.832 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.503 14.302 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.317 15.340 3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.890 16.214 2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.831 15.366 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.155 15.563 0.230 1.00 0.00 H new ATOM 664 N GLY A 42 -8.167 11.907 2.301 1.00 0.00 N ATOM 665 CA GLY A 42 -9.045 10.935 2.928 1.00 0.00 C ATOM 666 C GLY A 42 -9.201 9.677 2.057 1.00 0.00 C ATOM 667 O GLY A 42 -10.257 9.057 2.019 1.00 0.00 O ATOM 0 H GLY A 42 -8.597 12.505 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.645 10.657 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.023 11.384 3.100 1.00 0.00 H new ATOM 671 N ASP A 43 -8.094 9.344 1.365 1.00 0.00 N ATOM 672 CA ASP A 43 -8.139 8.173 0.511 1.00 0.00 C ATOM 673 C ASP A 43 -6.744 7.548 0.429 1.00 0.00 C ATOM 674 O ASP A 43 -5.775 8.182 0.032 1.00 0.00 O ATOM 675 CB ASP A 43 -8.626 8.567 -0.883 1.00 0.00 C ATOM 676 CG ASP A 43 -10.016 9.197 -0.789 1.00 0.00 C ATOM 677 OD1 ASP A 43 -10.996 8.456 -0.745 1.00 0.00 O ATOM 678 OD2 ASP A 43 -10.104 10.425 -0.765 1.00 0.00 O ATOM 0 H ASP A 43 -7.207 9.848 1.385 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.832 7.443 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.928 9.271 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.658 7.689 -1.528 1.00 0.00 H new ATOM 683 N PHE A 44 -6.716 6.266 0.838 1.00 0.00 N ATOM 684 CA PHE A 44 -5.438 5.580 0.842 1.00 0.00 C ATOM 685 C PHE A 44 -5.574 4.227 0.141 1.00 0.00 C ATOM 686 O PHE A 44 -6.650 3.650 0.051 1.00 0.00 O ATOM 687 CB PHE A 44 -4.966 5.381 2.283 1.00 0.00 C ATOM 688 CG PHE A 44 -4.831 6.690 3.002 1.00 0.00 C ATOM 689 CD1 PHE A 44 -5.975 7.286 3.645 1.00 0.00 C ATOM 690 CD2 PHE A 44 -3.558 7.361 3.057 1.00 0.00 C ATOM 691 CE1 PHE A 44 -5.848 8.542 4.335 1.00 0.00 C ATOM 692 CE2 PHE A 44 -3.427 8.616 3.748 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.573 9.206 4.387 1.00 0.00 C ATOM 0 H PHE A 44 -7.520 5.721 1.151 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.703 6.182 0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.673 4.744 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.007 4.863 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.932 6.787 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.697 6.920 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.709 8.986 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.470 9.115 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.476 10.148 4.906 1.00 0.00 H new ATOM 703 N SER A 45 -4.406 3.770 -0.346 1.00 0.00 N ATOM 704 CA SER A 45 -4.380 2.473 -0.995 1.00 0.00 C ATOM 705 C SER A 45 -3.087 1.748 -0.620 1.00 0.00 C ATOM 706 O SER A 45 -2.081 2.362 -0.285 1.00 0.00 O ATOM 707 CB SER A 45 -4.473 2.642 -2.511 1.00 0.00 C ATOM 708 OG SER A 45 -3.413 3.429 -2.990 1.00 0.00 O ATOM 0 H SER A 45 -3.513 4.262 -0.301 1.00 0.00 H new ATOM 0 HA SER A 45 -5.233 1.882 -0.662 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.453 1.664 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.424 3.106 -2.772 1.00 0.00 H new ATOM 0 HG SER A 45 -3.489 3.524 -3.962 1.00 0.00 H new ATOM 714 N LEU A 46 -3.186 0.408 -0.682 1.00 0.00 N ATOM 715 CA LEU A 46 -2.033 -0.381 -0.289 1.00 0.00 C ATOM 716 C LEU A 46 -1.562 -1.227 -1.474 1.00 0.00 C ATOM 717 O LEU A 46 -2.257 -2.115 -1.953 1.00 0.00 O ATOM 718 CB LEU A 46 -2.409 -1.271 0.897 1.00 0.00 C ATOM 719 CG LEU A 46 -1.188 -1.743 1.690 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.625 -2.387 3.005 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.329 -2.717 0.885 1.00 0.00 C ATOM 0 H LEU A 46 -4.007 -0.116 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.218 0.277 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.078 -0.723 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.960 -2.139 0.535 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.578 -0.866 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.746 -2.718 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.176 -1.659 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.265 -3.244 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.527 -3.028 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.923 -3.592 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.022 -2.227 -0.023 1.00 0.00 H new ATOM 733 N SER A 47 -0.337 -0.884 -1.911 1.00 0.00 N ATOM 734 CA SER A 47 0.211 -1.605 -3.044 1.00 0.00 C ATOM 735 C SER A 47 1.346 -2.517 -2.574 1.00 0.00 C ATOM 736 O SER A 47 2.220 -2.119 -1.812 1.00 0.00 O ATOM 737 CB SER A 47 0.728 -0.614 -4.087 1.00 0.00 C ATOM 738 OG SER A 47 -0.307 0.230 -4.525 1.00 0.00 O ATOM 0 H SER A 47 0.254 -0.153 -1.516 1.00 0.00 H new ATOM 0 HA SER A 47 -0.570 -2.216 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.535 -0.018 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.146 -1.156 -4.935 1.00 0.00 H new ATOM 0 HG SER A 47 0.043 0.858 -5.191 1.00 0.00 H new ATOM 744 N VAL A 48 1.269 -3.765 -3.075 1.00 0.00 N ATOM 745 CA VAL A 48 2.295 -4.709 -2.673 1.00 0.00 C ATOM 746 C VAL A 48 2.822 -5.477 -3.885 1.00 0.00 C ATOM 747 O VAL A 48 2.070 -5.988 -4.706 1.00 0.00 O ATOM 748 CB VAL A 48 1.732 -5.706 -1.660 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.792 -6.738 -1.267 1.00 0.00 C ATOM 750 CG2 VAL A 48 1.193 -4.982 -0.429 1.00 0.00 C ATOM 0 H VAL A 48 0.555 -4.114 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 48 3.110 -4.146 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 48 0.903 -6.236 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.369 -7.437 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.116 -7.283 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.647 -6.230 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.798 -5.711 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.998 -4.418 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.398 -4.299 -0.728 1.00 0.00 H new ATOM 760 N LYS A 49 4.164 -5.548 -3.913 1.00 0.00 N ATOM 761 CA LYS A 49 4.766 -6.453 -4.868 1.00 0.00 C ATOM 762 C LYS A 49 4.181 -7.845 -4.623 1.00 0.00 C ATOM 763 O LYS A 49 4.619 -8.577 -3.745 1.00 0.00 O ATOM 764 CB LYS A 49 6.282 -6.480 -4.653 1.00 0.00 C ATOM 765 CG LYS A 49 6.975 -7.550 -5.500 1.00 0.00 C ATOM 766 CD LYS A 49 7.162 -7.131 -6.959 1.00 0.00 C ATOM 767 CE LYS A 49 7.614 -8.312 -7.821 1.00 0.00 C ATOM 768 NZ LYS A 49 7.716 -7.976 -9.235 1.00 0.00 N ATOM 0 H LYS A 49 4.806 -5.021 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 49 4.562 -6.132 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.698 -5.502 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.493 -6.662 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.949 -7.775 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.390 -8.469 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.226 -6.731 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.900 -6.331 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.582 -8.665 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.910 -9.135 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.328 -8.668 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.770 -7.996 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.123 -7.024 -9.337 1.00 0.00 H new ATOM 782 N PHE A 50 3.161 -8.156 -5.441 1.00 0.00 N ATOM 783 CA PHE A 50 2.519 -9.444 -5.260 1.00 0.00 C ATOM 784 C PHE A 50 2.892 -10.377 -6.413 1.00 0.00 C ATOM 785 O PHE A 50 2.598 -10.122 -7.575 1.00 0.00 O ATOM 786 CB PHE A 50 1.001 -9.269 -5.189 1.00 0.00 C ATOM 787 CG PHE A 50 0.302 -10.587 -5.036 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.944 -11.678 -4.348 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.019 -10.772 -5.579 1.00 0.00 C ATOM 790 CE1 PHE A 50 0.273 -12.942 -4.203 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.695 -12.035 -5.435 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.048 -13.119 -4.746 1.00 0.00 C ATOM 0 H PHE A 50 2.790 -7.567 -6.186 1.00 0.00 H new ATOM 0 HA PHE A 50 2.863 -9.885 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.747 -8.622 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.648 -8.772 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.935 -11.546 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.505 -9.959 -6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.760 -13.757 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.686 -12.168 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.554 -14.067 -4.636 1.00 0.00 H new ATOM 802 N GLY A 51 3.558 -11.471 -6.004 1.00 0.00 N ATOM 803 CA GLY A 51 3.958 -12.438 -7.007 1.00 0.00 C ATOM 804 C GLY A 51 4.876 -11.783 -8.040 1.00 0.00 C ATOM 805 O GLY A 51 6.087 -11.697 -7.871 1.00 0.00 O ATOM 0 H GLY A 51 3.813 -11.690 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.472 -13.274 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.076 -12.846 -7.501 1.00 0.00 H new ATOM 809 N ASN A 52 4.213 -11.345 -9.125 1.00 0.00 N ATOM 810 CA ASN A 52 4.979 -10.753 -10.208 1.00 0.00 C ATOM 811 C ASN A 52 4.512 -9.322 -10.536 1.00 0.00 C ATOM 812 O ASN A 52 5.276 -8.510 -11.041 1.00 0.00 O ATOM 813 CB ASN A 52 4.842 -11.629 -11.453 1.00 0.00 C ATOM 814 CG ASN A 52 5.720 -11.080 -12.578 1.00 0.00 C ATOM 815 OD1 ASN A 52 6.695 -10.375 -12.352 1.00 0.00 O ATOM 816 ND2 ASN A 52 5.297 -11.447 -13.802 1.00 0.00 N ATOM 0 H ASN A 52 3.203 -11.389 -9.263 1.00 0.00 H new ATOM 0 HA ASN A 52 6.020 -10.694 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.133 -12.653 -11.221 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.801 -11.658 -11.774 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.802 -11.134 -14.631 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.472 -12.039 -13.900 1.00 0.00 H new ATOM 823 N ASP A 53 3.223 -9.065 -10.236 1.00 0.00 N ATOM 824 CA ASP A 53 2.682 -7.772 -10.607 1.00 0.00 C ATOM 825 C ASP A 53 2.432 -6.937 -9.347 1.00 0.00 C ATOM 826 O ASP A 53 2.770 -7.327 -8.236 1.00 0.00 O ATOM 827 CB ASP A 53 1.390 -7.979 -11.403 1.00 0.00 C ATOM 828 CG ASP A 53 0.936 -6.674 -12.061 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.794 -5.889 -12.461 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.271 -6.455 -12.161 1.00 0.00 O ATOM 0 H ASP A 53 2.581 -9.703 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 53 3.392 -7.232 -11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.548 -8.740 -12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.606 -8.349 -10.742 1.00 0.00 H new ATOM 835 N VAL A 54 1.823 -5.766 -9.603 1.00 0.00 N ATOM 836 CA VAL A 54 1.541 -4.868 -8.500 1.00 0.00 C ATOM 837 C VAL A 54 0.053 -4.933 -8.150 1.00 0.00 C ATOM 838 O VAL A 54 -0.818 -4.689 -8.977 1.00 0.00 O ATOM 839 CB VAL A 54 1.939 -3.446 -8.891 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.558 -2.450 -7.796 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.435 -3.377 -9.196 1.00 0.00 C ATOM 0 H VAL A 54 1.532 -5.440 -10.525 1.00 0.00 H new ATOM 0 HA VAL A 54 2.116 -5.167 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 54 1.392 -3.173 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.852 -1.445 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.480 -2.480 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.069 -2.714 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.703 -2.357 -9.473 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.000 -3.674 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.670 -4.051 -10.020 1.00 0.00 H new ATOM 851 N GLN A 55 -0.169 -5.284 -6.872 1.00 0.00 N ATOM 852 CA GLN A 55 -1.542 -5.405 -6.424 1.00 0.00 C ATOM 853 C GLN A 55 -1.959 -4.133 -5.684 1.00 0.00 C ATOM 854 O GLN A 55 -1.138 -3.317 -5.283 1.00 0.00 O ATOM 855 CB GLN A 55 -1.685 -6.642 -5.538 1.00 0.00 C ATOM 856 CG GLN A 55 -3.128 -6.874 -5.088 1.00 0.00 C ATOM 857 CD GLN A 55 -3.243 -8.244 -4.414 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.230 -8.954 -4.563 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.163 -8.569 -3.679 1.00 0.00 N ATOM 0 H GLN A 55 0.549 -5.477 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.203 -5.525 -7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.332 -7.518 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.047 -6.533 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.434 -6.090 -4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.800 -6.822 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.381 -7.918 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.127 -9.466 -3.195 1.00 0.00 H new ATOM 868 N HIS A 56 -3.293 -4.013 -5.565 1.00 0.00 N ATOM 869 CA HIS A 56 -3.819 -2.758 -5.060 1.00 0.00 C ATOM 870 C HIS A 56 -5.005 -3.010 -4.124 1.00 0.00 C ATOM 871 O HIS A 56 -5.908 -3.784 -4.415 1.00 0.00 O ATOM 872 CB HIS A 56 -4.255 -1.894 -6.245 1.00 0.00 C ATOM 873 CG HIS A 56 -4.753 -0.555 -5.755 1.00 0.00 C ATOM 874 ND1 HIS A 56 -4.205 0.628 -6.110 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.831 -0.303 -4.891 1.00 0.00 C ATOM 876 CE1 HIS A 56 -4.929 1.569 -5.480 1.00 0.00 C ATOM 877 NE2 HIS A 56 -5.917 1.038 -4.737 1.00 0.00 N ATOM 0 H HIS A 56 -3.981 -4.729 -5.799 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.045 -2.242 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.418 -1.752 -6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.041 -2.401 -6.805 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.407 0.776 -6.728 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.472 -1.042 -4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.740 2.629 -5.561 1.00 0.00 H new ATOM 885 N PHE A 57 -4.933 -2.297 -2.983 1.00 0.00 N ATOM 886 CA PHE A 57 -6.022 -2.406 -2.031 1.00 0.00 C ATOM 887 C PHE A 57 -6.382 -1.024 -1.484 1.00 0.00 C ATOM 888 O PHE A 57 -5.698 -0.467 -0.634 1.00 0.00 O ATOM 889 CB PHE A 57 -5.617 -3.320 -0.875 1.00 0.00 C ATOM 890 CG PHE A 57 -5.413 -4.730 -1.341 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.551 -5.560 -1.643 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.084 -5.266 -1.490 1.00 0.00 C ATOM 893 CE1 PHE A 57 -6.365 -6.915 -2.090 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.895 -6.621 -1.936 1.00 0.00 C ATOM 895 CZ PHE A 57 -5.036 -7.445 -2.236 1.00 0.00 C ATOM 0 H PHE A 57 -4.170 -1.674 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.889 -2.829 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.699 -2.949 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.387 -3.297 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.549 -5.163 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.227 -4.649 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.222 -7.533 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.897 -7.019 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.894 -8.462 -2.571 1.00 0.00 H new ATOM 905 N LYS A 58 -7.512 -0.524 -2.013 1.00 0.00 N ATOM 906 CA LYS A 58 -7.985 0.756 -1.527 1.00 0.00 C ATOM 907 C LYS A 58 -8.339 0.656 -0.043 1.00 0.00 C ATOM 908 O LYS A 58 -9.306 0.015 0.350 1.00 0.00 O ATOM 909 CB LYS A 58 -9.223 1.165 -2.320 1.00 0.00 C ATOM 910 CG LYS A 58 -8.902 1.389 -3.796 1.00 0.00 C ATOM 911 CD LYS A 58 -8.188 2.713 -4.027 1.00 0.00 C ATOM 912 CE LYS A 58 -8.040 3.034 -5.513 1.00 0.00 C ATOM 913 NZ LYS A 58 -7.311 4.277 -5.741 1.00 0.00 N ATOM 0 H LYS A 58 -8.079 -0.967 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.200 1.502 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.986 0.392 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.641 2.078 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.279 0.572 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.825 1.368 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.742 3.514 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.202 2.678 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.520 2.214 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.028 3.106 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.236 4.453 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.819 5.065 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.358 4.201 -5.332 1.00 0.00 H new ATOM 927 N VAL A 59 -7.504 1.357 0.743 1.00 0.00 N ATOM 928 CA VAL A 59 -7.836 1.474 2.148 1.00 0.00 C ATOM 929 C VAL A 59 -8.943 2.518 2.298 1.00 0.00 C ATOM 930 O VAL A 59 -8.731 3.630 2.767 1.00 0.00 O ATOM 931 CB VAL A 59 -6.596 1.889 2.940 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.944 2.109 4.411 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.484 0.850 2.793 1.00 0.00 C ATOM 0 H VAL A 59 -6.647 1.821 0.442 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.183 0.516 2.536 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.232 2.832 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.048 2.404 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.694 2.895 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.339 1.185 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.612 1.167 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.833 -0.112 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.213 0.754 1.742 1.00 0.00 H new ATOM 943 N LEU A 60 -10.131 2.077 1.849 1.00 0.00 N ATOM 944 CA LEU A 60 -11.259 2.982 1.823 1.00 0.00 C ATOM 945 C LEU A 60 -11.827 3.162 3.228 1.00 0.00 C ATOM 946 O LEU A 60 -11.502 2.428 4.151 1.00 0.00 O ATOM 947 CB LEU A 60 -12.345 2.387 0.936 1.00 0.00 C ATOM 948 CG LEU A 60 -11.891 2.225 -0.516 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.984 1.556 -1.352 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.490 3.568 -1.127 1.00 0.00 C ATOM 0 H LEU A 60 -10.318 1.132 1.514 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.931 3.948 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.641 1.415 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.227 3.026 0.968 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.011 1.582 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.641 1.450 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.206 0.571 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.885 2.169 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.173 3.418 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.342 4.247 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.669 3.998 -0.554 1.00 0.00 H new ATOM 962 N ARG A 61 -12.710 4.170 3.322 1.00 0.00 N ATOM 963 CA ARG A 61 -13.377 4.339 4.596 1.00 0.00 C ATOM 964 C ARG A 61 -14.851 4.694 4.361 1.00 0.00 C ATOM 965 O ARG A 61 -15.476 4.228 3.417 1.00 0.00 O ATOM 966 CB ARG A 61 -12.648 5.418 5.395 1.00 0.00 C ATOM 967 CG ARG A 61 -12.677 6.753 4.655 1.00 0.00 C ATOM 968 CD ARG A 61 -11.945 7.855 5.416 1.00 0.00 C ATOM 969 NE ARG A 61 -12.574 8.077 6.706 1.00 0.00 N ATOM 970 CZ ARG A 61 -13.737 8.753 6.751 1.00 0.00 C ATOM 971 NH1 ARG A 61 -14.292 9.208 5.631 1.00 0.00 N ATOM 972 NH2 ARG A 61 -14.333 8.967 7.920 1.00 0.00 N ATOM 0 H ARG A 61 -12.958 4.829 2.584 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.351 3.413 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.114 5.529 6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.615 5.115 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.223 6.630 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.712 7.053 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.900 7.578 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.955 8.777 4.835 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.143 7.727 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.836 9.045 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.173 9.720 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.909 8.619 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.214 9.479 7.957 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.396 4.847 9.423 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.960 4.866 9.214 1.00 0.00 C ATOM 1024 C LYS A 66 -12.560 3.901 8.095 1.00 0.00 C ATOM 1025 O LYS A 66 -13.356 3.560 7.229 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.253 4.509 10.519 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.761 5.370 11.677 1.00 0.00 C ATOM 1028 CD LYS A 66 -11.961 5.160 12.964 1.00 0.00 C ATOM 1029 CE LYS A 66 -10.705 6.033 13.010 1.00 0.00 C ATOM 1030 NZ LYS A 66 -9.768 5.740 11.932 1.00 0.00 N ATOM 0 HA LYS A 66 -12.657 5.868 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.415 3.456 10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.178 4.648 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.713 6.421 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.810 5.138 11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.592 5.387 13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.676 4.111 13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.996 7.082 12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.205 5.890 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.811 6.030 12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.776 4.719 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.049 6.261 11.077 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.272 3.511 8.163 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.700 2.795 7.034 1.00 0.00 C ATOM 1046 C TYR A 67 -10.988 1.294 7.125 1.00 0.00 C ATOM 1047 O TYR A 67 -11.242 0.749 8.191 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.189 3.020 6.998 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.851 4.478 6.889 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.929 5.150 5.617 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.445 5.216 8.057 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.605 6.548 5.513 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.120 6.614 7.957 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.200 7.279 6.683 1.00 0.00 C ATOM 1055 OH TYR A 67 -7.890 8.620 6.586 1.00 0.00 O ATOM 0 H TYR A 67 -10.644 3.674 8.950 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.158 3.178 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.737 2.608 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.760 2.482 6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.232 4.602 4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.384 4.717 9.013 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.666 7.048 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.817 7.163 8.836 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.637 8.962 7.469 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.919 0.673 5.930 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.099 -0.766 5.866 1.00 0.00 C ATOM 1067 C PHE A 68 -10.853 -1.245 4.431 1.00 0.00 C ATOM 1068 O PHE A 68 -10.998 -0.495 3.472 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.514 -1.137 6.313 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.548 -0.595 5.372 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.955 0.785 5.455 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.140 -1.449 4.376 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.946 1.306 4.551 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.131 -0.933 3.470 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.534 0.446 3.558 1.00 0.00 C ATOM 0 H PHE A 68 -10.746 1.135 5.037 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.387 -1.251 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.606 -2.222 6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.694 -0.748 7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.514 1.431 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.838 -2.484 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.248 2.341 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.572 -1.579 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.278 0.835 2.879 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.472 -2.533 4.345 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.278 -3.073 3.011 1.00 0.00 C ATOM 1087 C LEU A 69 -11.575 -3.720 2.516 1.00 0.00 C ATOM 1088 O LEU A 69 -11.989 -3.542 1.377 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.148 -4.105 2.991 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.826 -3.538 3.505 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.713 -3.742 5.012 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.640 -4.193 2.797 1.00 0.00 C ATOM 0 H LEU A 69 -10.306 -3.169 5.125 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.003 -2.251 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.433 -4.962 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.012 -4.469 1.973 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.808 -2.470 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.766 -3.333 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.537 -3.232 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.755 -4.807 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.710 -3.773 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.655 -5.267 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.708 -4.007 1.725 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.181 -4.481 3.446 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.385 -5.193 3.060 1.00 0.00 C ATOM 1106 C TRP A 70 -14.445 -5.087 4.159 1.00 0.00 C ATOM 1107 O TRP A 70 -15.624 -4.883 3.900 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.055 -6.667 2.819 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.054 -6.791 1.696 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -12.075 -6.081 0.489 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -10.903 -7.657 1.649 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -11.024 -6.450 -0.288 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.261 -7.413 0.361 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -10.357 -8.599 2.552 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -9.087 -8.120 0.006 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -9.160 -9.322 2.196 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -8.525 -9.082 0.922 1.00 0.00 C ATOM 0 H TRP A 70 -11.872 -4.608 4.410 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.775 -4.746 2.146 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.652 -7.112 3.729 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -13.963 -7.216 2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.819 -5.347 0.216 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.824 -6.074 -1.215 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.834 -8.776 3.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.614 -7.940 -0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.739 -10.042 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.629 -9.623 0.655 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.947 -5.257 5.397 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.886 -5.307 6.502 1.00 0.00 C ATOM 1130 C VAL A 71 -14.333 -4.540 7.705 1.00 0.00 C ATOM 1131 O VAL A 71 -14.642 -3.376 7.929 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.148 -6.768 6.875 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.024 -6.872 8.125 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.780 -7.521 5.704 1.00 0.00 C ATOM 0 H VAL A 71 -12.961 -5.355 5.638 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.823 -4.838 6.202 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.188 -7.232 7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.193 -7.922 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.524 -6.384 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.981 -6.384 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.958 -8.557 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.727 -7.051 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.107 -7.492 4.847 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.516 -5.285 8.470 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.022 -4.724 9.711 1.00 0.00 C ATOM 1146 C VAL A 72 -12.458 -3.322 9.467 1.00 0.00 C ATOM 1147 O VAL A 72 -11.670 -3.088 8.559 1.00 0.00 O ATOM 1148 CB VAL A 72 -11.957 -5.649 10.294 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -12.535 -7.048 10.508 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -10.727 -5.701 9.386 1.00 0.00 C ATOM 0 H VAL A 72 -13.203 -6.232 8.254 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.840 -4.637 10.426 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.643 -5.253 11.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.767 -7.699 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.376 -6.992 11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.875 -7.451 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.981 -6.366 9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.016 -6.073 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.306 -4.700 9.286 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.929 -2.414 10.340 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.504 -1.035 10.194 1.00 0.00 C ATOM 1162 C LYS A 73 -11.414 -0.711 11.212 1.00 0.00 C ATOM 1163 O LYS A 73 -11.360 -1.258 12.307 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.703 -0.102 10.356 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.683 -0.293 9.204 1.00 0.00 C ATOM 1166 CD LYS A 73 -16.020 0.406 9.442 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.992 0.158 8.287 1.00 0.00 C ATOM 1168 NZ LYS A 73 -17.351 -1.250 8.160 1.00 0.00 N ATOM 0 H LYS A 73 -13.569 -2.606 11.111 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.089 -0.889 9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.202 -0.302 11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.365 0.934 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.237 0.090 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.857 -1.359 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.459 0.047 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.857 1.477 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.895 0.749 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.542 0.502 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.166 -1.344 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.545 -1.780 7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.598 -1.631 9.096 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.537 0.198 10.750 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.360 0.485 11.558 1.00 0.00 C ATOM 1184 C PHE A 74 -9.386 1.947 12.002 1.00 0.00 C ATOM 1185 O PHE A 74 -9.906 2.824 11.319 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.034 0.232 10.813 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.052 -0.941 9.872 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.032 -2.290 10.375 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.095 -0.711 8.452 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.056 -3.404 9.463 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.119 -1.820 7.538 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.099 -3.167 8.043 1.00 0.00 C ATOM 0 H PHE A 74 -10.618 0.714 9.874 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.400 -0.194 12.410 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.774 1.128 10.249 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.244 0.078 11.548 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.999 -2.467 11.440 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.109 0.300 8.071 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.042 -4.415 9.843 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.152 -1.642 6.473 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.116 -4.001 7.357 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.775 2.136 13.184 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.626 3.493 13.688 1.00 0.00 C ATOM 1204 C ASN A 75 -7.514 4.274 12.950 1.00 0.00 C ATOM 1205 O ASN A 75 -7.478 5.498 12.987 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.314 3.446 15.184 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.984 2.725 15.414 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.550 1.901 14.618 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -6.370 3.103 16.549 1.00 0.00 N ATOM 0 H ASN A 75 -8.395 1.399 13.778 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.565 4.017 13.511 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.264 4.458 15.586 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.114 2.931 15.716 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.470 2.695 16.803 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.804 3.798 17.156 1.00 0.00 H new ATOM 1216 N SER A 76 -6.615 3.515 12.288 1.00 0.00 N ATOM 1217 CA SER A 76 -5.542 4.175 11.570 1.00 0.00 C ATOM 1218 C SER A 76 -4.848 3.164 10.654 1.00 0.00 C ATOM 1219 O SER A 76 -4.857 1.963 10.895 1.00 0.00 O ATOM 1220 CB SER A 76 -4.540 4.764 12.562 1.00 0.00 C ATOM 1221 OG SER A 76 -3.974 3.752 13.355 1.00 0.00 O ATOM 0 H SER A 76 -6.619 2.496 12.244 1.00 0.00 H new ATOM 0 HA SER A 76 -5.951 4.984 10.965 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.754 5.293 12.022 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.038 5.496 13.198 1.00 0.00 H new ATOM 0 HG SER A 76 -3.334 4.148 13.983 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.255 3.731 9.587 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.556 2.858 8.661 1.00 0.00 C ATOM 1229 C LEU A 77 -2.653 1.890 9.432 1.00 0.00 C ATOM 1230 O LEU A 77 -2.591 0.700 9.147 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.715 3.691 7.693 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.569 4.660 6.877 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.687 5.531 5.983 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.599 3.899 6.042 1.00 0.00 C ATOM 0 H LEU A 77 -4.249 4.726 9.363 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.290 2.285 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.967 4.252 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.176 3.027 7.018 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.104 5.311 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.313 6.215 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.996 6.104 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.122 4.896 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.197 4.607 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.085 3.221 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.250 3.325 6.702 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.965 2.482 10.424 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.077 1.666 11.232 1.00 0.00 C ATOM 1248 C ASN A 78 -1.805 0.413 11.733 1.00 0.00 C ATOM 1249 O ASN A 78 -1.250 -0.678 11.769 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.582 2.481 12.423 1.00 0.00 C ATOM 1251 CG ASN A 78 0.154 3.731 11.934 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.310 3.684 11.531 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.596 4.845 12.007 1.00 0.00 N ATOM 0 H ASN A 78 -2.008 3.471 10.669 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.230 1.356 10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.424 2.768 13.053 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.083 1.875 13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.208 5.741 11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.553 4.794 12.356 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.075 0.641 12.116 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.857 -0.488 12.592 1.00 0.00 C ATOM 1262 C GLU A 79 -4.206 -1.468 11.453 1.00 0.00 C ATOM 1263 O GLU A 79 -4.443 -2.645 11.691 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.126 0.033 13.263 1.00 0.00 C ATOM 1265 CG GLU A 79 -6.032 -1.106 13.731 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.289 -1.979 14.745 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -4.482 -1.441 15.501 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -5.522 -3.186 14.761 1.00 0.00 O ATOM 0 H GLU A 79 -3.550 1.544 12.104 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.259 -1.044 13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.856 0.656 14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.672 0.667 12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.938 -0.700 14.182 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.343 -1.709 12.878 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.209 -0.931 10.215 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.402 -1.824 9.088 1.00 0.00 C ATOM 1277 C LEU A 80 -3.159 -2.701 8.951 1.00 0.00 C ATOM 1278 O LEU A 80 -3.215 -3.924 9.015 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.635 -1.001 7.819 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.046 -1.856 6.615 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.700 -0.979 5.547 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.866 -2.621 6.012 1.00 0.00 C ATOM 0 H LEU A 80 -4.087 0.057 9.991 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.274 -2.459 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.410 -0.259 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.724 -0.455 7.575 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.762 -2.595 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.988 -1.596 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.585 -0.498 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.993 -0.217 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.211 -3.211 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.106 -1.914 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.439 -3.284 6.765 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.037 -1.982 8.777 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.760 -2.678 8.755 1.00 0.00 C ATOM 1296 C VAL A 81 -0.604 -3.655 9.943 1.00 0.00 C ATOM 1297 O VAL A 81 0.215 -4.564 9.900 1.00 0.00 O ATOM 1298 CB VAL A 81 0.362 -1.642 8.784 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.736 -2.312 8.837 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.264 -0.711 7.577 1.00 0.00 C ATOM 0 H VAL A 81 -1.994 -0.970 8.656 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.712 -3.274 7.844 1.00 0.00 H new ATOM 0 HB VAL A 81 0.245 -1.049 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.513 -1.548 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.807 -2.925 9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.868 -2.941 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.072 0.020 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.346 -1.294 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.695 -0.193 7.594 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.427 -3.430 10.989 1.00 0.00 N ATOM 1311 CA ASP A 82 -1.432 -4.362 12.102 1.00 0.00 C ATOM 1312 C ASP A 82 -2.466 -5.473 11.867 1.00 0.00 C ATOM 1313 O ASP A 82 -2.239 -6.630 12.196 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.745 -3.610 13.396 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.686 -2.533 13.640 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.378 -2.607 13.026 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.939 -1.630 14.436 1.00 0.00 O ATOM 0 H ASP A 82 -2.067 -2.640 11.074 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.448 -4.824 12.185 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.733 -3.154 13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.769 -4.306 14.235 1.00 0.00 H new ATOM 1322 N TYR A 83 -3.600 -5.064 11.265 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.567 -6.090 10.916 1.00 0.00 C ATOM 1324 C TYR A 83 -3.846 -7.205 10.156 1.00 0.00 C ATOM 1325 O TYR A 83 -3.925 -8.382 10.485 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.678 -5.492 10.052 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.683 -6.535 9.658 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -7.013 -7.606 10.562 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -7.324 -6.471 8.370 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.976 -8.606 10.183 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -8.288 -7.469 7.987 1.00 0.00 C ATOM 1332 CZ TYR A 83 -8.614 -8.537 8.895 1.00 0.00 C ATOM 1333 OH TYR A 83 -9.538 -9.494 8.531 1.00 0.00 O ATOM 0 H TYR A 83 -3.847 -4.103 11.029 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.019 -6.496 11.821 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.176 -4.692 10.599 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.245 -5.045 9.157 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.535 -7.659 11.529 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.080 -5.670 7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.220 -9.408 10.865 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.766 -7.416 7.020 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.874 -9.299 7.631 1.00 0.00 H new ATOM 1343 N HIS A 84 -3.104 -6.725 9.142 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.162 -7.604 8.480 1.00 0.00 C ATOM 1345 C HIS A 84 -1.121 -8.055 9.512 1.00 0.00 C ATOM 1346 O HIS A 84 -1.029 -9.230 9.842 1.00 0.00 O ATOM 1347 CB HIS A 84 -1.529 -6.860 7.296 1.00 0.00 C ATOM 1348 CG HIS A 84 -2.605 -6.506 6.296 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -2.476 -5.542 5.358 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -3.872 -7.095 6.158 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -3.633 -5.547 4.671 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -4.494 -6.472 5.131 1.00 0.00 N ATOM 0 H HIS A 84 -3.143 -5.771 8.784 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.653 -8.492 8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.029 -5.956 7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.769 -7.483 6.825 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.275 -7.896 6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.846 -4.884 3.845 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.430 -6.665 4.776 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.368 -7.038 9.989 1.00 0.00 N ATOM 1361 CA ARG A 85 0.769 -7.280 10.869 1.00 0.00 C ATOM 1362 C ARG A 85 1.861 -7.996 10.072 1.00 0.00 C ATOM 1363 O ARG A 85 2.917 -7.453 9.775 1.00 0.00 O ATOM 1364 CB ARG A 85 0.360 -8.084 12.104 1.00 0.00 C ATOM 1365 CG ARG A 85 1.568 -8.466 12.960 1.00 0.00 C ATOM 1366 CD ARG A 85 2.274 -7.237 13.536 1.00 0.00 C ATOM 1367 NE ARG A 85 3.403 -7.645 14.348 1.00 0.00 N ATOM 1368 CZ ARG A 85 4.488 -8.161 13.738 1.00 0.00 C ATOM 1369 NH1 ARG A 85 4.516 -8.287 12.414 1.00 0.00 N ATOM 1370 NH2 ARG A 85 5.536 -8.545 14.463 1.00 0.00 N ATOM 0 H ARG A 85 -0.535 -6.055 9.775 1.00 0.00 H new ATOM 0 HA ARG A 85 1.153 -6.327 11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.339 -7.500 12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.164 -8.987 11.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.245 -9.113 13.775 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.272 -9.040 12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.613 -6.590 12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.575 -6.655 14.137 1.00 0.00 H new ATOM 0 HE ARG A 85 3.377 -7.543 15.363 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.714 -7.992 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.339 -8.678 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.517 -8.448 15.478 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.358 -8.936 14.003 1.00 0.00 H new ATOM 1384 N SER A 86 1.479 -9.223 9.686 1.00 0.00 N ATOM 1385 CA SER A 86 2.135 -9.796 8.535 1.00 0.00 C ATOM 1386 C SER A 86 1.293 -9.355 7.333 1.00 0.00 C ATOM 1387 O SER A 86 1.229 -8.170 7.033 1.00 0.00 O ATOM 1388 CB SER A 86 2.207 -11.320 8.673 1.00 0.00 C ATOM 1389 OG SER A 86 2.832 -11.890 7.552 1.00 0.00 O ATOM 0 H SER A 86 0.763 -9.797 10.131 1.00 0.00 H new ATOM 0 HA SER A 86 3.167 -9.462 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.758 -11.583 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.202 -11.728 8.782 1.00 0.00 H new ATOM 0 HG SER A 86 2.871 -12.863 7.659 1.00 0.00 H new ATOM 1395 N THR A 87 0.646 -10.341 6.684 1.00 0.00 N ATOM 1396 CA THR A 87 -0.347 -9.964 5.696 1.00 0.00 C ATOM 1397 C THR A 87 -1.144 -11.187 5.235 1.00 0.00 C ATOM 1398 O THR A 87 -1.616 -11.982 6.037 1.00 0.00 O ATOM 1399 CB THR A 87 0.298 -9.167 4.560 1.00 0.00 C ATOM 1400 OG1 THR A 87 -0.685 -8.805 3.625 1.00 0.00 O ATOM 1401 CG2 THR A 87 1.403 -9.947 3.860 1.00 0.00 C ATOM 0 H THR A 87 0.788 -11.342 6.821 1.00 0.00 H new ATOM 0 HA THR A 87 -1.077 -9.293 6.148 1.00 0.00 H new ATOM 0 HB THR A 87 0.752 -8.279 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.569 -8.854 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.829 -9.338 3.062 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.182 -10.199 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.990 -10.863 3.437 1.00 0.00 H new ATOM 1409 N SER A 88 -1.286 -11.252 3.898 1.00 0.00 N ATOM 1410 CA SER A 88 -2.209 -12.186 3.286 1.00 0.00 C ATOM 1411 C SER A 88 -2.834 -11.500 2.071 1.00 0.00 C ATOM 1412 O SER A 88 -2.735 -11.966 0.943 1.00 0.00 O ATOM 1413 CB SER A 88 -3.308 -12.579 4.277 1.00 0.00 C ATOM 1414 OG SER A 88 -2.904 -13.653 5.089 1.00 0.00 O ATOM 0 H SER A 88 -0.772 -10.668 3.238 1.00 0.00 H new ATOM 0 HA SER A 88 -1.680 -13.091 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.560 -11.722 4.902 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.211 -12.852 3.732 1.00 0.00 H new ATOM 0 HG SER A 88 -2.679 -13.321 5.983 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.488 -10.366 2.394 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.140 -9.541 1.379 1.00 0.00 C ATOM 1422 C VAL A 89 -5.092 -10.336 0.455 1.00 0.00 C ATOM 1423 O VAL A 89 -5.620 -9.795 -0.509 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.094 -8.790 0.534 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.802 -8.530 1.317 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -2.797 -9.503 -0.790 1.00 0.00 C ATOM 0 H VAL A 89 -3.574 -10.009 3.346 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.756 -8.827 1.925 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.535 -7.823 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.093 -7.998 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.025 -7.927 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.368 -9.480 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.054 -8.935 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.413 -10.502 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.713 -9.579 -1.376 1.00 0.00 H new ATOM 1436 N SER A 90 -5.256 -11.636 0.763 1.00 0.00 N ATOM 1437 CA SER A 90 -5.837 -12.497 -0.249 1.00 0.00 C ATOM 1438 C SER A 90 -6.426 -13.788 0.353 1.00 0.00 C ATOM 1439 O SER A 90 -7.333 -14.387 -0.212 1.00 0.00 O ATOM 1440 CB SER A 90 -4.737 -12.838 -1.258 1.00 0.00 C ATOM 1441 OG SER A 90 -5.266 -13.525 -2.364 1.00 0.00 O ATOM 0 H SER A 90 -5.009 -12.079 1.648 1.00 0.00 H new ATOM 0 HA SER A 90 -6.663 -11.974 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.249 -11.923 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.973 -13.449 -0.777 1.00 0.00 H new ATOM 0 HG SER A 90 -4.546 -13.731 -2.996 1.00 0.00 H new ATOM 1502 N GLN A 94 -0.059 -15.972 0.935 1.00 0.00 N ATOM 1503 CA GLN A 94 0.422 -15.090 1.974 1.00 0.00 C ATOM 1504 C GLN A 94 1.499 -14.162 1.410 1.00 0.00 C ATOM 1505 O GLN A 94 2.526 -14.594 0.902 1.00 0.00 O ATOM 1506 CB GLN A 94 0.969 -15.912 3.137 1.00 0.00 C ATOM 1507 CG GLN A 94 -0.039 -16.920 3.691 1.00 0.00 C ATOM 1508 CD GLN A 94 -1.206 -16.188 4.358 1.00 0.00 C ATOM 1509 OE1 GLN A 94 -2.366 -16.553 4.214 1.00 0.00 O ATOM 1510 NE2 GLN A 94 -0.813 -15.131 5.091 1.00 0.00 N ATOM 0 HA GLN A 94 -0.402 -14.478 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.862 -16.444 2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.276 -15.238 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.410 -17.554 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.449 -17.575 4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.177 -14.896 5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.505 -14.564 5.580 1.00 0.00 H new ATOM 1519 N ILE A 95 1.180 -12.861 1.529 1.00 0.00 N ATOM 1520 CA ILE A 95 2.090 -11.873 0.975 1.00 0.00 C ATOM 1521 C ILE A 95 3.087 -11.449 2.061 1.00 0.00 C ATOM 1522 O ILE A 95 3.318 -12.157 3.033 1.00 0.00 O ATOM 1523 CB ILE A 95 1.306 -10.644 0.486 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.148 -10.952 0.139 1.00 0.00 C ATOM 1525 CG2 ILE A 95 1.967 -9.971 -0.715 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -0.290 -11.878 -1.070 1.00 0.00 C ATOM 0 H ILE A 95 0.343 -12.493 1.981 1.00 0.00 H new ATOM 0 HA ILE A 95 2.623 -12.307 0.129 1.00 0.00 H new ATOM 0 HB ILE A 95 1.318 -9.960 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.632 -11.412 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.674 -10.018 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.374 -9.109 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.970 -9.643 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.029 -10.680 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.347 -12.060 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.166 -11.410 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.209 -12.825 -0.864 1.00 0.00 H new ATOM 1538 N PHE A 96 3.629 -10.237 1.845 1.00 0.00 N ATOM 1539 CA PHE A 96 4.430 -9.632 2.893 1.00 0.00 C ATOM 1540 C PHE A 96 4.314 -8.106 2.802 1.00 0.00 C ATOM 1541 O PHE A 96 4.214 -7.533 1.725 1.00 0.00 O ATOM 1542 CB PHE A 96 5.889 -10.068 2.757 1.00 0.00 C ATOM 1543 CG PHE A 96 6.026 -11.558 2.863 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.193 -12.182 4.151 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.991 -12.377 1.678 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.325 -13.611 4.254 1.00 0.00 C ATOM 1547 CE2 PHE A 96 6.124 -13.806 1.778 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.290 -14.423 3.067 1.00 0.00 C ATOM 0 H PHE A 96 3.528 -9.688 0.991 1.00 0.00 H new ATOM 0 HA PHE A 96 4.065 -9.960 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.283 -9.732 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.487 -9.590 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.219 -11.574 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.864 -11.916 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.450 -14.074 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.099 -14.415 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.388 -15.496 3.144 1.00 0.00 H new ATOM 1558 N LEU A 97 4.337 -7.485 3.996 1.00 0.00 N ATOM 1559 CA LEU A 97 4.383 -6.033 3.993 1.00 0.00 C ATOM 1560 C LEU A 97 5.719 -5.568 4.574 1.00 0.00 C ATOM 1561 O LEU A 97 5.814 -5.134 5.716 1.00 0.00 O ATOM 1562 CB LEU A 97 3.233 -5.437 4.811 1.00 0.00 C ATOM 1563 CG LEU A 97 1.860 -5.673 4.177 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.753 -5.083 5.056 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.791 -5.074 2.770 1.00 0.00 C ATOM 0 H LEU A 97 4.325 -7.937 4.910 1.00 0.00 H new ATOM 0 HA LEU A 97 4.280 -5.689 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.244 -5.870 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.394 -4.365 4.926 1.00 0.00 H new ATOM 0 HG LEU A 97 1.710 -6.750 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.216 -5.260 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.775 -5.558 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.911 -4.010 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.804 -5.257 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.970 -4.000 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.550 -5.538 2.140 1.00 0.00 H new ATOM 1577 N ARG A 98 6.736 -5.673 3.700 1.00 0.00 N ATOM 1578 CA ARG A 98 8.043 -5.191 4.101 1.00 0.00 C ATOM 1579 C ARG A 98 8.845 -4.817 2.839 1.00 0.00 C ATOM 1580 O ARG A 98 8.411 -4.007 2.028 1.00 0.00 O ATOM 1581 CB ARG A 98 8.742 -6.251 4.964 1.00 0.00 C ATOM 1582 CG ARG A 98 7.957 -6.591 6.234 1.00 0.00 C ATOM 1583 CD ARG A 98 8.729 -7.558 7.133 1.00 0.00 C ATOM 1584 NE ARG A 98 9.991 -6.965 7.534 1.00 0.00 N ATOM 1585 CZ ARG A 98 10.611 -7.442 8.631 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.069 -8.437 9.329 1.00 0.00 N ATOM 1587 NH2 ARG A 98 11.769 -6.916 9.018 1.00 0.00 N ATOM 0 H ARG A 98 6.674 -6.068 2.762 1.00 0.00 H new ATOM 0 HA ARG A 98 7.958 -4.294 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.883 -7.158 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.734 -5.893 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.741 -5.675 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.998 -7.033 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.135 -7.800 8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.910 -8.494 6.604 1.00 0.00 H new ATOM 0 HE ARG A 98 10.401 -6.202 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.180 -8.842 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.542 -8.795 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.186 -6.153 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.240 -7.275 9.848 1.00 0.00 H new ATOM 1601 N ASP A 99 10.023 -5.463 2.725 1.00 0.00 N ATOM 1602 CA ASP A 99 10.841 -5.291 1.541 1.00 0.00 C ATOM 1603 C ASP A 99 10.811 -3.827 1.063 1.00 0.00 C ATOM 1604 O ASP A 99 11.271 -2.925 1.751 1.00 0.00 O ATOM 1605 CB ASP A 99 10.387 -6.283 0.465 1.00 0.00 C ATOM 1606 CG ASP A 99 11.291 -6.167 -0.765 1.00 0.00 C ATOM 1607 OD1 ASP A 99 12.402 -5.655 -0.630 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.873 -6.586 -1.843 1.00 0.00 O ATOM 0 H ASP A 99 10.410 -6.092 3.429 1.00 0.00 H new ATOM 0 HA ASP A 99 11.883 -5.509 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.421 -7.299 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.352 -6.083 0.187 1.00 0.00 H new ATOM 1613 N ILE A 100 10.276 -3.656 -0.163 1.00 0.00 N ATOM 1614 CA ILE A 100 10.348 -2.363 -0.815 1.00 0.00 C ATOM 1615 C ILE A 100 11.704 -1.703 -0.524 1.00 0.00 C ATOM 1616 O ILE A 100 12.717 -2.370 -0.359 1.00 0.00 O ATOM 1617 CB ILE A 100 9.115 -1.522 -0.462 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.832 -0.491 -1.556 1.00 0.00 C ATOM 1619 CG2 ILE A 100 9.191 -0.882 0.925 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.605 0.362 -1.254 1.00 0.00 C ATOM 0 H ILE A 100 9.804 -4.385 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 100 10.312 -2.471 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 100 8.270 -2.209 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.701 0.157 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.688 -1.005 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.286 -0.302 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.282 -1.662 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.059 -0.225 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.451 1.076 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.729 -0.280 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.757 0.900 -0.319 1.00 0.00 H new ATOM 1632 N GLU A 101 11.661 -0.363 -0.483 1.00 0.00 N ATOM 1633 CA GLU A 101 12.884 0.380 -0.279 1.00 0.00 C ATOM 1634 C GLU A 101 13.120 0.597 1.218 1.00 0.00 C ATOM 1635 O GLU A 101 12.312 1.190 1.922 1.00 0.00 O ATOM 1636 CB GLU A 101 12.740 1.722 -0.987 1.00 0.00 C ATOM 1637 CG GLU A 101 12.717 1.560 -2.507 1.00 0.00 C ATOM 1638 CD GLU A 101 14.043 0.965 -2.986 1.00 0.00 C ATOM 1639 OE1 GLU A 101 15.091 1.451 -2.562 1.00 0.00 O ATOM 1640 OE2 GLU A 101 14.013 0.021 -3.773 1.00 0.00 O ATOM 0 H GLU A 101 10.817 0.200 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 101 13.735 -0.170 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.822 2.210 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.566 2.374 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.891 0.913 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.549 2.526 -2.982 1.00 0.00 H new