USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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: B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 21 GLN : amide:sc= -6.37! C(o=-6.4!,f=-3.9!) USER MOD Set 2.1: B 14 ASN : amide:sc= -1.99 K(o=-3.2,f=-3.9) USER MOD Set 2.2: B 17 THR OG1 : rot -98:sc= -1.24 USER MOD Set 3.1: A 14 ASN : amide:sc= -3.72! X(o=-8.9!,f=-9.2) USER MOD Set 3.2: A 17 THR OG1 : rot -140:sc= -5.17! USER MOD Set 4.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 10 CYS SG : rot -84:sc= -9.1! USER MOD Set 4.3: B 10 CYS SG : rot 98:sc= -12.1! USER MOD Single : A 1 LYS N :NH3+ 150:sc= 0.0269 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -6.96! C(o=-7!,f=-4.5!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 154:sc= 0.0149 (180deg=-0.041) USER MOD Single : B 1 LYS NZ :NH3+ -161:sc= -0.0208 (180deg=-0.233) USER MOD Single : B 8 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0126) USER MOD Single : B 12 TYR OH : rot 13:sc= -2.06! USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.531 7.129 -15.052 1.00 0.00 N ATOM 2 CA LYS A 1 5.281 6.071 -14.032 1.00 0.00 C ATOM 3 C LYS A 1 6.586 5.399 -13.594 1.00 0.00 C ATOM 4 O LYS A 1 7.621 5.563 -14.244 1.00 0.00 O ATOM 5 CB LYS A 1 4.305 5.049 -14.617 1.00 0.00 C ATOM 6 CG LYS A 1 4.885 4.203 -15.743 1.00 0.00 C ATOM 7 CD LYS A 1 4.316 4.609 -17.094 1.00 0.00 C ATOM 8 CE LYS A 1 5.229 4.203 -18.232 1.00 0.00 C ATOM 9 NZ LYS A 1 4.533 3.339 -19.227 1.00 0.00 N ATOM 0 H1 LYS A 1 4.706 7.208 -15.680 1.00 0.00 H new ATOM 0 H2 LYS A 1 5.692 8.039 -14.576 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.370 6.879 -15.613 1.00 0.00 H new ATOM 0 HA LYS A 1 4.846 6.524 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.967 4.388 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.426 5.575 -14.989 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.970 4.308 -15.757 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.669 3.151 -15.557 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.338 4.148 -17.230 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.165 5.688 -17.116 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.607 5.096 -18.729 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.092 3.671 -17.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.194 3.084 -19.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.194 2.474 -18.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.724 3.855 -19.629 1.00 0.00 H new ATOM 25 N LEU A 2 6.548 4.681 -12.464 1.00 0.00 N ATOM 26 CA LEU A 2 7.739 4.049 -11.931 1.00 0.00 C ATOM 27 C LEU A 2 8.315 2.883 -12.777 1.00 0.00 C ATOM 28 O LEU A 2 7.669 2.292 -13.644 1.00 0.00 O ATOM 29 CB LEU A 2 7.569 3.706 -10.438 1.00 0.00 C ATOM 30 CG LEU A 2 7.242 2.283 -10.081 1.00 0.00 C ATOM 31 CD1 LEU A 2 6.614 2.225 -8.730 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.300 1.710 -11.045 1.00 0.00 C ATOM 0 H LEU A 2 5.704 4.530 -11.911 1.00 0.00 H new ATOM 0 HA LEU A 2 8.523 4.802 -12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.491 3.977 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.781 4.342 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 2 8.172 1.715 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.381 1.190 -8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.305 2.629 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.696 2.813 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.077 0.680 -10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.379 2.293 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.742 1.730 -12.041 1.00 0.00 H new ATOM 44 N PRO A 3 9.592 2.620 -12.477 1.00 0.00 N ATOM 45 CA PRO A 3 10.506 1.607 -13.072 1.00 0.00 C ATOM 46 C PRO A 3 10.274 0.171 -12.667 1.00 0.00 C ATOM 47 O PRO A 3 9.509 -0.135 -11.761 1.00 0.00 O ATOM 48 CB PRO A 3 11.868 1.977 -12.493 1.00 0.00 C ATOM 49 CG PRO A 3 11.680 3.289 -11.858 1.00 0.00 C ATOM 50 CD PRO A 3 10.259 3.367 -11.463 1.00 0.00 C ATOM 0 HA PRO A 3 10.377 1.636 -14.154 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.202 1.234 -11.768 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.627 2.024 -13.274 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.330 3.396 -10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.935 4.093 -12.548 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.093 2.939 -10.474 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.908 4.398 -11.427 1.00 0.00 H new ATOM 58 N PRO A 4 11.019 -0.721 -13.333 1.00 0.00 N ATOM 59 CA PRO A 4 11.036 -2.154 -13.077 1.00 0.00 C ATOM 60 C PRO A 4 11.397 -2.470 -11.664 1.00 0.00 C ATOM 61 O PRO A 4 11.977 -1.647 -10.950 1.00 0.00 O ATOM 62 CB PRO A 4 12.091 -2.629 -14.020 1.00 0.00 C ATOM 63 CG PRO A 4 11.986 -1.673 -15.102 1.00 0.00 C ATOM 64 CD PRO A 4 11.964 -0.409 -14.402 1.00 0.00 C ATOM 0 HA PRO A 4 10.064 -2.625 -13.221 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.080 -2.619 -13.563 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.906 -3.649 -14.358 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.830 -1.742 -15.788 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.082 -1.826 -15.692 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.946 -0.128 -14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.621 0.410 -15.034 1.00 0.00 H new ATOM 72 N GLY A 5 11.018 -3.654 -11.254 1.00 0.00 N ATOM 73 CA GLY A 5 11.265 -4.063 -9.906 1.00 0.00 C ATOM 74 C GLY A 5 10.284 -3.437 -8.924 1.00 0.00 C ATOM 75 O GLY A 5 9.948 -4.039 -7.904 1.00 0.00 O ATOM 0 H GLY A 5 10.541 -4.344 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.199 -5.149 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.282 -3.788 -9.626 1.00 0.00 H new ATOM 79 N TRP A 6 9.823 -2.222 -9.245 1.00 0.00 N ATOM 80 CA TRP A 6 8.885 -1.494 -8.423 1.00 0.00 C ATOM 81 C TRP A 6 7.499 -2.066 -8.575 1.00 0.00 C ATOM 82 O TRP A 6 7.047 -2.325 -9.693 1.00 0.00 O ATOM 83 CB TRP A 6 8.806 -0.044 -8.877 1.00 0.00 C ATOM 84 CG TRP A 6 9.713 0.915 -8.231 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.578 1.678 -8.884 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.822 1.259 -6.876 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.298 2.444 -8.024 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.844 2.200 -6.762 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.178 0.851 -5.754 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.219 2.729 -5.544 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.539 1.373 -4.558 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.540 2.285 -4.450 1.00 0.00 C ATOM 0 H TRP A 6 10.100 -1.724 -10.091 1.00 0.00 H new ATOM 0 HA TRP A 6 9.228 -1.568 -7.391 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.994 -0.016 -9.950 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.784 0.302 -8.723 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.695 1.689 -9.958 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.047 3.088 -8.278 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.387 0.118 -5.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.011 3.459 -5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.018 1.056 -3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.803 2.667 -3.475 1.00 0.00 H new ATOM 103 N GLU A 7 6.806 -2.211 -7.470 1.00 0.00 N ATOM 104 CA GLU A 7 5.447 -2.695 -7.513 1.00 0.00 C ATOM 105 C GLU A 7 4.630 -2.045 -6.427 1.00 0.00 C ATOM 106 O GLU A 7 4.786 -2.352 -5.244 1.00 0.00 O ATOM 107 CB GLU A 7 5.364 -4.211 -7.380 1.00 0.00 C ATOM 108 CG GLU A 7 6.257 -4.982 -8.345 1.00 0.00 C ATOM 109 CD GLU A 7 5.557 -5.325 -9.647 1.00 0.00 C ATOM 110 OE1 GLU A 7 5.174 -4.391 -10.384 1.00 0.00 O ATOM 111 OE2 GLU A 7 5.393 -6.530 -9.932 1.00 0.00 O ATOM 0 H GLU A 7 7.158 -2.002 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 7 5.045 -2.429 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.629 -4.488 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.331 -4.520 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.147 -4.391 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.594 -5.901 -7.866 1.00 0.00 H new ATOM 118 N LYS A 8 3.761 -1.141 -6.846 1.00 0.00 N ATOM 119 CA LYS A 8 2.896 -0.427 -5.915 1.00 0.00 C ATOM 120 C LYS A 8 2.230 -1.432 -4.959 1.00 0.00 C ATOM 121 O LYS A 8 1.740 -2.473 -5.404 1.00 0.00 O ATOM 122 CB LYS A 8 1.772 0.330 -6.674 1.00 0.00 C ATOM 123 CG LYS A 8 1.011 1.313 -5.786 1.00 0.00 C ATOM 124 CD LYS A 8 -0.065 2.071 -6.551 1.00 0.00 C ATOM 125 CE LYS A 8 -1.155 1.143 -7.065 1.00 0.00 C ATOM 126 NZ LYS A 8 -2.474 1.832 -7.154 1.00 0.00 N ATOM 0 H LYS A 8 3.634 -0.882 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 8 3.509 0.287 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.208 0.870 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.071 -0.393 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.552 0.771 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.713 2.024 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.508 2.827 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.389 2.598 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.876 0.764 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.240 0.281 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.190 1.166 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.753 2.171 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.400 2.640 -7.805 1.00 0.00 H new ATOM 140 N ARG A 9 2.198 -1.127 -3.661 1.00 0.00 N ATOM 141 CA ARG A 9 1.570 -2.028 -2.687 1.00 0.00 C ATOM 142 C ARG A 9 0.607 -1.269 -1.777 1.00 0.00 C ATOM 143 O ARG A 9 1.023 -0.688 -0.774 1.00 0.00 O ATOM 144 CB ARG A 9 2.632 -2.745 -1.844 1.00 0.00 C ATOM 145 CG ARG A 9 3.472 -3.738 -2.632 1.00 0.00 C ATOM 146 CD ARG A 9 4.471 -4.461 -1.740 1.00 0.00 C ATOM 147 NE ARG A 9 3.860 -5.073 -0.607 1.00 0.00 N ATOM 148 CZ ARG A 9 3.378 -6.297 -0.606 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.193 -6.985 -1.730 1.00 0.00 N ATOM 150 NH2 ARG A 9 3.084 -6.807 0.545 1.00 0.00 N ATOM 0 H ARG A 9 2.593 -0.276 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 9 1.003 -2.773 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.291 -2.001 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.140 -3.269 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.819 -4.467 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.005 -3.215 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.987 -5.223 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.227 -3.753 -1.401 1.00 0.00 H new ATOM 0 HE ARG A 9 3.793 -4.530 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.427 -6.565 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.817 -7.932 -1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.229 -6.263 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.707 -7.753 0.602 1.00 0.00 H new ATOM 164 N CYS A 10 -0.682 -1.277 -2.134 1.00 0.00 N ATOM 165 CA CYS A 10 -1.700 -0.580 -1.343 1.00 0.00 C ATOM 166 C CYS A 10 -2.563 -1.552 -0.548 1.00 0.00 C ATOM 167 O CYS A 10 -3.481 -2.174 -1.087 1.00 0.00 O ATOM 168 CB CYS A 10 -2.592 0.295 -2.234 1.00 0.00 C ATOM 169 SG CYS A 10 -1.808 0.824 -3.792 1.00 0.00 S ATOM 0 H CYS A 10 -1.043 -1.755 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.167 0.059 -0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.503 -0.256 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.890 1.180 -1.672 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.085 1.883 -3.576 1.00 0.00 H new ATOM 174 N PHE A 11 -2.276 -1.651 0.749 1.00 0.00 N ATOM 175 CA PHE A 11 -3.038 -2.514 1.639 1.00 0.00 C ATOM 176 C PHE A 11 -3.819 -1.669 2.641 1.00 0.00 C ATOM 177 O PHE A 11 -3.311 -0.666 3.149 1.00 0.00 O ATOM 178 CB PHE A 11 -2.122 -3.490 2.403 1.00 0.00 C ATOM 179 CG PHE A 11 -1.186 -2.816 3.368 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.638 -2.406 4.615 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.140 -2.594 3.033 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.784 -1.787 5.507 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.998 -1.975 3.922 1.00 0.00 C ATOM 184 CZ PHE A 11 0.536 -1.571 5.159 1.00 0.00 C ATOM 0 H PHE A 11 -1.519 -1.141 1.204 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.725 -3.097 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.741 -4.202 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.537 -4.063 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.669 -2.573 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.507 -2.908 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.147 -1.472 6.474 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.029 -1.807 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.206 -1.087 5.854 1.00 0.00 H new ATOM 194 N TYR A 12 -5.030 -2.098 2.956 1.00 0.00 N ATOM 195 CA TYR A 12 -5.845 -1.411 3.936 1.00 0.00 C ATOM 196 C TYR A 12 -5.518 -1.993 5.295 1.00 0.00 C ATOM 197 O TYR A 12 -5.351 -3.209 5.413 1.00 0.00 O ATOM 198 CB TYR A 12 -7.339 -1.588 3.641 1.00 0.00 C ATOM 199 CG TYR A 12 -7.861 -0.505 2.728 1.00 0.00 C ATOM 200 CD1 TYR A 12 -7.809 -0.649 1.347 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.386 0.673 3.233 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.262 0.319 0.508 1.00 0.00 C ATOM 203 CE2 TYR A 12 -8.835 1.647 2.405 1.00 0.00 C ATOM 204 CZ TYR A 12 -8.780 1.482 1.035 1.00 0.00 C ATOM 205 OH TYR A 12 -9.236 2.476 0.199 1.00 0.00 O ATOM 0 H TYR A 12 -5.469 -2.922 2.544 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.630 -0.343 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.506 -2.562 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.898 -1.576 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.397 -1.556 0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.438 0.817 4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.216 0.178 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.239 2.559 2.819 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.569 3.226 0.734 1.00 0.00 H new ATOM 215 N PHE A 13 -5.440 -1.160 6.321 1.00 0.00 N ATOM 216 CA PHE A 13 -5.166 -1.675 7.656 1.00 0.00 C ATOM 217 C PHE A 13 -6.346 -1.405 8.533 1.00 0.00 C ATOM 218 O PHE A 13 -6.732 -0.255 8.742 1.00 0.00 O ATOM 219 CB PHE A 13 -3.916 -1.083 8.287 1.00 0.00 C ATOM 220 CG PHE A 13 -3.426 -1.917 9.439 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.755 -3.093 9.191 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.625 -1.529 10.761 1.00 0.00 C ATOM 223 CE1 PHE A 13 -2.289 -3.873 10.220 1.00 0.00 C ATOM 224 CE2 PHE A 13 -3.156 -2.297 11.801 1.00 0.00 C ATOM 225 CZ PHE A 13 -2.484 -3.475 11.533 1.00 0.00 C ATOM 0 H PHE A 13 -5.559 -0.149 6.261 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.986 -2.745 7.557 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.131 -1.004 7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.128 -0.072 8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.593 -3.407 8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.155 -0.612 10.973 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.771 -4.796 10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.312 -1.981 12.822 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.112 -4.083 12.344 1.00 0.00 H new ATOM 235 N ASN A 14 -6.921 -2.474 9.037 1.00 0.00 N ATOM 236 CA ASN A 14 -8.070 -2.356 9.879 1.00 0.00 C ATOM 237 C ASN A 14 -7.607 -2.356 11.315 1.00 0.00 C ATOM 238 O ASN A 14 -7.774 -3.344 12.004 1.00 0.00 O ATOM 239 CB ASN A 14 -9.047 -3.513 9.629 1.00 0.00 C ATOM 240 CG ASN A 14 -10.463 -3.255 10.125 1.00 0.00 C ATOM 241 OD1 ASN A 14 -11.180 -4.187 10.484 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.877 -2.001 10.138 1.00 0.00 N ATOM 0 H ASN A 14 -6.605 -3.430 8.873 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.596 -1.428 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.081 -3.720 8.559 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.662 -4.410 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.821 -1.779 10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.253 -1.255 9.832 1.00 0.00 H new ATOM 249 N ARG A 15 -6.973 -1.262 11.735 1.00 0.00 N ATOM 250 CA ARG A 15 -6.417 -1.148 13.087 1.00 0.00 C ATOM 251 C ARG A 15 -7.332 -1.736 14.174 1.00 0.00 C ATOM 252 O ARG A 15 -6.828 -2.138 15.226 1.00 0.00 O ATOM 253 CB ARG A 15 -5.986 0.295 13.401 1.00 0.00 C ATOM 254 CG ARG A 15 -6.379 0.791 14.786 1.00 0.00 C ATOM 255 CD ARG A 15 -5.376 1.805 15.322 1.00 0.00 C ATOM 256 NE ARG A 15 -4.126 1.170 15.744 1.00 0.00 N ATOM 257 CZ ARG A 15 -3.980 0.476 16.877 1.00 0.00 C ATOM 258 NH1 ARG A 15 -5.003 0.321 17.715 1.00 0.00 N ATOM 259 NH2 ARG A 15 -2.803 -0.066 17.174 1.00 0.00 N ATOM 0 H ARG A 15 -6.830 -0.435 11.155 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.519 -1.766 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.903 0.366 13.298 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.421 0.960 12.655 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.369 1.245 14.744 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.445 -0.054 15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.164 2.547 14.552 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.815 2.338 16.166 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.314 1.263 15.134 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.909 0.734 17.495 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.880 -0.211 18.577 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.014 0.048 16.538 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.689 -0.596 18.038 1.00 0.00 H new ATOM 273 N ILE A 16 -8.647 -1.879 13.921 1.00 0.00 N ATOM 274 CA ILE A 16 -9.506 -2.499 14.865 1.00 0.00 C ATOM 275 C ILE A 16 -9.095 -3.941 15.000 1.00 0.00 C ATOM 276 O ILE A 16 -8.825 -4.457 16.085 1.00 0.00 O ATOM 277 CB ILE A 16 -10.917 -2.450 14.374 1.00 0.00 C ATOM 278 CG1 ILE A 16 -11.484 -1.046 14.535 1.00 0.00 C ATOM 279 CG2 ILE A 16 -11.677 -3.470 15.153 1.00 0.00 C ATOM 280 CD1 ILE A 16 -10.595 -0.030 15.233 1.00 0.00 C ATOM 0 H ILE A 16 -9.106 -1.565 13.066 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.437 -1.982 15.822 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.986 -2.678 13.310 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.729 -0.662 13.545 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.420 -1.118 15.089 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.718 -3.473 14.830 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.242 -4.455 14.984 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.627 -3.228 16.215 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.110 0.929 15.286 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.369 -0.376 16.241 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.667 0.087 14.673 1.00 0.00 H new ATOM 292 N THR A 17 -9.014 -4.546 13.834 1.00 0.00 N ATOM 293 CA THR A 17 -8.599 -5.902 13.671 1.00 0.00 C ATOM 294 C THR A 17 -7.116 -5.946 13.415 1.00 0.00 C ATOM 295 O THR A 17 -6.562 -6.999 13.095 1.00 0.00 O ATOM 296 CB THR A 17 -9.399 -6.496 12.534 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.936 -6.034 11.277 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.844 -6.122 12.701 1.00 0.00 C ATOM 0 H THR A 17 -9.244 -4.084 12.954 1.00 0.00 H new ATOM 0 HA THR A 17 -8.783 -6.490 14.570 1.00 0.00 H new ATOM 0 HB THR A 17 -9.280 -7.579 12.561 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.701 -5.862 10.690 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.427 -6.547 11.884 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.213 -6.510 13.650 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.942 -5.037 12.690 1.00 0.00 H new ATOM 306 N GLY A 18 -6.508 -4.745 13.512 1.00 0.00 N ATOM 307 CA GLY A 18 -5.106 -4.540 13.211 1.00 0.00 C ATOM 308 C GLY A 18 -4.648 -5.502 12.146 1.00 0.00 C ATOM 309 O GLY A 18 -3.512 -5.979 12.155 1.00 0.00 O ATOM 0 H GLY A 18 -6.993 -3.896 13.804 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.946 -3.515 12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.511 -4.677 14.114 1.00 0.00 H new ATOM 313 N LYS A 19 -5.579 -5.807 11.238 1.00 0.00 N ATOM 314 CA LYS A 19 -5.330 -6.728 10.168 1.00 0.00 C ATOM 315 C LYS A 19 -5.240 -5.993 8.847 1.00 0.00 C ATOM 316 O LYS A 19 -5.655 -4.839 8.732 1.00 0.00 O ATOM 317 CB LYS A 19 -6.393 -7.819 10.157 1.00 0.00 C ATOM 318 CG LYS A 19 -7.496 -7.563 9.171 1.00 0.00 C ATOM 319 CD LYS A 19 -8.043 -8.853 8.579 1.00 0.00 C ATOM 320 CE LYS A 19 -7.195 -9.337 7.412 1.00 0.00 C ATOM 321 NZ LYS A 19 -7.418 -10.781 7.123 1.00 0.00 N ATOM 0 H LYS A 19 -6.520 -5.414 11.239 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.368 -7.216 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.921 -8.774 9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.821 -7.910 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.303 -7.019 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.124 -6.925 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.075 -9.623 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.068 -8.694 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.430 -8.749 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.141 -9.170 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.822 -11.071 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.170 -11.345 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.418 -10.937 6.884 1.00 0.00 H new ATOM 335 N ARG A 20 -4.649 -6.651 7.870 1.00 0.00 N ATOM 336 CA ARG A 20 -4.449 -6.038 6.570 1.00 0.00 C ATOM 337 C ARG A 20 -5.039 -6.816 5.414 1.00 0.00 C ATOM 338 O ARG A 20 -5.100 -8.047 5.419 1.00 0.00 O ATOM 339 CB ARG A 20 -2.954 -5.843 6.328 1.00 0.00 C ATOM 340 CG ARG A 20 -2.218 -7.117 5.932 1.00 0.00 C ATOM 341 CD ARG A 20 -0.875 -6.806 5.289 1.00 0.00 C ATOM 342 NE ARG A 20 -0.676 -7.557 4.047 1.00 0.00 N ATOM 343 CZ ARG A 20 0.336 -8.405 3.826 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.259 -8.630 4.761 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.424 -9.036 2.660 1.00 0.00 N ATOM 0 H ARG A 20 -4.300 -7.606 7.949 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.980 -5.087 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.818 -5.098 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.500 -5.440 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.065 -7.740 6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.831 -7.692 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.811 -5.738 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.074 -7.043 5.989 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.356 -7.425 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.200 -8.153 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.024 -9.279 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.278 -8.873 1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.193 -9.683 2.487 1.00 0.00 H new ATOM 359 N GLN A 21 -5.430 -6.054 4.403 1.00 0.00 N ATOM 360 CA GLN A 21 -5.975 -6.593 3.182 1.00 0.00 C ATOM 361 C GLN A 21 -5.584 -5.687 2.028 1.00 0.00 C ATOM 362 O GLN A 21 -5.488 -4.477 2.207 1.00 0.00 O ATOM 363 CB GLN A 21 -7.484 -6.683 3.234 1.00 0.00 C ATOM 364 CG GLN A 21 -8.093 -6.042 4.441 1.00 0.00 C ATOM 365 CD GLN A 21 -9.573 -6.305 4.566 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.998 -7.137 5.367 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.370 -5.605 3.781 1.00 0.00 N ATOM 0 H GLN A 21 -5.374 -5.036 4.415 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.575 -7.598 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.896 -6.215 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.776 -7.733 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.588 -6.409 5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.923 -4.966 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.976 -4.925 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.380 -5.744 3.825 1.00 0.00 H new ATOM 376 N PHE A 22 -5.411 -6.240 0.839 1.00 0.00 N ATOM 377 CA PHE A 22 -5.089 -5.412 -0.327 1.00 0.00 C ATOM 378 C PHE A 22 -6.392 -4.893 -0.938 1.00 0.00 C ATOM 379 O PHE A 22 -6.573 -4.886 -2.158 1.00 0.00 O ATOM 380 CB PHE A 22 -4.323 -6.222 -1.364 1.00 0.00 C ATOM 381 CG PHE A 22 -2.870 -6.412 -1.034 1.00 0.00 C ATOM 382 CD1 PHE A 22 -1.996 -5.338 -1.038 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.376 -7.666 -0.717 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.668 -5.511 -0.735 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.049 -7.841 -0.414 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.198 -6.763 -0.423 1.00 0.00 C ATOM 0 H PHE A 22 -5.485 -7.240 0.650 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.463 -4.577 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.793 -7.200 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.404 -5.726 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.363 -4.352 -1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.042 -8.516 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.004 -4.666 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.675 -8.824 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.846 -6.901 -0.183 1.00 0.00 H new ATOM 396 N GLU A 23 -7.319 -4.526 -0.059 1.00 0.00 N ATOM 397 CA GLU A 23 -8.638 -4.080 -0.448 1.00 0.00 C ATOM 398 C GLU A 23 -9.168 -2.967 0.379 1.00 0.00 C ATOM 399 O GLU A 23 -8.943 -2.912 1.583 1.00 0.00 O ATOM 400 CB GLU A 23 -9.611 -5.231 -0.250 1.00 0.00 C ATOM 401 CG GLU A 23 -10.846 -4.844 0.562 1.00 0.00 C ATOM 402 CD GLU A 23 -11.798 -6.002 0.798 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.348 -7.051 1.307 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.996 -5.859 0.475 1.00 0.00 O ATOM 0 H GLU A 23 -7.168 -4.532 0.950 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.547 -3.739 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.927 -5.602 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.097 -6.051 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.528 -4.443 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.377 -4.046 0.044 1.00 0.00 H new ATOM 411 N ARG A 24 -10.024 -2.202 -0.278 1.00 0.00 N ATOM 412 CA ARG A 24 -10.779 -1.177 0.365 1.00 0.00 C ATOM 413 C ARG A 24 -11.989 -1.887 0.936 1.00 0.00 C ATOM 414 O ARG A 24 -12.885 -2.328 0.213 1.00 0.00 O ATOM 415 CB ARG A 24 -11.138 -0.088 -0.610 1.00 0.00 C ATOM 416 CG ARG A 24 -12.023 0.950 -0.005 1.00 0.00 C ATOM 417 CD ARG A 24 -12.030 2.211 -0.842 1.00 0.00 C ATOM 418 NE ARG A 24 -12.153 3.414 -0.029 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.271 3.788 0.600 1.00 0.00 C ATOM 420 NH1 ARG A 24 -14.380 3.058 0.505 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.281 4.900 1.325 1.00 0.00 N ATOM 0 H ARG A 24 -10.205 -2.287 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.224 -0.670 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.226 0.384 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.637 -0.528 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.038 0.562 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.682 1.181 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.111 2.262 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.856 2.169 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.331 4.010 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.382 2.204 -0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.228 3.353 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.436 5.467 1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.133 5.188 1.806 1.00 0.00 H new ATOM 435 N PRO A 25 -11.964 -2.064 2.249 1.00 0.00 N ATOM 436 CA PRO A 25 -12.986 -2.798 2.998 1.00 0.00 C ATOM 437 C PRO A 25 -14.316 -2.120 3.052 1.00 0.00 C ATOM 438 O PRO A 25 -14.423 -0.893 3.002 1.00 0.00 O ATOM 439 CB PRO A 25 -12.414 -2.915 4.378 1.00 0.00 C ATOM 440 CG PRO A 25 -10.985 -2.546 4.250 1.00 0.00 C ATOM 441 CD PRO A 25 -10.898 -1.585 3.121 1.00 0.00 C ATOM 0 HA PRO A 25 -13.192 -3.752 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.929 -2.252 5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.524 -3.929 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.616 -2.096 5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.372 -3.427 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.063 -0.557 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.924 -1.613 2.632 1.00 0.00 H new ATOM 449 N SER A 26 -15.333 -2.951 3.155 1.00 0.00 N ATOM 450 CA SER A 26 -16.669 -2.480 3.219 1.00 0.00 C ATOM 451 C SER A 26 -16.977 -1.831 4.521 1.00 0.00 C ATOM 452 O SER A 26 -16.523 -2.217 5.599 1.00 0.00 O ATOM 453 CB SER A 26 -17.685 -3.544 2.933 1.00 0.00 C ATOM 454 OG SER A 26 -17.866 -4.414 4.040 1.00 0.00 O ATOM 0 H SER A 26 -15.240 -3.966 3.195 1.00 0.00 H new ATOM 0 HA SER A 26 -16.740 -1.732 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.637 -3.078 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.370 -4.122 2.064 1.00 0.00 H new ATOM 0 HG SER A 26 -18.537 -5.093 3.816 1.00 0.00 H new ATOM 460 N ASP A 27 -17.760 -0.829 4.338 1.00 0.00 N ATOM 461 CA ASP A 27 -18.240 0.036 5.371 1.00 0.00 C ATOM 462 C ASP A 27 -18.928 -0.723 6.512 1.00 0.00 C ATOM 463 O ASP A 27 -18.748 -0.318 7.679 1.00 0.00 O ATOM 464 CB ASP A 27 -19.150 1.052 4.720 1.00 0.00 C ATOM 465 CG ASP A 27 -20.600 0.970 5.167 1.00 0.00 C ATOM 466 OD1 ASP A 27 -20.954 1.639 6.162 1.00 0.00 O ATOM 467 OD2 ASP A 27 -21.380 0.238 4.523 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.639 -1.712 6.228 1.00 0.00 O ATOM 0 H ASP A 27 -18.106 -0.571 3.414 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.400 0.538 5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.772 2.051 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.107 0.921 3.639 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -16.859 6.825 3.292 1.00 0.00 N ATOM 475 CA LYS B 1 -15.437 6.630 3.694 1.00 0.00 C ATOM 476 C LYS B 1 -15.222 5.265 4.352 1.00 0.00 C ATOM 477 O LYS B 1 -16.183 4.574 4.696 1.00 0.00 O ATOM 478 CB LYS B 1 -15.035 7.756 4.657 1.00 0.00 C ATOM 479 CG LYS B 1 -15.871 7.814 5.928 1.00 0.00 C ATOM 480 CD LYS B 1 -16.806 9.015 5.930 1.00 0.00 C ATOM 481 CE LYS B 1 -18.038 8.763 6.774 1.00 0.00 C ATOM 482 NZ LYS B 1 -18.959 7.777 6.142 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.077 7.842 3.269 1.00 0.00 H new ATOM 0 H2 LYS B 1 -17.012 6.417 2.348 1.00 0.00 H new ATOM 0 H3 LYS B 1 -17.482 6.353 3.978 1.00 0.00 H new ATOM 0 HA LYS B 1 -14.812 6.661 2.802 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -13.987 7.630 4.929 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -15.117 8.711 4.137 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -16.454 6.898 6.022 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -15.213 7.863 6.795 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -16.276 9.888 6.311 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -17.106 9.245 4.908 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -17.736 8.398 7.756 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -18.567 9.703 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -19.906 7.868 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -19.015 7.960 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -18.600 6.814 6.302 1.00 0.00 H new ATOM 498 N LEU B 2 -13.952 4.885 4.516 1.00 0.00 N ATOM 499 CA LEU B 2 -13.587 3.614 5.123 1.00 0.00 C ATOM 500 C LEU B 2 -14.301 3.321 6.433 1.00 0.00 C ATOM 501 O LEU B 2 -14.622 4.219 7.214 1.00 0.00 O ATOM 502 CB LEU B 2 -12.119 3.618 5.444 1.00 0.00 C ATOM 503 CG LEU B 2 -11.167 3.347 4.300 1.00 0.00 C ATOM 504 CD1 LEU B 2 -9.768 3.519 4.813 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.341 1.948 3.758 1.00 0.00 C ATOM 0 H LEU B 2 -13.154 5.452 4.231 1.00 0.00 H new ATOM 0 HA LEU B 2 -13.871 2.856 4.393 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -11.868 4.589 5.871 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -11.939 2.873 6.219 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.374 4.043 3.487 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.059 3.329 4.007 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -9.637 4.537 5.179 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.590 2.816 5.626 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -10.642 1.786 2.937 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.145 1.224 4.549 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.361 1.822 3.396 1.00 0.00 H new ATOM 517 N PRO B 3 -14.461 2.022 6.706 1.00 0.00 N ATOM 518 CA PRO B 3 -15.032 1.505 7.948 1.00 0.00 C ATOM 519 C PRO B 3 -14.092 1.765 9.096 1.00 0.00 C ATOM 520 O PRO B 3 -12.900 2.001 8.897 1.00 0.00 O ATOM 521 CB PRO B 3 -15.153 0.010 7.722 1.00 0.00 C ATOM 522 CG PRO B 3 -14.924 -0.163 6.267 1.00 0.00 C ATOM 523 CD PRO B 3 -14.020 0.940 5.845 1.00 0.00 C ATOM 0 HA PRO B 3 -15.986 1.974 8.190 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.418 -0.541 8.308 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -16.136 -0.358 8.016 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.474 -1.134 6.058 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.866 -0.123 5.719 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -12.970 0.693 6.002 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.135 1.183 4.789 1.00 0.00 H new ATOM 531 N PRO B 4 -14.611 1.735 10.309 1.00 0.00 N ATOM 532 CA PRO B 4 -13.840 1.969 11.509 1.00 0.00 C ATOM 533 C PRO B 4 -12.557 1.199 11.579 1.00 0.00 C ATOM 534 O PRO B 4 -12.455 0.053 11.137 1.00 0.00 O ATOM 535 CB PRO B 4 -14.800 1.569 12.563 1.00 0.00 C ATOM 536 CG PRO B 4 -16.064 2.011 11.996 1.00 0.00 C ATOM 537 CD PRO B 4 -16.009 1.483 10.646 1.00 0.00 C ATOM 0 HA PRO B 4 -13.487 2.997 11.587 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.786 0.494 12.742 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.587 2.054 13.516 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.916 1.618 12.550 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -16.153 3.097 12.003 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -16.259 0.423 10.607 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.695 1.997 9.973 1.00 0.00 H new ATOM 545 N GLY B 5 -11.581 1.871 12.147 1.00 0.00 N ATOM 546 CA GLY B 5 -10.272 1.309 12.303 1.00 0.00 C ATOM 547 C GLY B 5 -9.496 1.116 10.996 1.00 0.00 C ATOM 548 O GLY B 5 -8.311 0.800 11.041 1.00 0.00 O ATOM 0 H GLY B 5 -11.679 2.819 12.511 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.691 1.954 12.962 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -10.363 0.344 12.801 1.00 0.00 H new ATOM 552 N TRP B 6 -10.143 1.286 9.830 1.00 0.00 N ATOM 553 CA TRP B 6 -9.464 1.093 8.553 1.00 0.00 C ATOM 554 C TRP B 6 -8.741 2.339 8.085 1.00 0.00 C ATOM 555 O TRP B 6 -9.211 3.462 8.279 1.00 0.00 O ATOM 556 CB TRP B 6 -10.459 0.733 7.460 1.00 0.00 C ATOM 557 CG TRP B 6 -10.788 -0.694 7.321 1.00 0.00 C ATOM 558 CD1 TRP B 6 -12.018 -1.191 7.386 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.935 -1.776 7.032 1.00 0.00 C ATOM 560 NE1 TRP B 6 -12.011 -2.538 7.246 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.734 -2.932 7.002 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.584 -1.899 6.809 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -10.197 -4.185 6.747 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -8.058 -3.134 6.556 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.845 -4.252 6.525 1.00 0.00 C ATOM 0 H TRP B 6 -11.124 1.554 9.753 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.746 0.290 8.723 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.383 1.280 7.645 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.064 1.087 6.508 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.909 -0.598 7.532 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.824 -3.151 7.312 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.945 -1.028 6.834 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.816 -5.069 6.724 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.997 -3.230 6.377 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.391 -5.211 6.321 1.00 0.00 H new ATOM 576 N GLU B 7 -7.630 2.114 7.407 1.00 0.00 N ATOM 577 CA GLU B 7 -6.846 3.190 6.822 1.00 0.00 C ATOM 578 C GLU B 7 -6.120 2.671 5.590 1.00 0.00 C ATOM 579 O GLU B 7 -5.405 1.669 5.657 1.00 0.00 O ATOM 580 CB GLU B 7 -5.843 3.774 7.829 1.00 0.00 C ATOM 581 CG GLU B 7 -6.483 4.520 8.994 1.00 0.00 C ATOM 582 CD GLU B 7 -6.961 5.909 8.611 1.00 0.00 C ATOM 583 OE1 GLU B 7 -8.005 6.015 7.932 1.00 0.00 O ATOM 584 OE2 GLU B 7 -6.291 6.892 8.991 1.00 0.00 O ATOM 0 H GLU B 7 -7.245 1.183 7.246 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.524 3.995 6.538 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.230 2.964 8.225 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.172 4.453 7.303 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.326 3.941 9.371 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.763 4.600 9.808 1.00 0.00 H new ATOM 591 N LYS B 8 -6.315 3.349 4.462 1.00 0.00 N ATOM 592 CA LYS B 8 -5.684 2.940 3.217 1.00 0.00 C ATOM 593 C LYS B 8 -4.220 3.390 3.201 1.00 0.00 C ATOM 594 O LYS B 8 -3.928 4.582 3.322 1.00 0.00 O ATOM 595 CB LYS B 8 -6.422 3.550 1.995 1.00 0.00 C ATOM 596 CG LYS B 8 -6.015 2.916 0.667 1.00 0.00 C ATOM 597 CD LYS B 8 -6.165 3.896 -0.486 1.00 0.00 C ATOM 598 CE LYS B 8 -5.905 3.227 -1.828 1.00 0.00 C ATOM 599 NZ LYS B 8 -4.517 3.472 -2.314 1.00 0.00 N ATOM 0 H LYS B 8 -6.902 4.180 4.387 1.00 0.00 H new ATOM 0 HA LYS B 8 -5.736 1.853 3.151 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.497 3.432 2.132 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.222 4.621 1.955 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -4.981 2.577 0.726 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -6.629 2.035 0.480 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -7.170 4.317 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -5.471 4.725 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.073 2.154 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -6.618 3.600 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -4.371 2.971 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -4.375 4.492 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -3.836 3.124 -1.609 1.00 0.00 H new ATOM 613 N ARG B 9 -3.311 2.433 3.045 1.00 0.00 N ATOM 614 CA ARG B 9 -1.877 2.726 3.002 1.00 0.00 C ATOM 615 C ARG B 9 -1.235 2.027 1.809 1.00 0.00 C ATOM 616 O ARG B 9 -1.519 0.858 1.550 1.00 0.00 O ATOM 617 CB ARG B 9 -1.200 2.282 4.302 1.00 0.00 C ATOM 618 CG ARG B 9 -0.920 3.429 5.263 1.00 0.00 C ATOM 619 CD ARG B 9 0.523 3.420 5.741 1.00 0.00 C ATOM 620 NE ARG B 9 0.919 2.156 6.266 1.00 0.00 N ATOM 621 CZ ARG B 9 0.795 1.813 7.529 1.00 0.00 C ATOM 622 NH1 ARG B 9 0.093 2.541 8.395 1.00 0.00 N ATOM 623 NH2 ARG B 9 1.387 0.725 7.897 1.00 0.00 N ATOM 0 H ARG B 9 -3.540 1.444 2.946 1.00 0.00 H new ATOM 0 HA ARG B 9 -1.745 3.803 2.893 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.833 1.548 4.800 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.261 1.783 4.061 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.135 4.377 4.771 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.588 3.357 6.121 1.00 0.00 H new ATOM 0 HD2 ARG B 9 1.178 3.686 4.911 1.00 0.00 H new ATOM 0 HD3 ARG B 9 0.653 4.184 6.507 1.00 0.00 H new ATOM 0 HE ARG B 9 1.323 1.476 5.623 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.370 3.395 8.085 1.00 0.00 H new ATOM 0 HH12 ARG B 9 0.018 2.244 9.368 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.918 0.179 7.219 1.00 0.00 H new ATOM 0 HH22 ARG B 9 1.323 0.412 8.866 1.00 0.00 H new ATOM 637 N CYS B 10 -0.387 2.745 1.069 1.00 0.00 N ATOM 638 CA CYS B 10 0.251 2.158 -0.108 1.00 0.00 C ATOM 639 C CYS B 10 1.706 2.574 -0.280 1.00 0.00 C ATOM 640 O CYS B 10 1.999 3.728 -0.598 1.00 0.00 O ATOM 641 CB CYS B 10 -0.531 2.541 -1.370 1.00 0.00 C ATOM 642 SG CYS B 10 0.226 1.973 -2.925 1.00 0.00 S ATOM 0 H CYS B 10 -0.131 3.714 1.259 1.00 0.00 H new ATOM 0 HA CYS B 10 0.241 1.079 0.045 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.537 2.129 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.633 3.626 -1.405 1.00 0.00 H new ATOM 0 HG CYS B 10 -0.347 0.871 -3.309 1.00 0.00 H new ATOM 647 N PHE B 11 2.609 1.603 -0.128 1.00 0.00 N ATOM 648 CA PHE B 11 4.030 1.847 -0.330 1.00 0.00 C ATOM 649 C PHE B 11 4.505 1.062 -1.552 1.00 0.00 C ATOM 650 O PHE B 11 4.242 -0.135 -1.674 1.00 0.00 O ATOM 651 CB PHE B 11 4.880 1.461 0.903 1.00 0.00 C ATOM 652 CG PHE B 11 4.996 -0.016 1.142 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.879 -0.778 0.379 1.00 0.00 C ATOM 654 CD2 PHE B 11 4.244 -0.646 2.130 1.00 0.00 C ATOM 655 CE1 PHE B 11 6.008 -2.143 0.596 1.00 0.00 C ATOM 656 CE2 PHE B 11 4.368 -2.012 2.351 1.00 0.00 C ATOM 657 CZ PHE B 11 5.251 -2.761 1.583 1.00 0.00 C ATOM 0 H PHE B 11 2.378 0.645 0.134 1.00 0.00 H new ATOM 0 HA PHE B 11 4.163 2.917 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.881 1.876 0.783 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.446 1.926 1.788 1.00 0.00 H new ATOM 0 HD1 PHE B 11 6.469 -0.301 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE B 11 3.558 -0.067 2.730 1.00 0.00 H new ATOM 0 HE1 PHE B 11 6.696 -2.723 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE B 11 3.779 -2.491 3.119 1.00 0.00 H new ATOM 0 HZ PHE B 11 5.349 -3.823 1.753 1.00 0.00 H new ATOM 667 N TYR B 12 5.228 1.726 -2.434 1.00 0.00 N ATOM 668 CA TYR B 12 5.777 1.080 -3.610 1.00 0.00 C ATOM 669 C TYR B 12 6.987 0.288 -3.170 1.00 0.00 C ATOM 670 O TYR B 12 7.718 0.734 -2.286 1.00 0.00 O ATOM 671 CB TYR B 12 6.201 2.107 -4.664 1.00 0.00 C ATOM 672 CG TYR B 12 5.112 2.350 -5.686 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.123 3.310 -5.480 1.00 0.00 C ATOM 674 CD2 TYR B 12 5.073 1.633 -6.871 1.00 0.00 C ATOM 675 CE1 TYR B 12 3.143 3.541 -6.414 1.00 0.00 C ATOM 676 CE2 TYR B 12 4.107 1.849 -7.814 1.00 0.00 C ATOM 677 CZ TYR B 12 3.131 2.807 -7.588 1.00 0.00 C ATOM 678 OH TYR B 12 2.144 3.025 -8.516 1.00 0.00 O ATOM 0 H TYR B 12 5.449 2.719 -2.357 1.00 0.00 H new ATOM 0 HA TYR B 12 5.019 0.438 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.455 3.047 -4.174 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.102 1.758 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.127 3.885 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR B 12 5.827 0.882 -7.055 1.00 0.00 H new ATOM 0 HE1 TYR B 12 2.386 4.290 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR B 12 4.104 1.277 -8.730 1.00 0.00 H new ATOM 0 HH TYR B 12 1.666 3.852 -8.297 1.00 0.00 H new ATOM 688 N PHE B 13 7.222 -0.862 -3.772 1.00 0.00 N ATOM 689 CA PHE B 13 8.394 -1.645 -3.408 1.00 0.00 C ATOM 690 C PHE B 13 9.225 -1.905 -4.630 1.00 0.00 C ATOM 691 O PHE B 13 8.788 -2.576 -5.565 1.00 0.00 O ATOM 692 CB PHE B 13 8.037 -2.962 -2.738 1.00 0.00 C ATOM 693 CG PHE B 13 9.208 -3.559 -2.010 1.00 0.00 C ATOM 694 CD1 PHE B 13 9.575 -3.059 -0.774 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.936 -4.623 -2.546 1.00 0.00 C ATOM 696 CE1 PHE B 13 10.639 -3.595 -0.077 1.00 0.00 C ATOM 697 CE2 PHE B 13 10.999 -5.176 -1.856 1.00 0.00 C ATOM 698 CZ PHE B 13 11.355 -4.662 -0.614 1.00 0.00 C ATOM 0 H PHE B 13 6.634 -1.270 -4.499 1.00 0.00 H new ATOM 0 HA PHE B 13 8.960 -1.061 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE B 13 7.218 -2.802 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE B 13 7.680 -3.666 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE B 13 9.020 -2.236 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE B 13 9.665 -5.020 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE B 13 10.916 -3.187 0.884 1.00 0.00 H new ATOM 0 HE2 PHE B 13 11.550 -6.003 -2.279 1.00 0.00 H new ATOM 0 HZ PHE B 13 12.183 -5.089 -0.068 1.00 0.00 H new ATOM 708 N ASN B 14 10.432 -1.375 -4.611 1.00 0.00 N ATOM 709 CA ASN B 14 11.331 -1.552 -5.719 1.00 0.00 C ATOM 710 C ASN B 14 12.129 -2.809 -5.477 1.00 0.00 C ATOM 711 O ASN B 14 13.302 -2.736 -5.156 1.00 0.00 O ATOM 712 CB ASN B 14 12.258 -0.340 -5.895 1.00 0.00 C ATOM 713 CG ASN B 14 13.031 -0.352 -7.201 1.00 0.00 C ATOM 714 OD1 ASN B 14 14.221 -0.052 -7.236 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.354 -0.690 -8.279 1.00 0.00 N ATOM 0 H ASN B 14 10.806 -0.821 -3.840 1.00 0.00 H new ATOM 0 HA ASN B 14 10.758 -1.641 -6.642 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.664 0.572 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.964 -0.309 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.818 -0.709 -9.187 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.366 -0.932 -8.206 1.00 0.00 H new ATOM 722 N ARG B 15 11.457 -3.956 -5.576 1.00 0.00 N ATOM 723 CA ARG B 15 12.082 -5.256 -5.308 1.00 0.00 C ATOM 724 C ARG B 15 13.505 -5.373 -5.866 1.00 0.00 C ATOM 725 O ARG B 15 14.293 -6.160 -5.336 1.00 0.00 O ATOM 726 CB ARG B 15 11.194 -6.425 -5.763 1.00 0.00 C ATOM 727 CG ARG B 15 11.908 -7.464 -6.615 1.00 0.00 C ATOM 728 CD ARG B 15 10.957 -8.572 -7.051 1.00 0.00 C ATOM 729 NE ARG B 15 9.844 -8.056 -7.849 1.00 0.00 N ATOM 730 CZ ARG B 15 9.954 -7.650 -9.118 1.00 0.00 C ATOM 731 NH1 ARG B 15 11.125 -7.707 -9.748 1.00 0.00 N ATOM 732 NH2 ARG B 15 8.886 -7.186 -9.758 1.00 0.00 N ATOM 0 H ARG B 15 10.474 -4.013 -5.841 1.00 0.00 H new ATOM 0 HA ARG B 15 12.179 -5.319 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG B 15 10.782 -6.917 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.352 -6.026 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG B 15 12.337 -6.984 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG B 15 12.736 -7.894 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.506 -9.314 -7.631 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.566 -9.082 -6.170 1.00 0.00 H new ATOM 0 HE ARG B 15 8.925 -8.003 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG B 15 11.948 -8.063 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG B 15 11.199 -7.395 -10.716 1.00 0.00 H new ATOM 0 HH21 ARG B 15 7.986 -7.140 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG B 15 8.967 -6.875 -10.726 1.00 0.00 H new ATOM 746 N ILE B 16 13.879 -4.571 -6.878 1.00 0.00 N ATOM 747 CA ILE B 16 15.201 -4.602 -7.373 1.00 0.00 C ATOM 748 C ILE B 16 16.133 -4.141 -6.284 1.00 0.00 C ATOM 749 O ILE B 16 17.132 -4.781 -5.951 1.00 0.00 O ATOM 750 CB ILE B 16 15.333 -3.662 -8.530 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.659 -4.230 -9.775 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.794 -3.434 -8.730 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.973 -5.580 -9.632 1.00 0.00 C ATOM 0 H ILE B 16 13.262 -3.907 -7.346 1.00 0.00 H new ATOM 0 HA ILE B 16 15.444 -5.616 -7.692 1.00 0.00 H new ATOM 0 HB ILE B 16 14.831 -2.715 -8.332 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.918 -3.508 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.411 -4.313 -10.560 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.945 -2.752 -9.567 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.222 -3.000 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.285 -4.384 -8.943 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.535 -5.869 -10.588 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.704 -6.329 -9.327 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.188 -5.511 -8.879 1.00 0.00 H new ATOM 765 N THR B 17 15.750 -3.005 -5.739 1.00 0.00 N ATOM 766 CA THR B 17 16.458 -2.364 -4.676 1.00 0.00 C ATOM 767 C THR B 17 15.730 -2.568 -3.372 1.00 0.00 C ATOM 768 O THR B 17 15.936 -1.831 -2.404 1.00 0.00 O ATOM 769 CB THR B 17 16.610 -0.908 -5.046 1.00 0.00 C ATOM 770 OG1 THR B 17 15.415 -0.188 -4.809 1.00 0.00 O ATOM 771 CG2 THR B 17 16.984 -0.806 -6.499 1.00 0.00 C ATOM 0 H THR B 17 14.917 -2.498 -6.038 1.00 0.00 H new ATOM 0 HA THR B 17 17.450 -2.794 -4.536 1.00 0.00 H new ATOM 0 HB THR B 17 17.392 -0.473 -4.424 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.919 -0.093 -5.649 1.00 0.00 H new ATOM 0 HG21 THR B 17 17.095 0.243 -6.773 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.926 -1.328 -6.670 1.00 0.00 H new ATOM 0 HG23 THR B 17 16.202 -1.259 -7.109 1.00 0.00 H new ATOM 779 N GLY B 18 14.815 -3.552 -3.411 1.00 0.00 N ATOM 780 CA GLY B 18 13.924 -3.850 -2.298 1.00 0.00 C ATOM 781 C GLY B 18 13.505 -2.588 -1.564 1.00 0.00 C ATOM 782 O GLY B 18 13.208 -2.603 -0.370 1.00 0.00 O ATOM 0 H GLY B 18 14.680 -4.158 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY B 18 13.039 -4.367 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY B 18 14.422 -4.527 -1.604 1.00 0.00 H new ATOM 786 N LYS B 19 13.521 -1.489 -2.312 1.00 0.00 N ATOM 787 CA LYS B 19 13.176 -0.174 -1.815 1.00 0.00 C ATOM 788 C LYS B 19 11.704 -0.024 -1.521 1.00 0.00 C ATOM 789 O LYS B 19 10.873 -0.753 -2.052 1.00 0.00 O ATOM 790 CB LYS B 19 13.535 0.860 -2.847 1.00 0.00 C ATOM 791 CG LYS B 19 14.848 1.527 -2.591 1.00 0.00 C ATOM 792 CD LYS B 19 15.115 2.646 -3.587 1.00 0.00 C ATOM 793 CE LYS B 19 15.607 3.906 -2.892 1.00 0.00 C ATOM 794 NZ LYS B 19 15.334 5.130 -3.696 1.00 0.00 N ATOM 0 H LYS B 19 13.780 -1.494 -3.299 1.00 0.00 H new ATOM 0 HA LYS B 19 13.731 -0.039 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.562 0.388 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.752 1.617 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.860 1.931 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.648 0.789 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.857 2.317 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.202 2.867 -4.140 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.123 3.996 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.678 3.824 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.685 5.966 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.816 5.057 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.310 5.223 -3.849 1.00 0.00 H new ATOM 808 N ARG B 20 11.395 0.964 -0.700 1.00 0.00 N ATOM 809 CA ARG B 20 10.024 1.269 -0.363 1.00 0.00 C ATOM 810 C ARG B 20 9.776 2.749 -0.229 1.00 0.00 C ATOM 811 O ARG B 20 10.567 3.491 0.360 1.00 0.00 O ATOM 812 CB ARG B 20 9.593 0.581 0.907 1.00 0.00 C ATOM 813 CG ARG B 20 10.173 1.186 2.180 1.00 0.00 C ATOM 814 CD ARG B 20 9.095 1.847 3.028 1.00 0.00 C ATOM 815 NE ARG B 20 8.034 0.909 3.402 1.00 0.00 N ATOM 816 CZ ARG B 20 8.139 0.008 4.384 1.00 0.00 C ATOM 817 NH1 ARG B 20 9.259 -0.092 5.097 1.00 0.00 N ATOM 818 NH2 ARG B 20 7.118 -0.799 4.652 1.00 0.00 N ATOM 0 H ARG B 20 12.083 1.570 -0.254 1.00 0.00 H new ATOM 0 HA ARG B 20 9.429 0.894 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.505 0.609 0.969 1.00 0.00 H new ATOM 0 HB3 ARG B 20 9.883 -0.468 0.853 1.00 0.00 H new ATOM 0 HG2 ARG B 20 10.667 0.407 2.761 1.00 0.00 H new ATOM 0 HG3 ARG B 20 10.934 1.922 1.920 1.00 0.00 H new ATOM 0 HD2 ARG B 20 9.547 2.260 3.930 1.00 0.00 H new ATOM 0 HD3 ARG B 20 8.662 2.682 2.477 1.00 0.00 H new ATOM 0 HE ARG B 20 7.159 0.946 2.880 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.048 0.523 4.896 1.00 0.00 H new ATOM 0 HH12 ARG B 20 9.328 -0.783 5.844 1.00 0.00 H new ATOM 0 HH21 ARG B 20 6.257 -0.730 4.109 1.00 0.00 H new ATOM 0 HH22 ARG B 20 7.195 -1.488 5.401 1.00 0.00 H new ATOM 832 N GLN B 21 8.656 3.158 -0.784 1.00 0.00 N ATOM 833 CA GLN B 21 8.238 4.537 -0.752 1.00 0.00 C ATOM 834 C GLN B 21 6.742 4.599 -0.948 1.00 0.00 C ATOM 835 O GLN B 21 6.200 3.805 -1.698 1.00 0.00 O ATOM 836 CB GLN B 21 8.906 5.316 -1.858 1.00 0.00 C ATOM 837 CG GLN B 21 9.752 4.466 -2.761 1.00 0.00 C ATOM 838 CD GLN B 21 10.630 5.268 -3.679 1.00 0.00 C ATOM 839 OE1 GLN B 21 11.857 5.209 -3.595 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.014 6.022 -4.560 1.00 0.00 N ATOM 0 H GLN B 21 8.009 2.538 -1.272 1.00 0.00 H new ATOM 0 HA GLN B 21 8.518 4.970 0.208 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.141 5.815 -2.453 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.528 6.096 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.376 3.811 -2.153 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.104 3.825 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.995 6.039 -4.593 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.555 6.591 -5.212 1.00 0.00 H new ATOM 849 N PHE B 22 6.068 5.554 -0.336 1.00 0.00 N ATOM 850 CA PHE B 22 4.623 5.678 -0.538 1.00 0.00 C ATOM 851 C PHE B 22 4.356 6.408 -1.867 1.00 0.00 C ATOM 852 O PHE B 22 3.501 7.293 -1.950 1.00 0.00 O ATOM 853 CB PHE B 22 4.002 6.463 0.611 1.00 0.00 C ATOM 854 CG PHE B 22 4.079 5.765 1.942 1.00 0.00 C ATOM 855 CD1 PHE B 22 3.397 4.570 2.163 1.00 0.00 C ATOM 856 CD2 PHE B 22 4.839 6.298 2.981 1.00 0.00 C ATOM 857 CE1 PHE B 22 3.471 3.929 3.384 1.00 0.00 C ATOM 858 CE2 PHE B 22 4.914 5.659 4.202 1.00 0.00 C ATOM 859 CZ PHE B 22 4.230 4.475 4.401 1.00 0.00 C ATOM 0 H PHE B 22 6.479 6.244 0.293 1.00 0.00 H new ATOM 0 HA PHE B 22 4.177 4.684 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.502 7.429 0.689 1.00 0.00 H new ATOM 0 HB3 PHE B 22 2.956 6.663 0.377 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.803 4.140 1.370 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.376 7.223 2.829 1.00 0.00 H new ATOM 0 HE1 PHE B 22 2.937 3.004 3.543 1.00 0.00 H new ATOM 0 HE2 PHE B 22 5.506 6.083 5.000 1.00 0.00 H new ATOM 0 HZ PHE B 22 4.289 3.974 5.356 1.00 0.00 H new ATOM 869 N GLU B 23 5.160 6.072 -2.875 1.00 0.00 N ATOM 870 CA GLU B 23 5.117 6.709 -4.178 1.00 0.00 C ATOM 871 C GLU B 23 5.471 5.797 -5.310 1.00 0.00 C ATOM 872 O GLU B 23 6.241 4.863 -5.143 1.00 0.00 O ATOM 873 CB GLU B 23 6.186 7.794 -4.182 1.00 0.00 C ATOM 874 CG GLU B 23 7.147 7.713 -5.370 1.00 0.00 C ATOM 875 CD GLU B 23 8.276 8.726 -5.296 1.00 0.00 C ATOM 876 OE1 GLU B 23 8.948 8.797 -4.245 1.00 0.00 O ATOM 877 OE2 GLU B 23 8.489 9.447 -6.294 1.00 0.00 O ATOM 0 H GLU B 23 5.866 5.340 -2.802 1.00 0.00 H new ATOM 0 HA GLU B 23 4.097 7.063 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.700 8.769 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU B 23 6.760 7.728 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.570 6.710 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.588 7.868 -6.293 1.00 0.00 H new ATOM 884 N ARG B 24 5.022 6.217 -6.486 1.00 0.00 N ATOM 885 CA ARG B 24 5.398 5.598 -7.723 1.00 0.00 C ATOM 886 C ARG B 24 6.550 6.476 -8.221 1.00 0.00 C ATOM 887 O ARG B 24 6.360 7.603 -8.681 1.00 0.00 O ATOM 888 CB ARG B 24 4.225 5.527 -8.675 1.00 0.00 C ATOM 889 CG ARG B 24 4.604 4.966 -10.009 1.00 0.00 C ATOM 890 CD ARG B 24 3.395 4.793 -10.901 1.00 0.00 C ATOM 891 NE ARG B 24 2.846 3.439 -10.844 1.00 0.00 N ATOM 892 CZ ARG B 24 3.145 2.426 -11.669 1.00 0.00 C ATOM 893 NH1 ARG B 24 4.086 2.543 -12.593 1.00 0.00 N ATOM 894 NH2 ARG B 24 2.514 1.265 -11.531 1.00 0.00 N ATOM 0 H ARG B 24 4.382 7.004 -6.595 1.00 0.00 H new ATOM 0 HA ARG B 24 5.708 4.558 -7.624 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.441 4.911 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG B 24 3.809 6.525 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.322 5.628 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.098 4.004 -9.873 1.00 0.00 H new ATOM 0 HD2 ARG B 24 2.625 5.506 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG B 24 3.670 5.027 -11.929 1.00 0.00 H new ATOM 0 HE ARG B 24 2.170 3.247 -10.105 1.00 0.00 H new ATOM 0 HH11 ARG B 24 4.601 3.418 -12.688 1.00 0.00 H new ATOM 0 HH12 ARG B 24 4.296 1.758 -13.209 1.00 0.00 H new ATOM 0 HH21 ARG B 24 1.809 1.151 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG B 24 2.734 0.488 -12.154 1.00 0.00 H new ATOM 908 N PRO B 25 7.766 5.963 -8.018 1.00 0.00 N ATOM 909 CA PRO B 25 9.034 6.647 -8.305 1.00 0.00 C ATOM 910 C PRO B 25 9.141 7.248 -9.684 1.00 0.00 C ATOM 911 O PRO B 25 8.610 6.736 -10.671 1.00 0.00 O ATOM 912 CB PRO B 25 10.095 5.612 -8.039 1.00 0.00 C ATOM 913 CG PRO B 25 9.431 4.587 -7.195 1.00 0.00 C ATOM 914 CD PRO B 25 7.969 4.658 -7.431 1.00 0.00 C ATOM 0 HA PRO B 25 9.136 7.528 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.465 5.179 -8.968 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.953 6.049 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.806 3.593 -7.440 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.654 4.761 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.635 3.865 -8.100 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.410 4.548 -6.502 1.00 0.00 H new ATOM 922 N SER B 26 9.843 8.369 -9.694 1.00 0.00 N ATOM 923 CA SER B 26 10.097 9.168 -10.880 1.00 0.00 C ATOM 924 C SER B 26 10.498 8.331 -12.035 1.00 0.00 C ATOM 925 O SER B 26 10.093 8.563 -13.176 1.00 0.00 O ATOM 926 CB SER B 26 11.193 10.150 -10.590 1.00 0.00 C ATOM 927 OG SER B 26 11.549 10.898 -11.741 1.00 0.00 O ATOM 0 H SER B 26 10.264 8.759 -8.851 1.00 0.00 H new ATOM 0 HA SER B 26 9.172 9.683 -11.138 1.00 0.00 H new ATOM 0 HB2 SER B 26 10.873 10.829 -9.800 1.00 0.00 H new ATOM 0 HB3 SER B 26 12.068 9.618 -10.217 1.00 0.00 H new ATOM 0 HG SER B 26 12.264 11.528 -11.513 1.00 0.00 H new ATOM 933 N ASP B 27 11.275 7.345 -11.699 1.00 0.00 N ATOM 934 CA ASP B 27 11.753 6.385 -12.654 1.00 0.00 C ATOM 935 C ASP B 27 12.837 6.951 -13.581 1.00 0.00 C ATOM 936 O ASP B 27 12.743 8.138 -13.965 1.00 0.00 O ATOM 937 CB ASP B 27 10.541 5.904 -13.405 1.00 0.00 C ATOM 938 CG ASP B 27 10.675 5.945 -14.918 1.00 0.00 C ATOM 939 OD1 ASP B 27 11.221 4.979 -15.491 1.00 0.00 O ATOM 940 OD2 ASP B 27 10.232 6.940 -15.528 1.00 0.00 O ATOM 941 OXT ASP B 27 13.773 6.196 -13.917 1.00 0.00 O ATOM 0 H ASP B 27 11.599 7.181 -10.746 1.00 0.00 H new ATOM 0 HA ASP B 27 12.251 5.557 -12.149 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.324 4.880 -13.101 1.00 0.00 H new ATOM 0 HB3 ASP B 27 9.684 6.512 -13.113 1.00 0.00 H new TER 946 ASP B 27