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 14 ASN : amide:sc= -15.2! C(o=-18!,f=-31!) USER MOD Set 1.2: B 17 THR OG1 : rot 175:sc= -3.11! USER MOD Set 2.1: A 14 ASN : amide:sc= -0.83! C(o=-1.5!,f=-11!) USER MOD Set 2.2: A 17 THR OG1 : rot -102:sc= -0.631 USER MOD Set 3.1: A 12 TYR OH : rot 15:sc= -1.12 USER MOD Set 3.2: B 8 LYS NZ :NH3+ -156:sc= 0.14 (180deg=0.00473) USER MOD Set 4.1: A 10 CYS SG : rot -53:sc= -7.46! USER MOD Set 4.2: B 10 CYS SG : rot 109:sc= -15.2! USER MOD Single : A 1 LYS N :NH3+ -113:sc= 0.0568 (180deg=-0.00936) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -6.21! C(o=-6.2!,f=-5.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -122:sc= 0.0707 (180deg=-0.00467) USER MOD Single : B 1 LYS NZ :NH3+ -165:sc=-0.00501 (180deg=-0.0688) USER MOD Single : B 12 TYR OH : rot -126:sc= -0.581 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 7.773 9.229 -13.562 1.00 0.00 N ATOM 2 CA LYS A 1 7.262 7.884 -13.173 1.00 0.00 C ATOM 3 C LYS A 1 8.387 6.976 -12.696 1.00 0.00 C ATOM 4 O LYS A 1 9.561 7.214 -12.992 1.00 0.00 O ATOM 5 CB LYS A 1 6.570 7.239 -14.382 1.00 0.00 C ATOM 6 CG LYS A 1 5.195 7.810 -14.738 1.00 0.00 C ATOM 7 CD LYS A 1 4.792 7.426 -16.151 1.00 0.00 C ATOM 8 CE LYS A 1 3.295 7.221 -16.267 1.00 0.00 C ATOM 9 NZ LYS A 1 2.621 8.354 -16.964 1.00 0.00 N ATOM 0 H1 LYS A 1 7.413 9.943 -12.897 1.00 0.00 H new ATOM 0 H2 LYS A 1 8.813 9.226 -13.537 1.00 0.00 H new ATOM 0 H3 LYS A 1 7.451 9.458 -14.524 1.00 0.00 H new ATOM 0 HA LYS A 1 6.557 8.012 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.222 7.342 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.462 6.172 -14.190 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.451 7.442 -14.032 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.213 8.896 -14.644 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.108 8.205 -16.845 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.309 6.511 -16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.098 6.296 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.868 7.105 -15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.599 8.169 -17.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.785 9.234 -16.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.008 8.450 -17.925 1.00 0.00 H new ATOM 25 N LEU A 2 8.019 5.951 -11.924 1.00 0.00 N ATOM 26 CA LEU A 2 8.991 5.032 -11.374 1.00 0.00 C ATOM 27 C LEU A 2 9.466 3.917 -12.344 1.00 0.00 C ATOM 28 O LEU A 2 8.882 3.643 -13.393 1.00 0.00 O ATOM 29 CB LEU A 2 8.533 4.535 -9.993 1.00 0.00 C ATOM 30 CG LEU A 2 8.051 3.130 -9.862 1.00 0.00 C ATOM 31 CD1 LEU A 2 7.208 3.015 -8.642 1.00 0.00 C ATOM 32 CD2 LEU A 2 7.251 2.711 -11.026 1.00 0.00 C ATOM 0 H LEU A 2 7.052 5.745 -11.671 1.00 0.00 H new ATOM 0 HA LEU A 2 9.912 5.595 -11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.366 4.665 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.732 5.192 -9.654 1.00 0.00 H new ATOM 0 HG LEU A 2 8.926 2.484 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.852 1.990 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.798 3.283 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.355 3.688 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.920 1.681 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.382 3.361 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.858 2.780 -11.929 1.00 0.00 H new ATOM 44 N PRO A 3 10.600 3.331 -11.938 1.00 0.00 N ATOM 45 CA PRO A 3 11.400 2.261 -12.600 1.00 0.00 C ATOM 46 C PRO A 3 10.885 0.845 -12.484 1.00 0.00 C ATOM 47 O PRO A 3 9.935 0.548 -11.770 1.00 0.00 O ATOM 48 CB PRO A 3 12.715 2.276 -11.824 1.00 0.00 C ATOM 49 CG PRO A 3 12.642 3.457 -10.952 1.00 0.00 C ATOM 50 CD PRO A 3 11.213 3.726 -10.722 1.00 0.00 C ATOM 0 HA PRO A 3 11.417 2.478 -13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.837 1.364 -11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.569 2.339 -12.499 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.158 3.274 -10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.127 4.314 -11.420 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.829 3.156 -9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.033 4.779 -10.506 1.00 0.00 H new ATOM 58 N PRO A 4 11.597 -0.055 -13.182 1.00 0.00 N ATOM 59 CA PRO A 4 11.361 -1.493 -13.187 1.00 0.00 C ATOM 60 C PRO A 4 11.449 -2.086 -11.821 1.00 0.00 C ATOM 61 O PRO A 4 12.010 -1.492 -10.895 1.00 0.00 O ATOM 62 CB PRO A 4 12.464 -1.990 -14.063 1.00 0.00 C ATOM 63 CG PRO A 4 12.684 -0.867 -14.949 1.00 0.00 C ATOM 64 CD PRO A 4 12.745 0.248 -14.032 1.00 0.00 C ATOM 0 HA PRO A 4 10.363 -1.760 -13.533 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.358 -2.237 -13.490 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.176 -2.888 -14.609 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.607 -0.975 -15.519 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.875 -0.755 -15.671 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.680 0.277 -13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.646 1.209 -14.538 1.00 0.00 H new ATOM 72 N GLY A 5 10.855 -3.247 -11.693 1.00 0.00 N ATOM 73 CA GLY A 5 10.816 -3.916 -10.428 1.00 0.00 C ATOM 74 C GLY A 5 9.823 -3.276 -9.467 1.00 0.00 C ATOM 75 O GLY A 5 9.205 -3.964 -8.653 1.00 0.00 O ATOM 0 H GLY A 5 10.393 -3.744 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.549 -4.962 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.810 -3.903 -9.982 1.00 0.00 H new ATOM 79 N TRP A 6 9.668 -1.951 -9.577 1.00 0.00 N ATOM 80 CA TRP A 6 8.758 -1.192 -8.752 1.00 0.00 C ATOM 81 C TRP A 6 7.327 -1.484 -9.156 1.00 0.00 C ATOM 82 O TRP A 6 7.029 -1.665 -10.340 1.00 0.00 O ATOM 83 CB TRP A 6 8.994 0.303 -8.954 1.00 0.00 C ATOM 84 CG TRP A 6 9.926 0.984 -8.040 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.992 1.679 -8.435 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.881 1.088 -6.641 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.652 2.205 -7.370 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.991 1.840 -6.242 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.032 0.614 -5.690 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.250 2.112 -4.918 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.287 0.888 -4.391 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.370 1.612 -4.011 1.00 0.00 C ATOM 0 H TRP A 6 10.181 -1.383 -10.251 1.00 0.00 H new ATOM 0 HA TRP A 6 8.929 -1.471 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.357 0.450 -9.971 1.00 0.00 H new ATOM 0 HB3 TRP A 6 8.030 0.806 -8.884 1.00 0.00 H new ATOM 0 HD1 TRP A 6 11.292 1.807 -9.465 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.497 2.775 -7.411 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.168 0.028 -5.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.109 2.693 -4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.610 0.520 -3.634 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.537 1.796 -2.960 1.00 0.00 H new ATOM 103 N GLU A 7 6.442 -1.483 -8.184 1.00 0.00 N ATOM 104 CA GLU A 7 5.034 -1.700 -8.449 1.00 0.00 C ATOM 105 C GLU A 7 4.190 -1.242 -7.282 1.00 0.00 C ATOM 106 O GLU A 7 4.162 -1.878 -6.225 1.00 0.00 O ATOM 107 CB GLU A 7 4.724 -3.158 -8.778 1.00 0.00 C ATOM 108 CG GLU A 7 5.236 -4.167 -7.754 1.00 0.00 C ATOM 109 CD GLU A 7 4.344 -5.387 -7.640 1.00 0.00 C ATOM 110 OE1 GLU A 7 3.353 -5.330 -6.881 1.00 0.00 O ATOM 111 OE2 GLU A 7 4.636 -6.401 -8.308 1.00 0.00 O ATOM 0 H GLU A 7 6.671 -1.334 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 7 4.785 -1.104 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.644 -3.273 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.156 -3.396 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.242 -4.482 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.311 -3.684 -6.780 1.00 0.00 H new ATOM 118 N LYS A 8 3.510 -0.125 -7.490 1.00 0.00 N ATOM 119 CA LYS A 8 2.643 0.455 -6.462 1.00 0.00 C ATOM 120 C LYS A 8 1.818 -0.667 -5.794 1.00 0.00 C ATOM 121 O LYS A 8 1.210 -1.482 -6.493 1.00 0.00 O ATOM 122 CB LYS A 8 1.652 1.477 -7.089 1.00 0.00 C ATOM 123 CG LYS A 8 0.918 2.346 -6.066 1.00 0.00 C ATOM 124 CD LYS A 8 -0.290 3.032 -6.693 1.00 0.00 C ATOM 125 CE LYS A 8 0.032 4.454 -7.125 1.00 0.00 C ATOM 126 NZ LYS A 8 0.037 5.402 -5.976 1.00 0.00 N ATOM 0 H LYS A 8 3.538 0.403 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 8 3.273 0.961 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.200 2.125 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.916 0.935 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.595 1.730 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.600 3.097 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.628 2.457 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.112 3.046 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.006 4.472 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.700 4.783 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.261 6.359 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.900 5.405 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.754 5.104 -5.284 1.00 0.00 H new ATOM 140 N ARG A 9 1.790 -0.709 -4.462 1.00 0.00 N ATOM 141 CA ARG A 9 1.027 -1.738 -3.738 1.00 0.00 C ATOM 142 C ARG A 9 0.066 -1.091 -2.745 1.00 0.00 C ATOM 143 O ARG A 9 0.497 -0.369 -1.850 1.00 0.00 O ATOM 144 CB ARG A 9 1.974 -2.691 -3.000 1.00 0.00 C ATOM 145 CG ARG A 9 2.583 -3.767 -3.888 1.00 0.00 C ATOM 146 CD ARG A 9 1.967 -5.134 -3.626 1.00 0.00 C ATOM 147 NE ARG A 9 1.959 -5.486 -2.242 1.00 0.00 N ATOM 148 CZ ARG A 9 2.955 -6.089 -1.630 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.155 -6.218 -2.190 1.00 0.00 N ATOM 150 NH2 ARG A 9 2.717 -6.554 -0.446 1.00 0.00 N ATOM 0 H ARG A 9 2.282 -0.048 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 9 0.451 -2.309 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.777 -2.110 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.430 -3.171 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.439 -3.498 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.658 -3.814 -3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.945 -5.144 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.521 -5.889 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 9 1.130 -5.256 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.325 -5.843 -3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.905 -6.692 -1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.792 -6.444 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.455 -7.031 0.073 1.00 0.00 H new ATOM 164 N CYS A 10 -1.239 -1.331 -2.915 1.00 0.00 N ATOM 165 CA CYS A 10 -2.238 -0.726 -2.027 1.00 0.00 C ATOM 166 C CYS A 10 -2.916 -1.731 -1.100 1.00 0.00 C ATOM 167 O CYS A 10 -3.652 -2.612 -1.547 1.00 0.00 O ATOM 168 CB CYS A 10 -3.305 0.024 -2.839 1.00 0.00 C ATOM 169 SG CYS A 10 -2.826 0.393 -4.560 1.00 0.00 S ATOM 0 H CYS A 10 -1.624 -1.929 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.689 -0.027 -1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.219 -0.569 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.538 0.960 -2.332 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.677 1.001 -4.570 1.00 0.00 H new ATOM 174 N PHE A 11 -2.695 -1.545 0.207 1.00 0.00 N ATOM 175 CA PHE A 11 -3.314 -2.384 1.228 1.00 0.00 C ATOM 176 C PHE A 11 -4.037 -1.507 2.251 1.00 0.00 C ATOM 177 O PHE A 11 -3.466 -0.545 2.770 1.00 0.00 O ATOM 178 CB PHE A 11 -2.285 -3.279 1.956 1.00 0.00 C ATOM 179 CG PHE A 11 -1.398 -2.546 2.924 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.851 -2.246 4.200 1.00 0.00 C ATOM 181 CD2 PHE A 11 -0.113 -2.173 2.570 1.00 0.00 C ATOM 182 CE1 PHE A 11 -1.038 -1.588 5.102 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.703 -1.511 3.469 1.00 0.00 C ATOM 184 CZ PHE A 11 0.240 -1.219 4.735 1.00 0.00 C ATOM 0 H PHE A 11 -2.088 -0.815 0.579 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.023 -3.039 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.819 -4.062 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.660 -3.772 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.851 -2.530 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.256 -2.401 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.402 -1.363 6.093 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.703 -1.223 3.180 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.877 -0.702 5.438 1.00 0.00 H new ATOM 194 N TYR A 12 -5.271 -1.863 2.569 1.00 0.00 N ATOM 195 CA TYR A 12 -6.042 -1.143 3.568 1.00 0.00 C ATOM 196 C TYR A 12 -5.512 -1.535 4.932 1.00 0.00 C ATOM 197 O TYR A 12 -5.163 -2.696 5.137 1.00 0.00 O ATOM 198 CB TYR A 12 -7.529 -1.495 3.477 1.00 0.00 C ATOM 199 CG TYR A 12 -8.297 -0.505 2.630 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.796 0.650 3.180 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.545 -0.733 1.284 1.00 0.00 C ATOM 202 CE1 TYR A 12 -9.518 1.541 2.451 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.262 0.155 0.529 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.757 1.302 1.115 1.00 0.00 C ATOM 205 OH TYR A 12 -10.488 2.199 0.371 1.00 0.00 O ATOM 0 H TYR A 12 -5.762 -2.651 2.147 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.943 -0.070 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.639 -2.494 3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.957 -1.522 4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.609 0.857 4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.164 -1.631 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.904 2.435 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.439 -0.041 -0.518 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.559 3.047 0.858 1.00 0.00 H new ATOM 215 N PHE A 13 -5.450 -0.598 5.865 1.00 0.00 N ATOM 216 CA PHE A 13 -4.968 -0.928 7.204 1.00 0.00 C ATOM 217 C PHE A 13 -5.990 -0.541 8.238 1.00 0.00 C ATOM 218 O PHE A 13 -6.316 0.635 8.397 1.00 0.00 O ATOM 219 CB PHE A 13 -3.646 -0.253 7.526 1.00 0.00 C ATOM 220 CG PHE A 13 -2.946 -0.902 8.688 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.239 -2.067 8.498 1.00 0.00 C ATOM 222 CD2 PHE A 13 -2.979 -0.344 9.960 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.578 -2.672 9.539 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.314 -0.934 11.009 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.609 -2.104 10.801 1.00 0.00 C ATOM 0 H PHE A 13 -5.720 0.376 5.729 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.807 -2.006 7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.999 -0.287 6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.822 0.799 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.203 -2.513 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.535 0.567 10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.034 -3.590 9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.343 -0.485 11.991 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.084 -2.574 11.620 1.00 0.00 H new ATOM 235 N ASN A 14 -6.473 -1.537 8.956 1.00 0.00 N ATOM 236 CA ASN A 14 -7.445 -1.295 9.992 1.00 0.00 C ATOM 237 C ASN A 14 -6.707 -1.102 11.294 1.00 0.00 C ATOM 238 O ASN A 14 -6.666 -2.003 12.115 1.00 0.00 O ATOM 239 CB ASN A 14 -8.471 -2.431 10.115 1.00 0.00 C ATOM 240 CG ASN A 14 -9.518 -2.153 11.172 1.00 0.00 C ATOM 241 OD1 ASN A 14 -9.436 -2.646 12.290 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.501 -1.353 10.824 1.00 0.00 N ATOM 0 H ASN A 14 -6.207 -2.515 8.838 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.013 -0.401 9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.961 -2.580 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.953 -3.360 10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.233 -1.122 11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.532 -0.963 9.882 1.00 0.00 H new ATOM 249 N ARG A 15 -6.076 0.060 11.443 1.00 0.00 N ATOM 250 CA ARG A 15 -5.270 0.366 12.627 1.00 0.00 C ATOM 251 C ARG A 15 -5.920 -0.080 13.944 1.00 0.00 C ATOM 252 O ARG A 15 -5.199 -0.298 14.922 1.00 0.00 O ATOM 253 CB ARG A 15 -4.855 1.849 12.664 1.00 0.00 C ATOM 254 CG ARG A 15 -5.011 2.519 14.023 1.00 0.00 C ATOM 255 CD ARG A 15 -4.174 3.788 14.120 1.00 0.00 C ATOM 256 NE ARG A 15 -2.745 3.495 14.239 1.00 0.00 N ATOM 257 CZ ARG A 15 -2.161 3.044 15.354 1.00 0.00 C ATOM 258 NH1 ARG A 15 -2.876 2.834 16.457 1.00 0.00 N ATOM 259 NH2 ARG A 15 -0.854 2.802 15.364 1.00 0.00 N ATOM 0 H ARG A 15 -6.107 0.812 10.754 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.363 -0.231 12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.814 1.929 12.352 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.450 2.397 11.933 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.060 2.760 14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.713 1.825 14.808 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.345 4.404 13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.498 4.371 14.983 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.157 3.644 13.419 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.879 3.017 16.457 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.420 2.490 17.302 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.300 2.960 14.523 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.406 2.458 16.213 1.00 0.00 H new ATOM 273 N ILE A 16 -7.250 -0.283 13.990 1.00 0.00 N ATOM 274 CA ILE A 16 -7.867 -0.755 15.170 1.00 0.00 C ATOM 275 C ILE A 16 -7.383 -2.152 15.443 1.00 0.00 C ATOM 276 O ILE A 16 -6.916 -2.489 16.532 1.00 0.00 O ATOM 277 CB ILE A 16 -9.351 -0.799 14.988 1.00 0.00 C ATOM 278 CG1 ILE A 16 -9.948 0.604 14.997 1.00 0.00 C ATOM 279 CG2 ILE A 16 -9.888 -1.652 16.088 1.00 0.00 C ATOM 280 CD1 ILE A 16 -8.975 1.768 15.100 1.00 0.00 C ATOM 0 H ILE A 16 -7.886 -0.118 13.210 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.618 -0.089 15.996 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.620 -1.222 14.020 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.531 0.730 14.085 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.645 0.670 15.832 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.973 -1.717 16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.457 -2.651 16.017 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.627 -1.212 17.050 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.529 2.707 15.096 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.407 1.686 16.026 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.291 1.747 14.252 1.00 0.00 H new ATOM 292 N THR A 17 -7.501 -2.942 14.397 1.00 0.00 N ATOM 293 CA THR A 17 -7.093 -4.310 14.401 1.00 0.00 C ATOM 294 C THR A 17 -5.788 -4.450 13.665 1.00 0.00 C ATOM 295 O THR A 17 -5.425 -5.539 13.213 1.00 0.00 O ATOM 296 CB THR A 17 -8.211 -5.123 13.793 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.246 -4.990 12.382 1.00 0.00 O ATOM 298 CG2 THR A 17 -9.517 -4.662 14.378 1.00 0.00 C ATOM 0 H THR A 17 -7.893 -2.634 13.507 1.00 0.00 H new ATOM 0 HA THR A 17 -6.914 -4.679 15.411 1.00 0.00 H new ATOM 0 HB THR A 17 -8.040 -6.175 14.021 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.962 -4.370 12.130 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.333 -5.241 13.947 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.502 -4.804 15.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.664 -3.606 14.153 1.00 0.00 H new ATOM 306 N GLY A 18 -5.136 -3.284 13.499 1.00 0.00 N ATOM 307 CA GLY A 18 -3.912 -3.165 12.725 1.00 0.00 C ATOM 308 C GLY A 18 -3.913 -4.117 11.549 1.00 0.00 C ATOM 309 O GLY A 18 -2.868 -4.589 11.102 1.00 0.00 O ATOM 0 H GLY A 18 -5.454 -2.403 13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.803 -2.141 12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.053 -3.373 13.363 1.00 0.00 H new ATOM 313 N LYS A 19 -5.123 -4.420 11.084 1.00 0.00 N ATOM 314 CA LYS A 19 -5.338 -5.332 9.988 1.00 0.00 C ATOM 315 C LYS A 19 -4.887 -4.774 8.663 1.00 0.00 C ATOM 316 O LYS A 19 -4.806 -3.566 8.478 1.00 0.00 O ATOM 317 CB LYS A 19 -6.801 -5.653 9.879 1.00 0.00 C ATOM 318 CG LYS A 19 -7.172 -6.941 10.540 1.00 0.00 C ATOM 319 CD LYS A 19 -8.620 -7.319 10.269 1.00 0.00 C ATOM 320 CE LYS A 19 -8.717 -8.462 9.270 1.00 0.00 C ATOM 321 NZ LYS A 19 -10.089 -9.041 9.214 1.00 0.00 N ATOM 0 H LYS A 19 -5.983 -4.030 11.469 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.746 -6.221 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.378 -4.843 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.079 -5.699 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.516 -7.735 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.014 -6.857 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.103 -7.608 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.158 -6.452 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.435 -8.103 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.005 -9.242 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.111 -9.816 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.350 -9.407 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.765 -8.304 8.930 1.00 0.00 H new ATOM 335 N ARG A 20 -4.636 -5.678 7.736 1.00 0.00 N ATOM 336 CA ARG A 20 -4.241 -5.304 6.399 1.00 0.00 C ATOM 337 C ARG A 20 -4.864 -6.187 5.352 1.00 0.00 C ATOM 338 O ARG A 20 -4.916 -7.412 5.483 1.00 0.00 O ATOM 339 CB ARG A 20 -2.745 -5.321 6.228 1.00 0.00 C ATOM 340 CG ARG A 20 -2.127 -6.713 6.215 1.00 0.00 C ATOM 341 CD ARG A 20 -1.556 -7.060 4.848 1.00 0.00 C ATOM 342 NE ARG A 20 -0.719 -8.260 4.890 1.00 0.00 N ATOM 343 CZ ARG A 20 0.059 -8.666 3.882 1.00 0.00 C ATOM 344 NH1 ARG A 20 0.111 -7.976 2.745 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.787 -9.770 4.013 1.00 0.00 N ATOM 0 H ARG A 20 -4.700 -6.684 7.890 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.604 -4.286 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.493 -4.816 5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.293 -4.744 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.337 -6.768 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.881 -7.449 6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.373 -7.213 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.967 -6.221 4.478 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.730 -8.821 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.446 -7.129 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.708 -8.295 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.751 -10.305 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.382 -10.083 3.246 1.00 0.00 H new ATOM 359 N GLN A 21 -5.331 -5.539 4.309 1.00 0.00 N ATOM 360 CA GLN A 21 -5.954 -6.218 3.204 1.00 0.00 C ATOM 361 C GLN A 21 -5.847 -5.351 1.972 1.00 0.00 C ATOM 362 O GLN A 21 -5.970 -4.140 2.073 1.00 0.00 O ATOM 363 CB GLN A 21 -7.411 -6.475 3.500 1.00 0.00 C ATOM 364 CG GLN A 21 -7.860 -5.926 4.824 1.00 0.00 C ATOM 365 CD GLN A 21 -9.207 -6.435 5.253 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.325 -7.162 6.239 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.231 -6.061 4.522 1.00 0.00 N ATOM 0 H GLN A 21 -5.288 -4.525 4.206 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.451 -7.171 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.017 -6.034 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.593 -7.549 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.123 -6.183 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.892 -4.838 4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.086 -5.457 3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.171 -6.374 4.763 1.00 0.00 H new ATOM 376 N PHE A 22 -5.673 -5.943 0.807 1.00 0.00 N ATOM 377 CA PHE A 22 -5.612 -5.151 -0.422 1.00 0.00 C ATOM 378 C PHE A 22 -7.043 -4.801 -0.868 1.00 0.00 C ATOM 379 O PHE A 22 -7.386 -4.893 -2.049 1.00 0.00 O ATOM 380 CB PHE A 22 -4.913 -5.945 -1.522 1.00 0.00 C ATOM 381 CG PHE A 22 -3.523 -6.405 -1.163 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.538 -5.494 -0.822 1.00 0.00 C ATOM 383 CD2 PHE A 22 -3.202 -7.753 -1.167 1.00 0.00 C ATOM 384 CE1 PHE A 22 -1.272 -5.915 -0.494 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.938 -8.176 -0.840 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.975 -7.256 -0.503 1.00 0.00 C ATOM 0 H PHE A 22 -5.572 -6.950 0.677 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.049 -4.237 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.520 -6.816 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.860 -5.330 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.768 -4.439 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.956 -8.480 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.513 -5.194 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.701 -9.230 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.019 -7.588 -0.244 1.00 0.00 H new ATOM 396 N GLU A 23 -7.884 -4.478 0.115 1.00 0.00 N ATOM 397 CA GLU A 23 -9.293 -4.198 -0.092 1.00 0.00 C ATOM 398 C GLU A 23 -9.853 -3.194 0.861 1.00 0.00 C ATOM 399 O GLU A 23 -9.414 -3.101 1.999 1.00 0.00 O ATOM 400 CB GLU A 23 -10.059 -5.484 0.190 1.00 0.00 C ATOM 401 CG GLU A 23 -11.217 -5.314 1.178 1.00 0.00 C ATOM 402 CD GLU A 23 -11.982 -6.602 1.427 1.00 0.00 C ATOM 403 OE1 GLU A 23 -12.502 -7.184 0.451 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.067 -7.027 2.598 1.00 0.00 O ATOM 0 H GLU A 23 -7.594 -4.404 1.090 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.391 -3.814 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.450 -5.875 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.367 -6.229 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.827 -4.941 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.904 -4.558 0.797 1.00 0.00 H new ATOM 411 N ARG A 24 -10.944 -2.588 0.409 1.00 0.00 N ATOM 412 CA ARG A 24 -11.742 -1.731 1.231 1.00 0.00 C ATOM 413 C ARG A 24 -12.808 -2.669 1.792 1.00 0.00 C ATOM 414 O ARG A 24 -13.709 -3.129 1.088 1.00 0.00 O ATOM 415 CB ARG A 24 -12.298 -0.576 0.435 1.00 0.00 C ATOM 416 CG ARG A 24 -13.129 0.341 1.280 1.00 0.00 C ATOM 417 CD ARG A 24 -14.099 1.147 0.434 1.00 0.00 C ATOM 418 NE ARG A 24 -13.720 2.552 0.304 1.00 0.00 N ATOM 419 CZ ARG A 24 -12.982 3.047 -0.694 1.00 0.00 C ATOM 420 NH1 ARG A 24 -12.516 2.252 -1.654 1.00 0.00 N ATOM 421 NH2 ARG A 24 -12.711 4.348 -0.734 1.00 0.00 N ATOM 0 H ARG A 24 -11.289 -2.687 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.187 -1.243 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.477 -0.014 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.903 -0.960 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.683 -0.242 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.478 1.017 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.162 0.701 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.094 1.085 0.875 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.041 3.199 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.721 1.253 -1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.954 2.642 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.066 4.966 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.148 4.728 -1.495 1.00 0.00 H new ATOM 435 N PRO A 25 -12.616 -3.027 3.060 1.00 0.00 N ATOM 436 CA PRO A 25 -13.430 -4.001 3.794 1.00 0.00 C ATOM 437 C PRO A 25 -14.922 -3.773 3.735 1.00 0.00 C ATOM 438 O PRO A 25 -15.420 -2.646 3.705 1.00 0.00 O ATOM 439 CB PRO A 25 -12.897 -3.962 5.198 1.00 0.00 C ATOM 440 CG PRO A 25 -11.559 -3.321 5.095 1.00 0.00 C ATOM 441 CD PRO A 25 -11.517 -2.516 3.852 1.00 0.00 C ATOM 0 HA PRO A 25 -13.339 -4.984 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.556 -3.392 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.821 -4.965 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.375 -2.688 5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.776 -4.079 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.638 -1.453 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.565 -2.633 3.334 1.00 0.00 H new ATOM 449 N SER A 26 -15.602 -4.906 3.707 1.00 0.00 N ATOM 450 CA SER A 26 -17.050 -5.001 3.637 1.00 0.00 C ATOM 451 C SER A 26 -17.720 -4.125 4.625 1.00 0.00 C ATOM 452 O SER A 26 -18.766 -3.532 4.356 1.00 0.00 O ATOM 453 CB SER A 26 -17.461 -6.418 3.902 1.00 0.00 C ATOM 454 OG SER A 26 -18.871 -6.565 3.921 1.00 0.00 O ATOM 0 H SER A 26 -15.145 -5.817 3.733 1.00 0.00 H new ATOM 0 HA SER A 26 -17.352 -4.679 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.039 -7.068 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.049 -6.743 4.858 1.00 0.00 H new ATOM 0 HG SER A 26 -19.100 -7.502 4.095 1.00 0.00 H new ATOM 460 N ASP A 27 -17.085 -4.057 5.759 1.00 0.00 N ATOM 461 CA ASP A 27 -17.549 -3.244 6.851 1.00 0.00 C ATOM 462 C ASP A 27 -18.728 -3.879 7.599 1.00 0.00 C ATOM 463 O ASP A 27 -19.603 -4.483 6.940 1.00 0.00 O ATOM 464 CB ASP A 27 -17.893 -1.896 6.271 1.00 0.00 C ATOM 465 CG ASP A 27 -19.292 -1.401 6.602 1.00 0.00 C ATOM 466 OD1 ASP A 27 -19.475 -0.832 7.698 1.00 0.00 O ATOM 467 OD2 ASP A 27 -20.202 -1.581 5.765 1.00 0.00 O ATOM 468 OXT ASP A 27 -18.765 -3.763 8.842 1.00 0.00 O ATOM 0 H ASP A 27 -16.224 -4.567 5.956 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.771 -3.146 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -17.169 -1.165 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.786 -1.944 5.187 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -17.042 4.963 2.794 1.00 0.00 N ATOM 475 CA LYS B 1 -15.831 4.096 2.732 1.00 0.00 C ATOM 476 C LYS B 1 -15.770 3.133 3.918 1.00 0.00 C ATOM 477 O LYS B 1 -16.540 3.265 4.872 1.00 0.00 O ATOM 478 CB LYS B 1 -14.582 4.988 2.708 1.00 0.00 C ATOM 479 CG LYS B 1 -14.371 5.795 3.982 1.00 0.00 C ATOM 480 CD LYS B 1 -14.418 7.293 3.713 1.00 0.00 C ATOM 481 CE LYS B 1 -13.223 8.011 4.311 1.00 0.00 C ATOM 482 NZ LYS B 1 -13.140 7.839 5.789 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.607 4.833 1.930 1.00 0.00 H new ATOM 0 H2 LYS B 1 -17.613 4.703 3.623 1.00 0.00 H new ATOM 0 H3 LYS B 1 -16.752 5.959 2.872 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.878 3.493 1.825 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -13.705 4.363 2.537 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -14.654 5.674 1.864 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -15.138 5.532 4.711 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -13.409 5.534 4.423 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -14.446 7.468 2.638 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -15.336 7.708 4.128 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -12.309 7.634 3.852 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -13.284 9.073 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.477 8.537 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -14.081 7.980 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.804 6.880 6.009 1.00 0.00 H new ATOM 498 N LEU B 2 -14.859 2.157 3.837 1.00 0.00 N ATOM 499 CA LEU B 2 -14.682 1.151 4.876 1.00 0.00 C ATOM 500 C LEU B 2 -14.736 1.698 6.334 1.00 0.00 C ATOM 501 O LEU B 2 -14.661 2.898 6.607 1.00 0.00 O ATOM 502 CB LEU B 2 -13.395 0.355 4.619 1.00 0.00 C ATOM 503 CG LEU B 2 -12.141 1.019 5.096 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.938 0.438 4.453 1.00 0.00 C ATOM 505 CD2 LEU B 2 -12.196 2.445 4.763 1.00 0.00 C ATOM 0 H LEU B 2 -14.225 2.047 3.045 1.00 0.00 H new ATOM 0 HA LEU B 2 -15.545 0.489 4.806 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -13.482 -0.617 5.105 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -13.307 0.169 3.549 1.00 0.00 H new ATOM 0 HG LEU B 2 -12.071 0.868 6.173 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -10.047 0.945 4.823 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.876 -0.624 4.690 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -11.005 0.566 3.373 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.285 2.935 5.108 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -12.285 2.563 3.683 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -13.059 2.899 5.250 1.00 0.00 H new ATOM 517 N PRO B 3 -14.878 0.736 7.250 1.00 0.00 N ATOM 518 CA PRO B 3 -14.976 0.883 8.722 1.00 0.00 C ATOM 519 C PRO B 3 -13.871 1.669 9.386 1.00 0.00 C ATOM 520 O PRO B 3 -12.810 1.905 8.819 1.00 0.00 O ATOM 521 CB PRO B 3 -14.878 -0.547 9.223 1.00 0.00 C ATOM 522 CG PRO B 3 -15.323 -1.375 8.085 1.00 0.00 C ATOM 523 CD PRO B 3 -14.943 -0.640 6.850 1.00 0.00 C ATOM 0 HA PRO B 3 -15.887 1.433 8.958 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -13.858 -0.794 9.517 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.509 -0.704 10.098 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.850 -2.357 8.112 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -16.400 -1.538 8.123 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.984 -0.985 6.463 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -15.678 -0.788 6.059 1.00 0.00 H new ATOM 531 N PRO B 4 -14.125 2.045 10.644 1.00 0.00 N ATOM 532 CA PRO B 4 -13.192 2.764 11.495 1.00 0.00 C ATOM 533 C PRO B 4 -11.882 2.067 11.630 1.00 0.00 C ATOM 534 O PRO B 4 -11.781 0.852 11.465 1.00 0.00 O ATOM 535 CB PRO B 4 -13.919 2.802 12.795 1.00 0.00 C ATOM 536 CG PRO B 4 -15.302 2.844 12.367 1.00 0.00 C ATOM 537 CD PRO B 4 -15.357 1.783 11.384 1.00 0.00 C ATOM 0 HA PRO B 4 -12.929 3.745 11.100 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.708 1.924 13.406 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.649 3.676 13.388 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -15.989 2.667 13.195 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.565 3.810 11.936 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.364 0.794 11.841 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.243 1.848 10.752 1.00 0.00 H new ATOM 545 N GLY B 5 -10.877 2.857 11.908 1.00 0.00 N ATOM 546 CA GLY B 5 -9.556 2.330 12.035 1.00 0.00 C ATOM 547 C GLY B 5 -8.917 2.005 10.689 1.00 0.00 C ATOM 548 O GLY B 5 -7.693 2.024 10.565 1.00 0.00 O ATOM 0 H GLY B 5 -10.954 3.864 12.049 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -8.932 3.050 12.564 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.587 1.427 12.645 1.00 0.00 H new ATOM 552 N TRP B 6 -9.747 1.710 9.674 1.00 0.00 N ATOM 553 CA TRP B 6 -9.262 1.385 8.350 1.00 0.00 C ATOM 554 C TRP B 6 -8.790 2.620 7.623 1.00 0.00 C ATOM 555 O TRP B 6 -9.465 3.652 7.630 1.00 0.00 O ATOM 556 CB TRP B 6 -10.370 0.795 7.493 1.00 0.00 C ATOM 557 CG TRP B 6 -10.559 -0.660 7.557 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.711 -1.257 7.849 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.640 -1.682 7.264 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.557 -2.611 7.899 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.278 -2.905 7.519 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.337 -1.689 6.846 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.621 -4.120 7.361 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.696 -2.879 6.677 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.319 -4.070 6.935 1.00 0.00 C ATOM 0 H TRP B 6 -10.763 1.694 9.761 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.447 0.675 8.492 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.308 1.271 7.777 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.176 1.066 6.455 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.643 -0.739 8.023 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.271 -3.286 8.172 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.822 -0.760 6.652 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.113 -5.059 7.564 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.673 -2.883 6.332 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -7.772 -4.992 6.800 1.00 0.00 H new ATOM 576 N GLU B 7 -7.674 2.493 6.941 1.00 0.00 N ATOM 577 CA GLU B 7 -7.161 3.582 6.145 1.00 0.00 C ATOM 578 C GLU B 7 -6.446 3.037 4.936 1.00 0.00 C ATOM 579 O GLU B 7 -5.336 2.508 5.038 1.00 0.00 O ATOM 580 CB GLU B 7 -6.222 4.497 6.921 1.00 0.00 C ATOM 581 CG GLU B 7 -6.685 4.846 8.329 1.00 0.00 C ATOM 582 CD GLU B 7 -7.368 6.199 8.405 1.00 0.00 C ATOM 583 OE1 GLU B 7 -6.660 7.226 8.338 1.00 0.00 O ATOM 584 OE2 GLU B 7 -8.610 6.232 8.534 1.00 0.00 O ATOM 0 H GLU B 7 -7.105 1.646 6.922 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.019 4.183 5.844 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.244 4.021 6.984 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.091 5.421 6.358 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.372 4.077 8.682 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.827 4.839 9.001 1.00 0.00 H new ATOM 591 N LYS B 8 -7.099 3.167 3.796 1.00 0.00 N ATOM 592 CA LYS B 8 -6.537 2.687 2.540 1.00 0.00 C ATOM 593 C LYS B 8 -5.080 3.166 2.421 1.00 0.00 C ATOM 594 O LYS B 8 -4.792 4.340 2.669 1.00 0.00 O ATOM 595 CB LYS B 8 -7.344 3.228 1.329 1.00 0.00 C ATOM 596 CG LYS B 8 -7.069 2.461 0.040 1.00 0.00 C ATOM 597 CD LYS B 8 -7.836 3.044 -1.136 1.00 0.00 C ATOM 598 CE LYS B 8 -7.996 2.026 -2.257 1.00 0.00 C ATOM 599 NZ LYS B 8 -9.426 1.793 -2.602 1.00 0.00 N ATOM 0 H LYS B 8 -8.019 3.600 3.710 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.583 1.598 2.535 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -8.409 3.176 1.556 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -7.101 4.280 1.178 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -6.001 2.483 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.346 1.415 0.173 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.819 3.377 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -7.313 3.923 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -7.462 2.374 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -7.537 1.083 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -9.529 0.856 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -10.003 1.836 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -9.746 2.524 -3.269 1.00 0.00 H new ATOM 613 N ARG B 9 -4.168 2.267 2.058 1.00 0.00 N ATOM 614 CA ARG B 9 -2.750 2.625 1.930 1.00 0.00 C ATOM 615 C ARG B 9 -2.179 2.183 0.585 1.00 0.00 C ATOM 616 O ARG B 9 -2.734 1.299 -0.065 1.00 0.00 O ATOM 617 CB ARG B 9 -1.948 1.986 3.068 1.00 0.00 C ATOM 618 CG ARG B 9 -0.826 2.864 3.599 1.00 0.00 C ATOM 619 CD ARG B 9 -0.487 2.522 5.042 1.00 0.00 C ATOM 620 NE ARG B 9 -1.611 2.625 5.912 1.00 0.00 N ATOM 621 CZ ARG B 9 -1.945 3.724 6.554 1.00 0.00 C ATOM 622 NH1 ARG B 9 -1.383 4.900 6.281 1.00 0.00 N ATOM 623 NH2 ARG B 9 -2.851 3.614 7.470 1.00 0.00 N ATOM 0 H ARG B 9 -4.379 1.291 1.848 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.672 3.711 1.988 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.626 1.745 3.887 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.525 1.045 2.717 1.00 0.00 H new ATOM 0 HG2 ARG B 9 0.060 2.740 2.977 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.119 3.912 3.531 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.090 1.508 5.087 1.00 0.00 H new ATOM 0 HD3 ARG B 9 0.301 3.188 5.393 1.00 0.00 H new ATOM 0 HE ARG B 9 -2.192 1.797 6.045 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.670 4.968 5.555 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -1.666 5.733 6.798 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -3.271 2.705 7.665 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -3.146 4.436 7.997 1.00 0.00 H new ATOM 637 N CYS B 10 -1.061 2.798 0.179 1.00 0.00 N ATOM 638 CA CYS B 10 -0.412 2.447 -1.090 1.00 0.00 C ATOM 639 C CYS B 10 1.091 2.692 -1.053 1.00 0.00 C ATOM 640 O CYS B 10 1.553 3.821 -1.235 1.00 0.00 O ATOM 641 CB CYS B 10 -1.024 3.214 -2.268 1.00 0.00 C ATOM 642 SG CYS B 10 -1.317 2.187 -3.741 1.00 0.00 S ATOM 0 H CYS B 10 -0.591 3.534 0.705 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.584 1.380 -1.233 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.969 3.655 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.362 4.037 -2.537 1.00 0.00 H new ATOM 0 HG CYS B 10 -2.595 2.009 -3.899 1.00 0.00 H new ATOM 647 N PHE B 11 1.849 1.614 -0.860 1.00 0.00 N ATOM 648 CA PHE B 11 3.300 1.697 -0.852 1.00 0.00 C ATOM 649 C PHE B 11 3.858 1.027 -2.105 1.00 0.00 C ATOM 650 O PHE B 11 3.462 -0.086 -2.445 1.00 0.00 O ATOM 651 CB PHE B 11 3.916 1.033 0.396 1.00 0.00 C ATOM 652 CG PHE B 11 3.862 -0.469 0.380 1.00 0.00 C ATOM 653 CD1 PHE B 11 4.838 -1.199 -0.297 1.00 0.00 C ATOM 654 CD2 PHE B 11 2.850 -1.154 1.041 1.00 0.00 C ATOM 655 CE1 PHE B 11 4.801 -2.588 -0.311 1.00 0.00 C ATOM 656 CE2 PHE B 11 2.809 -2.543 1.032 1.00 0.00 C ATOM 657 CZ PHE B 11 3.786 -3.261 0.356 1.00 0.00 C ATOM 0 H PHE B 11 1.479 0.676 -0.708 1.00 0.00 H new ATOM 0 HA PHE B 11 3.566 2.754 -0.833 1.00 0.00 H new ATOM 0 HB2 PHE B 11 4.956 1.348 0.486 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.395 1.395 1.282 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.630 -0.680 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.087 -0.601 1.568 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.561 -3.144 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.018 -3.064 1.551 1.00 0.00 H new ATOM 0 HZ PHE B 11 3.757 -4.341 0.349 1.00 0.00 H new ATOM 667 N TYR B 12 4.800 1.682 -2.767 1.00 0.00 N ATOM 668 CA TYR B 12 5.428 1.106 -3.943 1.00 0.00 C ATOM 669 C TYR B 12 6.453 0.089 -3.489 1.00 0.00 C ATOM 670 O TYR B 12 7.092 0.280 -2.454 1.00 0.00 O ATOM 671 CB TYR B 12 6.117 2.171 -4.795 1.00 0.00 C ATOM 672 CG TYR B 12 5.233 2.642 -5.932 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.280 3.640 -5.746 1.00 0.00 C ATOM 674 CD2 TYR B 12 5.345 2.095 -7.199 1.00 0.00 C ATOM 675 CE1 TYR B 12 3.486 4.077 -6.769 1.00 0.00 C ATOM 676 CE2 TYR B 12 4.565 2.525 -8.243 1.00 0.00 C ATOM 677 CZ TYR B 12 3.629 3.527 -8.033 1.00 0.00 C ATOM 678 OH TYR B 12 2.824 3.957 -9.060 1.00 0.00 O ATOM 0 H TYR B 12 5.144 2.607 -2.511 1.00 0.00 H new ATOM 0 HA TYR B 12 4.657 0.638 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.385 3.021 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.045 1.768 -5.200 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.165 4.081 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR B 12 6.065 1.309 -7.370 1.00 0.00 H new ATOM 0 HE1 TYR B 12 2.750 4.848 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR B 12 4.679 2.086 -9.223 1.00 0.00 H new ATOM 0 HH TYR B 12 2.379 3.187 -9.471 1.00 0.00 H new ATOM 688 N PHE B 13 6.624 -0.976 -4.249 1.00 0.00 N ATOM 689 CA PHE B 13 7.612 -1.988 -3.900 1.00 0.00 C ATOM 690 C PHE B 13 8.467 -2.307 -5.098 1.00 0.00 C ATOM 691 O PHE B 13 7.982 -2.848 -6.095 1.00 0.00 O ATOM 692 CB PHE B 13 6.968 -3.268 -3.404 1.00 0.00 C ATOM 693 CG PHE B 13 7.937 -4.116 -2.637 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.124 -3.890 -1.286 1.00 0.00 C ATOM 695 CD2 PHE B 13 8.651 -5.149 -3.253 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.000 -4.663 -0.552 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.522 -5.937 -2.528 1.00 0.00 C ATOM 698 CZ PHE B 13 9.703 -5.696 -1.171 1.00 0.00 C ATOM 0 H PHE B 13 6.100 -1.165 -5.103 1.00 0.00 H new ATOM 0 HA PHE B 13 8.221 -1.577 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.116 -3.024 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.582 -3.833 -4.252 1.00 0.00 H new ATOM 0 HD1 PHE B 13 7.577 -3.097 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.519 -5.332 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.141 -4.468 0.501 1.00 0.00 H new ATOM 0 HE2 PHE B 13 10.061 -6.738 -3.013 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.385 -6.306 -0.598 1.00 0.00 H new ATOM 708 N ASN B 14 9.744 -1.999 -4.988 1.00 0.00 N ATOM 709 CA ASN B 14 10.658 -2.285 -6.051 1.00 0.00 C ATOM 710 C ASN B 14 11.313 -3.595 -5.756 1.00 0.00 C ATOM 711 O ASN B 14 12.358 -3.618 -5.129 1.00 0.00 O ATOM 712 CB ASN B 14 11.746 -1.223 -6.237 1.00 0.00 C ATOM 713 CG ASN B 14 12.293 -0.645 -4.962 1.00 0.00 C ATOM 714 OD1 ASN B 14 11.766 -0.885 -3.895 1.00 0.00 O ATOM 715 ND2 ASN B 14 13.353 0.148 -5.082 1.00 0.00 N ATOM 0 H ASN B 14 10.162 -1.552 -4.172 1.00 0.00 H new ATOM 0 HA ASN B 14 10.082 -2.304 -6.976 1.00 0.00 H new ATOM 0 HB2 ASN B 14 12.569 -1.662 -6.802 1.00 0.00 H new ATOM 0 HB3 ASN B 14 11.341 -0.412 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN B 14 13.759 0.585 -4.255 1.00 0.00 H new ATOM 0 HD22 ASN B 14 13.760 0.319 -6.001 1.00 0.00 H new ATOM 722 N ARG B 15 10.696 -4.685 -6.177 1.00 0.00 N ATOM 723 CA ARG B 15 11.246 -5.994 -5.909 1.00 0.00 C ATOM 724 C ARG B 15 12.706 -6.109 -6.385 1.00 0.00 C ATOM 725 O ARG B 15 13.391 -7.067 -6.020 1.00 0.00 O ATOM 726 CB ARG B 15 10.336 -7.091 -6.466 1.00 0.00 C ATOM 727 CG ARG B 15 11.029 -8.415 -6.722 1.00 0.00 C ATOM 728 CD ARG B 15 10.066 -9.593 -6.583 1.00 0.00 C ATOM 729 NE ARG B 15 8.880 -9.449 -7.430 1.00 0.00 N ATOM 730 CZ ARG B 15 7.703 -8.969 -7.009 1.00 0.00 C ATOM 731 NH1 ARG B 15 7.539 -8.572 -5.747 1.00 0.00 N ATOM 732 NH2 ARG B 15 6.683 -8.886 -7.857 1.00 0.00 N ATOM 0 H ARG B 15 9.821 -4.687 -6.701 1.00 0.00 H new ATOM 0 HA ARG B 15 11.280 -6.138 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.516 -7.254 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.895 -6.740 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.459 -8.413 -7.723 1.00 0.00 H new ATOM 0 HG3 ARG B 15 11.855 -8.535 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.585 -10.515 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG B 15 9.756 -9.685 -5.542 1.00 0.00 H new ATOM 0 HE ARG B 15 8.956 -9.734 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG B 15 8.316 -8.632 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.637 -8.208 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG B 15 6.798 -9.187 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG B 15 5.785 -8.521 -7.540 1.00 0.00 H new ATOM 746 N ILE B 16 13.228 -5.100 -7.123 1.00 0.00 N ATOM 747 CA ILE B 16 14.589 -5.108 -7.510 1.00 0.00 C ATOM 748 C ILE B 16 15.438 -4.972 -6.275 1.00 0.00 C ATOM 749 O ILE B 16 16.341 -5.764 -6.001 1.00 0.00 O ATOM 750 CB ILE B 16 14.895 -3.940 -8.388 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.050 -3.984 -9.643 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.359 -3.969 -8.654 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.756 -5.355 -10.224 1.00 0.00 C ATOM 0 H ILE B 16 12.699 -4.289 -7.443 1.00 0.00 H new ATOM 0 HA ILE B 16 14.793 -6.036 -8.045 1.00 0.00 H new ATOM 0 HB ILE B 16 14.644 -2.993 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.100 -3.495 -9.430 1.00 0.00 H new ATOM 0 HG13 ILE B 16 14.549 -3.391 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.629 -3.130 -9.295 1.00 0.00 H new ATOM 0 HG22 ILE B 16 16.902 -3.895 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE B 16 16.620 -4.903 -9.151 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.143 -5.247 -11.119 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.693 -5.849 -10.483 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.221 -5.955 -9.488 1.00 0.00 H new ATOM 765 N THR B 17 15.081 -3.940 -5.529 1.00 0.00 N ATOM 766 CA THR B 17 15.706 -3.606 -4.288 1.00 0.00 C ATOM 767 C THR B 17 14.746 -3.903 -3.167 1.00 0.00 C ATOM 768 O THR B 17 14.875 -3.378 -2.058 1.00 0.00 O ATOM 769 CB THR B 17 16.132 -2.151 -4.344 1.00 0.00 C ATOM 770 OG1 THR B 17 15.111 -1.286 -3.886 1.00 0.00 O ATOM 771 CG2 THR B 17 16.518 -1.786 -5.756 1.00 0.00 C ATOM 0 H THR B 17 14.328 -3.303 -5.788 1.00 0.00 H new ATOM 0 HA THR B 17 16.601 -4.201 -4.107 1.00 0.00 H new ATOM 0 HB THR B 17 16.990 -2.030 -3.683 1.00 0.00 H new ATOM 0 HG1 THR B 17 15.449 -0.366 -3.860 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.823 -0.740 -5.791 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.345 -2.416 -6.082 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.665 -1.937 -6.417 1.00 0.00 H new ATOM 779 N GLY B 18 13.745 -4.726 -3.525 1.00 0.00 N ATOM 780 CA GLY B 18 12.654 -5.083 -2.641 1.00 0.00 C ATOM 781 C GLY B 18 12.334 -3.975 -1.667 1.00 0.00 C ATOM 782 O GLY B 18 11.955 -4.227 -0.522 1.00 0.00 O ATOM 0 H GLY B 18 13.682 -5.159 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY B 18 11.768 -5.314 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY B 18 12.914 -5.987 -2.090 1.00 0.00 H new ATOM 786 N LYS B 19 12.528 -2.734 -2.122 1.00 0.00 N ATOM 787 CA LYS B 19 12.297 -1.578 -1.292 1.00 0.00 C ATOM 788 C LYS B 19 10.854 -1.131 -1.304 1.00 0.00 C ATOM 789 O LYS B 19 10.084 -1.476 -2.197 1.00 0.00 O ATOM 790 CB LYS B 19 13.176 -0.454 -1.755 1.00 0.00 C ATOM 791 CG LYS B 19 14.452 -0.397 -0.997 1.00 0.00 C ATOM 792 CD LYS B 19 15.185 0.917 -1.202 1.00 0.00 C ATOM 793 CE LYS B 19 16.253 1.121 -0.139 1.00 0.00 C ATOM 794 NZ LYS B 19 17.589 0.634 -0.588 1.00 0.00 N ATOM 0 H LYS B 19 12.846 -2.517 -3.067 1.00 0.00 H new ATOM 0 HA LYS B 19 12.537 -1.858 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.390 -0.575 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.645 0.491 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.248 -0.535 0.065 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.094 -1.221 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.644 0.930 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.474 1.742 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.318 2.180 0.111 1.00 0.00 H new ATOM 0 HE3 LYS B 19 15.963 0.596 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 18.288 0.792 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 17.534 -0.382 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 17.878 1.152 -1.442 1.00 0.00 H new ATOM 808 N ARG B 20 10.498 -0.350 -0.301 1.00 0.00 N ATOM 809 CA ARG B 20 9.148 0.163 -0.204 1.00 0.00 C ATOM 810 C ARG B 20 9.098 1.662 0.001 1.00 0.00 C ATOM 811 O ARG B 20 9.917 2.254 0.708 1.00 0.00 O ATOM 812 CB ARG B 20 8.370 -0.535 0.891 1.00 0.00 C ATOM 813 CG ARG B 20 8.778 -0.137 2.304 1.00 0.00 C ATOM 814 CD ARG B 20 9.768 -1.129 2.897 1.00 0.00 C ATOM 815 NE ARG B 20 10.293 -0.679 4.186 1.00 0.00 N ATOM 816 CZ ARG B 20 9.671 -0.860 5.356 1.00 0.00 C ATOM 817 NH1 ARG B 20 8.492 -1.476 5.409 1.00 0.00 N ATOM 818 NH2 ARG B 20 10.231 -0.421 6.478 1.00 0.00 N ATOM 0 H ARG B 20 11.121 -0.060 0.452 1.00 0.00 H new ATOM 0 HA ARG B 20 8.680 -0.049 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.309 -0.322 0.759 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.495 -1.612 0.779 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.223 0.858 2.289 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.893 -0.081 2.938 1.00 0.00 H new ATOM 0 HD2 ARG B 20 9.281 -2.096 3.022 1.00 0.00 H new ATOM 0 HD3 ARG B 20 10.594 -1.276 2.201 1.00 0.00 H new ATOM 0 HE ARG B 20 11.191 -0.196 4.193 1.00 0.00 H new ATOM 0 HH11 ARG B 20 8.055 -1.815 4.552 1.00 0.00 H new ATOM 0 HH12 ARG B 20 8.026 -1.609 6.307 1.00 0.00 H new ATOM 0 HH21 ARG B 20 11.134 0.053 6.446 1.00 0.00 H new ATOM 0 HH22 ARG B 20 9.758 -0.558 7.371 1.00 0.00 H new ATOM 832 N GLN B 21 8.116 2.254 -0.653 1.00 0.00 N ATOM 833 CA GLN B 21 7.881 3.677 -0.614 1.00 0.00 C ATOM 834 C GLN B 21 6.385 3.939 -0.540 1.00 0.00 C ATOM 835 O GLN B 21 5.599 3.044 -0.797 1.00 0.00 O ATOM 836 CB GLN B 21 8.370 4.264 -1.911 1.00 0.00 C ATOM 837 CG GLN B 21 9.691 3.742 -2.372 1.00 0.00 C ATOM 838 CD GLN B 21 10.724 4.814 -2.572 1.00 0.00 C ATOM 839 OE1 GLN B 21 11.732 4.865 -1.867 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.484 5.678 -3.538 1.00 0.00 N ATOM 0 H GLN B 21 7.450 1.746 -1.235 1.00 0.00 H new ATOM 0 HA GLN B 21 8.389 4.111 0.247 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.628 4.070 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.440 5.346 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.063 3.022 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.552 3.203 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.634 5.596 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.148 6.429 -3.727 1.00 0.00 H new ATOM 849 N PHE B 22 5.995 5.175 -0.293 1.00 0.00 N ATOM 850 CA PHE B 22 4.581 5.544 -0.320 1.00 0.00 C ATOM 851 C PHE B 22 4.390 6.454 -1.544 1.00 0.00 C ATOM 852 O PHE B 22 3.616 7.413 -1.536 1.00 0.00 O ATOM 853 CB PHE B 22 4.195 6.272 0.960 1.00 0.00 C ATOM 854 CG PHE B 22 3.625 5.368 2.017 1.00 0.00 C ATOM 855 CD1 PHE B 22 4.201 4.125 2.272 1.00 0.00 C ATOM 856 CD2 PHE B 22 2.511 5.750 2.761 1.00 0.00 C ATOM 857 CE1 PHE B 22 3.681 3.290 3.240 1.00 0.00 C ATOM 858 CE2 PHE B 22 1.989 4.916 3.730 1.00 0.00 C ATOM 859 CZ PHE B 22 2.576 3.687 3.967 1.00 0.00 C ATOM 0 H PHE B 22 6.630 5.942 -0.072 1.00 0.00 H new ATOM 0 HA PHE B 22 3.945 4.662 -0.388 1.00 0.00 H new ATOM 0 HB2 PHE B 22 5.074 6.776 1.361 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.464 7.045 0.722 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.065 3.811 1.705 1.00 0.00 H new ATOM 0 HD2 PHE B 22 2.050 6.709 2.578 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.137 2.329 3.428 1.00 0.00 H new ATOM 0 HE2 PHE B 22 1.125 5.223 4.301 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.168 3.034 4.725 1.00 0.00 H new ATOM 869 N GLU B 23 5.211 6.158 -2.555 1.00 0.00 N ATOM 870 CA GLU B 23 5.321 6.913 -3.792 1.00 0.00 C ATOM 871 C GLU B 23 5.712 6.062 -4.955 1.00 0.00 C ATOM 872 O GLU B 23 6.238 4.975 -4.784 1.00 0.00 O ATOM 873 CB GLU B 23 6.466 7.904 -3.593 1.00 0.00 C ATOM 874 CG GLU B 23 7.597 7.774 -4.622 1.00 0.00 C ATOM 875 CD GLU B 23 8.857 8.520 -4.219 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.296 8.366 -3.058 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.407 9.254 -5.066 1.00 0.00 O ATOM 0 H GLU B 23 5.838 5.354 -2.527 1.00 0.00 H new ATOM 0 HA GLU B 23 4.353 7.369 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.066 8.917 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU B 23 6.881 7.767 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.835 6.719 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.250 8.152 -5.584 1.00 0.00 H new ATOM 884 N ARG B 24 5.558 6.660 -6.128 1.00 0.00 N ATOM 885 CA ARG B 24 6.006 6.079 -7.361 1.00 0.00 C ATOM 886 C ARG B 24 7.367 6.725 -7.669 1.00 0.00 C ATOM 887 O ARG B 24 7.461 7.791 -8.280 1.00 0.00 O ATOM 888 CB ARG B 24 4.989 6.311 -8.442 1.00 0.00 C ATOM 889 CG ARG B 24 5.484 5.894 -9.785 1.00 0.00 C ATOM 890 CD ARG B 24 4.335 5.819 -10.777 1.00 0.00 C ATOM 891 NE ARG B 24 4.031 4.456 -11.209 1.00 0.00 N ATOM 892 CZ ARG B 24 4.544 3.864 -12.290 1.00 0.00 C ATOM 893 NH1 ARG B 24 5.369 4.524 -13.089 1.00 0.00 N ATOM 894 NH2 ARG B 24 4.208 2.612 -12.582 1.00 0.00 N ATOM 0 H ARG B 24 5.113 7.571 -6.239 1.00 0.00 H new ATOM 0 HA ARG B 24 6.121 4.997 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.079 5.760 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.724 7.368 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.232 6.603 -10.139 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.974 4.923 -9.713 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.445 6.256 -10.325 1.00 0.00 H new ATOM 0 HD3 ARG B 24 4.579 6.424 -11.651 1.00 0.00 H new ATOM 0 HE ARG B 24 3.377 3.916 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG B 24 5.616 5.491 -12.880 1.00 0.00 H new ATOM 0 HH12 ARG B 24 5.757 4.065 -13.913 1.00 0.00 H new ATOM 0 HH21 ARG B 24 3.559 2.105 -11.981 1.00 0.00 H new ATOM 0 HH22 ARG B 24 4.599 2.158 -13.408 1.00 0.00 H new ATOM 908 N PRO B 25 8.417 6.083 -7.129 1.00 0.00 N ATOM 909 CA PRO B 25 9.822 6.503 -7.166 1.00 0.00 C ATOM 910 C PRO B 25 10.239 7.319 -8.368 1.00 0.00 C ATOM 911 O PRO B 25 9.785 7.126 -9.496 1.00 0.00 O ATOM 912 CB PRO B 25 10.589 5.217 -7.034 1.00 0.00 C ATOM 913 CG PRO B 25 9.622 4.240 -6.442 1.00 0.00 C ATOM 914 CD PRO B 25 8.279 4.883 -6.347 1.00 0.00 C ATOM 0 HA PRO B 25 10.024 7.212 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.951 4.874 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.462 5.344 -6.394 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.567 3.343 -7.059 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.960 3.927 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.497 4.235 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO B 25 8.015 5.107 -5.313 1.00 0.00 H new ATOM 922 N SER B 26 11.120 8.252 -8.056 1.00 0.00 N ATOM 923 CA SER B 26 11.688 9.196 -9.001 1.00 0.00 C ATOM 924 C SER B 26 12.203 8.523 -10.215 1.00 0.00 C ATOM 925 O SER B 26 12.065 9.018 -11.336 1.00 0.00 O ATOM 926 CB SER B 26 12.816 9.935 -8.343 1.00 0.00 C ATOM 927 OG SER B 26 13.471 10.813 -9.244 1.00 0.00 O ATOM 0 H SER B 26 11.471 8.378 -7.107 1.00 0.00 H new ATOM 0 HA SER B 26 10.896 9.881 -9.303 1.00 0.00 H new ATOM 0 HB2 SER B 26 12.432 10.504 -7.496 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.536 9.219 -7.946 1.00 0.00 H new ATOM 0 HG SER B 26 14.198 11.277 -8.778 1.00 0.00 H new ATOM 933 N ASP B 27 12.773 7.383 -9.960 1.00 0.00 N ATOM 934 CA ASP B 27 13.315 6.550 -10.997 1.00 0.00 C ATOM 935 C ASP B 27 14.637 7.086 -11.558 1.00 0.00 C ATOM 936 O ASP B 27 15.526 6.261 -11.854 1.00 0.00 O ATOM 937 CB ASP B 27 12.245 6.434 -12.051 1.00 0.00 C ATOM 938 CG ASP B 27 12.716 6.725 -13.466 1.00 0.00 C ATOM 939 OD1 ASP B 27 13.247 5.800 -14.116 1.00 0.00 O ATOM 940 OD2 ASP B 27 12.550 7.875 -13.924 1.00 0.00 O ATOM 941 OXT ASP B 27 14.774 8.321 -11.699 1.00 0.00 O ATOM 0 H ASP B 27 12.877 7.000 -9.020 1.00 0.00 H new ATOM 0 HA ASP B 27 13.574 5.568 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.831 5.426 -12.020 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.434 7.119 -11.804 1.00 0.00 H new TER 946 ASP B 27