USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 701 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 71 CYS SG : rot 169:sc= -1.82 USER MOD Set 1.2: A 116 SER OG : rot -168:sc= -0.514 USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.02) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.69) USER MOD Single : A 38 MET CE :methyl -127:sc= -0.515 (180deg=-3.06!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.713 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.022 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 40:sc= 0.447 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00677 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.0175 (180deg=-0.206) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -5.16! C(o=-5.2!,f=-6.8!) USER MOD Single : A 89 THR OG1 : rot -118:sc= 0.47 USER MOD Single : A 90 THR OG1 : rot -53:sc= 1.57 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 69:sc= 0.519 USER MOD Single : A 95 CYS SG : rot -14:sc= -1.32 USER MOD Single : A 98 GLN : amide:sc= -0.475 K(o=-0.48,f=-4.2!) USER MOD Single : A 105 MET CE :methyl -179:sc= -2.82! (180deg=-2.96!) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= -0.0998 (180deg=-0.557) USER MOD Single : A 111 THR OG1 : rot 81:sc= 0.609 USER MOD Single : A 113 GLN : amide:sc= -0.744 K(o=-0.74,f=-1.6!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -4.791 -12.882 -5.320 1.00 0.00 N ATOM 79 CA ALA A 9 -4.575 -11.529 -4.822 1.00 0.00 C ATOM 80 C ALA A 9 -5.848 -10.696 -4.927 1.00 0.00 C ATOM 81 O ALA A 9 -6.467 -10.621 -5.988 1.00 0.00 O ATOM 82 CB ALA A 9 -3.440 -10.861 -5.584 1.00 0.00 C ATOM 0 HA ALA A 9 -4.301 -11.595 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.290 -9.851 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.525 -11.438 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.691 -10.814 -6.644 1.00 0.00 H new ATOM 88 N ALA A 10 -6.234 -10.071 -3.819 1.00 0.00 N ATOM 89 CA ALA A 10 -7.433 -9.243 -3.787 1.00 0.00 C ATOM 90 C ALA A 10 -7.361 -8.133 -4.831 1.00 0.00 C ATOM 91 O ALA A 10 -8.314 -7.904 -5.575 1.00 0.00 O ATOM 92 CB ALA A 10 -7.630 -8.652 -2.399 1.00 0.00 C ATOM 0 H ALA A 10 -5.733 -10.123 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.288 -9.876 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.529 -8.036 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.735 -9.457 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.767 -8.039 -2.139 1.00 0.00 H new ATOM 98 N LYS A 11 -6.225 -7.446 -4.879 1.00 0.00 N ATOM 99 CA LYS A 11 -6.027 -6.359 -5.832 1.00 0.00 C ATOM 100 C LYS A 11 -4.554 -6.224 -6.204 1.00 0.00 C ATOM 101 O LYS A 11 -3.682 -6.774 -5.533 1.00 0.00 O ATOM 102 CB LYS A 11 -6.540 -5.041 -5.247 1.00 0.00 C ATOM 103 CG LYS A 11 -6.523 -3.890 -6.237 1.00 0.00 C ATOM 104 CD LYS A 11 -7.607 -2.871 -5.926 1.00 0.00 C ATOM 105 CE LYS A 11 -7.429 -1.601 -6.744 1.00 0.00 C ATOM 106 NZ LYS A 11 -7.796 -1.805 -8.172 1.00 0.00 N ATOM 0 H LYS A 11 -5.427 -7.622 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.591 -6.592 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.559 -5.185 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.931 -4.775 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.548 -3.404 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.663 -4.275 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.585 -3.304 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.585 -2.627 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.045 -0.807 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.393 -1.270 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.661 -0.917 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.192 -2.545 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.792 -2.097 -8.236 1.00 0.00 H new ATOM 120 N GLU A 12 -4.285 -5.486 -7.276 1.00 0.00 N ATOM 121 CA GLU A 12 -2.917 -5.278 -7.736 1.00 0.00 C ATOM 122 C GLU A 12 -2.828 -4.056 -8.645 1.00 0.00 C ATOM 123 O GLU A 12 -3.748 -3.770 -9.411 1.00 0.00 O ATOM 124 CB GLU A 12 -2.410 -6.517 -8.477 1.00 0.00 C ATOM 125 CG GLU A 12 -3.190 -6.829 -9.743 1.00 0.00 C ATOM 126 CD GLU A 12 -3.006 -8.263 -10.203 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.708 -9.125 -9.350 1.00 0.00 O ATOM 128 OE2 GLU A 12 -3.158 -8.522 -11.415 1.00 0.00 O ATOM 0 H GLU A 12 -4.996 -5.022 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.290 -5.105 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.360 -6.373 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.460 -7.376 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.249 -6.640 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.872 -6.153 -10.537 1.00 0.00 H new ATOM 135 N GLY A 13 -1.713 -3.337 -8.555 1.00 0.00 N ATOM 136 CA GLY A 13 -1.524 -2.154 -9.373 1.00 0.00 C ATOM 137 C GLY A 13 -0.315 -1.343 -8.950 1.00 0.00 C ATOM 138 O GLY A 13 0.143 -1.447 -7.812 1.00 0.00 O ATOM 0 H GLY A 13 -0.937 -3.553 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.411 -2.451 -10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.415 -1.529 -9.314 1.00 0.00 H new ATOM 142 N TRP A 14 0.203 -0.534 -9.867 1.00 0.00 N ATOM 143 CA TRP A 14 1.367 0.297 -9.583 1.00 0.00 C ATOM 144 C TRP A 14 0.984 1.494 -8.719 1.00 0.00 C ATOM 145 O TRP A 14 0.118 2.287 -9.089 1.00 0.00 O ATOM 146 CB TRP A 14 2.007 0.777 -10.887 1.00 0.00 C ATOM 147 CG TRP A 14 2.652 -0.324 -11.673 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.025 -1.229 -12.481 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.048 -0.637 -11.723 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.948 -2.086 -13.031 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.196 -1.743 -12.583 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.187 -0.089 -11.128 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.437 -2.310 -12.858 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.419 -0.654 -11.402 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.536 -1.754 -12.261 1.00 0.00 C ATOM 0 H TRP A 14 -0.165 -0.436 -10.813 1.00 0.00 H new ATOM 0 HA TRP A 14 2.089 -0.308 -9.033 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.245 1.255 -11.503 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.755 1.536 -10.658 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.961 -1.266 -12.661 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.738 -2.853 -13.669 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.107 0.761 -10.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.530 -3.159 -13.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.306 -0.240 -10.946 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.513 -2.172 -12.456 1.00 0.00 H new ATOM 166 N LEU A 15 1.634 1.619 -7.568 1.00 0.00 N ATOM 167 CA LEU A 15 1.361 2.720 -6.651 1.00 0.00 C ATOM 168 C LEU A 15 2.642 3.192 -5.971 1.00 0.00 C ATOM 169 O LEU A 15 3.564 2.407 -5.745 1.00 0.00 O ATOM 170 CB LEU A 15 0.339 2.291 -5.597 1.00 0.00 C ATOM 171 CG LEU A 15 -0.960 1.686 -6.129 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.721 0.988 -5.012 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.824 2.760 -6.774 1.00 0.00 C ATOM 0 H LEU A 15 2.354 0.972 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 15 0.951 3.548 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.811 1.564 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.089 3.159 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.709 0.945 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.643 0.564 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.105 0.191 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.961 1.708 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.745 2.311 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.066 3.524 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.281 3.215 -7.602 1.00 0.00 H new ATOM 185 N HIS A 16 2.693 4.480 -5.644 1.00 0.00 N ATOM 186 CA HIS A 16 3.860 5.057 -4.987 1.00 0.00 C ATOM 187 C HIS A 16 3.863 4.727 -3.497 1.00 0.00 C ATOM 188 O HIS A 16 3.031 5.224 -2.739 1.00 0.00 O ATOM 189 CB HIS A 16 3.886 6.573 -5.185 1.00 0.00 C ATOM 190 CG HIS A 16 4.071 6.987 -6.612 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.309 7.087 -7.213 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.166 7.326 -7.560 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.157 7.471 -8.468 1.00 0.00 C ATOM 194 NE2 HIS A 16 3.866 7.623 -8.704 1.00 0.00 N ATOM 0 H HIS A 16 1.939 5.143 -5.824 1.00 0.00 H new ATOM 0 HA HIS A 16 4.752 4.624 -5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.954 6.996 -4.810 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.692 6.996 -4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.093 7.357 -7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.953 7.633 -9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.456 7.914 -9.591 1.00 0.00 H new ATOM 203 N PHE A 17 4.805 3.884 -3.085 1.00 0.00 N ATOM 204 CA PHE A 17 4.915 3.486 -1.687 1.00 0.00 C ATOM 205 C PHE A 17 5.912 4.373 -0.946 1.00 0.00 C ATOM 206 O PHE A 17 7.102 4.381 -1.258 1.00 0.00 O ATOM 207 CB PHE A 17 5.344 2.021 -1.584 1.00 0.00 C ATOM 208 CG PHE A 17 5.724 1.604 -0.192 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.760 1.483 0.797 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.044 1.333 0.128 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.107 1.099 2.079 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.397 0.949 1.408 1.00 0.00 C ATOM 213 CZ PHE A 17 6.427 0.832 2.385 1.00 0.00 C ATOM 0 H PHE A 17 5.502 3.464 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 17 3.936 3.604 -1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.530 1.387 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.190 1.851 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.726 1.691 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.806 1.423 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.347 1.008 2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.430 0.741 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.700 0.532 3.386 1.00 0.00 H new ATOM 223 N ARG A 18 5.415 5.118 0.037 1.00 0.00 N ATOM 224 CA ARG A 18 6.261 6.009 0.821 1.00 0.00 C ATOM 225 C ARG A 18 5.965 5.868 2.311 1.00 0.00 C ATOM 226 O ARG A 18 5.040 6.478 2.846 1.00 0.00 O ATOM 227 CB ARG A 18 6.052 7.461 0.384 1.00 0.00 C ATOM 228 CG ARG A 18 7.048 8.431 0.998 1.00 0.00 C ATOM 229 CD ARG A 18 6.691 9.874 0.676 1.00 0.00 C ATOM 230 NE ARG A 18 5.812 10.458 1.686 1.00 0.00 N ATOM 231 CZ ARG A 18 6.229 10.855 2.882 1.00 0.00 C ATOM 232 NH1 ARG A 18 7.506 10.733 3.217 1.00 0.00 N ATOM 233 NH2 ARG A 18 5.368 11.377 3.747 1.00 0.00 N ATOM 0 H ARG A 18 4.432 5.122 0.309 1.00 0.00 H new ATOM 0 HA ARG A 18 7.300 5.730 0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.124 7.519 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.042 7.771 0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.072 8.294 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.049 8.211 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.603 10.466 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.204 9.918 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 18 4.823 10.567 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.171 10.333 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.823 11.039 4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.385 11.473 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.690 11.682 4.666 1.00 0.00 H new ATOM 247 N PRO A 19 6.769 5.042 2.998 1.00 0.00 N ATOM 248 CA PRO A 19 6.613 4.801 4.436 1.00 0.00 C ATOM 249 C PRO A 19 6.987 6.020 5.272 1.00 0.00 C ATOM 250 O PRO A 19 7.942 6.732 4.958 1.00 0.00 O ATOM 251 CB PRO A 19 7.581 3.647 4.709 1.00 0.00 C ATOM 252 CG PRO A 19 8.610 3.754 3.636 1.00 0.00 C ATOM 253 CD PRO A 19 7.892 4.282 2.425 1.00 0.00 C ATOM 0 HA PRO A 19 5.579 4.580 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.030 3.733 5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.070 2.685 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.417 4.424 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.061 2.783 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.539 4.917 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.544 3.475 1.781 1.00 0.00 H new ATOM 261 N LEU A 20 6.230 6.255 6.338 1.00 0.00 N ATOM 262 CA LEU A 20 6.482 7.388 7.221 1.00 0.00 C ATOM 263 C LEU A 20 7.717 7.143 8.082 1.00 0.00 C ATOM 264 O LEU A 20 8.617 7.981 8.149 1.00 0.00 O ATOM 265 CB LEU A 20 5.267 7.645 8.114 1.00 0.00 C ATOM 266 CG LEU A 20 4.148 8.486 7.498 1.00 0.00 C ATOM 267 CD1 LEU A 20 4.611 9.919 7.287 1.00 0.00 C ATOM 268 CD2 LEU A 20 3.683 7.875 6.184 1.00 0.00 C ATOM 0 H LEU A 20 5.436 5.676 6.612 1.00 0.00 H new ATOM 0 HA LEU A 20 6.662 8.266 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.850 6.683 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.608 8.140 9.024 1.00 0.00 H new ATOM 0 HG LEU A 20 3.305 8.496 8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.801 10.502 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.894 10.355 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.470 9.929 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.887 8.487 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.519 7.833 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.310 6.867 6.364 1.00 0.00 H new ATOM 280 N VAL A 21 7.755 5.988 8.739 1.00 0.00 N ATOM 281 CA VAL A 21 8.881 5.631 9.593 1.00 0.00 C ATOM 282 C VAL A 21 8.811 4.166 10.010 1.00 0.00 C ATOM 283 O VAL A 21 7.740 3.650 10.332 1.00 0.00 O ATOM 284 CB VAL A 21 8.928 6.511 10.856 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.921 6.023 11.886 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.333 6.529 11.440 1.00 0.00 C ATOM 0 H VAL A 21 7.019 5.284 8.696 1.00 0.00 H new ATOM 0 HA VAL A 21 9.787 5.797 9.009 1.00 0.00 H new ATOM 0 HB VAL A 21 8.661 7.530 10.577 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.969 6.657 12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.917 6.066 11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.154 4.995 12.163 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.348 7.155 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.630 5.514 11.704 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.028 6.930 10.703 1.00 0.00 H new ATOM 495 N TRP A 35 9.118 9.329 -2.671 1.00 0.00 N ATOM 496 CA TRP A 35 8.154 8.290 -3.013 1.00 0.00 C ATOM 497 C TRP A 35 8.819 7.169 -3.804 1.00 0.00 C ATOM 498 O TRP A 35 9.568 7.421 -4.747 1.00 0.00 O ATOM 499 CB TRP A 35 6.998 8.884 -3.820 1.00 0.00 C ATOM 500 CG TRP A 35 6.165 9.855 -3.039 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.424 11.181 -2.839 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.940 9.575 -2.353 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.434 11.742 -2.070 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.512 10.778 -1.759 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.163 8.426 -2.184 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.342 10.862 -1.009 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.002 8.511 -1.439 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.600 9.722 -0.860 1.00 0.00 C ATOM 0 HA TRP A 35 7.763 7.872 -2.085 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.399 9.386 -4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.361 8.075 -4.178 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.281 11.710 -3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.392 12.718 -1.778 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.464 7.488 -2.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.031 11.794 -0.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.394 7.629 -1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.687 9.756 -0.285 1.00 0.00 H new ATOM 519 N LYS A 36 8.540 5.930 -3.414 1.00 0.00 N ATOM 520 CA LYS A 36 9.110 4.769 -4.087 1.00 0.00 C ATOM 521 C LYS A 36 8.054 4.051 -4.922 1.00 0.00 C ATOM 522 O LYS A 36 7.221 3.319 -4.389 1.00 0.00 O ATOM 523 CB LYS A 36 9.708 3.802 -3.062 1.00 0.00 C ATOM 524 CG LYS A 36 10.845 4.400 -2.253 1.00 0.00 C ATOM 525 CD LYS A 36 11.416 3.396 -1.266 1.00 0.00 C ATOM 526 CE LYS A 36 12.799 3.809 -0.787 1.00 0.00 C ATOM 527 NZ LYS A 36 13.871 3.305 -1.688 1.00 0.00 N ATOM 0 H LYS A 36 7.922 5.704 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 36 9.899 5.118 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.922 3.475 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.070 2.914 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.633 4.738 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.487 5.278 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.746 3.304 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.471 2.414 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.854 4.896 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.963 3.428 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.798 3.608 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.835 2.266 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.730 3.689 -2.644 1.00 0.00 H new ATOM 541 N GLN A 37 8.097 4.266 -6.233 1.00 0.00 N ATOM 542 CA GLN A 37 7.144 3.639 -7.141 1.00 0.00 C ATOM 543 C GLN A 37 7.487 2.169 -7.361 1.00 0.00 C ATOM 544 O GLN A 37 8.472 1.844 -8.024 1.00 0.00 O ATOM 545 CB GLN A 37 7.124 4.376 -8.482 1.00 0.00 C ATOM 546 CG GLN A 37 5.962 3.978 -9.377 1.00 0.00 C ATOM 547 CD GLN A 37 5.691 4.995 -10.468 1.00 0.00 C ATOM 548 OE1 GLN A 37 6.589 5.723 -10.891 1.00 0.00 O ATOM 549 NE2 GLN A 37 4.447 5.051 -10.930 1.00 0.00 N ATOM 0 H GLN A 37 8.781 4.869 -6.690 1.00 0.00 H new ATOM 0 HA GLN A 37 6.155 3.698 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.078 5.449 -8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.059 4.183 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.174 3.010 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.066 3.855 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.734 4.429 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.205 5.716 -11.664 1.00 0.00 H new ATOM 558 N MET A 38 6.669 1.285 -6.798 1.00 0.00 N ATOM 559 CA MET A 38 6.887 -0.150 -6.934 1.00 0.00 C ATOM 560 C MET A 38 5.559 -0.901 -6.962 1.00 0.00 C ATOM 561 O MET A 38 4.653 -0.609 -6.180 1.00 0.00 O ATOM 562 CB MET A 38 7.754 -0.667 -5.784 1.00 0.00 C ATOM 563 CG MET A 38 7.286 -0.203 -4.414 1.00 0.00 C ATOM 564 SD MET A 38 8.598 -0.256 -3.178 1.00 0.00 S ATOM 565 CE MET A 38 9.069 -1.982 -3.258 1.00 0.00 C ATOM 0 H MET A 38 5.850 1.537 -6.244 1.00 0.00 H new ATOM 0 HA MET A 38 7.404 -0.326 -7.877 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.761 -1.757 -5.807 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.782 -0.338 -5.938 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.905 0.815 -4.490 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.457 -0.830 -4.086 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.038 -2.414 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.376 -2.518 -3.907 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.079 -2.065 -3.658 1.00 0.00 H new ATOM 575 N TYR A 39 5.450 -1.868 -7.866 1.00 0.00 N ATOM 576 CA TYR A 39 4.232 -2.658 -7.997 1.00 0.00 C ATOM 577 C TYR A 39 3.760 -3.162 -6.637 1.00 0.00 C ATOM 578 O TYR A 39 4.409 -4.003 -6.014 1.00 0.00 O ATOM 579 CB TYR A 39 4.465 -3.841 -8.939 1.00 0.00 C ATOM 580 CG TYR A 39 3.188 -4.469 -9.450 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.299 -3.744 -10.234 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.871 -5.788 -9.149 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.131 -4.314 -10.702 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.706 -6.367 -9.614 1.00 0.00 C ATOM 585 CZ TYR A 39 0.839 -5.625 -10.390 1.00 0.00 C ATOM 586 OH TYR A 39 -0.322 -6.197 -10.855 1.00 0.00 O ATOM 0 H TYR A 39 6.191 -2.124 -8.519 1.00 0.00 H new ATOM 0 HA TYR A 39 3.457 -2.016 -8.415 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.061 -3.506 -9.788 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.050 -4.599 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.525 -2.717 -10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.547 -6.371 -8.541 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.450 -3.736 -11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.475 -7.394 -9.372 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.376 -7.126 -10.546 1.00 0.00 H new ATOM 596 N VAL A 40 2.625 -2.641 -6.181 1.00 0.00 N ATOM 597 CA VAL A 40 2.064 -3.038 -4.895 1.00 0.00 C ATOM 598 C VAL A 40 0.937 -4.049 -5.076 1.00 0.00 C ATOM 599 O VAL A 40 -0.048 -3.781 -5.765 1.00 0.00 O ATOM 600 CB VAL A 40 1.527 -1.822 -4.118 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.829 -2.269 -2.843 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.656 -0.850 -3.805 1.00 0.00 C ATOM 0 H VAL A 40 2.076 -1.943 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 40 2.872 -3.497 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 40 0.797 -1.307 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.456 -1.396 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.005 -2.924 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.535 -2.808 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.259 0.004 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.411 -1.352 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.107 -0.505 -4.735 1.00 0.00 H new ATOM 612 N VAL A 41 1.088 -5.213 -4.452 1.00 0.00 N ATOM 613 CA VAL A 41 0.082 -6.265 -4.543 1.00 0.00 C ATOM 614 C VAL A 41 -0.599 -6.491 -3.198 1.00 0.00 C ATOM 615 O VAL A 41 0.054 -6.508 -2.154 1.00 0.00 O ATOM 616 CB VAL A 41 0.699 -7.592 -5.023 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.358 -8.685 -5.073 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.357 -7.412 -6.383 1.00 0.00 C ATOM 0 H VAL A 41 1.897 -5.451 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.658 -5.933 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 41 1.467 -7.895 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.096 -9.615 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.779 -8.830 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.150 -8.394 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.788 -8.359 -6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.611 -7.086 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.144 -6.662 -6.310 1.00 0.00 H new ATOM 628 N LEU A 42 -1.916 -6.664 -3.230 1.00 0.00 N ATOM 629 CA LEU A 42 -2.688 -6.890 -2.012 1.00 0.00 C ATOM 630 C LEU A 42 -3.224 -8.317 -1.965 1.00 0.00 C ATOM 631 O LEU A 42 -4.086 -8.694 -2.758 1.00 0.00 O ATOM 632 CB LEU A 42 -3.846 -5.895 -1.927 1.00 0.00 C ATOM 633 CG LEU A 42 -4.984 -6.269 -0.976 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.564 -6.051 0.469 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.234 -5.464 -1.298 1.00 0.00 C ATOM 0 H LEU A 42 -2.472 -6.652 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.026 -6.741 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.446 -4.928 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.262 -5.766 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.213 -7.326 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.386 -6.322 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.697 -6.672 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.308 -5.002 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.033 -5.743 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.019 -4.401 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.546 -5.671 -2.322 1.00 0.00 H new ATOM 647 N ARG A 43 -2.709 -9.106 -1.027 1.00 0.00 N ATOM 648 CA ARG A 43 -3.136 -10.492 -0.875 1.00 0.00 C ATOM 649 C ARG A 43 -3.699 -10.737 0.522 1.00 0.00 C ATOM 650 O ARG A 43 -2.950 -10.922 1.480 1.00 0.00 O ATOM 651 CB ARG A 43 -1.966 -11.441 -1.139 1.00 0.00 C ATOM 652 CG ARG A 43 -1.556 -11.511 -2.601 1.00 0.00 C ATOM 653 CD ARG A 43 -0.354 -12.421 -2.799 1.00 0.00 C ATOM 654 NE ARG A 43 -0.655 -13.808 -2.454 1.00 0.00 N ATOM 655 CZ ARG A 43 0.148 -14.827 -2.741 1.00 0.00 C ATOM 656 NH1 ARG A 43 1.294 -14.615 -3.374 1.00 0.00 N ATOM 657 NH2 ARG A 43 -0.195 -16.061 -2.394 1.00 0.00 N ATOM 0 H ARG A 43 -1.996 -8.809 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.923 -10.685 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.109 -11.122 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.236 -12.440 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.392 -11.876 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.320 -10.510 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.027 -12.369 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.474 -12.066 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.529 -14.005 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.561 -13.668 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.908 -15.399 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.075 -16.228 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.422 -16.843 -2.615 1.00 0.00 H new ATOM 671 N GLY A 44 -5.024 -10.735 0.630 1.00 0.00 N ATOM 672 CA GLY A 44 -5.665 -10.958 1.913 1.00 0.00 C ATOM 673 C GLY A 44 -5.451 -9.806 2.875 1.00 0.00 C ATOM 674 O GLY A 44 -6.167 -8.805 2.825 1.00 0.00 O ATOM 0 H GLY A 44 -5.665 -10.583 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.734 -11.107 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.276 -11.875 2.356 1.00 0.00 H new ATOM 678 N HIS A 45 -4.464 -9.947 3.754 1.00 0.00 N ATOM 679 CA HIS A 45 -4.159 -8.910 4.733 1.00 0.00 C ATOM 680 C HIS A 45 -2.696 -8.486 4.638 1.00 0.00 C ATOM 681 O HIS A 45 -2.185 -7.785 5.511 1.00 0.00 O ATOM 682 CB HIS A 45 -4.467 -9.406 6.146 1.00 0.00 C ATOM 683 CG HIS A 45 -4.186 -10.864 6.344 1.00 0.00 C ATOM 684 ND1 HIS A 45 -2.911 -11.389 6.355 1.00 0.00 N ATOM 685 CD2 HIS A 45 -5.024 -11.908 6.541 1.00 0.00 C ATOM 686 CE1 HIS A 45 -2.977 -12.695 6.548 1.00 0.00 C ATOM 687 NE2 HIS A 45 -4.248 -13.035 6.664 1.00 0.00 N ATOM 0 H HIS A 45 -3.862 -10.769 3.808 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.785 -8.045 4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.878 -8.831 6.860 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.516 -9.213 6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.102 -11.864 6.592 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.135 -13.369 6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.597 -13.981 6.820 1.00 0.00 H new ATOM 696 N SER A 46 -2.028 -8.918 3.573 1.00 0.00 N ATOM 697 CA SER A 46 -0.623 -8.588 3.366 1.00 0.00 C ATOM 698 C SER A 46 -0.426 -7.854 2.043 1.00 0.00 C ATOM 699 O SER A 46 -1.108 -8.136 1.056 1.00 0.00 O ATOM 700 CB SER A 46 0.230 -9.857 3.390 1.00 0.00 C ATOM 701 OG SER A 46 0.391 -10.339 4.713 1.00 0.00 O ATOM 0 H SER A 46 -2.437 -9.497 2.840 1.00 0.00 H new ATOM 0 HA SER A 46 -0.307 -7.931 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.238 -10.625 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.207 -9.650 2.954 1.00 0.00 H new ATOM 0 HG SER A 46 0.939 -11.152 4.701 1.00 0.00 H new ATOM 707 N LEU A 47 0.509 -6.911 2.030 1.00 0.00 N ATOM 708 CA LEU A 47 0.797 -6.136 0.828 1.00 0.00 C ATOM 709 C LEU A 47 2.211 -6.413 0.327 1.00 0.00 C ATOM 710 O LEU A 47 3.191 -5.983 0.936 1.00 0.00 O ATOM 711 CB LEU A 47 0.627 -4.642 1.108 1.00 0.00 C ATOM 712 CG LEU A 47 -0.787 -4.084 0.937 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.951 -2.796 1.729 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.093 -3.850 -0.535 1.00 0.00 C ATOM 0 H LEU A 47 1.081 -6.664 2.838 1.00 0.00 H new ATOM 0 HA LEU A 47 0.091 -6.437 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.953 -4.445 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.296 -4.090 0.448 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.496 -4.817 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.963 -2.413 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.774 -2.994 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.234 -2.056 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.103 -3.453 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.379 -3.136 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.017 -4.793 -1.077 1.00 0.00 H new ATOM 726 N TYR A 48 2.309 -7.130 -0.786 1.00 0.00 N ATOM 727 CA TYR A 48 3.602 -7.465 -1.369 1.00 0.00 C ATOM 728 C TYR A 48 3.983 -6.466 -2.459 1.00 0.00 C ATOM 729 O TYR A 48 3.327 -6.382 -3.497 1.00 0.00 O ATOM 730 CB TYR A 48 3.575 -8.881 -1.947 1.00 0.00 C ATOM 731 CG TYR A 48 3.221 -9.943 -0.930 1.00 0.00 C ATOM 732 CD1 TYR A 48 4.149 -10.367 0.012 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.958 -10.521 -0.912 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.831 -11.337 0.942 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.630 -11.491 0.016 1.00 0.00 C ATOM 736 CZ TYR A 48 2.570 -11.896 0.940 1.00 0.00 C ATOM 737 OH TYR A 48 2.248 -12.862 1.866 1.00 0.00 O ATOM 0 H TYR A 48 1.507 -7.491 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 48 4.351 -7.418 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.854 -8.917 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.552 -9.109 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.137 -9.930 0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.220 -10.207 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.565 -11.656 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.643 -11.929 0.018 1.00 0.00 H new ATOM 0 HH TYR A 48 1.322 -13.151 1.729 1.00 0.00 H new ATOM 747 N LEU A 49 5.049 -5.712 -2.214 1.00 0.00 N ATOM 748 CA LEU A 49 5.520 -4.719 -3.173 1.00 0.00 C ATOM 749 C LEU A 49 6.629 -5.292 -4.050 1.00 0.00 C ATOM 750 O LEU A 49 7.293 -6.259 -3.676 1.00 0.00 O ATOM 751 CB LEU A 49 6.025 -3.474 -2.442 1.00 0.00 C ATOM 752 CG LEU A 49 5.047 -2.831 -1.458 1.00 0.00 C ATOM 753 CD1 LEU A 49 5.065 -3.569 -0.128 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.381 -1.360 -1.258 1.00 0.00 C ATOM 0 H LEU A 49 5.603 -5.769 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 49 4.682 -4.442 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.933 -3.738 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.304 -2.728 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 49 4.043 -2.901 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.363 -3.097 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.776 -4.608 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.069 -3.531 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.675 -0.919 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.393 -1.267 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.315 -0.839 -2.213 1.00 0.00 H new ATOM 766 N TYR A 50 6.825 -4.688 -5.217 1.00 0.00 N ATOM 767 CA TYR A 50 7.853 -5.138 -6.147 1.00 0.00 C ATOM 768 C TYR A 50 8.309 -3.996 -7.050 1.00 0.00 C ATOM 769 O TYR A 50 7.492 -3.248 -7.586 1.00 0.00 O ATOM 770 CB TYR A 50 7.330 -6.297 -6.997 1.00 0.00 C ATOM 771 CG TYR A 50 6.872 -7.487 -6.184 1.00 0.00 C ATOM 772 CD1 TYR A 50 5.565 -7.576 -5.723 1.00 0.00 C ATOM 773 CD2 TYR A 50 7.748 -8.520 -5.875 1.00 0.00 C ATOM 774 CE1 TYR A 50 5.142 -8.661 -4.979 1.00 0.00 C ATOM 775 CE2 TYR A 50 7.334 -9.609 -5.133 1.00 0.00 C ATOM 776 CZ TYR A 50 6.030 -9.675 -4.687 1.00 0.00 C ATOM 777 OH TYR A 50 5.614 -10.758 -3.946 1.00 0.00 O ATOM 0 H TYR A 50 6.285 -3.885 -5.541 1.00 0.00 H new ATOM 0 HA TYR A 50 8.708 -5.480 -5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.499 -5.943 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.115 -6.617 -7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.867 -6.784 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.770 -8.471 -6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.122 -8.715 -4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.027 -10.405 -4.903 1.00 0.00 H new ATOM 0 HH TYR A 50 6.361 -11.382 -3.831 1.00 0.00 H new ATOM 787 N LYS A 51 9.622 -3.868 -7.214 1.00 0.00 N ATOM 788 CA LYS A 51 10.190 -2.819 -8.052 1.00 0.00 C ATOM 789 C LYS A 51 9.710 -2.956 -9.494 1.00 0.00 C ATOM 790 O LYS A 51 9.383 -1.964 -10.146 1.00 0.00 O ATOM 791 CB LYS A 51 11.718 -2.872 -8.005 1.00 0.00 C ATOM 792 CG LYS A 51 12.321 -2.031 -6.893 1.00 0.00 C ATOM 793 CD LYS A 51 13.784 -1.717 -7.161 1.00 0.00 C ATOM 794 CE LYS A 51 14.329 -0.707 -6.164 1.00 0.00 C ATOM 795 NZ LYS A 51 15.688 -0.230 -6.544 1.00 0.00 N ATOM 0 H LYS A 51 10.313 -4.478 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 51 9.854 -1.857 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.034 -3.908 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.115 -2.533 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.761 -1.101 -6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.229 -2.561 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.370 -2.635 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.894 -1.327 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.650 0.143 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.367 -1.159 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.024 0.457 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.342 -1.038 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.648 0.224 -7.479 1.00 0.00 H new ATOM 809 N ASP A 52 9.671 -4.190 -9.985 1.00 0.00 N ATOM 810 CA ASP A 52 9.229 -4.456 -11.349 1.00 0.00 C ATOM 811 C ASP A 52 8.242 -5.619 -11.383 1.00 0.00 C ATOM 812 O ASP A 52 8.505 -6.687 -10.831 1.00 0.00 O ATOM 813 CB ASP A 52 10.429 -4.763 -12.246 1.00 0.00 C ATOM 814 CG ASP A 52 10.138 -4.504 -13.711 1.00 0.00 C ATOM 815 OD1 ASP A 52 9.162 -3.781 -14.003 1.00 0.00 O ATOM 816 OD2 ASP A 52 10.885 -5.024 -14.566 1.00 0.00 O ATOM 0 H ASP A 52 9.940 -5.021 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 52 8.725 -3.564 -11.722 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.277 -4.154 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.720 -5.805 -12.115 1.00 0.00 H new ATOM 821 N LYS A 53 7.104 -5.403 -12.034 1.00 0.00 N ATOM 822 CA LYS A 53 6.076 -6.432 -12.141 1.00 0.00 C ATOM 823 C LYS A 53 6.483 -7.504 -13.147 1.00 0.00 C ATOM 824 O LYS A 53 6.328 -8.699 -12.892 1.00 0.00 O ATOM 825 CB LYS A 53 4.742 -5.808 -12.556 1.00 0.00 C ATOM 826 CG LYS A 53 3.659 -6.831 -12.854 1.00 0.00 C ATOM 827 CD LYS A 53 2.396 -6.169 -13.379 1.00 0.00 C ATOM 828 CE LYS A 53 1.269 -7.176 -13.552 1.00 0.00 C ATOM 829 NZ LYS A 53 0.248 -6.703 -14.527 1.00 0.00 N ATOM 0 H LYS A 53 6.870 -4.524 -12.496 1.00 0.00 H new ATOM 0 HA LYS A 53 5.962 -6.900 -11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.397 -5.147 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.899 -5.189 -13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.027 -7.548 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.428 -7.392 -11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.082 -5.385 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.606 -5.689 -14.335 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.680 -8.127 -13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.794 -7.358 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.503 -7.417 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.163 -5.808 -14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.696 -6.553 -15.454 1.00 0.00 H new ATOM 1014 N PRO A 65 6.124 -7.881 3.414 1.00 0.00 N ATOM 1015 CA PRO A 65 4.768 -7.341 3.277 1.00 0.00 C ATOM 1016 C PRO A 65 4.343 -6.525 4.493 1.00 0.00 C ATOM 1017 O PRO A 65 4.969 -6.599 5.551 1.00 0.00 O ATOM 1018 CB PRO A 65 3.899 -8.595 3.145 1.00 0.00 C ATOM 1019 CG PRO A 65 4.678 -9.669 3.823 1.00 0.00 C ATOM 1020 CD PRO A 65 6.126 -9.343 3.585 1.00 0.00 C ATOM 0 HA PRO A 65 4.685 -6.657 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.926 -8.454 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.714 -8.840 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.455 -9.699 4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.427 -10.649 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.750 -9.648 4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.512 -9.850 2.701 1.00 0.00 H new ATOM 1028 N ILE A 66 3.277 -5.748 4.335 1.00 0.00 N ATOM 1029 CA ILE A 66 2.769 -4.919 5.421 1.00 0.00 C ATOM 1030 C ILE A 66 1.377 -5.370 5.852 1.00 0.00 C ATOM 1031 O ILE A 66 0.384 -5.075 5.187 1.00 0.00 O ATOM 1032 CB ILE A 66 2.713 -3.434 5.017 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.097 -2.950 4.579 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.192 -2.591 6.172 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.059 -1.690 3.742 1.00 0.00 C ATOM 0 H ILE A 66 2.748 -5.675 3.466 1.00 0.00 H new ATOM 0 HA ILE A 66 3.460 -5.034 6.256 1.00 0.00 H new ATOM 0 HB ILE A 66 2.028 -3.326 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.707 -2.770 5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.586 -3.740 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.158 -1.544 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.190 -2.924 6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.855 -2.701 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.075 -1.405 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.476 -1.871 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.599 -0.886 4.316 1.00 0.00 H new ATOM 1047 N SER A 67 1.313 -6.086 6.970 1.00 0.00 N ATOM 1048 CA SER A 67 0.043 -6.580 7.489 1.00 0.00 C ATOM 1049 C SER A 67 -0.952 -5.437 7.668 1.00 0.00 C ATOM 1050 O SER A 67 -0.820 -4.621 8.580 1.00 0.00 O ATOM 1051 CB SER A 67 0.258 -7.298 8.823 1.00 0.00 C ATOM 1052 OG SER A 67 0.947 -6.469 9.743 1.00 0.00 O ATOM 0 H SER A 67 2.125 -6.337 7.534 1.00 0.00 H new ATOM 0 HA SER A 67 -0.367 -7.286 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.705 -7.590 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.825 -8.214 8.659 1.00 0.00 H new ATOM 0 HG SER A 67 0.613 -5.551 9.669 1.00 0.00 H new ATOM 1058 N VAL A 68 -1.949 -5.386 6.790 1.00 0.00 N ATOM 1059 CA VAL A 68 -2.968 -4.344 6.851 1.00 0.00 C ATOM 1060 C VAL A 68 -4.004 -4.651 7.926 1.00 0.00 C ATOM 1061 O VAL A 68 -4.697 -3.756 8.408 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.683 -4.180 5.496 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.679 -3.862 4.398 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.477 -5.432 5.158 1.00 0.00 C ATOM 0 H VAL A 68 -2.073 -6.053 6.029 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.456 -3.414 7.099 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.380 -3.345 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.202 -3.750 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.159 -2.935 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.956 -4.674 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.975 -5.299 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.802 -6.286 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.223 -5.610 5.932 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.104 -5.923 8.298 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.057 -6.349 9.317 1.00 0.00 C ATOM 1076 C ASN A 69 -5.166 -5.309 10.428 1.00 0.00 C ATOM 1077 O ASN A 69 -4.203 -5.056 11.151 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.637 -7.698 9.905 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.752 -8.356 10.695 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.573 -9.086 10.140 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -5.785 -8.099 11.997 1.00 0.00 N ATOM 0 H ASN A 69 -3.537 -6.677 7.909 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.034 -6.454 8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.326 -8.362 9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.772 -7.556 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.512 -8.513 12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.083 -7.487 12.414 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.345 -4.711 10.557 1.00 0.00 N ATOM 1089 CA ALA A 70 -6.581 -3.700 11.581 1.00 0.00 C ATOM 1090 C ALA A 70 -5.839 -2.408 11.258 1.00 0.00 C ATOM 1091 O ALA A 70 -5.218 -1.802 12.133 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.162 -4.225 12.946 1.00 0.00 C ATOM 0 H ALA A 70 -7.152 -4.909 9.965 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.648 -3.479 11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.343 -3.460 13.701 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.741 -5.117 13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.101 -4.474 12.930 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.907 -1.991 9.999 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.240 -0.770 9.560 1.00 0.00 C ATOM 1100 C CYS A 71 -6.205 0.411 9.573 1.00 0.00 C ATOM 1101 O CYS A 71 -7.370 0.270 9.945 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.661 -0.956 8.157 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.845 -1.592 6.948 1.00 0.00 S ATOM 0 H CYS A 71 -6.417 -2.480 9.264 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.427 -0.559 10.255 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.277 0.001 7.804 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.813 -1.639 8.213 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.340 -1.495 5.754 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.711 1.575 9.166 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.529 2.783 9.132 1.00 0.00 C ATOM 1111 C LEU A 72 -6.182 3.641 7.920 1.00 0.00 C ATOM 1112 O LEU A 72 -5.101 4.227 7.851 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.334 3.591 10.416 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.576 2.839 11.726 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.807 3.490 12.865 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -8.063 2.787 12.044 1.00 0.00 C ATOM 0 H LEU A 72 -4.749 1.708 8.855 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.574 2.483 9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.316 3.979 10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.003 4.451 10.385 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.214 1.817 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.991 2.942 13.789 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.741 3.474 12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.137 4.522 12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.216 2.248 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.450 3.801 12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.589 2.274 11.239 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.106 3.713 6.968 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.899 4.503 5.761 1.00 0.00 C ATOM 1130 C ILE A 73 -7.559 5.872 5.879 1.00 0.00 C ATOM 1131 O ILE A 73 -8.626 6.009 6.478 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.453 3.785 4.516 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.483 2.695 4.055 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.707 4.784 3.397 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.070 1.762 3.019 1.00 0.00 C ATOM 0 H ILE A 73 -8.005 3.234 7.009 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.822 4.630 5.649 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.401 3.314 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.590 3.165 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.167 2.112 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.098 4.261 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.432 5.527 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.773 5.281 3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.327 1.015 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.947 1.264 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.360 2.334 2.137 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.918 6.884 5.304 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.444 8.243 5.342 1.00 0.00 C ATOM 1149 C ASP A 74 -6.770 9.117 4.289 1.00 0.00 C ATOM 1150 O ASP A 74 -5.555 9.316 4.319 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.244 8.851 6.732 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.122 8.198 7.781 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.320 8.543 7.849 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.611 7.344 8.535 1.00 0.00 O ATOM 0 H ASP A 74 -6.033 6.788 4.806 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.511 8.200 5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.198 8.749 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.462 9.918 6.693 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.566 9.634 3.359 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.045 10.486 2.297 1.00 0.00 C ATOM 1161 C ILE A 75 -6.018 11.475 2.839 1.00 0.00 C ATOM 1162 O ILE A 75 -6.374 12.510 3.402 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.173 11.267 1.598 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.203 10.301 1.008 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.601 12.167 0.514 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.405 10.993 0.404 1.00 0.00 C ATOM 0 H ILE A 75 -8.573 9.478 3.319 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.565 9.829 1.572 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.673 11.894 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.722 9.693 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.541 9.621 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.411 12.712 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.903 12.875 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.079 11.560 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.092 10.247 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.911 11.579 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.079 11.652 -0.401 1.00 0.00 H new ATOM 1178 N SER A 76 -4.741 11.149 2.663 1.00 0.00 N ATOM 1179 CA SER A 76 -3.661 12.007 3.136 1.00 0.00 C ATOM 1180 C SER A 76 -4.035 13.479 2.994 1.00 0.00 C ATOM 1181 O SER A 76 -4.789 13.856 2.096 1.00 0.00 O ATOM 1182 CB SER A 76 -2.375 11.719 2.359 1.00 0.00 C ATOM 1183 OG SER A 76 -1.284 12.452 2.889 1.00 0.00 O ATOM 0 H SER A 76 -4.429 10.297 2.196 1.00 0.00 H new ATOM 0 HA SER A 76 -3.495 11.792 4.192 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.154 10.652 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.515 11.977 1.309 1.00 0.00 H new ATOM 0 HG SER A 76 -0.474 12.249 2.376 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.504 14.307 3.887 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.783 15.738 3.864 1.00 0.00 C ATOM 1191 C TYR A 77 -3.894 16.248 2.431 1.00 0.00 C ATOM 1192 O TYR A 77 -3.156 15.813 1.546 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.688 16.504 4.608 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.290 16.171 4.137 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.619 15.056 4.625 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.640 16.971 3.206 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.658 14.748 4.199 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.637 16.670 2.773 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.282 15.558 3.273 1.00 0.00 C ATOM 1200 OH TYR A 77 2.554 15.256 2.846 1.00 0.00 O ATOM 0 H TYR A 77 -2.878 14.012 4.636 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.737 15.905 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.858 17.574 4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.765 16.288 5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.105 14.419 5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.141 17.843 2.814 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.165 13.878 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.127 17.302 2.047 1.00 0.00 H new ATOM 0 HH TYR A 77 2.848 15.925 2.193 1.00 0.00 H new ATOM 1210 N SER A 78 -4.820 17.175 2.209 1.00 0.00 N ATOM 1211 CA SER A 78 -5.031 17.744 0.883 1.00 0.00 C ATOM 1212 C SER A 78 -4.118 18.946 0.657 1.00 0.00 C ATOM 1213 O SER A 78 -4.575 20.020 0.268 1.00 0.00 O ATOM 1214 CB SER A 78 -6.493 18.160 0.710 1.00 0.00 C ATOM 1215 OG SER A 78 -7.357 17.042 0.817 1.00 0.00 O ATOM 0 H SER A 78 -5.437 17.548 2.931 1.00 0.00 H new ATOM 0 HA SER A 78 -4.788 16.981 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.756 18.900 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.627 18.635 -0.262 1.00 0.00 H new ATOM 0 HG SER A 78 -8.286 17.334 0.705 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.826 18.754 0.903 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.849 19.822 0.727 1.00 0.00 C ATOM 1223 C GLU A 79 -0.740 19.393 -0.229 1.00 0.00 C ATOM 1224 O GLU A 79 -0.346 20.145 -1.120 1.00 0.00 O ATOM 1225 CB GLU A 79 -1.248 20.222 2.076 1.00 0.00 C ATOM 1226 CG GLU A 79 -0.829 21.681 2.148 1.00 0.00 C ATOM 1227 CD GLU A 79 -1.952 22.587 2.613 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -3.127 22.270 2.332 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -1.656 23.614 3.260 1.00 0.00 O ATOM 0 H GLU A 79 -2.432 17.870 1.224 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.363 20.682 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.976 20.023 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.381 19.593 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.017 21.779 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.488 22.006 1.165 1.00 0.00 H new ATOM 1236 N THR A 80 -0.239 18.176 -0.036 1.00 0.00 N ATOM 1237 CA THR A 80 0.826 17.646 -0.879 1.00 0.00 C ATOM 1238 C THR A 80 0.459 17.744 -2.355 1.00 0.00 C ATOM 1239 O THR A 80 -0.550 17.191 -2.794 1.00 0.00 O ATOM 1240 CB THR A 80 1.135 16.177 -0.535 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.123 15.661 -1.434 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.124 15.326 -0.615 1.00 0.00 C ATOM 0 H THR A 80 -0.554 17.540 0.696 1.00 0.00 H new ATOM 0 HA THR A 80 1.712 18.251 -0.687 1.00 0.00 H new ATOM 0 HB THR A 80 1.517 16.138 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.315 14.727 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.119 14.293 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.864 15.703 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.530 15.372 -1.625 1.00 0.00 H new ATOM 1250 N LYS A 81 1.285 18.452 -3.119 1.00 0.00 N ATOM 1251 CA LYS A 81 1.049 18.622 -4.548 1.00 0.00 C ATOM 1252 C LYS A 81 0.509 17.337 -5.167 1.00 0.00 C ATOM 1253 O LYS A 81 -0.368 17.373 -6.030 1.00 0.00 O ATOM 1254 CB LYS A 81 2.343 19.035 -5.253 1.00 0.00 C ATOM 1255 CG LYS A 81 2.583 20.535 -5.254 1.00 0.00 C ATOM 1256 CD LYS A 81 3.274 20.990 -3.980 1.00 0.00 C ATOM 1257 CE LYS A 81 3.393 22.505 -3.920 1.00 0.00 C ATOM 1258 NZ LYS A 81 2.063 23.160 -3.782 1.00 0.00 N ATOM 0 H LYS A 81 2.124 18.917 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 81 0.304 19.408 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.185 18.541 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.315 18.679 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.192 20.806 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.632 21.057 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.715 20.634 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.267 20.544 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.026 22.787 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.884 22.867 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.192 24.150 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.564 23.128 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.502 22.659 -3.063 1.00 0.00 H new ATOM 1272 N ARG A 82 1.036 16.202 -4.719 1.00 0.00 N ATOM 1273 CA ARG A 82 0.606 14.906 -5.229 1.00 0.00 C ATOM 1274 C ARG A 82 -0.891 14.707 -5.015 1.00 0.00 C ATOM 1275 O ARG A 82 -1.415 14.967 -3.931 1.00 0.00 O ATOM 1276 CB ARG A 82 1.384 13.781 -4.544 1.00 0.00 C ATOM 1277 CG ARG A 82 2.756 13.532 -5.150 1.00 0.00 C ATOM 1278 CD ARG A 82 3.825 14.377 -4.475 1.00 0.00 C ATOM 1279 NE ARG A 82 3.993 15.672 -5.130 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.682 15.844 -6.252 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.263 14.809 -6.842 1.00 0.00 N ATOM 1282 NH2 ARG A 82 4.789 17.053 -6.787 1.00 0.00 N ATOM 0 H ARG A 82 1.762 16.154 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 82 0.809 14.879 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.501 14.023 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.800 12.862 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.011 12.477 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.731 13.759 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.559 14.531 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.773 13.839 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 82 3.557 16.489 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.181 13.878 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.792 14.944 -7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.342 17.851 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.318 17.184 -7.649 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.576 14.244 -6.055 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.013 14.010 -5.983 1.00 0.00 C ATOM 1298 C LYS A 83 -3.313 12.530 -5.767 1.00 0.00 C ATOM 1299 O LYS A 83 -2.415 11.691 -5.824 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.696 14.497 -7.262 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.567 15.994 -7.488 1.00 0.00 C ATOM 1302 CD LYS A 83 -2.299 16.335 -8.253 1.00 0.00 C ATOM 1303 CE LYS A 83 -2.426 15.986 -9.728 1.00 0.00 C ATOM 1304 NZ LYS A 83 -1.100 15.940 -10.404 1.00 0.00 N ATOM 0 H LYS A 83 -1.158 14.023 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.404 14.571 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.268 13.971 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.753 14.234 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.434 16.356 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.563 16.509 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.084 17.398 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.456 15.795 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.920 15.020 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.060 16.722 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.230 15.699 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.639 16.869 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.503 15.220 -9.949 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.580 12.217 -5.520 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.998 10.837 -5.296 1.00 0.00 C ATOM 1320 C ASN A 84 -4.051 10.132 -4.329 1.00 0.00 C ATOM 1321 O ASN A 84 -3.568 9.035 -4.606 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.048 10.076 -6.623 1.00 0.00 C ATOM 1323 CG ASN A 84 -4.043 10.602 -7.630 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -2.916 10.115 -7.711 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -4.449 11.603 -8.403 1.00 0.00 N ATOM 0 H ASN A 84 -5.336 12.900 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.995 10.852 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.855 9.019 -6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.051 10.149 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.817 11.999 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.393 11.976 -8.301 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.792 10.771 -3.193 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.905 10.206 -2.183 1.00 0.00 C ATOM 1334 C VAL A 85 -3.680 9.811 -0.931 1.00 0.00 C ATOM 1335 O VAL A 85 -4.339 10.643 -0.307 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.793 11.198 -1.794 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.017 10.685 -0.590 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.863 11.444 -2.973 1.00 0.00 C ATOM 0 H VAL A 85 -4.184 11.681 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.451 9.317 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.255 12.147 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.236 11.399 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.695 10.565 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.564 9.723 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.083 12.147 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.407 10.503 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.432 11.859 -3.805 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.595 8.535 -0.567 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.289 8.029 0.612 1.00 0.00 C ATOM 1350 C PHE A 86 -3.294 7.545 1.662 1.00 0.00 C ATOM 1351 O PHE A 86 -2.376 6.783 1.358 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.233 6.889 0.224 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.613 5.889 -0.710 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.281 6.246 -2.007 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.362 4.592 -0.291 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.710 5.328 -2.869 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.791 3.671 -1.148 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.466 4.039 -2.439 1.00 0.00 C ATOM 0 H PHE A 86 -3.053 7.833 -1.071 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.872 8.845 1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.561 6.376 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.123 7.309 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.470 7.253 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.616 4.298 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.455 5.619 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.599 2.664 -0.809 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.022 3.320 -3.111 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.482 7.994 2.899 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.601 7.609 3.994 1.00 0.00 C ATOM 1370 C ARG A 87 -3.119 6.356 4.694 1.00 0.00 C ATOM 1371 O ARG A 87 -4.263 6.315 5.149 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.474 8.754 5.001 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.366 8.548 6.021 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.011 9.846 6.728 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.896 10.112 7.859 1.00 0.00 N ATOM 1376 CZ ARG A 87 -1.899 11.255 8.537 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.069 12.232 8.199 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.734 11.422 9.555 1.00 0.00 N ATOM 0 H ARG A 87 -4.237 8.625 3.167 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.618 7.391 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.291 9.683 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.422 8.872 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.680 7.806 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.482 8.150 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.020 9.798 7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.069 10.672 6.020 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.547 9.381 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.426 12.107 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.073 13.108 8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.374 10.673 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.735 12.300 10.075 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.271 5.337 4.777 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.643 4.083 5.421 1.00 0.00 C ATOM 1394 C LEU A 88 -1.743 3.798 6.619 1.00 0.00 C ATOM 1395 O LEU A 88 -0.520 3.917 6.534 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.561 2.928 4.421 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.460 1.526 5.021 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.063 0.497 4.078 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -1.010 1.182 5.332 1.00 0.00 C ATOM 0 H LEU A 88 -1.321 5.355 4.406 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.670 4.176 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.443 2.965 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.695 3.090 3.780 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.025 1.509 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.982 -0.495 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.113 0.733 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.527 0.515 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.957 0.180 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.423 1.217 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.610 1.902 6.046 1.00 0.00 H new ATOM 1411 N THR A 89 -2.356 3.419 7.737 1.00 0.00 N ATOM 1412 CA THR A 89 -1.610 3.115 8.952 1.00 0.00 C ATOM 1413 C THR A 89 -1.820 1.667 9.379 1.00 0.00 C ATOM 1414 O THR A 89 -2.952 1.226 9.579 1.00 0.00 O ATOM 1415 CB THR A 89 -2.021 4.045 10.110 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.970 5.411 9.683 1.00 0.00 O ATOM 1417 CG2 THR A 89 -1.108 3.849 11.310 1.00 0.00 C ATOM 0 H THR A 89 -3.367 3.315 7.826 1.00 0.00 H new ATOM 0 HA THR A 89 -0.556 3.274 8.724 1.00 0.00 H new ATOM 0 HB THR A 89 -3.040 3.795 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.314 5.898 10.224 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.417 4.516 12.115 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.171 2.815 11.650 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.080 4.075 11.026 1.00 0.00 H new ATOM 1425 N THR A 90 -0.722 0.931 9.518 1.00 0.00 N ATOM 1426 CA THR A 90 -0.786 -0.468 9.921 1.00 0.00 C ATOM 1427 C THR A 90 -0.290 -0.652 11.351 1.00 0.00 C ATOM 1428 O THR A 90 0.681 -0.021 11.767 1.00 0.00 O ATOM 1429 CB THR A 90 0.046 -1.362 8.982 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.434 -1.032 9.095 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.405 -1.197 7.539 1.00 0.00 C ATOM 0 H THR A 90 0.223 1.281 9.357 1.00 0.00 H new ATOM 0 HA THR A 90 -1.833 -0.766 9.861 1.00 0.00 H new ATOM 0 HB THR A 90 -0.105 -2.401 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.554 -0.069 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.197 -1.838 6.894 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.455 -1.477 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.281 -0.158 7.235 1.00 0.00 H new ATOM 1439 N SER A 91 -0.963 -1.520 12.099 1.00 0.00 N ATOM 1440 CA SER A 91 -0.592 -1.785 13.484 1.00 0.00 C ATOM 1441 C SER A 91 0.925 -1.847 13.638 1.00 0.00 C ATOM 1442 O SER A 91 1.461 -1.600 14.718 1.00 0.00 O ATOM 1443 CB SER A 91 -1.218 -3.096 13.961 1.00 0.00 C ATOM 1444 OG SER A 91 -1.277 -3.149 15.376 1.00 0.00 O ATOM 0 H SER A 91 -1.768 -2.052 11.769 1.00 0.00 H new ATOM 0 HA SER A 91 -0.969 -0.967 14.097 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.222 -3.194 13.548 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.636 -3.938 13.587 1.00 0.00 H new ATOM 0 HG SER A 91 -1.683 -3.996 15.655 1.00 0.00 H new ATOM 1450 N ASP A 92 1.610 -2.178 12.549 1.00 0.00 N ATOM 1451 CA ASP A 92 3.065 -2.272 12.561 1.00 0.00 C ATOM 1452 C ASP A 92 3.700 -0.896 12.388 1.00 0.00 C ATOM 1453 O ASP A 92 4.420 -0.418 13.266 1.00 0.00 O ATOM 1454 CB ASP A 92 3.546 -3.212 11.454 1.00 0.00 C ATOM 1455 CG ASP A 92 5.031 -3.501 11.545 1.00 0.00 C ATOM 1456 OD1 ASP A 92 5.795 -2.578 11.896 1.00 0.00 O ATOM 1457 OD2 ASP A 92 5.430 -4.651 11.263 1.00 0.00 O ATOM 0 H ASP A 92 1.181 -2.386 11.647 1.00 0.00 H new ATOM 0 HA ASP A 92 3.370 -2.674 13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.992 -4.149 11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.324 -2.769 10.483 1.00 0.00 H new ATOM 1462 N CYS A 93 3.430 -0.264 11.251 1.00 0.00 N ATOM 1463 CA CYS A 93 3.976 1.057 10.962 1.00 0.00 C ATOM 1464 C CYS A 93 3.030 1.853 10.069 1.00 0.00 C ATOM 1465 O CYS A 93 1.995 1.346 9.638 1.00 0.00 O ATOM 1466 CB CYS A 93 5.345 0.930 10.290 1.00 0.00 C ATOM 1467 SG CYS A 93 6.655 0.347 11.391 1.00 0.00 S ATOM 0 H CYS A 93 2.836 -0.645 10.514 1.00 0.00 H new ATOM 0 HA CYS A 93 4.090 1.590 11.906 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.262 0.245 9.447 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.631 1.901 9.885 1.00 0.00 H new ATOM 0 HG CYS A 93 6.436 -0.895 11.707 1.00 0.00 H new ATOM 1473 N GLU A 94 3.393 3.102 9.796 1.00 0.00 N ATOM 1474 CA GLU A 94 2.575 3.969 8.956 1.00 0.00 C ATOM 1475 C GLU A 94 3.281 4.275 7.638 1.00 0.00 C ATOM 1476 O GLU A 94 4.505 4.410 7.595 1.00 0.00 O ATOM 1477 CB GLU A 94 2.253 5.272 9.690 1.00 0.00 C ATOM 1478 CG GLU A 94 1.187 6.110 9.005 1.00 0.00 C ATOM 1479 CD GLU A 94 0.868 7.383 9.764 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.646 8.353 9.649 1.00 0.00 O ATOM 1481 OE2 GLU A 94 -0.160 7.409 10.472 1.00 0.00 O ATOM 0 H GLU A 94 4.248 3.536 10.144 1.00 0.00 H new ATOM 0 HA GLU A 94 1.645 3.445 8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.923 5.037 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.165 5.863 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.521 6.365 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.278 5.518 8.898 1.00 0.00 H new ATOM 1488 N CYS A 95 2.502 4.383 6.568 1.00 0.00 N ATOM 1489 CA CYS A 95 3.053 4.672 5.248 1.00 0.00 C ATOM 1490 C CYS A 95 2.036 5.411 4.385 1.00 0.00 C ATOM 1491 O CYS A 95 0.912 5.673 4.817 1.00 0.00 O ATOM 1492 CB CYS A 95 3.481 3.377 4.557 1.00 0.00 C ATOM 1493 SG CYS A 95 4.507 2.297 5.582 1.00 0.00 S ATOM 0 H CYS A 95 1.488 4.275 6.588 1.00 0.00 H new ATOM 0 HA CYS A 95 3.926 5.312 5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.590 2.830 4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.030 3.627 3.649 1.00 0.00 H new ATOM 0 HG CYS A 95 4.940 2.960 6.613 1.00 0.00 H new ATOM 1499 N LEU A 96 2.437 5.747 3.164 1.00 0.00 N ATOM 1500 CA LEU A 96 1.561 6.459 2.239 1.00 0.00 C ATOM 1501 C LEU A 96 1.430 5.701 0.922 1.00 0.00 C ATOM 1502 O LEU A 96 2.206 4.789 0.638 1.00 0.00 O ATOM 1503 CB LEU A 96 2.097 7.868 1.980 1.00 0.00 C ATOM 1504 CG LEU A 96 1.622 8.955 2.944 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.629 10.093 3.003 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.252 9.473 2.530 1.00 0.00 C ATOM 0 H LEU A 96 3.363 5.538 2.791 1.00 0.00 H new ATOM 0 HA LEU A 96 0.573 6.532 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.186 7.832 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.818 8.161 0.968 1.00 0.00 H new ATOM 0 HG LEU A 96 1.538 8.520 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.274 10.857 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.590 9.711 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.746 10.527 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.071 10.246 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.310 9.892 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.466 8.653 2.541 1.00 0.00 H new ATOM 1518 N PHE A 97 0.444 6.088 0.119 1.00 0.00 N ATOM 1519 CA PHE A 97 0.212 5.446 -1.170 1.00 0.00 C ATOM 1520 C PHE A 97 -0.417 6.423 -2.159 1.00 0.00 C ATOM 1521 O PHE A 97 -1.176 7.311 -1.771 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.692 4.223 -0.999 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.013 3.064 -0.328 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.919 2.299 -1.013 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.305 2.738 0.986 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.546 1.232 -0.398 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.319 1.673 1.606 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.245 0.918 0.912 1.00 0.00 C ATOM 0 H PHE A 97 -0.207 6.842 0.338 1.00 0.00 H new ATOM 0 HA PHE A 97 1.175 5.125 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.568 4.508 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.050 3.906 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.157 2.540 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.029 3.324 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.271 0.644 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.083 1.431 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.733 0.083 1.394 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.094 6.253 -3.436 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.625 7.121 -4.481 1.00 0.00 C ATOM 1540 C GLN A 98 -1.110 6.303 -5.673 1.00 0.00 C ATOM 1541 O GLN A 98 -0.539 5.262 -5.998 1.00 0.00 O ATOM 1542 CB GLN A 98 0.439 8.122 -4.932 1.00 0.00 C ATOM 1543 CG GLN A 98 -0.126 9.306 -5.700 1.00 0.00 C ATOM 1544 CD GLN A 98 0.904 10.393 -5.937 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.019 10.332 -5.418 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.536 11.396 -6.726 1.00 0.00 N ATOM 0 H GLN A 98 0.533 5.522 -3.773 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.474 7.667 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.974 8.490 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.168 7.607 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.512 8.961 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.969 9.723 -5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.398 11.407 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.188 12.156 -6.923 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.167 6.781 -6.322 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.727 6.095 -7.480 1.00 0.00 C ATOM 1557 C ALA A 99 -2.549 6.924 -8.748 1.00 0.00 C ATOM 1558 O ALA A 99 -2.114 8.074 -8.692 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.199 5.789 -7.250 1.00 0.00 C ATOM 0 H ALA A 99 -2.653 7.641 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.188 5.157 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.605 5.277 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.305 5.151 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.743 6.720 -7.090 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.887 6.331 -9.889 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.762 7.015 -11.171 1.00 0.00 C ATOM 1567 C GLU A 100 -3.902 8.010 -11.369 1.00 0.00 C ATOM 1568 O GLU A 100 -3.687 9.132 -11.829 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.750 6.001 -12.316 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.204 4.640 -11.919 1.00 0.00 C ATOM 1571 CD GLU A 100 -0.959 4.740 -11.059 1.00 0.00 C ATOM 1572 OE1 GLU A 100 0.046 5.309 -11.533 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -0.991 4.249 -9.911 1.00 0.00 O ATOM 0 H GLU A 100 -3.249 5.379 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.820 7.563 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.765 5.880 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.151 6.398 -13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.972 4.088 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.975 4.068 -12.818 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.113 7.591 -11.020 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.287 8.445 -11.159 1.00 0.00 C ATOM 1582 C ASP A 101 -7.247 8.243 -9.991 1.00 0.00 C ATOM 1583 O ASP A 101 -7.286 7.172 -9.385 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.002 8.153 -12.479 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.225 8.651 -13.681 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -6.338 9.852 -14.006 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -5.502 7.841 -14.297 1.00 0.00 O ATOM 0 H ASP A 101 -5.308 6.665 -10.639 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.954 9.483 -11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.161 7.079 -12.573 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.986 8.621 -12.467 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.018 9.280 -9.679 1.00 0.00 N ATOM 1593 CA ARG A 102 -8.976 9.217 -8.582 1.00 0.00 C ATOM 1594 C ARG A 102 -9.660 7.854 -8.535 1.00 0.00 C ATOM 1595 O ARG A 102 -9.532 7.117 -7.557 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.025 10.321 -8.729 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.008 10.384 -7.572 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.999 11.525 -7.744 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.661 11.870 -6.489 1.00 0.00 N ATOM 1600 CZ ARG A 102 -13.295 13.019 -6.284 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -13.353 13.928 -7.246 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -13.873 13.259 -5.114 1.00 0.00 N ATOM 0 H ARG A 102 -7.998 10.174 -10.171 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.432 9.364 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.519 11.282 -8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.577 10.165 -9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.548 9.440 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.463 10.512 -6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.479 12.401 -8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.749 11.245 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.635 11.191 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.910 13.746 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.841 14.810 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.831 12.561 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.360 14.142 -4.957 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.387 7.526 -9.597 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.091 6.251 -9.678 1.00 0.00 C ATOM 1618 C ASP A 103 -10.233 5.120 -9.119 1.00 0.00 C ATOM 1619 O ASP A 103 -10.663 4.382 -8.232 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.477 5.947 -11.126 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.736 6.674 -11.555 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.026 7.747 -10.984 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.432 6.171 -12.461 1.00 0.00 O ATOM 0 H ASP A 103 -10.505 8.125 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.997 6.327 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.656 6.229 -11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.624 4.873 -11.242 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.020 4.990 -9.644 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.102 3.948 -9.198 1.00 0.00 C ATOM 1630 C ASP A 104 -7.811 4.083 -7.706 1.00 0.00 C ATOM 1631 O ASP A 104 -7.776 3.091 -6.979 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.797 4.015 -9.993 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.911 3.349 -11.350 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -7.316 2.168 -11.399 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -6.596 4.008 -12.362 1.00 0.00 O ATOM 0 H ASP A 104 -8.649 5.593 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.575 2.982 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.509 5.058 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.002 3.536 -9.422 1.00 0.00 H new ATOM 1640 N MET A 105 -7.602 5.317 -7.258 1.00 0.00 N ATOM 1641 CA MET A 105 -7.314 5.581 -5.853 1.00 0.00 C ATOM 1642 C MET A 105 -8.398 4.992 -4.956 1.00 0.00 C ATOM 1643 O MET A 105 -8.110 4.206 -4.052 1.00 0.00 O ATOM 1644 CB MET A 105 -7.196 7.087 -5.609 1.00 0.00 C ATOM 1645 CG MET A 105 -6.743 7.440 -4.202 1.00 0.00 C ATOM 1646 SD MET A 105 -8.123 7.671 -3.065 1.00 0.00 S ATOM 1647 CE MET A 105 -8.793 9.223 -3.656 1.00 0.00 C ATOM 0 H MET A 105 -7.627 6.149 -7.847 1.00 0.00 H new ATOM 0 HA MET A 105 -6.365 5.105 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.491 7.509 -6.326 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.162 7.555 -5.799 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.095 6.649 -3.824 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.147 8.352 -4.234 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.645 9.510 -3.040 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.027 9.996 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.116 9.109 -4.691 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.644 5.375 -5.212 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.771 4.885 -4.427 1.00 0.00 C ATOM 1659 C LEU A 106 -10.839 3.361 -4.465 1.00 0.00 C ATOM 1660 O LEU A 106 -10.953 2.709 -3.427 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.080 5.478 -4.951 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.515 6.803 -4.323 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -11.314 7.710 -4.104 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -13.553 7.492 -5.197 1.00 0.00 C ATOM 0 H LEU A 106 -9.899 6.023 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.626 5.199 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.985 5.623 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.874 4.748 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.967 6.592 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.643 8.648 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.604 7.219 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.833 7.914 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -13.851 8.433 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.127 7.690 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -14.426 6.847 -5.303 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.767 2.801 -5.667 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.816 1.354 -5.840 1.00 0.00 C ATOM 1678 C ALA A 107 -9.932 0.649 -4.818 1.00 0.00 C ATOM 1679 O ALA A 107 -10.319 -0.373 -4.249 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.397 0.977 -7.253 1.00 0.00 C ATOM 0 H ALA A 107 -10.675 3.327 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.844 1.028 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.438 -0.106 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.073 1.444 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.379 1.323 -7.435 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.746 1.199 -4.589 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.806 0.621 -3.635 1.00 0.00 C ATOM 1688 C TRP A 108 -8.330 0.751 -2.209 1.00 0.00 C ATOM 1689 O TRP A 108 -8.500 -0.246 -1.507 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.442 1.302 -3.754 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.537 0.648 -4.754 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.195 1.127 -5.987 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.862 -0.606 -4.607 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.347 0.247 -6.614 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.126 -0.824 -5.789 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.804 -1.564 -3.592 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.346 -1.961 -5.981 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.030 -2.693 -3.784 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.309 -2.883 -4.970 1.00 0.00 C ATOM 0 H TRP A 108 -8.412 2.045 -5.051 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.696 -0.438 -3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.588 2.345 -4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -5.956 1.299 -2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.541 2.060 -6.407 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -3.946 0.371 -7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.354 -1.425 -2.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.790 -2.110 -6.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.980 -3.441 -3.007 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.712 -3.775 -5.089 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.584 1.985 -1.787 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.090 2.244 -0.444 1.00 0.00 C ATOM 1712 C ILE A 109 -10.214 1.279 -0.085 1.00 0.00 C ATOM 1713 O ILE A 109 -10.208 0.671 0.986 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.605 3.689 -0.305 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.441 4.679 -0.393 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.355 3.860 1.007 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -8.882 6.118 -0.538 1.00 0.00 C ATOM 0 H ILE A 109 -8.448 2.821 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.255 2.097 0.241 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.294 3.894 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.826 4.584 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.812 4.413 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.713 4.886 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.204 3.177 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.687 3.640 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.005 6.763 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.472 6.228 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.487 6.402 0.323 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.179 1.140 -0.988 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.310 0.246 -0.770 1.00 0.00 C ATOM 1731 C LYS A 110 -11.837 -1.191 -0.570 1.00 0.00 C ATOM 1732 O LYS A 110 -11.958 -1.750 0.520 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.278 0.316 -1.953 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.663 -0.221 -1.638 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.720 0.402 -2.535 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.225 1.720 -1.968 1.00 0.00 C ATOM 1737 NZ LYS A 110 -16.956 1.528 -0.684 1.00 0.00 N ATOM 0 H LYS A 110 -11.200 1.636 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.827 0.569 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.365 1.352 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.860 -0.247 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.671 -1.304 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.904 -0.018 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.304 0.568 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.555 -0.289 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -15.383 2.393 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.884 2.199 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.624 2.313 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.479 0.629 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.276 1.508 0.103 1.00 0.00 H new ATOM 1751 N THR A 111 -11.297 -1.784 -1.630 1.00 0.00 N ATOM 1752 CA THR A 111 -10.805 -3.154 -1.571 1.00 0.00 C ATOM 1753 C THR A 111 -10.058 -3.415 -0.269 1.00 0.00 C ATOM 1754 O THR A 111 -10.454 -4.270 0.524 1.00 0.00 O ATOM 1755 CB THR A 111 -9.873 -3.469 -2.757 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.572 -3.281 -3.993 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.354 -4.896 -2.673 1.00 0.00 C ATOM 0 H THR A 111 -11.189 -1.336 -2.540 1.00 0.00 H new ATOM 0 HA THR A 111 -11.678 -3.805 -1.622 1.00 0.00 H new ATOM 0 HB THR A 111 -9.023 -2.788 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.578 -2.329 -4.224 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.698 -5.095 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.797 -5.027 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.194 -5.590 -2.693 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.976 -2.675 -0.054 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.175 -2.825 1.154 1.00 0.00 C ATOM 1767 C ILE A 112 -9.040 -2.714 2.405 1.00 0.00 C ATOM 1768 O ILE A 112 -9.183 -3.676 3.159 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.055 -1.770 1.222 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.206 -1.813 -0.050 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.189 -1.996 2.452 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.606 -0.475 -0.422 1.00 0.00 C ATOM 0 H ILE A 112 -8.634 -1.965 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.726 -3.817 1.113 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.510 -0.782 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.403 -2.538 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.822 -2.168 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.402 -1.243 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.804 -1.920 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.740 -2.988 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.017 -0.581 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.404 0.248 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.963 -0.127 0.387 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.615 -1.535 2.617 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.468 -1.299 3.776 1.00 0.00 C ATOM 1786 C GLN A 113 -11.374 -2.497 4.038 1.00 0.00 C ATOM 1787 O GLN A 113 -11.583 -2.889 5.186 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.313 -0.041 3.566 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.576 1.248 3.891 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.505 2.346 4.371 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.556 2.076 4.953 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.122 3.594 4.129 1.00 0.00 N ATOM 0 H GLN A 113 -9.506 -0.729 2.002 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.826 -1.156 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.648 -0.007 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.206 -0.106 4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.827 1.050 4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.042 1.590 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.243 3.773 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.707 4.374 4.429 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.910 -3.073 2.967 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.795 -4.227 3.083 1.00 0.00 C ATOM 1803 C GLU A 114 -12.016 -5.470 3.502 1.00 0.00 C ATOM 1804 O GLU A 114 -12.429 -6.200 4.404 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.511 -4.483 1.756 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.588 -3.460 1.437 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.935 -3.828 2.027 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.961 -4.426 3.123 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.965 -3.517 1.392 1.00 0.00 O ATOM 0 H GLU A 114 -11.747 -2.760 2.010 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.537 -4.009 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.776 -4.487 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.961 -5.476 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.283 -2.486 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.683 -3.364 0.355 1.00 0.00 H new ATOM 1816 N SER A 115 -10.887 -5.705 2.841 1.00 0.00 N ATOM 1817 CA SER A 115 -10.052 -6.863 3.141 1.00 0.00 C ATOM 1818 C SER A 115 -9.618 -6.855 4.604 1.00 0.00 C ATOM 1819 O SER A 115 -9.635 -7.887 5.273 1.00 0.00 O ATOM 1820 CB SER A 115 -8.822 -6.879 2.232 1.00 0.00 C ATOM 1821 OG SER A 115 -9.104 -7.527 1.004 1.00 0.00 O ATOM 0 H SER A 115 -10.529 -5.109 2.094 1.00 0.00 H new ATOM 0 HA SER A 115 -10.641 -7.762 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.494 -5.857 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.000 -7.389 2.735 1.00 0.00 H new ATOM 0 HG SER A 115 -8.302 -7.523 0.440 1.00 0.00 H new ATOM 1827 N SER A 116 -9.230 -5.681 5.093 1.00 0.00 N ATOM 1828 CA SER A 116 -8.788 -5.538 6.475 1.00 0.00 C ATOM 1829 C SER A 116 -9.961 -5.199 7.389 1.00 0.00 C ATOM 1830 O SER A 116 -9.858 -4.329 8.253 1.00 0.00 O ATOM 1831 CB SER A 116 -7.715 -4.452 6.579 1.00 0.00 C ATOM 1832 OG SER A 116 -6.813 -4.726 7.638 1.00 0.00 O ATOM 0 H SER A 116 -9.213 -4.816 4.553 1.00 0.00 H new ATOM 0 HA SER A 116 -8.364 -6.490 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.168 -4.386 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.188 -3.483 6.741 1.00 0.00 H new ATOM 0 HG SER A 116 -6.255 -3.938 7.805 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.077 -5.892 7.190 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.272 -5.665 7.995 1.00 0.00 C ATOM 1840 C ASN A 117 -12.865 -6.987 8.474 1.00 0.00 C ATOM 1841 O ASN A 117 -13.311 -7.807 7.671 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.315 -4.888 7.189 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.364 -4.241 8.073 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.402 -4.837 8.362 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -14.097 -3.015 8.507 1.00 0.00 N ATOM 0 H ASN A 117 -11.179 -6.616 6.478 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.986 -5.078 8.868 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.816 -4.119 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.803 -5.562 6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -14.765 -2.529 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.224 -2.559 8.242 1.00 0.00 H new