USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot -29:sc= 0.808 USER MOD Set 1.2: A 49 GLN : amide:sc= 0.725 K(o=1.5,f=-1.2!) USER MOD Set 2.1: A 22 GLN : amide:sc= -5.53 K(o=-7.7,f=-12!) USER MOD Set 2.2: A 65 GLN : amide:sc= -2.22 K(o=-7.7,f=-9.2!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.013 USER MOD Single : A 6 HIS : no HD1:sc= -2.04 X(o=-2,f=-1.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -166:sc= 0.939 USER MOD Single : A 16 GLN : amide:sc= -5.09! C(o=-5.1!,f=-9.7!) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0269) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 144:sc= -0.236 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 33 GLN : amide:sc=-0.00685 X(o=-0.0068,f=-0.42) USER MOD Single : A 36 SER OG : rot -61:sc= 1.13 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.148) USER MOD Single : A 44 THR OG1 : rot -5:sc= -3.3 USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= 0.091 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -159:sc= -7.11! (180deg=-10.2!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 130:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.143 -28.022 -18.116 1.00 0.00 N ATOM 2 CA LEU A 1 1.112 -27.572 -17.076 1.00 0.00 C ATOM 3 C LEU A 1 0.349 -27.009 -15.881 1.00 0.00 C ATOM 4 O LEU A 1 -0.158 -25.888 -15.922 1.00 0.00 O ATOM 5 CB LEU A 1 2.023 -26.483 -17.664 1.00 0.00 C ATOM 6 CG LEU A 1 3.452 -26.620 -17.113 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.440 -26.503 -15.586 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.035 -27.979 -17.517 1.00 0.00 C ATOM 0 H1 LEU A 1 0.662 -28.406 -18.931 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.474 -28.760 -17.720 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.436 -27.215 -18.423 1.00 0.00 H new ATOM 0 HA LEU A 1 1.719 -28.417 -16.753 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.037 -26.561 -18.751 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.626 -25.498 -17.420 1.00 0.00 H new ATOM 0 HG LEU A 1 4.068 -25.822 -17.528 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.457 -26.601 -15.206 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.037 -25.532 -15.299 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.817 -27.293 -15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.048 -28.072 -17.124 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.414 -28.777 -17.110 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.059 -28.056 -18.604 1.00 0.00 H new ATOM 22 N GLY A 2 0.275 -27.801 -14.815 1.00 0.00 N ATOM 23 CA GLY A 2 -0.428 -27.375 -13.609 1.00 0.00 C ATOM 24 C GLY A 2 0.336 -26.261 -12.903 1.00 0.00 C ATOM 25 O GLY A 2 -0.101 -25.111 -12.872 1.00 0.00 O ATOM 0 H GLY A 2 0.689 -28.732 -14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.428 -27.028 -13.869 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.550 -28.223 -12.935 1.00 0.00 H new ATOM 29 N ALA A 3 1.485 -26.617 -12.334 1.00 0.00 N ATOM 30 CA ALA A 3 2.312 -25.641 -11.625 1.00 0.00 C ATOM 31 C ALA A 3 1.544 -25.040 -10.452 1.00 0.00 C ATOM 32 O ALA A 3 0.816 -24.058 -10.605 1.00 0.00 O ATOM 33 CB ALA A 3 2.743 -24.515 -12.568 1.00 0.00 C ATOM 0 H ALA A 3 1.863 -27.564 -12.349 1.00 0.00 H new ATOM 0 HA ALA A 3 3.195 -26.160 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.357 -23.799 -12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.319 -24.932 -13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.860 -24.011 -12.960 1.00 0.00 H new ATOM 39 N SER A 4 1.714 -25.642 -9.278 1.00 0.00 N ATOM 40 CA SER A 4 1.032 -25.160 -8.080 1.00 0.00 C ATOM 41 C SER A 4 1.478 -23.739 -7.750 1.00 0.00 C ATOM 42 O SER A 4 2.567 -23.309 -8.130 1.00 0.00 O ATOM 43 CB SER A 4 1.339 -26.067 -6.889 1.00 0.00 C ATOM 44 OG SER A 4 1.320 -27.423 -7.314 1.00 0.00 O ATOM 0 H SER A 4 2.311 -26.456 -9.131 1.00 0.00 H new ATOM 0 HA SER A 4 -0.040 -25.169 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.314 -25.819 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.604 -25.911 -6.099 1.00 0.00 H new ATOM 0 HG SER A 4 1.518 -28.007 -6.553 1.00 0.00 H new ATOM 50 N TRP A 5 0.619 -23.015 -7.036 1.00 0.00 N ATOM 51 CA TRP A 5 0.931 -21.639 -6.657 1.00 0.00 C ATOM 52 C TRP A 5 2.168 -21.599 -5.764 1.00 0.00 C ATOM 53 O TRP A 5 2.627 -22.628 -5.269 1.00 0.00 O ATOM 54 CB TRP A 5 -0.247 -21.006 -5.910 1.00 0.00 C ATOM 55 CG TRP A 5 -0.636 -21.876 -4.757 1.00 0.00 C ATOM 56 CD1 TRP A 5 -1.632 -22.793 -4.776 1.00 0.00 C ATOM 57 CD2 TRP A 5 -0.060 -21.927 -3.419 1.00 0.00 C ATOM 58 NE1 TRP A 5 -1.703 -23.402 -3.538 1.00 0.00 N ATOM 59 CE2 TRP A 5 -0.755 -22.903 -2.666 1.00 0.00 C ATOM 60 CE3 TRP A 5 0.988 -21.228 -2.793 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -0.422 -23.177 -1.339 1.00 0.00 C ATOM 62 CZ3 TRP A 5 1.325 -21.500 -1.456 1.00 0.00 C ATOM 63 CH2 TRP A 5 0.622 -22.473 -0.732 1.00 0.00 C ATOM 0 H TRP A 5 -0.287 -23.352 -6.712 1.00 0.00 H new ATOM 0 HA TRP A 5 1.124 -21.075 -7.570 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.027 -20.013 -5.553 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.093 -20.880 -6.585 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.267 -23.013 -5.621 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.374 -24.132 -3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.537 -20.478 -3.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.967 -23.927 -0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.130 -20.956 -0.984 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.887 -22.679 0.295 1.00 0.00 H new ATOM 74 N HIS A 6 2.701 -20.397 -5.565 1.00 0.00 N ATOM 75 CA HIS A 6 3.886 -20.229 -4.730 1.00 0.00 C ATOM 76 C HIS A 6 4.072 -18.762 -4.357 1.00 0.00 C ATOM 77 O HIS A 6 4.349 -18.428 -3.205 1.00 0.00 O ATOM 78 CB HIS A 6 5.136 -20.718 -5.466 1.00 0.00 C ATOM 79 CG HIS A 6 5.336 -22.184 -5.196 1.00 0.00 C ATOM 80 ND1 HIS A 6 5.723 -22.660 -3.953 1.00 0.00 N ATOM 81 CD2 HIS A 6 5.207 -23.291 -5.998 1.00 0.00 C ATOM 82 CE1 HIS A 6 5.812 -24.000 -4.043 1.00 0.00 C ATOM 83 NE2 HIS A 6 5.508 -24.436 -5.267 1.00 0.00 N ATOM 0 H HIS A 6 2.336 -19.533 -5.966 1.00 0.00 H new ATOM 0 HA HIS A 6 3.744 -20.820 -3.825 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.031 -20.546 -6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.009 -20.154 -5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.916 -23.275 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.095 -24.644 -3.224 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.498 -25.401 -5.596 1.00 0.00 H new ATOM 91 N ARG A 7 3.917 -17.893 -5.349 1.00 0.00 N ATOM 92 CA ARG A 7 4.069 -16.458 -5.123 1.00 0.00 C ATOM 93 C ARG A 7 3.202 -15.666 -6.108 1.00 0.00 C ATOM 94 O ARG A 7 3.670 -15.282 -7.180 1.00 0.00 O ATOM 95 CB ARG A 7 5.530 -16.039 -5.298 1.00 0.00 C ATOM 96 CG ARG A 7 6.255 -16.143 -3.955 1.00 0.00 C ATOM 97 CD ARG A 7 7.545 -15.321 -4.006 1.00 0.00 C ATOM 98 NE ARG A 7 8.483 -15.769 -2.975 1.00 0.00 N ATOM 99 CZ ARG A 7 8.349 -15.417 -1.687 1.00 0.00 C ATOM 100 NH1 ARG A 7 7.361 -14.651 -1.290 1.00 0.00 N ATOM 101 NH2 ARG A 7 9.217 -15.846 -0.813 1.00 0.00 N ATOM 0 H ARG A 7 3.688 -18.152 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 7 3.750 -16.243 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.016 -16.677 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.584 -15.017 -5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.612 -15.780 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.484 -17.185 -3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.005 -15.417 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.316 -14.265 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 7 9.263 -16.368 -3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.676 -14.311 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.278 -14.395 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.988 -16.443 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.124 -15.584 0.169 1.00 0.00 H new ATOM 115 N PRO A 8 1.927 -15.410 -5.764 1.00 0.00 N ATOM 116 CA PRO A 8 1.020 -14.657 -6.647 1.00 0.00 C ATOM 117 C PRO A 8 1.204 -13.146 -6.525 1.00 0.00 C ATOM 118 O PRO A 8 0.595 -12.497 -5.674 1.00 0.00 O ATOM 119 CB PRO A 8 -0.353 -15.076 -6.135 1.00 0.00 C ATOM 120 CG PRO A 8 -0.174 -15.529 -4.690 1.00 0.00 C ATOM 121 CD PRO A 8 1.311 -15.848 -4.489 1.00 0.00 C ATOM 0 HA PRO A 8 1.191 -14.868 -7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.056 -14.245 -6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.761 -15.883 -6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.495 -14.748 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.786 -16.407 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.726 -15.311 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.474 -16.910 -4.307 1.00 0.00 H new ATOM 129 N ASP A 9 2.054 -12.594 -7.388 1.00 0.00 N ATOM 130 CA ASP A 9 2.315 -11.158 -7.372 1.00 0.00 C ATOM 131 C ASP A 9 1.078 -10.386 -7.817 1.00 0.00 C ATOM 132 O ASP A 9 0.949 -10.008 -8.982 1.00 0.00 O ATOM 133 CB ASP A 9 3.481 -10.816 -8.302 1.00 0.00 C ATOM 134 CG ASP A 9 4.780 -11.348 -7.707 1.00 0.00 C ATOM 135 OD1 ASP A 9 5.213 -10.809 -6.702 1.00 0.00 O ATOM 136 OD2 ASP A 9 5.324 -12.286 -8.266 1.00 0.00 O ATOM 0 H ASP A 9 2.568 -13.113 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 9 2.571 -10.873 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.314 -11.252 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.546 -9.737 -8.438 1.00 0.00 H new ATOM 141 N LYS A 10 0.168 -10.155 -6.875 1.00 0.00 N ATOM 142 CA LYS A 10 -1.060 -9.424 -7.177 1.00 0.00 C ATOM 143 C LYS A 10 -1.898 -9.248 -5.918 1.00 0.00 C ATOM 144 O LYS A 10 -2.111 -8.131 -5.445 1.00 0.00 O ATOM 145 CB LYS A 10 -1.885 -10.173 -8.227 1.00 0.00 C ATOM 146 CG LYS A 10 -2.746 -9.176 -9.005 1.00 0.00 C ATOM 147 CD LYS A 10 -1.844 -8.255 -9.829 1.00 0.00 C ATOM 148 CE LYS A 10 -2.625 -7.715 -11.028 1.00 0.00 C ATOM 149 NZ LYS A 10 -1.898 -6.550 -11.608 1.00 0.00 N ATOM 0 H LYS A 10 0.255 -10.460 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.782 -8.445 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.225 -10.709 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.518 -10.918 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.435 -9.709 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.352 -8.588 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.488 -7.430 -9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.964 -8.800 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.743 -8.495 -11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.626 -7.416 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.428 -6.181 -12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.807 -5.804 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.951 -6.850 -11.917 1.00 0.00 H new ATOM 163 N CYS A 11 -2.371 -10.366 -5.380 1.00 0.00 N ATOM 164 CA CYS A 11 -3.190 -10.335 -4.171 1.00 0.00 C ATOM 165 C CYS A 11 -2.345 -10.720 -2.957 1.00 0.00 C ATOM 166 O CYS A 11 -2.461 -11.822 -2.419 1.00 0.00 O ATOM 167 CB CYS A 11 -4.369 -11.309 -4.287 1.00 0.00 C ATOM 168 SG CYS A 11 -5.256 -11.038 -5.844 1.00 0.00 S ATOM 0 H CYS A 11 -2.204 -11.299 -5.757 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.575 -9.322 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.007 -12.336 -4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.048 -11.172 -3.445 1.00 0.00 H new ATOM 173 N CYS A 12 -1.487 -9.798 -2.533 1.00 0.00 N ATOM 174 CA CYS A 12 -0.620 -10.050 -1.383 1.00 0.00 C ATOM 175 C CYS A 12 -1.451 -10.294 -0.127 1.00 0.00 C ATOM 176 O CYS A 12 -2.361 -9.529 0.193 1.00 0.00 O ATOM 177 CB CYS A 12 0.315 -8.861 -1.142 1.00 0.00 C ATOM 178 SG CYS A 12 -0.656 -7.341 -0.984 1.00 0.00 S ATOM 0 H CYS A 12 -1.372 -8.879 -2.961 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.027 -10.938 -1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.901 -9.025 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.021 -8.768 -1.967 1.00 0.00 H new ATOM 183 N LEU A 13 -1.127 -11.373 0.581 1.00 0.00 N ATOM 184 CA LEU A 13 -1.845 -11.717 1.804 1.00 0.00 C ATOM 185 C LEU A 13 -1.297 -10.920 2.984 1.00 0.00 C ATOM 186 O LEU A 13 -2.032 -10.550 3.899 1.00 0.00 O ATOM 187 CB LEU A 13 -1.709 -13.210 2.106 1.00 0.00 C ATOM 188 CG LEU A 13 -1.829 -14.132 0.891 1.00 0.00 C ATOM 189 CD1 LEU A 13 -1.035 -15.416 1.143 1.00 0.00 C ATOM 190 CD2 LEU A 13 -3.301 -14.482 0.660 1.00 0.00 C ATOM 0 H LEU A 13 -0.378 -12.019 0.331 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.897 -11.473 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.742 -13.382 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.473 -13.489 2.831 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.432 -13.626 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.121 -16.073 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.014 -15.169 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.432 -15.922 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.387 -15.139 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.697 -14.988 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.868 -13.569 0.480 1.00 0.00 H new ATOM 202 N GLY A 14 0.008 -10.661 2.949 1.00 0.00 N ATOM 203 CA GLY A 14 0.654 -9.906 4.019 1.00 0.00 C ATOM 204 C GLY A 14 0.461 -8.408 3.814 1.00 0.00 C ATOM 205 O GLY A 14 -0.125 -7.972 2.823 1.00 0.00 O ATOM 0 H GLY A 14 0.633 -10.959 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.239 -10.203 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.718 -10.140 4.045 1.00 0.00 H new ATOM 209 N TYR A 15 0.961 -7.622 4.764 1.00 0.00 N ATOM 210 CA TYR A 15 0.838 -6.169 4.679 1.00 0.00 C ATOM 211 C TYR A 15 2.063 -5.491 5.285 1.00 0.00 C ATOM 212 O TYR A 15 3.008 -6.152 5.715 1.00 0.00 O ATOM 213 CB TYR A 15 -0.414 -5.694 5.418 1.00 0.00 C ATOM 214 CG TYR A 15 -1.640 -6.247 4.734 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.114 -7.522 5.068 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.303 -5.487 3.764 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.249 -8.036 4.432 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.439 -5.999 3.128 1.00 0.00 C ATOM 219 CZ TYR A 15 -3.912 -7.275 3.462 1.00 0.00 C ATOM 220 OH TYR A 15 -5.032 -7.780 2.835 1.00 0.00 O ATOM 0 H TYR A 15 1.450 -7.961 5.593 1.00 0.00 H new ATOM 0 HA TYR A 15 0.761 -5.900 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.384 -6.024 6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.451 -4.605 5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.603 -8.109 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.937 -4.504 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.614 -9.020 4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.951 -5.411 2.380 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.238 -7.236 2.046 1.00 0.00 H new ATOM 230 N GLN A 16 2.034 -4.161 5.310 1.00 0.00 N ATOM 231 CA GLN A 16 3.147 -3.390 5.862 1.00 0.00 C ATOM 232 C GLN A 16 3.378 -3.744 7.326 1.00 0.00 C ATOM 233 O GLN A 16 4.502 -4.036 7.735 1.00 0.00 O ATOM 234 CB GLN A 16 2.863 -1.887 5.761 1.00 0.00 C ATOM 235 CG GLN A 16 4.103 -1.089 6.187 1.00 0.00 C ATOM 236 CD GLN A 16 5.266 -1.379 5.239 1.00 0.00 C ATOM 237 OE1 GLN A 16 5.083 -1.979 4.179 1.00 0.00 O ATOM 238 NE2 GLN A 16 6.466 -0.981 5.562 1.00 0.00 N ATOM 0 H GLN A 16 1.260 -3.598 4.958 1.00 0.00 H new ATOM 0 HA GLN A 16 4.037 -3.637 5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.588 -1.628 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.016 -1.625 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.878 -0.023 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.381 -1.352 7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.620 -0.484 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.250 -1.167 4.937 1.00 0.00 H new ATOM 247 N LYS A 17 2.293 -3.686 8.109 1.00 0.00 N ATOM 248 CA LYS A 17 2.324 -3.973 9.558 1.00 0.00 C ATOM 249 C LYS A 17 2.647 -2.707 10.353 1.00 0.00 C ATOM 250 O LYS A 17 2.044 -2.445 11.394 1.00 0.00 O ATOM 251 CB LYS A 17 3.338 -5.070 9.925 1.00 0.00 C ATOM 252 CG LYS A 17 2.950 -5.697 11.265 1.00 0.00 C ATOM 253 CD LYS A 17 3.370 -7.169 11.281 1.00 0.00 C ATOM 254 CE LYS A 17 2.724 -7.871 12.477 1.00 0.00 C ATOM 255 NZ LYS A 17 3.363 -7.393 13.736 1.00 0.00 N ATOM 0 H LYS A 17 1.367 -3.439 7.760 1.00 0.00 H new ATOM 0 HA LYS A 17 1.329 -4.335 9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.361 -5.834 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.341 -4.647 9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.433 -5.161 12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.874 -5.613 11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.067 -7.655 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.455 -7.248 11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.654 -7.666 12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.840 -8.951 12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.985 -7.930 14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.392 -7.533 13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.159 -6.382 13.867 1.00 0.00 H new ATOM 269 N ARG A 18 3.595 -1.917 9.851 1.00 0.00 N ATOM 270 CA ARG A 18 3.976 -0.678 10.522 1.00 0.00 C ATOM 271 C ARG A 18 3.449 0.527 9.734 1.00 0.00 C ATOM 272 O ARG A 18 3.240 0.435 8.525 1.00 0.00 O ATOM 273 CB ARG A 18 5.499 -0.574 10.635 1.00 0.00 C ATOM 274 CG ARG A 18 6.127 -0.750 9.251 1.00 0.00 C ATOM 275 CD ARG A 18 7.614 -0.401 9.318 1.00 0.00 C ATOM 276 NE ARG A 18 8.359 -1.445 10.026 1.00 0.00 N ATOM 277 CZ ARG A 18 9.677 -1.349 10.255 1.00 0.00 C ATOM 278 NH1 ARG A 18 10.364 -0.306 9.854 1.00 0.00 N ATOM 279 NH2 ARG A 18 10.287 -2.311 10.891 1.00 0.00 N ATOM 0 H ARG A 18 4.108 -2.111 8.991 1.00 0.00 H new ATOM 0 HA ARG A 18 3.542 -0.684 11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.778 0.394 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.877 -1.336 11.317 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.999 -1.777 8.910 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.624 -0.108 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.011 -0.284 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.746 0.555 9.825 1.00 0.00 H new ATOM 0 HE ARG A 18 7.859 -2.271 10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.896 0.452 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.366 -0.253 10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.762 -3.126 11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.289 -2.248 11.071 1.00 0.00 H new ATOM 293 N PRO A 19 3.220 1.669 10.403 1.00 0.00 N ATOM 294 CA PRO A 19 2.707 2.875 9.728 1.00 0.00 C ATOM 295 C PRO A 19 3.804 3.699 9.057 1.00 0.00 C ATOM 296 O PRO A 19 4.864 3.940 9.636 1.00 0.00 O ATOM 297 CB PRO A 19 2.076 3.644 10.882 1.00 0.00 C ATOM 298 CG PRO A 19 2.754 3.170 12.164 1.00 0.00 C ATOM 299 CD PRO A 19 3.448 1.839 11.856 1.00 0.00 C ATOM 0 HA PRO A 19 2.023 2.638 8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.212 4.717 10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.002 3.462 10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.478 3.908 12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.021 3.044 12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.511 1.874 12.096 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.018 1.018 12.430 1.00 0.00 H new ATOM 307 N LEU A 20 3.532 4.130 7.826 1.00 0.00 N ATOM 308 CA LEU A 20 4.499 4.930 7.073 1.00 0.00 C ATOM 309 C LEU A 20 4.012 6.380 6.957 1.00 0.00 C ATOM 310 O LEU A 20 2.808 6.637 6.985 1.00 0.00 O ATOM 311 CB LEU A 20 4.705 4.362 5.657 1.00 0.00 C ATOM 312 CG LEU A 20 4.411 2.867 5.482 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.861 2.418 4.090 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.168 2.067 6.545 1.00 0.00 C ATOM 0 H LEU A 20 2.660 3.942 7.332 1.00 0.00 H new ATOM 0 HA LEU A 20 5.446 4.897 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.071 4.920 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.738 4.546 5.360 1.00 0.00 H new ATOM 0 HG LEU A 20 3.341 2.694 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.652 1.355 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.321 2.985 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.931 2.593 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.958 1.005 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.239 2.240 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.847 2.385 7.537 1.00 0.00 H new ATOM 326 N PRO A 21 4.935 7.347 6.816 1.00 0.00 N ATOM 327 CA PRO A 21 4.560 8.766 6.689 1.00 0.00 C ATOM 328 C PRO A 21 4.180 9.140 5.259 1.00 0.00 C ATOM 329 O PRO A 21 4.874 8.787 4.306 1.00 0.00 O ATOM 330 CB PRO A 21 5.840 9.482 7.110 1.00 0.00 C ATOM 331 CG PRO A 21 6.992 8.511 6.870 1.00 0.00 C ATOM 332 CD PRO A 21 6.396 7.101 6.778 1.00 0.00 C ATOM 0 HA PRO A 21 3.685 9.024 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.979 10.396 6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.792 9.772 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.521 8.764 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.717 8.568 7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.695 6.597 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.720 6.472 7.607 1.00 0.00 H new ATOM 340 N GLN A 22 3.075 9.863 5.120 1.00 0.00 N ATOM 341 CA GLN A 22 2.616 10.287 3.799 1.00 0.00 C ATOM 342 C GLN A 22 3.594 11.281 3.163 1.00 0.00 C ATOM 343 O GLN A 22 3.516 11.563 1.968 1.00 0.00 O ATOM 344 CB GLN A 22 1.240 10.948 3.899 1.00 0.00 C ATOM 345 CG GLN A 22 0.611 11.052 2.502 1.00 0.00 C ATOM 346 CD GLN A 22 -0.020 12.429 2.321 1.00 0.00 C ATOM 347 OE1 GLN A 22 -0.606 12.978 3.254 1.00 0.00 O ATOM 348 NE2 GLN A 22 0.068 13.027 1.164 1.00 0.00 N ATOM 0 H GLN A 22 2.485 10.166 5.895 1.00 0.00 H new ATOM 0 HA GLN A 22 2.557 9.396 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.594 10.366 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.334 11.940 4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.371 10.887 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.144 10.276 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.553 12.572 0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.349 13.949 1.033 1.00 0.00 H new ATOM 357 N VAL A 23 4.514 11.821 3.972 1.00 0.00 N ATOM 358 CA VAL A 23 5.492 12.791 3.479 1.00 0.00 C ATOM 359 C VAL A 23 6.249 12.251 2.262 1.00 0.00 C ATOM 360 O VAL A 23 6.615 12.999 1.356 1.00 0.00 O ATOM 361 CB VAL A 23 6.479 13.150 4.602 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.269 11.909 5.026 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.451 14.227 4.120 1.00 0.00 C ATOM 0 H VAL A 23 4.599 11.603 4.965 1.00 0.00 H new ATOM 0 HA VAL A 23 4.956 13.687 3.166 1.00 0.00 H new ATOM 0 HB VAL A 23 5.914 13.527 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.965 12.175 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.580 11.145 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.825 11.522 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.146 14.475 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.007 13.856 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.893 15.119 3.835 1.00 0.00 H new ATOM 373 N LEU A 24 6.468 10.946 2.255 1.00 0.00 N ATOM 374 CA LEU A 24 7.168 10.304 1.149 1.00 0.00 C ATOM 375 C LEU A 24 6.170 9.602 0.238 1.00 0.00 C ATOM 376 O LEU A 24 6.374 9.489 -0.970 1.00 0.00 O ATOM 377 CB LEU A 24 8.155 9.263 1.677 1.00 0.00 C ATOM 378 CG LEU A 24 7.516 8.114 2.467 1.00 0.00 C ATOM 379 CD1 LEU A 24 6.976 7.047 1.502 1.00 0.00 C ATOM 380 CD2 LEU A 24 8.563 7.495 3.391 1.00 0.00 C ATOM 0 H LEU A 24 6.174 10.311 2.997 1.00 0.00 H new ATOM 0 HA LEU A 24 7.705 11.073 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.705 8.844 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.883 9.764 2.316 1.00 0.00 H new ATOM 0 HG LEU A 24 6.688 8.501 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.524 6.236 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.226 7.493 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.795 6.654 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.113 6.678 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.392 7.112 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.932 8.253 4.082 1.00 0.00 H new ATOM 392 N LEU A 25 5.094 9.111 0.848 1.00 0.00 N ATOM 393 CA LEU A 25 4.063 8.392 0.103 1.00 0.00 C ATOM 394 C LEU A 25 3.489 9.254 -1.016 1.00 0.00 C ATOM 395 O LEU A 25 3.478 10.482 -0.937 1.00 0.00 O ATOM 396 CB LEU A 25 2.929 7.963 1.039 1.00 0.00 C ATOM 397 CG LEU A 25 2.260 6.628 0.695 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.322 5.535 0.557 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.286 6.249 1.813 1.00 0.00 C ATOM 0 H LEU A 25 4.914 9.197 1.848 1.00 0.00 H new ATOM 0 HA LEU A 25 4.529 7.510 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.322 7.902 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.167 8.742 1.039 1.00 0.00 H new ATOM 0 HG LEU A 25 1.721 6.727 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.840 4.588 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.019 5.803 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.864 5.434 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.808 5.300 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.830 6.153 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.526 7.024 1.911 1.00 0.00 H new ATOM 411 N SER A 26 3.019 8.586 -2.065 1.00 0.00 N ATOM 412 CA SER A 26 2.448 9.290 -3.213 1.00 0.00 C ATOM 413 C SER A 26 0.952 9.005 -3.347 1.00 0.00 C ATOM 414 O SER A 26 0.121 9.893 -3.157 1.00 0.00 O ATOM 415 CB SER A 26 3.156 8.868 -4.502 1.00 0.00 C ATOM 416 OG SER A 26 3.287 9.999 -5.355 1.00 0.00 O ATOM 0 H SER A 26 3.021 7.569 -2.146 1.00 0.00 H new ATOM 0 HA SER A 26 2.590 10.358 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.138 8.454 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.589 8.084 -5.003 1.00 0.00 H new ATOM 0 HG SER A 26 3.742 9.734 -6.182 1.00 0.00 H new ATOM 422 N SER A 27 0.616 7.762 -3.687 1.00 0.00 N ATOM 423 CA SER A 27 -0.786 7.381 -3.856 1.00 0.00 C ATOM 424 C SER A 27 -0.991 5.909 -3.486 1.00 0.00 C ATOM 425 O SER A 27 -0.136 5.290 -2.853 1.00 0.00 O ATOM 426 CB SER A 27 -1.219 7.604 -5.308 1.00 0.00 C ATOM 427 OG SER A 27 -0.654 6.590 -6.128 1.00 0.00 O ATOM 0 H SER A 27 1.285 7.010 -3.849 1.00 0.00 H new ATOM 0 HA SER A 27 -1.392 8.001 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.306 7.584 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.894 8.587 -5.650 1.00 0.00 H new ATOM 0 HG SER A 27 -0.931 6.729 -7.058 1.00 0.00 H new ATOM 433 N TRP A 28 -2.139 5.358 -3.885 1.00 0.00 N ATOM 434 CA TRP A 28 -2.452 3.959 -3.588 1.00 0.00 C ATOM 435 C TRP A 28 -3.403 3.394 -4.636 1.00 0.00 C ATOM 436 O TRP A 28 -4.332 4.069 -5.077 1.00 0.00 O ATOM 437 CB TRP A 28 -3.117 3.833 -2.212 1.00 0.00 C ATOM 438 CG TRP A 28 -4.269 4.786 -2.122 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.167 6.089 -1.769 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.683 4.543 -2.385 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.425 6.662 -1.798 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.393 5.749 -2.173 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.414 3.406 -2.783 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.775 5.823 -2.350 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.804 3.480 -2.961 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.483 4.687 -2.746 1.00 0.00 C ATOM 0 H TRP A 28 -2.861 5.853 -4.409 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.516 3.401 -3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.464 2.811 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.393 4.047 -1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.251 6.598 -1.507 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.615 7.638 -1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.901 2.471 -2.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.294 6.755 -2.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.354 2.602 -3.265 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.553 4.738 -2.887 1.00 0.00 H new ATOM 457 N TYR A 29 -3.172 2.139 -5.023 1.00 0.00 N ATOM 458 CA TYR A 29 -4.035 1.496 -6.013 1.00 0.00 C ATOM 459 C TYR A 29 -4.629 0.199 -5.438 1.00 0.00 C ATOM 460 O TYR A 29 -3.929 -0.554 -4.760 1.00 0.00 O ATOM 461 CB TYR A 29 -3.262 1.205 -7.314 1.00 0.00 C ATOM 462 CG TYR A 29 -2.220 0.121 -7.115 1.00 0.00 C ATOM 463 CD1 TYR A 29 -1.006 0.411 -6.478 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.468 -1.173 -7.590 1.00 0.00 C ATOM 465 CE1 TYR A 29 -0.044 -0.593 -6.316 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.504 -2.175 -7.430 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.292 -1.885 -6.793 1.00 0.00 C ATOM 468 OH TYR A 29 0.657 -2.874 -6.634 1.00 0.00 O ATOM 0 H TYR A 29 -2.410 1.557 -4.674 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.850 2.180 -6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.961 0.900 -8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.777 2.117 -7.661 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.813 1.409 -6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.404 -1.398 -8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.890 -0.370 -5.822 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.695 -3.172 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 29 1.550 -2.471 -6.619 1.00 0.00 H new ATOM 478 N PRO A 30 -5.924 -0.080 -5.682 1.00 0.00 N ATOM 479 CA PRO A 30 -6.569 -1.296 -5.153 1.00 0.00 C ATOM 480 C PRO A 30 -6.298 -2.533 -6.003 1.00 0.00 C ATOM 481 O PRO A 30 -6.082 -2.441 -7.212 1.00 0.00 O ATOM 482 CB PRO A 30 -8.046 -0.926 -5.197 1.00 0.00 C ATOM 483 CG PRO A 30 -8.206 0.159 -6.255 1.00 0.00 C ATOM 484 CD PRO A 30 -6.824 0.779 -6.490 1.00 0.00 C ATOM 0 HA PRO A 30 -6.198 -1.564 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.654 -1.797 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.382 -0.568 -4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.600 -0.262 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.915 0.917 -5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.552 0.767 -7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.788 1.818 -6.164 1.00 0.00 H new ATOM 492 N THR A 31 -6.319 -3.692 -5.353 1.00 0.00 N ATOM 493 CA THR A 31 -6.080 -4.953 -6.049 1.00 0.00 C ATOM 494 C THR A 31 -7.401 -5.678 -6.296 1.00 0.00 C ATOM 495 O THR A 31 -8.465 -5.219 -5.879 1.00 0.00 O ATOM 496 CB THR A 31 -5.149 -5.852 -5.226 1.00 0.00 C ATOM 497 OG1 THR A 31 -5.056 -7.133 -5.833 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.694 -5.996 -3.804 1.00 0.00 C ATOM 0 H THR A 31 -6.498 -3.785 -4.353 1.00 0.00 H new ATOM 0 HA THR A 31 -5.606 -4.731 -7.005 1.00 0.00 H new ATOM 0 HB THR A 31 -4.158 -5.400 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.144 -7.477 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.030 -6.635 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.753 -5.013 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.688 -6.442 -3.839 1.00 0.00 H new ATOM 506 N SER A 32 -7.321 -6.812 -6.984 1.00 0.00 N ATOM 507 CA SER A 32 -8.515 -7.597 -7.293 1.00 0.00 C ATOM 508 C SER A 32 -9.126 -8.173 -6.019 1.00 0.00 C ATOM 509 O SER A 32 -8.417 -8.517 -5.073 1.00 0.00 O ATOM 510 CB SER A 32 -8.167 -8.745 -8.241 1.00 0.00 C ATOM 511 OG SER A 32 -7.024 -8.394 -9.009 1.00 0.00 O ATOM 0 H SER A 32 -6.450 -7.208 -7.337 1.00 0.00 H new ATOM 0 HA SER A 32 -9.237 -6.934 -7.771 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.971 -9.654 -7.672 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.010 -8.956 -8.899 1.00 0.00 H new ATOM 0 HG SER A 32 -6.799 -9.130 -9.616 1.00 0.00 H new ATOM 517 N GLN A 33 -10.453 -8.273 -6.005 1.00 0.00 N ATOM 518 CA GLN A 33 -11.157 -8.807 -4.846 1.00 0.00 C ATOM 519 C GLN A 33 -11.574 -10.260 -5.079 1.00 0.00 C ATOM 520 O GLN A 33 -12.548 -10.739 -4.499 1.00 0.00 O ATOM 521 CB GLN A 33 -12.404 -7.971 -4.549 1.00 0.00 C ATOM 522 CG GLN A 33 -13.245 -7.809 -5.819 1.00 0.00 C ATOM 523 CD GLN A 33 -14.724 -7.768 -5.451 1.00 0.00 C ATOM 524 OE1 GLN A 33 -15.093 -7.260 -4.392 1.00 0.00 O ATOM 525 NE2 GLN A 33 -15.602 -8.278 -6.271 1.00 0.00 N ATOM 0 H GLN A 33 -11.057 -7.993 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.475 -8.765 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.996 -8.452 -3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.113 -6.992 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.964 -6.893 -6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.053 -8.636 -6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.296 -8.699 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.594 -8.256 -6.034 1.00 0.00 H new ATOM 534 N LEU A 34 -10.824 -10.959 -5.930 1.00 0.00 N ATOM 535 CA LEU A 34 -11.122 -12.359 -6.224 1.00 0.00 C ATOM 536 C LEU A 34 -9.937 -13.238 -5.828 1.00 0.00 C ATOM 537 O LEU A 34 -9.511 -14.118 -6.577 1.00 0.00 O ATOM 538 CB LEU A 34 -11.415 -12.552 -7.720 1.00 0.00 C ATOM 539 CG LEU A 34 -12.376 -11.536 -8.357 1.00 0.00 C ATOM 540 CD1 LEU A 34 -13.611 -11.350 -7.471 1.00 0.00 C ATOM 541 CD2 LEU A 34 -11.663 -10.192 -8.528 1.00 0.00 C ATOM 0 H LEU A 34 -10.014 -10.583 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.003 -12.646 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.470 -12.517 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.828 -13.551 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.691 -11.910 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.285 -10.628 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.125 -12.305 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.304 -10.985 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.346 -9.473 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.341 -9.824 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.793 -10.321 -9.172 1.00 0.00 H new ATOM 553 N CYS A 35 -9.401 -12.978 -4.638 1.00 0.00 N ATOM 554 CA CYS A 35 -8.254 -13.738 -4.146 1.00 0.00 C ATOM 555 C CYS A 35 -8.445 -14.185 -2.694 1.00 0.00 C ATOM 556 O CYS A 35 -7.517 -14.709 -2.078 1.00 0.00 O ATOM 557 CB CYS A 35 -6.997 -12.874 -4.214 1.00 0.00 C ATOM 558 SG CYS A 35 -6.537 -12.596 -5.940 1.00 0.00 S ATOM 0 H CYS A 35 -9.738 -12.255 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.158 -14.622 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.173 -11.920 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.179 -13.363 -3.685 1.00 0.00 H new ATOM 563 N SER A 36 -9.638 -13.959 -2.138 1.00 0.00 N ATOM 564 CA SER A 36 -9.906 -14.331 -0.749 1.00 0.00 C ATOM 565 C SER A 36 -8.924 -13.635 0.207 1.00 0.00 C ATOM 566 O SER A 36 -8.748 -14.062 1.348 1.00 0.00 O ATOM 567 CB SER A 36 -9.811 -15.853 -0.568 1.00 0.00 C ATOM 568 OG SER A 36 -8.453 -16.237 -0.382 1.00 0.00 O ATOM 0 H SER A 36 -10.424 -13.526 -2.622 1.00 0.00 H new ATOM 0 HA SER A 36 -10.918 -14.006 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.406 -16.163 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.224 -16.358 -1.441 1.00 0.00 H new ATOM 0 HG SER A 36 -7.931 -15.985 -1.172 1.00 0.00 H new ATOM 574 N LYS A 37 -8.293 -12.558 -0.269 1.00 0.00 N ATOM 575 CA LYS A 37 -7.343 -11.810 0.548 1.00 0.00 C ATOM 576 C LYS A 37 -6.971 -10.504 -0.174 1.00 0.00 C ATOM 577 O LYS A 37 -5.822 -10.308 -0.576 1.00 0.00 O ATOM 578 CB LYS A 37 -6.079 -12.649 0.809 1.00 0.00 C ATOM 579 CG LYS A 37 -6.016 -13.054 2.285 1.00 0.00 C ATOM 580 CD LYS A 37 -5.858 -11.803 3.153 1.00 0.00 C ATOM 581 CE LYS A 37 -5.003 -12.134 4.377 1.00 0.00 C ATOM 582 NZ LYS A 37 -5.667 -13.204 5.173 1.00 0.00 N ATOM 0 H LYS A 37 -8.424 -12.189 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.803 -11.577 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.086 -13.539 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.191 -12.077 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.922 -13.591 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.179 -13.733 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.392 -11.004 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.836 -11.440 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.012 -12.461 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.865 -11.243 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.246 -13.242 6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.683 -12.997 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.536 -14.121 4.699 1.00 0.00 H new ATOM 596 N PRO A 38 -7.944 -9.596 -0.366 1.00 0.00 N ATOM 597 CA PRO A 38 -7.692 -8.322 -1.064 1.00 0.00 C ATOM 598 C PRO A 38 -7.090 -7.251 -0.160 1.00 0.00 C ATOM 599 O PRO A 38 -6.636 -7.530 0.950 1.00 0.00 O ATOM 600 CB PRO A 38 -9.088 -7.918 -1.518 1.00 0.00 C ATOM 601 CG PRO A 38 -10.079 -8.606 -0.586 1.00 0.00 C ATOM 602 CD PRO A 38 -9.345 -9.769 0.090 1.00 0.00 C ATOM 0 HA PRO A 38 -6.965 -8.430 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.208 -6.835 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.259 -8.219 -2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.455 -7.905 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.941 -8.970 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.424 -9.718 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.752 -10.733 -0.215 1.00 0.00 H new ATOM 610 N GLY A 39 -7.093 -6.020 -0.660 1.00 0.00 N ATOM 611 CA GLY A 39 -6.548 -4.891 0.085 1.00 0.00 C ATOM 612 C GLY A 39 -6.132 -3.789 -0.880 1.00 0.00 C ATOM 613 O GLY A 39 -6.744 -3.607 -1.932 1.00 0.00 O ATOM 0 H GLY A 39 -7.467 -5.779 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.293 -4.512 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.690 -5.213 0.675 1.00 0.00 H new ATOM 617 N VAL A 40 -5.079 -3.059 -0.523 1.00 0.00 N ATOM 618 CA VAL A 40 -4.597 -1.987 -1.387 1.00 0.00 C ATOM 619 C VAL A 40 -3.096 -1.786 -1.212 1.00 0.00 C ATOM 620 O VAL A 40 -2.571 -1.825 -0.101 1.00 0.00 O ATOM 621 CB VAL A 40 -5.305 -0.665 -1.079 1.00 0.00 C ATOM 622 CG1 VAL A 40 -4.951 0.367 -2.150 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.819 -0.877 -1.068 1.00 0.00 C ATOM 0 H VAL A 40 -4.552 -3.186 0.341 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.814 -2.282 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.981 -0.307 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.456 1.308 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.873 0.527 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.272 0.003 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.317 0.067 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.143 -1.240 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.078 -1.610 -0.304 1.00 0.00 H new ATOM 633 N ILE A 41 -2.422 -1.554 -2.330 1.00 0.00 N ATOM 634 CA ILE A 41 -0.984 -1.327 -2.316 1.00 0.00 C ATOM 635 C ILE A 41 -0.711 0.176 -2.422 1.00 0.00 C ATOM 636 O ILE A 41 -1.343 0.884 -3.207 1.00 0.00 O ATOM 637 CB ILE A 41 -0.327 -2.091 -3.482 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.343 -3.586 -3.163 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.128 -1.646 -3.694 1.00 0.00 C ATOM 640 CD1 ILE A 41 -1.762 -4.132 -3.330 1.00 0.00 C ATOM 0 H ILE A 41 -2.847 -1.518 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.556 -1.695 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.888 -1.879 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.342 -4.117 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.004 -3.754 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.562 -2.204 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.153 -0.580 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.703 -1.837 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.771 -5.198 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.435 -3.610 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.093 -3.978 -4.357 1.00 0.00 H new ATOM 652 N PHE A 42 0.234 0.649 -1.617 1.00 0.00 N ATOM 653 CA PHE A 42 0.584 2.065 -1.620 1.00 0.00 C ATOM 654 C PHE A 42 1.845 2.299 -2.444 1.00 0.00 C ATOM 655 O PHE A 42 2.895 1.712 -2.181 1.00 0.00 O ATOM 656 CB PHE A 42 0.825 2.559 -0.188 1.00 0.00 C ATOM 657 CG PHE A 42 -0.429 3.204 0.348 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.403 2.424 0.983 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.619 4.585 0.211 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.565 3.026 1.481 1.00 0.00 C ATOM 661 CE2 PHE A 42 -1.780 5.185 0.708 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.754 4.405 1.344 1.00 0.00 C ATOM 0 H PHE A 42 0.767 0.079 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.246 2.617 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.117 1.725 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.647 3.274 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.258 1.359 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.132 5.187 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.316 2.425 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.926 6.250 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.651 4.868 1.728 1.00 0.00 H new ATOM 672 N LEU A 43 1.733 3.173 -3.437 1.00 0.00 N ATOM 673 CA LEU A 43 2.872 3.492 -4.290 1.00 0.00 C ATOM 674 C LEU A 43 3.525 4.783 -3.817 1.00 0.00 C ATOM 675 O LEU A 43 3.038 5.879 -4.097 1.00 0.00 O ATOM 676 CB LEU A 43 2.426 3.664 -5.742 1.00 0.00 C ATOM 677 CG LEU A 43 1.657 2.479 -6.333 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.653 2.984 -7.370 1.00 0.00 C ATOM 679 CD2 LEU A 43 2.642 1.519 -7.004 1.00 0.00 C ATOM 0 H LEU A 43 0.873 3.670 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 43 3.585 2.670 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.799 4.553 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.307 3.847 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 43 1.124 1.959 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.107 2.139 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.048 3.669 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.184 3.504 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.097 0.674 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.174 2.041 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.357 1.157 -6.266 1.00 0.00 H new ATOM 691 N THR A 44 4.631 4.648 -3.090 1.00 0.00 N ATOM 692 CA THR A 44 5.335 5.819 -2.582 1.00 0.00 C ATOM 693 C THR A 44 5.830 6.684 -3.739 1.00 0.00 C ATOM 694 O THR A 44 5.778 6.276 -4.900 1.00 0.00 O ATOM 695 CB THR A 44 6.523 5.383 -1.715 1.00 0.00 C ATOM 696 OG1 THR A 44 7.416 4.572 -2.477 1.00 0.00 O ATOM 697 CG2 THR A 44 6.011 4.572 -0.525 1.00 0.00 C ATOM 0 H THR A 44 5.053 3.753 -2.843 1.00 0.00 H new ATOM 0 HA THR A 44 4.644 6.404 -1.975 1.00 0.00 H new ATOM 0 HB THR A 44 7.050 6.271 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.032 4.406 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.853 4.261 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.333 5.185 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.481 3.691 -0.886 1.00 0.00 H new ATOM 705 N LYS A 45 6.308 7.881 -3.415 1.00 0.00 N ATOM 706 CA LYS A 45 6.807 8.791 -4.442 1.00 0.00 C ATOM 707 C LYS A 45 7.993 8.169 -5.173 1.00 0.00 C ATOM 708 O LYS A 45 7.975 8.011 -6.394 1.00 0.00 O ATOM 709 CB LYS A 45 7.242 10.118 -3.819 1.00 0.00 C ATOM 710 CG LYS A 45 6.008 10.977 -3.539 1.00 0.00 C ATOM 711 CD LYS A 45 6.267 11.873 -2.322 1.00 0.00 C ATOM 712 CE LYS A 45 6.636 13.283 -2.790 1.00 0.00 C ATOM 713 NZ LYS A 45 7.287 14.023 -1.672 1.00 0.00 N ATOM 0 H LYS A 45 6.361 8.241 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 45 5.999 8.974 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.789 9.936 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.919 10.644 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.774 11.589 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.143 10.339 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.380 11.910 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.073 11.457 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.309 13.229 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.743 13.814 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.990 15.020 -1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.005 13.600 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.320 13.967 -1.774 1.00 0.00 H new ATOM 727 N ARG A 46 9.025 7.821 -4.411 1.00 0.00 N ATOM 728 CA ARG A 46 10.221 7.217 -4.995 1.00 0.00 C ATOM 729 C ARG A 46 10.607 5.911 -4.286 1.00 0.00 C ATOM 730 O ARG A 46 11.588 5.267 -4.659 1.00 0.00 O ATOM 731 CB ARG A 46 11.398 8.188 -4.897 1.00 0.00 C ATOM 732 CG ARG A 46 12.566 7.661 -5.732 1.00 0.00 C ATOM 733 CD ARG A 46 13.497 8.820 -6.096 1.00 0.00 C ATOM 734 NE ARG A 46 14.302 8.486 -7.273 1.00 0.00 N ATOM 735 CZ ARG A 46 15.394 9.188 -7.612 1.00 0.00 C ATOM 736 NH1 ARG A 46 15.792 10.214 -6.899 1.00 0.00 N ATOM 737 NH2 ARG A 46 16.073 8.842 -8.672 1.00 0.00 N ATOM 0 H ARG A 46 9.060 7.944 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 46 9.992 6.994 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.100 9.175 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.703 8.302 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.114 6.902 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.193 7.182 -6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.910 9.717 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.151 9.046 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 46 14.024 7.695 -7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.268 10.492 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.625 10.734 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.772 8.045 -9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.905 9.368 -8.939 1.00 0.00 H new ATOM 751 N GLY A 47 9.845 5.525 -3.261 1.00 0.00 N ATOM 752 CA GLY A 47 10.148 4.303 -2.528 1.00 0.00 C ATOM 753 C GLY A 47 9.721 3.067 -3.310 1.00 0.00 C ATOM 754 O GLY A 47 10.291 2.743 -4.352 1.00 0.00 O ATOM 0 H GLY A 47 9.027 6.034 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.218 4.255 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.640 4.319 -1.564 1.00 0.00 H new ATOM 758 N ARG A 48 8.714 2.376 -2.785 1.00 0.00 N ATOM 759 CA ARG A 48 8.213 1.164 -3.429 1.00 0.00 C ATOM 760 C ARG A 48 6.741 0.942 -3.083 1.00 0.00 C ATOM 761 O ARG A 48 6.102 1.784 -2.451 1.00 0.00 O ATOM 762 CB ARG A 48 9.031 -0.051 -2.974 1.00 0.00 C ATOM 763 CG ARG A 48 10.093 -0.382 -4.026 1.00 0.00 C ATOM 764 CD ARG A 48 10.941 -1.560 -3.544 1.00 0.00 C ATOM 765 NE ARG A 48 11.407 -2.360 -4.680 1.00 0.00 N ATOM 766 CZ ARG A 48 11.916 -3.591 -4.524 1.00 0.00 C ATOM 767 NH1 ARG A 48 12.020 -4.138 -3.337 1.00 0.00 N ATOM 768 NH2 ARG A 48 12.315 -4.256 -5.573 1.00 0.00 N ATOM 0 H ARG A 48 8.232 2.630 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 48 8.310 1.285 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.507 0.157 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.374 -0.908 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.616 -0.628 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.727 0.487 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.796 -1.192 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.356 -2.184 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 48 11.342 -1.968 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.711 -3.626 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.410 -5.075 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.238 -3.839 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.704 -5.193 -5.465 1.00 0.00 H new ATOM 782 N GLN A 49 6.218 -0.211 -3.493 1.00 0.00 N ATOM 783 CA GLN A 49 4.827 -0.552 -3.213 1.00 0.00 C ATOM 784 C GLN A 49 4.691 -1.044 -1.773 1.00 0.00 C ATOM 785 O GLN A 49 5.660 -1.499 -1.167 1.00 0.00 O ATOM 786 CB GLN A 49 4.347 -1.651 -4.163 1.00 0.00 C ATOM 787 CG GLN A 49 3.826 -1.018 -5.454 1.00 0.00 C ATOM 788 CD GLN A 49 3.953 -2.017 -6.599 1.00 0.00 C ATOM 789 OE1 GLN A 49 2.983 -2.287 -7.308 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.105 -2.588 -6.826 1.00 0.00 N ATOM 0 H GLN A 49 6.732 -0.920 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 49 4.218 0.341 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.165 -2.336 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.560 -2.237 -3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.785 -0.721 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.391 -0.114 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.909 -2.365 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.201 -3.257 -7.590 1.00 0.00 H new ATOM 799 N VAL A 50 3.481 -0.940 -1.227 1.00 0.00 N ATOM 800 CA VAL A 50 3.244 -1.374 0.149 1.00 0.00 C ATOM 801 C VAL A 50 1.807 -1.863 0.329 1.00 0.00 C ATOM 802 O VAL A 50 0.856 -1.091 0.221 1.00 0.00 O ATOM 803 CB VAL A 50 3.506 -0.215 1.120 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.292 -0.673 2.567 1.00 0.00 C ATOM 805 CG2 VAL A 50 4.948 0.265 0.961 1.00 0.00 C ATOM 0 H VAL A 50 2.662 -0.566 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 50 3.926 -2.197 0.363 1.00 0.00 H new ATOM 0 HB VAL A 50 2.813 0.595 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.482 0.160 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.265 -1.016 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.977 -1.489 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.135 1.088 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.631 -0.555 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.108 0.605 -0.062 1.00 0.00 H new ATOM 815 N CYS A 51 1.666 -3.148 0.639 1.00 0.00 N ATOM 816 CA CYS A 51 0.346 -3.725 0.867 1.00 0.00 C ATOM 817 C CYS A 51 -0.200 -3.216 2.196 1.00 0.00 C ATOM 818 O CYS A 51 0.419 -3.403 3.243 1.00 0.00 O ATOM 819 CB CYS A 51 0.425 -5.252 0.914 1.00 0.00 C ATOM 820 SG CYS A 51 0.730 -5.892 -0.751 1.00 0.00 S ATOM 0 H CYS A 51 2.441 -3.804 0.737 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.311 -3.430 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.223 -5.565 1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.504 -5.663 1.309 1.00 0.00 H new ATOM 825 N ALA A 52 -1.353 -2.555 2.150 1.00 0.00 N ATOM 826 CA ALA A 52 -1.941 -2.015 3.373 1.00 0.00 C ATOM 827 C ALA A 52 -3.427 -2.342 3.464 1.00 0.00 C ATOM 828 O ALA A 52 -4.157 -2.282 2.476 1.00 0.00 O ATOM 829 CB ALA A 52 -1.767 -0.497 3.418 1.00 0.00 C ATOM 0 H ALA A 52 -1.889 -2.382 1.300 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.425 -2.475 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.210 -0.107 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.705 -0.252 3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.262 -0.048 2.557 1.00 0.00 H new ATOM 835 N ASP A 53 -3.862 -2.673 4.677 1.00 0.00 N ATOM 836 CA ASP A 53 -5.266 -2.994 4.913 1.00 0.00 C ATOM 837 C ASP A 53 -6.001 -1.749 5.397 1.00 0.00 C ATOM 838 O ASP A 53 -5.559 -1.072 6.325 1.00 0.00 O ATOM 839 CB ASP A 53 -5.398 -4.095 5.969 1.00 0.00 C ATOM 840 CG ASP A 53 -5.449 -5.458 5.288 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.008 -5.539 4.206 1.00 0.00 O ATOM 842 OD2 ASP A 53 -4.928 -6.402 5.859 1.00 0.00 O ATOM 0 H ASP A 53 -3.268 -2.726 5.505 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.702 -3.345 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.555 -4.054 6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.301 -3.939 6.560 1.00 0.00 H new ATOM 847 N LYS A 54 -7.125 -1.449 4.755 1.00 0.00 N ATOM 848 CA LYS A 54 -7.914 -0.276 5.126 1.00 0.00 C ATOM 849 C LYS A 54 -8.355 -0.355 6.588 1.00 0.00 C ATOM 850 O LYS A 54 -8.580 0.666 7.237 1.00 0.00 O ATOM 851 CB LYS A 54 -9.154 -0.160 4.239 1.00 0.00 C ATOM 852 CG LYS A 54 -8.728 -0.055 2.773 1.00 0.00 C ATOM 853 CD LYS A 54 -9.967 -0.100 1.878 1.00 0.00 C ATOM 854 CE LYS A 54 -9.537 -0.239 0.416 1.00 0.00 C ATOM 855 NZ LYS A 54 -10.737 -0.159 -0.465 1.00 0.00 N ATOM 0 H LYS A 54 -7.509 -1.994 3.983 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.283 0.602 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.797 -1.029 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.736 0.717 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.180 0.873 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.053 -0.873 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.603 -0.938 2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.557 0.807 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.830 0.549 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.025 -1.189 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.445 -0.253 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.397 -0.926 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.208 0.758 -0.328 1.00 0.00 H new ATOM 869 N SER A 55 -8.478 -1.580 7.101 1.00 0.00 N ATOM 870 CA SER A 55 -8.893 -1.782 8.490 1.00 0.00 C ATOM 871 C SER A 55 -7.962 -1.040 9.452 1.00 0.00 C ATOM 872 O SER A 55 -8.368 -0.637 10.542 1.00 0.00 O ATOM 873 CB SER A 55 -8.888 -3.273 8.834 1.00 0.00 C ATOM 874 OG SER A 55 -10.200 -3.794 8.678 1.00 0.00 O ATOM 0 H SER A 55 -8.298 -2.439 6.582 1.00 0.00 H new ATOM 0 HA SER A 55 -9.903 -1.385 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.193 -3.806 8.185 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.545 -3.421 9.858 1.00 0.00 H new ATOM 0 HG SER A 55 -10.201 -4.749 8.896 1.00 0.00 H new ATOM 880 N LYS A 56 -6.709 -0.861 9.033 1.00 0.00 N ATOM 881 CA LYS A 56 -5.731 -0.163 9.865 1.00 0.00 C ATOM 882 C LYS A 56 -6.187 1.268 10.135 1.00 0.00 C ATOM 883 O LYS A 56 -7.296 1.660 9.769 1.00 0.00 O ATOM 884 CB LYS A 56 -4.367 -0.129 9.171 1.00 0.00 C ATOM 885 CG LYS A 56 -3.924 -1.557 8.845 1.00 0.00 C ATOM 886 CD LYS A 56 -3.055 -2.094 9.984 1.00 0.00 C ATOM 887 CE LYS A 56 -3.268 -3.603 10.119 1.00 0.00 C ATOM 888 NZ LYS A 56 -2.575 -4.094 11.345 1.00 0.00 N ATOM 0 H LYS A 56 -6.351 -1.185 8.134 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.645 -0.701 10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.427 0.462 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.631 0.353 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.796 -2.197 8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.365 -1.571 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.005 -1.880 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.312 -1.595 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.333 -3.827 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.881 -4.116 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.719 -5.120 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.557 -3.892 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.965 -3.613 12.180 1.00 0.00 H new ATOM 902 N ASP A 57 -5.323 2.043 10.783 1.00 0.00 N ATOM 903 CA ASP A 57 -5.650 3.429 11.102 1.00 0.00 C ATOM 904 C ASP A 57 -4.809 4.387 10.265 1.00 0.00 C ATOM 905 O ASP A 57 -5.313 5.383 9.745 1.00 0.00 O ATOM 906 CB ASP A 57 -5.401 3.713 12.584 1.00 0.00 C ATOM 907 CG ASP A 57 -3.973 3.318 12.945 1.00 0.00 C ATOM 908 OD1 ASP A 57 -3.649 2.151 12.806 1.00 0.00 O ATOM 909 OD2 ASP A 57 -3.224 4.190 13.356 1.00 0.00 O ATOM 0 H ASP A 57 -4.400 1.740 11.095 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.705 3.582 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.561 4.770 12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.110 3.155 13.196 1.00 0.00 H new ATOM 914 N TRP A 58 -3.522 4.079 10.141 1.00 0.00 N ATOM 915 CA TRP A 58 -2.624 4.929 9.365 1.00 0.00 C ATOM 916 C TRP A 58 -2.903 4.793 7.869 1.00 0.00 C ATOM 917 O TRP A 58 -2.657 5.718 7.094 1.00 0.00 O ATOM 918 CB TRP A 58 -1.155 4.590 9.647 1.00 0.00 C ATOM 919 CG TRP A 58 -0.862 3.156 9.323 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.016 2.118 10.176 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.343 2.592 8.082 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.625 0.953 9.539 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.203 1.193 8.246 1.00 0.00 C ATOM 924 CE3 TRP A 58 0.016 3.152 6.846 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.278 0.381 7.216 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.500 2.339 5.809 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.631 0.957 5.993 1.00 0.00 C ATOM 0 H TRP A 58 -3.082 3.260 10.561 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.809 5.959 9.669 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.509 5.239 9.056 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.928 4.783 10.696 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.384 2.187 11.189 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.646 0.030 9.972 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.081 4.217 6.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.376 -0.684 7.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.773 2.782 4.863 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.004 0.337 5.191 1.00 0.00 H new ATOM 938 N VAL A 59 -3.433 3.639 7.471 1.00 0.00 N ATOM 939 CA VAL A 59 -3.753 3.410 6.066 1.00 0.00 C ATOM 940 C VAL A 59 -5.009 4.186 5.683 1.00 0.00 C ATOM 941 O VAL A 59 -5.146 4.660 4.556 1.00 0.00 O ATOM 942 CB VAL A 59 -3.973 1.921 5.801 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.159 1.682 4.300 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.753 1.140 6.288 1.00 0.00 C ATOM 0 H VAL A 59 -3.647 2.859 8.092 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.914 3.756 5.462 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.865 1.587 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.315 0.619 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.025 2.242 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.269 2.015 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.904 0.077 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.866 1.480 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.618 1.306 7.357 1.00 0.00 H new ATOM 954 N LYS A 60 -5.922 4.315 6.642 1.00 0.00 N ATOM 955 CA LYS A 60 -7.165 5.040 6.402 1.00 0.00 C ATOM 956 C LYS A 60 -6.877 6.516 6.154 1.00 0.00 C ATOM 957 O LYS A 60 -7.456 7.136 5.262 1.00 0.00 O ATOM 958 CB LYS A 60 -8.098 4.910 7.608 1.00 0.00 C ATOM 959 CG LYS A 60 -9.525 5.273 7.191 1.00 0.00 C ATOM 960 CD LYS A 60 -10.465 5.104 8.386 1.00 0.00 C ATOM 961 CE LYS A 60 -11.856 5.626 8.021 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.650 4.530 7.397 1.00 0.00 N ATOM 0 H LYS A 60 -5.826 3.931 7.582 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.645 4.610 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.069 3.892 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.764 5.567 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.559 6.301 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.848 4.636 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.523 4.053 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.076 5.647 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.363 5.995 8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.772 6.466 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.596 4.884 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.168 4.198 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.741 3.741 8.069 1.00 0.00 H new ATOM 976 N LYS A 61 -5.971 7.073 6.954 1.00 0.00 N ATOM 977 CA LYS A 61 -5.608 8.481 6.814 1.00 0.00 C ATOM 978 C LYS A 61 -4.999 8.740 5.441 1.00 0.00 C ATOM 979 O LYS A 61 -5.317 9.730 4.783 1.00 0.00 O ATOM 980 CB LYS A 61 -4.603 8.887 7.893 1.00 0.00 C ATOM 981 CG LYS A 61 -4.755 10.379 8.199 1.00 0.00 C ATOM 982 CD LYS A 61 -4.145 10.684 9.568 1.00 0.00 C ATOM 983 CE LYS A 61 -5.210 10.508 10.653 1.00 0.00 C ATOM 984 NZ LYS A 61 -5.934 11.795 10.852 1.00 0.00 N ATOM 0 H LYS A 61 -5.479 6.578 7.698 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.515 9.074 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.768 8.301 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.588 8.676 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.261 10.971 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.809 10.658 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.303 10.019 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.757 11.702 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.911 9.725 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.745 10.192 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.658 11.676 11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.260 12.531 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.390 12.078 9.961 1.00 0.00 H new ATOM 998 N LEU A 62 -4.124 7.834 5.010 1.00 0.00 N ATOM 999 CA LEU A 62 -3.481 7.971 3.705 1.00 0.00 C ATOM 1000 C LEU A 62 -4.530 7.960 2.604 1.00 0.00 C ATOM 1001 O LEU A 62 -4.497 8.771 1.682 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.509 6.823 3.457 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.352 6.719 4.447 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.771 5.307 4.392 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.269 7.733 4.074 1.00 0.00 C ATOM 0 H LEU A 62 -3.846 7.007 5.538 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.937 8.915 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.067 5.887 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.098 6.928 2.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.710 6.929 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.056 5.226 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.544 4.585 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.410 5.101 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.558 7.659 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.094 7.524 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.686 8.740 4.107 1.00 0.00 H new ATOM 1017 N MET A 63 -5.465 7.022 2.719 1.00 0.00 N ATOM 1018 CA MET A 63 -6.543 6.890 1.733 1.00 0.00 C ATOM 1019 C MET A 63 -7.244 8.230 1.506 1.00 0.00 C ATOM 1020 O MET A 63 -7.631 8.564 0.386 1.00 0.00 O ATOM 1021 CB MET A 63 -7.580 5.872 2.211 1.00 0.00 C ATOM 1022 CG MET A 63 -7.040 4.454 2.005 1.00 0.00 C ATOM 1023 SD MET A 63 -8.401 3.338 1.581 1.00 0.00 S ATOM 1024 CE MET A 63 -7.755 2.796 -0.019 1.00 0.00 C ATOM 0 H MET A 63 -5.502 6.343 3.479 1.00 0.00 H new ATOM 0 HA MET A 63 -6.094 6.554 0.798 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.807 6.036 3.264 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.512 6.001 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.293 4.451 1.211 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.543 4.109 2.911 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.571 2.405 -0.627 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.294 3.641 -0.530 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.010 2.015 0.135 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.397 8.990 2.586 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.048 10.295 2.500 1.00 0.00 C ATOM 1036 C GLN A 64 -7.038 11.374 2.117 1.00 0.00 C ATOM 1037 O GLN A 64 -7.377 12.353 1.454 1.00 0.00 O ATOM 1038 CB GLN A 64 -8.685 10.663 3.841 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.012 9.915 3.999 1.00 0.00 C ATOM 1040 CD GLN A 64 -10.706 10.376 5.276 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -10.228 10.114 6.379 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -11.818 11.054 5.191 1.00 0.00 N ATOM 0 H GLN A 64 -7.084 8.730 3.521 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.821 10.235 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.011 10.406 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.853 11.739 3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.652 10.102 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.834 8.840 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.214 11.271 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.291 11.367 6.039 1.00 0.00 H new ATOM 1051 N GLN A 65 -5.794 11.184 2.547 1.00 0.00 N ATOM 1052 CA GLN A 65 -4.737 12.147 2.250 1.00 0.00 C ATOM 1053 C GLN A 65 -4.351 12.089 0.774 1.00 0.00 C ATOM 1054 O GLN A 65 -4.045 13.108 0.156 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.504 11.858 3.102 1.00 0.00 C ATOM 1056 CG GLN A 65 -3.656 12.540 4.466 1.00 0.00 C ATOM 1057 CD GLN A 65 -2.900 13.866 4.466 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -1.877 14.004 5.136 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -3.349 14.858 3.748 1.00 0.00 N ATOM 0 H GLN A 65 -5.494 10.379 3.098 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.115 13.143 2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.382 10.783 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.608 12.221 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.711 12.712 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.271 11.891 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.197 14.743 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.852 15.749 3.742 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.378 10.882 0.216 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.036 10.692 -1.189 1.00 0.00 C ATOM 1070 C LEU A 66 -5.287 10.299 -1.974 1.00 0.00 C ATOM 1071 O LEU A 66 -6.178 9.645 -1.432 1.00 0.00 O ATOM 1072 CB LEU A 66 -2.986 9.591 -1.341 1.00 0.00 C ATOM 1073 CG LEU A 66 -1.882 9.596 -0.281 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -1.019 8.342 -0.436 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -1.009 10.839 -0.462 1.00 0.00 C ATOM 0 H LEU A 66 -4.631 10.027 0.711 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.631 11.627 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.489 8.624 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.525 9.684 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.332 9.607 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.233 8.346 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.640 7.455 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.569 8.331 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.222 10.844 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.560 10.827 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.622 11.733 -0.352 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.381 10.680 -3.257 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.555 10.331 -4.071 1.00 0.00 C ATOM 1089 C PRO A 67 -6.516 8.868 -4.522 1.00 0.00 C ATOM 1090 O PRO A 67 -7.116 8.003 -3.885 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.448 11.305 -5.241 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.984 11.717 -5.343 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.345 11.460 -3.974 1.00 0.00 C ATOM 0 HA PRO A 67 -7.500 10.415 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.782 10.835 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.083 12.175 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.476 11.144 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.898 12.769 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.412 10.903 -4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.112 12.391 -3.457 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.790 8.590 -5.610 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.673 7.220 -6.113 1.00 0.00 C ATOM 1103 C VAL A 68 -4.836 7.213 -7.400 1.00 0.00 C ATOM 1104 O VAL A 68 -4.592 8.258 -8.003 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.090 6.586 -6.321 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.489 6.470 -7.804 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.112 5.191 -5.688 1.00 0.00 C ATOM 0 H VAL A 68 -5.281 9.287 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.158 6.603 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.811 7.250 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.480 6.023 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.502 7.462 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.767 5.843 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.096 4.743 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.357 4.564 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.899 5.272 -4.622 1.00 0.00 H new ATOM 1117 N THR A 69 -4.405 6.024 -7.810 1.00 0.00 N ATOM 1118 CA THR A 69 -3.603 5.895 -9.024 1.00 0.00 C ATOM 1119 C THR A 69 -4.399 6.362 -10.240 1.00 0.00 C ATOM 1120 O THR A 69 -5.622 6.241 -10.284 1.00 0.00 O ATOM 1121 CB THR A 69 -3.178 4.439 -9.234 1.00 0.00 C ATOM 1122 OG1 THR A 69 -4.138 3.578 -8.639 1.00 0.00 O ATOM 1123 CG2 THR A 69 -1.811 4.208 -8.589 1.00 0.00 C ATOM 0 H THR A 69 -4.594 5.146 -7.327 1.00 0.00 H new ATOM 0 HA THR A 69 -2.716 6.518 -8.909 1.00 0.00 H new ATOM 0 HB THR A 69 -3.113 4.228 -10.301 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.406 2.891 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.509 3.172 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.076 4.870 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.872 4.418 -7.521 1.00 0.00 H new ATOM 1131 N ALA A 70 -3.686 6.898 -11.227 1.00 0.00 N ATOM 1132 CA ALA A 70 -4.333 7.382 -12.444 1.00 0.00 C ATOM 1133 C ALA A 70 -3.321 7.476 -13.583 1.00 0.00 C ATOM 1134 O ALA A 70 -2.120 7.301 -13.381 1.00 0.00 O ATOM 1135 CB ALA A 70 -4.949 8.762 -12.211 1.00 0.00 C ATOM 0 H ALA A 70 -2.672 7.008 -11.210 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.118 6.675 -12.711 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.427 9.107 -13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.692 8.699 -11.416 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.168 9.465 -11.922 1.00 0.00 H new ATOM 1141 N ARG A 71 -3.825 7.753 -14.782 1.00 0.00 N ATOM 1142 CA ARG A 71 -2.959 7.869 -15.952 1.00 0.00 C ATOM 1143 C ARG A 71 -2.847 9.326 -16.390 1.00 0.00 C ATOM 1144 O ARG A 71 -1.875 9.963 -16.017 1.00 0.00 O ATOM 1145 CB ARG A 71 -3.512 7.041 -17.113 1.00 0.00 C ATOM 1146 CG ARG A 71 -3.530 5.562 -16.723 1.00 0.00 C ATOM 1147 CD ARG A 71 -4.890 5.211 -16.114 1.00 0.00 C ATOM 1148 NE ARG A 71 -4.746 4.166 -15.097 1.00 0.00 N ATOM 1149 CZ ARG A 71 -5.792 3.455 -14.653 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -7.003 3.665 -15.114 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -5.604 2.537 -13.746 1.00 0.00 N ATOM 1152 OXT ARG A 71 -3.734 9.783 -17.091 1.00 0.00 O ATOM 0 H ARG A 71 -4.817 7.900 -14.969 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.973 7.495 -15.678 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.519 7.374 -17.364 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.898 7.186 -18.002 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.341 4.942 -17.599 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.735 5.354 -16.007 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.335 6.101 -15.668 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.569 4.873 -16.897 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.820 3.973 -14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.162 4.380 -15.824 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.785 3.113 -14.763 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.667 2.365 -13.381 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.394 1.991 -13.402 1.00 0.00 H new TER 1166 ARG A 71