USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 9 LYS NZ :NH3+ -156:sc= 0.994 (180deg=0.655) USER MOD Set 1.2: A 10 HIS : no HD1:sc= -1.35 K(o=-0.36,f=0.56) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.15 (180deg=-0.15) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.557 USER MOD Single : A 7 GLN : amide:sc= -4.82! C(o=-4.8!,f=-4.7!) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0569) USER MOD Single : A 12 THR OG1 : rot 110:sc= -2.27! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -0.265 (180deg=-1.48!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 156:sc= -3.71 (180deg=-4.83!) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.0645 (180deg=-0.523) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.98 K(o=-2,f=-11!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.118 (180deg=-0.657) USER MOD Single : A 50 ASN : amide:sc= -0.0854 K(o=-0.085,f=-0.89) USER MOD Single : A 54 ASN : amide:sc= -5.41! C(o=-5.4!,f=-2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 59 SER OG : rot -123:sc= -0.381 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.201) USER MOD Single : A 76 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.2) USER MOD Single : A 77 TYR OH : rot -87:sc= 0.00101! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= 0 USER MOD Single : A 82 SER OG : rot -30:sc= 0.392 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 84 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.086) USER MOD Single : A 85 THR OG1 : rot -69:sc= 1.05 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-1.6) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0355 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.122 10.166 1.487 1.00 1.00 N HETATM 2 CA PCA A 1 -6.825 11.430 1.262 1.00 1.00 C HETATM 3 CB PCA A 1 -5.988 12.477 1.910 1.00 1.00 C HETATM 4 CG PCA A 1 -4.805 11.788 2.178 1.00 1.00 C HETATM 5 CD PCA A 1 -4.917 10.357 2.160 1.00 1.00 C HETATM 6 OE PCA A 1 -4.166 9.421 2.612 1.00 1.00 O HETATM 7 C PCA A 1 -6.998 11.705 -0.223 1.00 1.00 C HETATM 8 O PCA A 1 -7.580 12.699 -0.607 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.018 10.004 2.509 1.00 1.00 H new HETATM 0 HA PCA A 1 -7.831 11.408 1.682 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.822 13.330 1.252 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.450 12.862 2.819 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.054 12.088 1.446 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.437 12.096 3.157 1.00 1.00 H new ATOM 15 N ASP A 2 -6.501 10.836 -1.059 1.00 1.00 N ATOM 16 CA ASP A 2 -6.635 11.043 -2.528 1.00 1.00 C ATOM 17 C ASP A 2 -6.169 9.774 -3.249 1.00 1.00 C ATOM 18 O ASP A 2 -5.096 9.265 -2.995 1.00 1.00 O ATOM 19 CB ASP A 2 -5.771 12.236 -2.961 1.00 1.00 C ATOM 20 CG ASP A 2 -6.589 13.527 -2.872 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.642 13.581 -3.485 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.148 14.438 -2.192 1.00 1.00 O ATOM 0 H ASP A 2 -6.005 9.987 -0.786 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.675 11.250 -2.782 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -4.889 12.309 -2.324 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.416 12.089 -3.981 1.00 1.00 H new ATOM 27 N TRP A 3 -6.972 9.254 -4.135 1.00 1.00 N ATOM 28 CA TRP A 3 -6.579 8.013 -4.858 1.00 1.00 C ATOM 29 C TRP A 3 -5.213 8.219 -5.518 1.00 1.00 C ATOM 30 O TRP A 3 -4.441 7.294 -5.668 1.00 1.00 O ATOM 31 CB TRP A 3 -7.649 7.685 -5.909 1.00 1.00 C ATOM 32 CG TRP A 3 -7.087 6.819 -6.997 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.263 7.046 -8.317 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.285 5.600 -6.895 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.619 6.057 -9.035 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.002 5.142 -8.206 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.776 4.853 -5.813 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.247 3.992 -8.435 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.016 3.695 -6.042 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.752 3.266 -7.350 1.00 1.00 C ATOM 0 H TRP A 3 -7.883 9.635 -4.390 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.503 7.178 -4.161 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.488 7.178 -5.433 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.037 8.609 -6.339 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.818 7.869 -8.743 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.602 6.009 -10.054 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.972 5.174 -4.801 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.047 3.665 -9.445 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.632 3.131 -5.205 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.166 2.375 -7.518 1.00 1.00 H new ATOM 51 N GLU A 4 -4.903 9.425 -5.904 1.00 1.00 N ATOM 52 CA GLU A 4 -3.581 9.683 -6.545 1.00 1.00 C ATOM 53 C GLU A 4 -2.463 9.351 -5.556 1.00 1.00 C ATOM 54 O GLU A 4 -1.847 8.310 -5.633 1.00 1.00 O ATOM 55 CB GLU A 4 -3.486 11.154 -6.953 1.00 1.00 C ATOM 56 CG GLU A 4 -4.347 11.397 -8.194 1.00 1.00 C ATOM 57 CD GLU A 4 -5.786 10.966 -7.910 1.00 1.00 C ATOM 58 OE1 GLU A 4 -6.499 11.730 -7.280 1.00 1.00 O ATOM 59 OE2 GLU A 4 -6.152 9.879 -8.327 1.00 1.00 O ATOM 0 H GLU A 4 -5.505 10.242 -5.804 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.479 9.057 -7.432 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.821 11.792 -6.135 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.449 11.419 -7.159 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.320 12.452 -8.468 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -3.949 10.838 -9.041 1.00 1.00 H new ATOM 66 N THR A 5 -2.193 10.221 -4.626 1.00 1.00 N ATOM 67 CA THR A 5 -1.112 9.931 -3.642 1.00 1.00 C ATOM 68 C THR A 5 -1.328 8.536 -3.063 1.00 1.00 C ATOM 69 O THR A 5 -0.424 7.725 -3.018 1.00 1.00 O ATOM 70 CB THR A 5 -1.148 10.965 -2.518 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.080 10.719 -1.615 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.483 10.874 -1.773 1.00 1.00 C ATOM 0 H THR A 5 -2.669 11.115 -4.503 1.00 1.00 H new ATOM 0 HA THR A 5 -0.142 9.978 -4.137 1.00 1.00 H new ATOM 0 HB THR A 5 -1.043 11.963 -2.942 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.002 11.468 -0.988 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.504 11.613 -0.972 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.301 11.067 -2.467 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.596 9.876 -1.349 1.00 1.00 H new ATOM 80 N PHE A 6 -2.524 8.242 -2.630 1.00 1.00 N ATOM 81 CA PHE A 6 -2.793 6.891 -2.070 1.00 1.00 C ATOM 82 C PHE A 6 -2.278 5.846 -3.058 1.00 1.00 C ATOM 83 O PHE A 6 -1.977 4.728 -2.699 1.00 1.00 O ATOM 84 CB PHE A 6 -4.298 6.713 -1.865 1.00 1.00 C ATOM 85 CG PHE A 6 -4.555 5.497 -1.005 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.250 5.528 0.361 1.00 1.00 C ATOM 87 CD2 PHE A 6 -5.102 4.341 -1.575 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.492 4.401 1.156 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.343 3.215 -0.780 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.039 3.245 0.586 1.00 1.00 C ATOM 0 H PHE A 6 -3.322 8.877 -2.640 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.290 6.774 -1.110 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.718 7.601 -1.391 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.795 6.601 -2.828 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.829 6.420 0.801 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.338 4.318 -2.629 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.257 4.423 2.210 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.763 2.323 -1.220 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.226 2.377 1.200 1.00 1.00 H new ATOM 100 N GLN A 7 -2.162 6.212 -4.306 1.00 1.00 N ATOM 101 CA GLN A 7 -1.650 5.249 -5.317 1.00 1.00 C ATOM 102 C GLN A 7 -0.130 5.384 -5.394 1.00 1.00 C ATOM 103 O GLN A 7 0.561 4.509 -5.876 1.00 1.00 O ATOM 104 CB GLN A 7 -2.260 5.565 -6.689 1.00 1.00 C ATOM 105 CG GLN A 7 -1.782 4.539 -7.721 1.00 1.00 C ATOM 106 CD GLN A 7 -0.400 4.939 -8.246 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.476 4.107 -8.378 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.166 6.187 -8.550 1.00 1.00 N ATOM 0 H GLN A 7 -2.400 7.136 -4.667 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.923 4.233 -5.031 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.348 5.550 -6.625 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.973 6.569 -7.002 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.737 3.548 -7.269 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.492 4.481 -8.546 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.901 6.885 -8.439 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.752 6.464 -8.898 1.00 1.00 H new ATOM 117 N LYS A 8 0.394 6.490 -4.938 1.00 1.00 N ATOM 118 CA LYS A 8 1.868 6.704 -5.003 1.00 1.00 C ATOM 119 C LYS A 8 2.560 6.187 -3.733 1.00 1.00 C ATOM 120 O LYS A 8 3.543 5.477 -3.804 1.00 1.00 O ATOM 121 CB LYS A 8 2.147 8.202 -5.157 1.00 1.00 C ATOM 122 CG LYS A 8 1.308 8.772 -6.312 1.00 1.00 C ATOM 123 CD LYS A 8 2.053 8.586 -7.642 1.00 1.00 C ATOM 124 CE LYS A 8 2.990 9.772 -7.883 1.00 1.00 C ATOM 125 NZ LYS A 8 2.199 10.933 -8.382 1.00 1.00 N ATOM 0 H LYS A 8 -0.137 7.256 -4.523 1.00 1.00 H new ATOM 0 HA LYS A 8 2.262 6.152 -5.856 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.908 8.723 -4.230 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.207 8.366 -5.350 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.342 8.269 -6.353 1.00 1.00 H new ATOM 0 HG3 LYS A 8 1.110 9.830 -6.141 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.624 7.658 -7.622 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.338 8.503 -8.461 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.504 10.038 -6.959 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.758 9.502 -8.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 2.844 11.652 -8.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.548 10.615 -9.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.653 11.344 -7.598 1.00 1.00 H new ATOM 139 N LYS A 9 2.085 6.562 -2.574 1.00 1.00 N ATOM 140 CA LYS A 9 2.757 6.116 -1.315 1.00 1.00 C ATOM 141 C LYS A 9 2.268 4.730 -0.866 1.00 1.00 C ATOM 142 O LYS A 9 3.056 3.894 -0.474 1.00 1.00 O ATOM 143 CB LYS A 9 2.480 7.136 -0.204 1.00 1.00 C ATOM 144 CG LYS A 9 1.024 7.610 -0.280 1.00 1.00 C ATOM 145 CD LYS A 9 0.602 8.179 1.078 1.00 1.00 C ATOM 146 CE LYS A 9 -0.709 8.955 0.928 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.380 9.057 2.255 1.00 1.00 N ATOM 0 H LYS A 9 1.265 7.155 -2.444 1.00 1.00 H new ATOM 0 HA LYS A 9 3.827 6.047 -1.512 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.675 6.687 0.770 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.154 7.987 -0.304 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.917 8.370 -1.054 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.374 6.780 -0.557 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.477 7.371 1.799 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.381 8.835 1.466 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.511 9.951 0.531 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.363 8.452 0.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.401 9.199 2.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.222 8.181 2.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.986 9.862 2.782 1.00 1.00 H new ATOM 161 N HIS A 10 0.987 4.479 -0.880 1.00 1.00 N ATOM 162 CA HIS A 10 0.495 3.147 -0.410 1.00 1.00 C ATOM 163 C HIS A 10 0.622 2.091 -1.509 1.00 1.00 C ATOM 164 O HIS A 10 0.446 0.924 -1.252 1.00 1.00 O ATOM 165 CB HIS A 10 -0.971 3.257 0.019 1.00 1.00 C ATOM 166 CG HIS A 10 -1.056 3.986 1.334 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.937 3.330 2.551 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.248 5.311 1.639 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.056 4.254 3.523 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.247 5.474 3.019 1.00 1.00 N ATOM 0 H HIS A 10 0.265 5.128 -1.192 1.00 1.00 H new ATOM 0 HA HIS A 10 1.109 2.841 0.437 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.545 3.788 -0.741 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.409 2.263 0.113 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.379 6.104 0.918 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.003 4.035 4.579 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.367 6.344 3.538 1.00 1.00 H new ATOM 179 N LEU A 11 0.920 2.474 -2.724 1.00 1.00 N ATOM 180 CA LEU A 11 1.046 1.455 -3.818 1.00 1.00 C ATOM 181 C LEU A 11 2.389 1.615 -4.531 1.00 1.00 C ATOM 182 O LEU A 11 2.967 2.684 -4.558 1.00 1.00 O ATOM 183 CB LEU A 11 -0.081 1.663 -4.839 1.00 1.00 C ATOM 184 CG LEU A 11 -1.258 0.731 -4.533 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.912 1.132 -3.206 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.286 0.837 -5.660 1.00 1.00 C ATOM 0 H LEU A 11 1.081 3.440 -3.008 1.00 1.00 H new ATOM 0 HA LEU A 11 0.981 0.458 -3.382 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.415 2.700 -4.815 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.291 1.471 -5.845 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.897 -0.294 -4.455 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.748 0.465 -2.996 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.179 1.060 -2.403 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.275 2.157 -3.275 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.127 0.176 -5.449 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.642 1.865 -5.733 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.823 0.546 -6.603 1.00 1.00 H new ATOM 198 N THR A 12 2.877 0.558 -5.128 1.00 1.00 N ATOM 199 CA THR A 12 4.172 0.646 -5.867 1.00 1.00 C ATOM 200 C THR A 12 4.048 -0.114 -7.190 1.00 1.00 C ATOM 201 O THR A 12 2.965 -0.489 -7.594 1.00 1.00 O ATOM 202 CB THR A 12 5.306 0.047 -5.029 1.00 1.00 C ATOM 203 OG1 THR A 12 6.467 -0.063 -5.838 1.00 1.00 O ATOM 204 CG2 THR A 12 4.912 -1.341 -4.508 1.00 1.00 C ATOM 0 H THR A 12 2.435 -0.361 -5.136 1.00 1.00 H new ATOM 0 HA THR A 12 4.402 1.693 -6.063 1.00 1.00 H new ATOM 0 HB THR A 12 5.503 0.696 -4.176 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.136 0.588 -5.540 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.729 -1.752 -3.915 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.020 -1.257 -3.888 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.707 -2.001 -5.351 1.00 1.00 H new ATOM 212 N ASP A 13 5.141 -0.330 -7.878 1.00 1.00 N ATOM 213 CA ASP A 13 5.073 -1.048 -9.187 1.00 1.00 C ATOM 214 C ASP A 13 5.916 -2.328 -9.152 1.00 1.00 C ATOM 215 O ASP A 13 6.242 -2.883 -10.182 1.00 1.00 O ATOM 216 CB ASP A 13 5.604 -0.130 -10.289 1.00 1.00 C ATOM 217 CG ASP A 13 4.638 1.039 -10.490 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.609 0.831 -11.113 1.00 1.00 O ATOM 219 OD2 ASP A 13 4.942 2.121 -10.017 1.00 1.00 O ATOM 0 H ASP A 13 6.076 -0.041 -7.590 1.00 1.00 H new ATOM 0 HA ASP A 13 4.035 -1.318 -9.383 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.592 0.243 -10.021 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.715 -0.688 -11.219 1.00 1.00 H new ATOM 224 N THR A 14 6.276 -2.812 -7.993 1.00 1.00 N ATOM 225 CA THR A 14 7.094 -4.059 -7.948 1.00 1.00 C ATOM 226 C THR A 14 6.938 -4.742 -6.589 1.00 1.00 C ATOM 227 O THR A 14 6.693 -4.105 -5.584 1.00 1.00 O ATOM 228 CB THR A 14 8.566 -3.710 -8.177 1.00 1.00 C ATOM 229 OG1 THR A 14 9.332 -4.906 -8.225 1.00 1.00 O ATOM 230 CG2 THR A 14 9.067 -2.826 -7.037 1.00 1.00 C ATOM 0 H THR A 14 6.043 -2.405 -7.087 1.00 1.00 H new ATOM 0 HA THR A 14 6.751 -4.738 -8.728 1.00 1.00 H new ATOM 0 HB THR A 14 8.670 -3.173 -9.120 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.275 -4.685 -8.373 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.116 -2.579 -7.202 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.479 -1.909 -7.002 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.964 -3.359 -6.092 1.00 1.00 H new ATOM 238 N LYS A 15 7.085 -6.040 -6.553 1.00 1.00 N ATOM 239 CA LYS A 15 6.953 -6.772 -5.262 1.00 1.00 C ATOM 240 C LYS A 15 8.173 -6.473 -4.389 1.00 1.00 C ATOM 241 O LYS A 15 8.127 -6.594 -3.181 1.00 1.00 O ATOM 242 CB LYS A 15 6.880 -8.276 -5.535 1.00 1.00 C ATOM 243 CG LYS A 15 5.679 -8.578 -6.433 1.00 1.00 C ATOM 244 CD LYS A 15 5.782 -10.013 -6.955 1.00 1.00 C ATOM 245 CE LYS A 15 4.575 -10.321 -7.843 1.00 1.00 C ATOM 246 NZ LYS A 15 4.478 -11.794 -8.054 1.00 1.00 N ATOM 0 H LYS A 15 7.291 -6.624 -7.363 1.00 1.00 H new ATOM 0 HA LYS A 15 6.046 -6.452 -4.749 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.799 -8.614 -6.014 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.791 -8.822 -4.596 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.752 -8.448 -5.875 1.00 1.00 H new ATOM 0 HG3 LYS A 15 5.650 -7.877 -7.267 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.705 -10.140 -7.521 1.00 1.00 H new ATOM 0 HD3 LYS A 15 5.821 -10.713 -6.120 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.663 -9.948 -7.377 1.00 1.00 H new ATOM 0 HE3 LYS A 15 4.675 -9.811 -8.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.658 -12.005 -8.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.345 -12.136 -8.516 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.364 -12.269 -7.136 1.00 1.00 H new ATOM 260 N LYS A 16 9.262 -6.083 -4.997 1.00 1.00 N ATOM 261 CA LYS A 16 10.495 -5.770 -4.217 1.00 1.00 C ATOM 262 C LYS A 16 10.832 -4.287 -4.384 1.00 1.00 C ATOM 263 O LYS A 16 11.838 -3.929 -4.964 1.00 1.00 O ATOM 264 CB LYS A 16 11.659 -6.618 -4.737 1.00 1.00 C ATOM 265 CG LYS A 16 11.662 -6.605 -6.269 1.00 1.00 C ATOM 266 CD LYS A 16 12.802 -7.485 -6.795 1.00 1.00 C ATOM 267 CE LYS A 16 14.104 -6.681 -6.838 1.00 1.00 C ATOM 268 NZ LYS A 16 13.928 -5.494 -7.722 1.00 1.00 N ATOM 0 H LYS A 16 9.351 -5.967 -6.007 1.00 1.00 H new ATOM 0 HA LYS A 16 10.328 -5.993 -3.163 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.604 -6.228 -4.358 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.568 -7.641 -4.372 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.706 -6.968 -6.646 1.00 1.00 H new ATOM 0 HG3 LYS A 16 11.781 -5.584 -6.633 1.00 1.00 H new ATOM 0 HD2 LYS A 16 12.925 -8.358 -6.154 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.559 -7.853 -7.792 1.00 1.00 H new ATOM 0 HE2 LYS A 16 14.379 -6.361 -5.833 1.00 1.00 H new ATOM 0 HE3 LYS A 16 14.917 -7.306 -7.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 14.762 -5.391 -8.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.080 -5.622 -8.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.819 -4.640 -7.139 1.00 1.00 H new ATOM 282 N VAL A 17 9.994 -3.420 -3.886 1.00 1.00 N ATOM 283 CA VAL A 17 10.262 -1.960 -4.023 1.00 1.00 C ATOM 284 C VAL A 17 11.662 -1.641 -3.533 1.00 1.00 C ATOM 285 O VAL A 17 12.332 -2.461 -2.936 1.00 1.00 O ATOM 286 CB VAL A 17 9.267 -1.164 -3.183 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.854 -1.456 -3.663 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.402 -1.567 -1.712 1.00 1.00 C ATOM 0 H VAL A 17 9.135 -3.659 -3.390 1.00 1.00 H new ATOM 0 HA VAL A 17 10.163 -1.690 -5.074 1.00 1.00 H new ATOM 0 HB VAL A 17 9.473 -0.099 -3.286 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.142 -0.888 -3.064 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.759 -1.168 -4.710 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.647 -2.521 -3.559 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.691 -0.998 -1.112 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.196 -2.632 -1.606 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.415 -1.358 -1.369 1.00 1.00 H new ATOM 298 N LYS A 18 12.095 -0.438 -3.763 1.00 1.00 N ATOM 299 CA LYS A 18 13.440 -0.029 -3.294 1.00 1.00 C ATOM 300 C LYS A 18 13.267 0.733 -1.985 1.00 1.00 C ATOM 301 O LYS A 18 13.498 1.920 -1.908 1.00 1.00 O ATOM 302 CB LYS A 18 14.108 0.868 -4.339 1.00 1.00 C ATOM 303 CG LYS A 18 13.080 1.859 -4.894 1.00 1.00 C ATOM 304 CD LYS A 18 13.763 2.824 -5.870 1.00 1.00 C ATOM 305 CE LYS A 18 13.902 2.165 -7.245 1.00 1.00 C ATOM 306 NZ LYS A 18 14.417 3.163 -8.225 1.00 1.00 N ATOM 0 H LYS A 18 11.571 0.283 -4.259 1.00 1.00 H new ATOM 0 HA LYS A 18 14.072 -0.904 -3.142 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.943 1.407 -3.891 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.517 0.261 -5.147 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.279 1.321 -5.401 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.622 2.417 -4.078 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.181 3.742 -5.954 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.746 3.104 -5.490 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.581 1.314 -7.185 1.00 1.00 H new ATOM 0 HE3 LYS A 18 12.937 1.780 -7.575 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.511 2.716 -9.159 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.753 3.961 -8.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.346 3.510 -7.912 1.00 1.00 H new ATOM 320 N CYS A 19 12.832 0.048 -0.964 1.00 1.00 N ATOM 321 CA CYS A 19 12.598 0.696 0.359 1.00 1.00 C ATOM 322 C CYS A 19 13.602 1.831 0.608 1.00 1.00 C ATOM 323 O CYS A 19 13.254 2.874 1.130 1.00 1.00 O ATOM 324 CB CYS A 19 12.751 -0.354 1.457 1.00 1.00 C ATOM 325 SG CYS A 19 11.285 -1.413 1.485 1.00 1.00 S ATOM 0 H CYS A 19 12.625 -0.950 -0.990 1.00 1.00 H new ATOM 0 HA CYS A 19 11.593 1.118 0.365 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.643 -0.954 1.279 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.881 0.132 2.424 1.00 1.00 H new ATOM 330 N ASP A 20 14.843 1.635 0.250 1.00 1.00 N ATOM 331 CA ASP A 20 15.865 2.697 0.484 1.00 1.00 C ATOM 332 C ASP A 20 15.328 4.038 -0.012 1.00 1.00 C ATOM 333 O ASP A 20 15.520 5.066 0.608 1.00 1.00 O ATOM 334 CB ASP A 20 17.149 2.343 -0.269 1.00 1.00 C ATOM 335 CG ASP A 20 18.121 3.523 -0.211 1.00 1.00 C ATOM 336 OD1 ASP A 20 17.910 4.399 0.610 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.062 3.529 -0.988 1.00 1.00 O ATOM 0 H ASP A 20 15.193 0.786 -0.194 1.00 1.00 H new ATOM 0 HA ASP A 20 16.081 2.768 1.550 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.609 1.458 0.172 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.919 2.099 -1.306 1.00 1.00 H new ATOM 342 N VAL A 21 14.642 4.031 -1.119 1.00 1.00 N ATOM 343 CA VAL A 21 14.072 5.293 -1.661 1.00 1.00 C ATOM 344 C VAL A 21 12.567 5.311 -1.379 1.00 1.00 C ATOM 345 O VAL A 21 11.989 6.344 -1.112 1.00 1.00 O ATOM 346 CB VAL A 21 14.315 5.353 -3.171 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.371 6.811 -3.632 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.644 4.666 -3.498 1.00 1.00 C ATOM 0 H VAL A 21 14.450 3.198 -1.676 1.00 1.00 H new ATOM 0 HA VAL A 21 14.547 6.153 -1.189 1.00 1.00 H new ATOM 0 HB VAL A 21 13.500 4.845 -3.687 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.544 6.846 -4.708 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.426 7.302 -3.400 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.183 7.325 -3.117 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.820 4.707 -4.573 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.455 5.176 -2.978 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.604 3.625 -3.176 1.00 1.00 H new ATOM 358 N GLU A 22 11.934 4.168 -1.410 1.00 1.00 N ATOM 359 CA GLU A 22 10.473 4.121 -1.121 1.00 1.00 C ATOM 360 C GLU A 22 10.242 4.737 0.261 1.00 1.00 C ATOM 361 O GLU A 22 9.123 4.920 0.698 1.00 1.00 O ATOM 362 CB GLU A 22 9.988 2.662 -1.137 1.00 1.00 C ATOM 363 CG GLU A 22 8.732 2.541 -2.006 1.00 1.00 C ATOM 364 CD GLU A 22 9.114 2.689 -3.480 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.098 2.089 -3.880 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.417 3.403 -4.183 1.00 1.00 O ATOM 0 H GLU A 22 12.365 3.268 -1.622 1.00 1.00 H new ATOM 0 HA GLU A 22 9.917 4.677 -1.876 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.773 2.013 -1.524 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.772 2.330 -0.122 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.253 1.576 -1.839 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.009 3.308 -1.728 1.00 1.00 H new ATOM 373 N MET A 23 11.309 5.056 0.943 1.00 1.00 N ATOM 374 CA MET A 23 11.201 5.664 2.301 1.00 1.00 C ATOM 375 C MET A 23 12.048 6.935 2.353 1.00 1.00 C ATOM 376 O MET A 23 11.610 7.967 2.820 1.00 1.00 O ATOM 377 CB MET A 23 11.728 4.678 3.344 1.00 1.00 C ATOM 378 CG MET A 23 10.773 3.489 3.470 1.00 1.00 C ATOM 379 SD MET A 23 11.042 2.674 5.065 1.00 1.00 S ATOM 380 CE MET A 23 10.404 3.998 6.122 1.00 1.00 C ATOM 0 H MET A 23 12.264 4.919 0.612 1.00 1.00 H new ATOM 0 HA MET A 23 10.158 5.901 2.510 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.720 4.329 3.058 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.831 5.176 4.308 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.740 3.827 3.391 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.941 2.785 2.655 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.078 3.579 7.074 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.189 4.733 6.299 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.559 4.481 5.630 1.00 1.00 H new ATOM 390 N ALA A 24 13.263 6.869 1.884 1.00 1.00 N ATOM 391 CA ALA A 24 14.136 8.073 1.912 1.00 1.00 C ATOM 392 C ALA A 24 13.602 9.109 0.924 1.00 1.00 C ATOM 393 O ALA A 24 14.201 10.144 0.710 1.00 1.00 O ATOM 394 CB ALA A 24 15.562 7.678 1.529 1.00 1.00 C ATOM 0 H ALA A 24 13.688 6.033 1.483 1.00 1.00 H new ATOM 0 HA ALA A 24 14.140 8.500 2.915 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.202 8.560 1.549 1.00 1.00 H new ATOM 0 HB2 ALA A 24 15.938 6.940 2.238 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.564 7.251 0.526 1.00 1.00 H new ATOM 400 N LYS A 25 12.476 8.836 0.321 1.00 1.00 N ATOM 401 CA LYS A 25 11.894 9.804 -0.652 1.00 1.00 C ATOM 402 C LYS A 25 11.804 11.185 0.003 1.00 1.00 C ATOM 403 O LYS A 25 12.315 11.409 1.083 1.00 1.00 O ATOM 404 CB LYS A 25 10.479 9.347 -1.040 1.00 1.00 C ATOM 405 CG LYS A 25 10.525 8.479 -2.309 1.00 1.00 C ATOM 406 CD LYS A 25 9.549 7.310 -2.168 1.00 1.00 C ATOM 407 CE LYS A 25 8.113 7.829 -2.258 1.00 1.00 C ATOM 408 NZ LYS A 25 7.838 8.291 -3.648 1.00 1.00 N ATOM 0 H LYS A 25 11.934 7.983 0.461 1.00 1.00 H new ATOM 0 HA LYS A 25 12.525 9.852 -1.539 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.035 8.781 -0.221 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.843 10.216 -1.209 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.266 9.079 -3.181 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.536 8.104 -2.469 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.731 6.574 -2.952 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.705 6.805 -1.215 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.412 7.042 -1.980 1.00 1.00 H new ATOM 0 HE3 LYS A 25 7.967 8.649 -1.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.814 8.257 -3.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.178 9.267 -3.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.330 7.672 -4.323 1.00 1.00 H new ATOM 422 N ALA A 26 11.142 12.108 -0.639 1.00 1.00 N ATOM 423 CA ALA A 26 10.998 13.472 -0.057 1.00 1.00 C ATOM 424 C ALA A 26 9.626 13.590 0.611 1.00 1.00 C ATOM 425 O ALA A 26 9.354 14.531 1.328 1.00 1.00 O ATOM 426 CB ALA A 26 11.111 14.514 -1.170 1.00 1.00 C ATOM 0 H ALA A 26 10.693 11.975 -1.545 1.00 1.00 H new ATOM 0 HA ALA A 26 11.783 13.641 0.680 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.006 15.512 -0.746 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.084 14.426 -1.654 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.324 14.348 -1.905 1.00 1.00 H new ATOM 432 N LEU A 27 8.758 12.638 0.380 1.00 1.00 N ATOM 433 CA LEU A 27 7.402 12.694 1.001 1.00 1.00 C ATOM 434 C LEU A 27 7.387 11.831 2.265 1.00 1.00 C ATOM 435 O LEU A 27 6.395 11.753 2.964 1.00 1.00 O ATOM 436 CB LEU A 27 6.358 12.184 -0.006 1.00 1.00 C ATOM 437 CG LEU A 27 6.305 10.643 0.003 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.358 10.138 1.109 1.00 1.00 C ATOM 439 CD2 LEU A 27 5.807 10.147 -1.361 1.00 1.00 C ATOM 0 H LEU A 27 8.930 11.825 -0.212 1.00 1.00 H new ATOM 0 HA LEU A 27 7.160 13.722 1.271 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.377 12.589 0.242 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.605 12.539 -1.006 1.00 1.00 H new ATOM 0 HG LEU A 27 7.306 10.258 0.199 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.335 9.048 1.098 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.714 10.484 2.079 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.354 10.524 0.933 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.768 9.058 -1.360 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.811 10.546 -1.552 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.488 10.485 -2.142 1.00 1.00 H new ATOM 451 N PHE A 28 8.486 11.187 2.565 1.00 1.00 N ATOM 452 CA PHE A 28 8.552 10.326 3.787 1.00 1.00 C ATOM 453 C PHE A 28 9.636 10.862 4.728 1.00 1.00 C ATOM 454 O PHE A 28 9.474 10.870 5.929 1.00 1.00 O ATOM 455 CB PHE A 28 8.902 8.889 3.379 1.00 1.00 C ATOM 456 CG PHE A 28 7.640 8.121 3.055 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.680 7.899 4.050 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.433 7.626 1.760 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.512 7.186 3.750 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.266 6.913 1.462 1.00 1.00 C ATOM 461 CZ PHE A 28 5.306 6.693 2.457 1.00 1.00 C ATOM 0 H PHE A 28 9.344 11.220 2.015 1.00 1.00 H new ATOM 0 HA PHE A 28 7.587 10.338 4.294 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.564 8.899 2.513 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.441 8.394 4.187 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.840 8.277 5.049 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.174 7.795 0.992 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.771 7.017 4.517 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.106 6.532 0.464 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.406 6.142 2.226 1.00 1.00 H new ATOM 471 N ASP A 29 10.739 11.307 4.191 1.00 1.00 N ATOM 472 CA ASP A 29 11.837 11.841 5.051 1.00 1.00 C ATOM 473 C ASP A 29 12.572 10.680 5.730 1.00 1.00 C ATOM 474 O ASP A 29 13.009 10.784 6.859 1.00 1.00 O ATOM 475 CB ASP A 29 11.262 12.783 6.117 1.00 1.00 C ATOM 476 CG ASP A 29 10.068 13.546 5.539 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.268 14.293 4.595 1.00 1.00 O ATOM 478 OD2 ASP A 29 8.974 13.369 6.048 1.00 1.00 O ATOM 0 H ASP A 29 10.929 11.324 3.189 1.00 1.00 H new ATOM 0 HA ASP A 29 12.537 12.397 4.427 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.952 12.212 6.992 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.028 13.484 6.449 1.00 1.00 H new ATOM 483 N CYS A 30 12.723 9.579 5.043 1.00 1.00 N ATOM 484 CA CYS A 30 13.442 8.413 5.636 1.00 1.00 C ATOM 485 C CYS A 30 12.846 8.048 7.001 1.00 1.00 C ATOM 486 O CYS A 30 13.478 8.213 8.025 1.00 1.00 O ATOM 487 CB CYS A 30 14.923 8.769 5.807 1.00 1.00 C ATOM 488 SG CYS A 30 15.777 7.428 6.673 1.00 1.00 S ATOM 0 H CYS A 30 12.378 9.436 4.094 1.00 1.00 H new ATOM 0 HA CYS A 30 13.336 7.557 4.969 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.382 8.936 4.832 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.021 9.698 6.369 1.00 1.00 H new ATOM 493 N LYS A 31 11.640 7.543 7.028 1.00 1.00 N ATOM 494 CA LYS A 31 11.027 7.158 8.335 1.00 1.00 C ATOM 495 C LYS A 31 11.754 5.928 8.885 1.00 1.00 C ATOM 496 O LYS A 31 12.962 5.822 8.801 1.00 1.00 O ATOM 497 CB LYS A 31 9.546 6.815 8.138 1.00 1.00 C ATOM 498 CG LYS A 31 8.838 7.920 7.345 1.00 1.00 C ATOM 499 CD LYS A 31 8.903 9.259 8.092 1.00 1.00 C ATOM 500 CE LYS A 31 8.423 9.091 9.538 1.00 1.00 C ATOM 501 NZ LYS A 31 7.970 10.409 10.065 1.00 1.00 N ATOM 0 H LYS A 31 11.056 7.381 6.208 1.00 1.00 H new ATOM 0 HA LYS A 31 11.115 7.991 9.032 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.454 5.865 7.611 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.064 6.690 9.108 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.302 8.023 6.364 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.797 7.643 7.177 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.925 9.638 8.084 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.285 9.998 7.581 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.607 8.370 9.580 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.229 8.697 10.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.644 10.297 11.046 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.761 11.084 10.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.189 10.767 9.479 1.00 1.00 H new ATOM 515 N LYS A 32 11.025 4.994 9.442 1.00 1.00 N ATOM 516 CA LYS A 32 11.668 3.762 9.994 1.00 1.00 C ATOM 517 C LYS A 32 10.901 2.522 9.515 1.00 1.00 C ATOM 518 O LYS A 32 11.443 1.438 9.435 1.00 1.00 O ATOM 519 CB LYS A 32 11.662 3.822 11.528 1.00 1.00 C ATOM 520 CG LYS A 32 10.237 3.607 12.066 1.00 1.00 C ATOM 521 CD LYS A 32 10.064 2.157 12.543 1.00 1.00 C ATOM 522 CE LYS A 32 10.632 2.006 13.957 1.00 1.00 C ATOM 523 NZ LYS A 32 10.413 0.611 14.433 1.00 1.00 N ATOM 0 H LYS A 32 10.010 5.031 9.539 1.00 1.00 H new ATOM 0 HA LYS A 32 12.698 3.701 9.643 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.329 3.060 11.931 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.042 4.787 11.862 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.044 4.294 12.890 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.508 3.831 11.287 1.00 1.00 H new ATOM 0 HD2 LYS A 32 9.009 1.885 12.534 1.00 1.00 H new ATOM 0 HD3 LYS A 32 10.574 1.477 11.861 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.697 2.240 13.960 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.149 2.712 14.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.798 0.507 15.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.394 0.404 14.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 10.894 -0.054 13.793 1.00 1.00 H new ATOM 537 N THR A 33 9.645 2.677 9.185 1.00 1.00 N ATOM 538 CA THR A 33 8.842 1.515 8.698 1.00 1.00 C ATOM 539 C THR A 33 7.941 1.987 7.556 1.00 1.00 C ATOM 540 O THR A 33 7.578 3.144 7.482 1.00 1.00 O ATOM 541 CB THR A 33 7.979 0.968 9.837 1.00 1.00 C ATOM 542 OG1 THR A 33 7.235 -0.149 9.370 1.00 1.00 O ATOM 543 CG2 THR A 33 7.017 2.055 10.324 1.00 1.00 C ATOM 0 H THR A 33 9.139 3.561 9.232 1.00 1.00 H new ATOM 0 HA THR A 33 9.508 0.726 8.348 1.00 1.00 H new ATOM 0 HB THR A 33 8.621 0.660 10.662 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.683 -0.502 10.099 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.404 1.662 11.135 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.588 2.912 10.683 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.373 2.367 9.501 1.00 1.00 H new ATOM 551 N ASN A 34 7.585 1.112 6.655 1.00 1.00 N ATOM 552 CA ASN A 34 6.719 1.540 5.520 1.00 1.00 C ATOM 553 C ASN A 34 6.008 0.331 4.912 1.00 1.00 C ATOM 554 O ASN A 34 6.496 -0.781 4.958 1.00 1.00 O ATOM 555 CB ASN A 34 7.590 2.200 4.451 1.00 1.00 C ATOM 556 CG ASN A 34 6.726 3.103 3.567 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.650 2.721 3.155 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.156 4.296 3.257 1.00 1.00 N ATOM 0 H ASN A 34 7.853 0.128 6.655 1.00 1.00 H new ATOM 0 HA ASN A 34 5.972 2.244 5.886 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.380 2.784 4.922 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.077 1.437 3.843 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.588 4.906 2.669 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.060 4.618 3.603 1.00 1.00 H new ATOM 565 N THR A 35 4.856 0.548 4.337 1.00 1.00 N ATOM 566 CA THR A 35 4.101 -0.574 3.712 1.00 1.00 C ATOM 567 C THR A 35 3.474 -0.092 2.402 1.00 1.00 C ATOM 568 O THR A 35 3.167 1.072 2.242 1.00 1.00 O ATOM 569 CB THR A 35 2.998 -1.039 4.665 1.00 1.00 C ATOM 570 OG1 THR A 35 3.583 -1.511 5.870 1.00 1.00 O ATOM 571 CG2 THR A 35 2.196 -2.165 4.009 1.00 1.00 C ATOM 0 H THR A 35 4.404 1.460 4.273 1.00 1.00 H new ATOM 0 HA THR A 35 4.778 -1.404 3.510 1.00 1.00 H new ATOM 0 HB THR A 35 2.333 -0.204 4.887 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.877 -1.808 6.482 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.410 -2.496 4.688 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.747 -1.801 3.085 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.859 -3.001 3.786 1.00 1.00 H new ATOM 579 N PHE A 36 3.266 -0.982 1.472 1.00 1.00 N ATOM 580 CA PHE A 36 2.637 -0.577 0.177 1.00 1.00 C ATOM 581 C PHE A 36 1.872 -1.776 -0.379 1.00 1.00 C ATOM 582 O PHE A 36 1.895 -2.841 0.196 1.00 1.00 O ATOM 583 CB PHE A 36 3.702 -0.140 -0.846 1.00 1.00 C ATOM 584 CG PHE A 36 4.951 0.350 -0.153 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.732 -0.537 0.592 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.340 1.691 -0.275 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.898 -0.088 1.217 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.510 2.139 0.348 1.00 1.00 C ATOM 589 CZ PHE A 36 7.289 1.250 1.094 1.00 1.00 C ATOM 0 H PHE A 36 3.503 -1.971 1.549 1.00 1.00 H new ATOM 0 HA PHE A 36 1.970 0.266 0.354 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.949 -0.977 -1.499 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.300 0.650 -1.480 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.434 -1.571 0.685 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.737 2.378 -0.850 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.498 -0.774 1.796 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.811 3.172 0.252 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.192 1.595 1.575 1.00 1.00 H new ATOM 599 N ILE A 37 1.189 -1.613 -1.485 1.00 1.00 N ATOM 600 CA ILE A 37 0.417 -2.749 -2.063 1.00 1.00 C ATOM 601 C ILE A 37 0.863 -2.991 -3.505 1.00 1.00 C ATOM 602 O ILE A 37 0.980 -2.068 -4.297 1.00 1.00 O ATOM 603 CB ILE A 37 -1.078 -2.410 -2.029 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.493 -2.038 -0.591 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.886 -3.623 -2.498 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.682 -1.067 -0.611 1.00 1.00 C ATOM 0 H ILE A 37 1.135 -0.741 -2.011 1.00 1.00 H new ATOM 0 HA ILE A 37 0.598 -3.652 -1.480 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.273 -1.565 -2.690 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.760 -2.939 -0.038 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.652 -1.582 -0.069 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.949 -3.383 -2.474 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.595 -3.882 -3.516 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.690 -4.468 -1.838 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.963 -0.814 0.411 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.401 -0.159 -1.145 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.527 -1.537 -1.114 1.00 1.00 H new ATOM 618 N TYR A 38 1.120 -4.228 -3.854 1.00 1.00 N ATOM 619 CA TYR A 38 1.557 -4.531 -5.249 1.00 1.00 C ATOM 620 C TYR A 38 0.334 -4.913 -6.087 1.00 1.00 C ATOM 621 O TYR A 38 -0.128 -6.035 -6.050 1.00 1.00 O ATOM 622 CB TYR A 38 2.548 -5.697 -5.243 1.00 1.00 C ATOM 623 CG TYR A 38 2.952 -6.017 -6.664 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.637 -5.065 -7.427 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.635 -7.264 -7.220 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.006 -5.359 -8.746 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.006 -7.557 -8.538 1.00 1.00 C ATOM 628 CZ TYR A 38 3.691 -6.604 -9.300 1.00 1.00 C ATOM 629 OH TYR A 38 4.054 -6.893 -10.600 1.00 1.00 O ATOM 0 H TYR A 38 1.046 -5.036 -3.236 1.00 1.00 H new ATOM 0 HA TYR A 38 2.040 -3.651 -5.674 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.427 -5.439 -4.652 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.095 -6.572 -4.776 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.881 -4.104 -6.999 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.105 -7.999 -6.632 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.534 -4.624 -9.335 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.764 -8.518 -8.966 1.00 1.00 H new ATOM 0 HH TYR A 38 3.760 -7.800 -10.828 1.00 1.00 H new ATOM 639 N ALA A 39 -0.192 -3.989 -6.845 1.00 1.00 N ATOM 640 CA ALA A 39 -1.383 -4.302 -7.685 1.00 1.00 C ATOM 641 C ALA A 39 -1.408 -3.371 -8.897 1.00 1.00 C ATOM 642 O ALA A 39 -0.912 -2.262 -8.851 1.00 1.00 O ATOM 643 CB ALA A 39 -2.656 -4.100 -6.860 1.00 1.00 C ATOM 0 H ALA A 39 0.152 -3.031 -6.919 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.329 -5.337 -8.022 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.527 -4.329 -7.474 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.638 -4.762 -5.995 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.711 -3.065 -6.523 1.00 1.00 H new ATOM 649 N LEU A 40 -1.980 -3.810 -9.987 1.00 1.00 N ATOM 650 CA LEU A 40 -2.031 -2.946 -11.200 1.00 1.00 C ATOM 651 C LEU A 40 -3.248 -2.006 -11.098 1.00 1.00 C ATOM 652 O LEU A 40 -4.272 -2.368 -10.554 1.00 1.00 O ATOM 653 CB LEU A 40 -2.090 -3.846 -12.453 1.00 1.00 C ATOM 654 CG LEU A 40 -3.529 -4.041 -12.951 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.868 -2.948 -13.966 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.651 -5.408 -13.632 1.00 1.00 C ATOM 0 H LEU A 40 -2.413 -4.728 -10.089 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.139 -2.325 -11.277 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.488 -3.403 -13.247 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.651 -4.817 -12.224 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.215 -3.986 -12.106 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.890 -3.085 -14.321 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.776 -1.971 -13.492 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.180 -3.008 -14.809 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.672 -5.548 -13.986 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.964 -5.456 -14.477 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.404 -6.194 -12.918 1.00 1.00 H new ATOM 668 N PRO A 41 -3.124 -0.798 -11.592 1.00 1.00 N ATOM 669 CA PRO A 41 -4.215 0.215 -11.534 1.00 1.00 C ATOM 670 C PRO A 41 -5.609 -0.383 -11.763 1.00 1.00 C ATOM 671 O PRO A 41 -6.503 -0.221 -10.958 1.00 1.00 O ATOM 672 CB PRO A 41 -3.873 1.182 -12.669 1.00 1.00 C ATOM 673 CG PRO A 41 -2.396 1.054 -12.901 1.00 1.00 C ATOM 674 CD PRO A 41 -1.929 -0.263 -12.261 1.00 1.00 C ATOM 0 HA PRO A 41 -4.265 0.679 -10.549 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.431 0.935 -13.572 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.137 2.205 -12.401 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.176 1.058 -13.969 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.866 1.900 -12.463 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.552 -0.957 -13.013 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.120 -0.093 -11.550 1.00 1.00 H new ATOM 682 N GLY A 42 -5.801 -1.059 -12.857 1.00 1.00 N ATOM 683 CA GLY A 42 -7.144 -1.650 -13.142 1.00 1.00 C ATOM 684 C GLY A 42 -7.628 -2.460 -11.939 1.00 1.00 C ATOM 685 O GLY A 42 -8.757 -2.340 -11.517 1.00 1.00 O ATOM 0 H GLY A 42 -5.090 -1.231 -13.568 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.858 -0.858 -13.368 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.089 -2.290 -14.023 1.00 1.00 H new ATOM 689 N ARG A 43 -6.786 -3.289 -11.388 1.00 1.00 N ATOM 690 CA ARG A 43 -7.197 -4.116 -10.218 1.00 1.00 C ATOM 691 C ARG A 43 -7.524 -3.215 -9.023 1.00 1.00 C ATOM 692 O ARG A 43 -8.358 -3.543 -8.201 1.00 1.00 O ATOM 693 CB ARG A 43 -6.054 -5.062 -9.843 1.00 1.00 C ATOM 694 CG ARG A 43 -6.493 -5.963 -8.685 1.00 1.00 C ATOM 695 CD ARG A 43 -5.582 -7.191 -8.616 1.00 1.00 C ATOM 696 NE ARG A 43 -5.933 -8.131 -9.717 1.00 1.00 N ATOM 697 CZ ARG A 43 -5.598 -9.390 -9.634 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.954 -9.826 -8.586 1.00 1.00 N ATOM 699 NH2 ARG A 43 -5.907 -10.213 -10.598 1.00 1.00 N ATOM 0 H ARG A 43 -5.825 -3.430 -11.699 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.084 -4.692 -10.481 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.774 -5.669 -10.704 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.172 -4.488 -9.557 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.449 -5.412 -7.746 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.529 -6.273 -8.825 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.538 -6.888 -8.701 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -5.693 -7.686 -7.651 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.436 -7.791 -10.537 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -4.712 -9.183 -7.832 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -4.692 -10.810 -8.521 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.411 -9.873 -11.417 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -5.645 -11.197 -10.533 1.00 1.00 H new ATOM 713 N VAL A 44 -6.876 -2.087 -8.909 1.00 1.00 N ATOM 714 CA VAL A 44 -7.158 -1.185 -7.756 1.00 1.00 C ATOM 715 C VAL A 44 -8.451 -0.418 -8.019 1.00 1.00 C ATOM 716 O VAL A 44 -9.399 -0.496 -7.262 1.00 1.00 O ATOM 717 CB VAL A 44 -6.003 -0.198 -7.578 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.232 0.637 -6.314 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.687 -0.972 -7.448 1.00 1.00 C ATOM 0 H VAL A 44 -6.167 -1.752 -9.561 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.264 -1.779 -6.848 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.953 0.462 -8.444 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.408 1.340 -6.188 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.168 1.188 -6.406 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.283 -0.022 -5.447 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.863 -0.270 -7.321 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.737 -1.633 -6.582 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.523 -1.565 -8.348 1.00 1.00 H new ATOM 729 N LYS A 45 -8.506 0.317 -9.095 1.00 1.00 N ATOM 730 CA LYS A 45 -9.744 1.075 -9.412 1.00 1.00 C ATOM 731 C LYS A 45 -10.893 0.079 -9.562 1.00 1.00 C ATOM 732 O LYS A 45 -12.054 0.425 -9.468 1.00 1.00 O ATOM 733 CB LYS A 45 -9.554 1.842 -10.725 1.00 1.00 C ATOM 734 CG LYS A 45 -8.194 2.545 -10.725 1.00 1.00 C ATOM 735 CD LYS A 45 -7.932 3.139 -12.109 1.00 1.00 C ATOM 736 CE LYS A 45 -6.786 4.149 -12.027 1.00 1.00 C ATOM 737 NZ LYS A 45 -6.475 4.661 -13.391 1.00 1.00 N ATOM 0 H LYS A 45 -7.746 0.424 -9.767 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.964 1.786 -8.615 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -9.619 1.156 -11.570 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -10.352 2.574 -10.847 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.178 3.331 -9.970 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -7.406 1.838 -10.465 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.682 2.346 -12.814 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.833 3.626 -12.483 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -7.062 4.975 -11.371 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -5.903 3.679 -11.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -5.696 5.348 -13.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -6.195 3.869 -14.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -7.317 5.125 -13.788 1.00 1.00 H new ATOM 751 N ALA A 46 -10.564 -1.162 -9.795 1.00 1.00 N ATOM 752 CA ALA A 46 -11.612 -2.206 -9.956 1.00 1.00 C ATOM 753 C ALA A 46 -12.179 -2.576 -8.582 1.00 1.00 C ATOM 754 O ALA A 46 -13.366 -2.780 -8.424 1.00 1.00 O ATOM 755 CB ALA A 46 -10.985 -3.446 -10.599 1.00 1.00 C ATOM 0 H ALA A 46 -9.605 -1.499 -9.881 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.415 -1.828 -10.588 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.746 -4.217 -10.721 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.576 -3.183 -11.574 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.186 -3.823 -9.960 1.00 1.00 H new ATOM 761 N LEU A 47 -11.336 -2.668 -7.588 1.00 1.00 N ATOM 762 CA LEU A 47 -11.826 -3.028 -6.227 1.00 1.00 C ATOM 763 C LEU A 47 -12.791 -1.952 -5.723 1.00 1.00 C ATOM 764 O LEU A 47 -13.532 -2.167 -4.785 1.00 1.00 O ATOM 765 CB LEU A 47 -10.634 -3.135 -5.269 1.00 1.00 C ATOM 766 CG LEU A 47 -9.912 -4.475 -5.484 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.447 -4.341 -5.061 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.581 -5.566 -4.640 1.00 1.00 C ATOM 0 H LEU A 47 -10.331 -2.510 -7.660 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.346 -3.985 -6.272 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.944 -2.308 -5.439 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.977 -3.058 -4.237 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.968 -4.745 -6.539 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.936 -5.291 -5.214 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.964 -3.569 -5.660 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.396 -4.067 -4.007 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -10.066 -6.514 -4.796 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.529 -5.294 -3.586 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.625 -5.667 -4.937 1.00 1.00 H new ATOM 780 N CYS A 48 -12.788 -0.795 -6.335 1.00 1.00 N ATOM 781 CA CYS A 48 -13.706 0.298 -5.890 1.00 1.00 C ATOM 782 C CYS A 48 -14.657 0.650 -7.034 1.00 1.00 C ATOM 783 O CYS A 48 -15.190 1.740 -7.099 1.00 1.00 O ATOM 784 CB CYS A 48 -12.887 1.534 -5.507 1.00 1.00 C ATOM 785 SG CYS A 48 -12.167 1.299 -3.863 1.00 1.00 S ATOM 0 H CYS A 48 -12.188 -0.559 -7.126 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.279 -0.035 -5.025 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.098 1.702 -6.240 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.522 2.420 -5.514 1.00 1.00 H new ATOM 790 N LYS A 49 -14.872 -0.259 -7.942 1.00 1.00 N ATOM 791 CA LYS A 49 -15.785 0.029 -9.084 1.00 1.00 C ATOM 792 C LYS A 49 -17.227 -0.305 -8.685 1.00 1.00 C ATOM 793 O LYS A 49 -17.556 -1.438 -8.395 1.00 1.00 O ATOM 794 CB LYS A 49 -15.365 -0.825 -10.289 1.00 1.00 C ATOM 795 CG LYS A 49 -14.759 0.069 -11.379 1.00 1.00 C ATOM 796 CD LYS A 49 -14.360 -0.784 -12.591 1.00 1.00 C ATOM 797 CE LYS A 49 -15.552 -0.926 -13.541 1.00 1.00 C ATOM 798 NZ LYS A 49 -15.843 0.391 -14.175 1.00 1.00 N ATOM 0 H LYS A 49 -14.455 -1.190 -7.944 1.00 1.00 H new ATOM 0 HA LYS A 49 -15.726 1.085 -9.348 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -14.639 -1.576 -9.978 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -16.228 -1.361 -10.684 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.479 0.830 -11.680 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.886 0.593 -10.989 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -13.521 -0.322 -13.112 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.027 -1.768 -12.261 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.333 -1.670 -14.307 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -16.426 -1.279 -12.994 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.248 0.239 -15.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -16.522 0.916 -13.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.962 0.938 -14.259 1.00 1.00 H new ATOM 812 N ASN A 50 -18.088 0.675 -8.679 1.00 1.00 N ATOM 813 CA ASN A 50 -19.512 0.423 -8.311 1.00 1.00 C ATOM 814 C ASN A 50 -19.590 -0.242 -6.934 1.00 1.00 C ATOM 815 O ASN A 50 -20.143 -1.314 -6.786 1.00 1.00 O ATOM 816 CB ASN A 50 -20.150 -0.497 -9.355 1.00 1.00 C ATOM 817 CG ASN A 50 -19.777 -0.014 -10.757 1.00 1.00 C ATOM 818 OD1 ASN A 50 -19.601 1.168 -10.979 1.00 1.00 O ATOM 819 ND2 ASN A 50 -19.648 -0.884 -11.721 1.00 1.00 N ATOM 0 H ASN A 50 -17.867 1.643 -8.914 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.045 1.373 -8.279 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.809 -1.522 -9.209 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -21.234 -0.502 -9.237 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -19.400 -0.572 -12.660 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -19.795 -1.876 -11.536 1.00 1.00 H new ATOM 826 N ILE A 51 -19.051 0.387 -5.922 1.00 1.00 N ATOM 827 CA ILE A 51 -19.101 -0.196 -4.557 1.00 1.00 C ATOM 828 C ILE A 51 -20.070 0.621 -3.700 1.00 1.00 C ATOM 829 O ILE A 51 -21.272 0.557 -3.867 1.00 1.00 O ATOM 830 CB ILE A 51 -17.703 -0.132 -3.940 1.00 1.00 C ATOM 831 CG1 ILE A 51 -17.018 1.176 -4.353 1.00 1.00 C ATOM 832 CG2 ILE A 51 -16.869 -1.318 -4.423 1.00 1.00 C ATOM 833 CD1 ILE A 51 -15.886 1.496 -3.372 1.00 1.00 C ATOM 0 H ILE A 51 -18.575 1.287 -5.988 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.437 -1.232 -4.605 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.789 -0.171 -2.854 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.622 1.087 -5.365 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -17.743 1.990 -4.365 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -15.874 -1.267 -3.980 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -17.352 -2.248 -4.124 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -16.785 -1.285 -5.509 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -15.401 2.426 -3.668 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -16.295 1.603 -2.367 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -15.156 0.687 -3.382 1.00 1.00 H new ATOM 845 N ARG A 52 -19.548 1.393 -2.790 1.00 1.00 N ATOM 846 CA ARG A 52 -20.422 2.227 -1.916 1.00 1.00 C ATOM 847 C ARG A 52 -19.700 3.535 -1.585 1.00 1.00 C ATOM 848 O ARG A 52 -18.774 3.929 -2.263 1.00 1.00 O ATOM 849 CB ARG A 52 -20.727 1.469 -0.621 1.00 1.00 C ATOM 850 CG ARG A 52 -21.559 0.224 -0.940 1.00 1.00 C ATOM 851 CD ARG A 52 -22.201 -0.304 0.344 1.00 1.00 C ATOM 852 NE ARG A 52 -21.137 -0.640 1.330 1.00 1.00 N ATOM 853 CZ ARG A 52 -21.460 -1.113 2.503 1.00 1.00 C ATOM 854 NH1 ARG A 52 -22.716 -1.291 2.812 1.00 1.00 N ATOM 855 NH2 ARG A 52 -20.527 -1.407 3.368 1.00 1.00 N ATOM 0 H ARG A 52 -18.548 1.484 -2.612 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.356 2.444 -2.434 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -19.798 1.182 -0.128 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.269 2.114 0.071 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -22.330 0.466 -1.671 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -20.927 -0.544 -1.386 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -22.874 0.445 0.761 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -22.802 -1.187 0.126 1.00 1.00 H new ATOM 0 HE ARG A 52 -20.156 -0.501 1.089 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -23.445 -1.060 2.137 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -22.968 -1.661 3.729 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -19.546 -1.267 3.127 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -20.779 -1.777 4.285 1.00 1.00 H new ATOM 869 N ASP A 53 -20.117 4.212 -0.551 1.00 1.00 N ATOM 870 CA ASP A 53 -19.456 5.496 -0.176 1.00 1.00 C ATOM 871 C ASP A 53 -18.303 5.224 0.782 1.00 1.00 C ATOM 872 O ASP A 53 -17.680 4.182 0.753 1.00 1.00 O ATOM 873 CB ASP A 53 -20.477 6.410 0.507 1.00 1.00 C ATOM 874 CG ASP A 53 -20.914 5.786 1.834 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.858 5.013 1.820 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.298 6.091 2.842 1.00 1.00 O ATOM 0 H ASP A 53 -20.890 3.931 0.053 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.071 5.978 -1.074 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.041 7.394 0.682 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.341 6.555 -0.141 1.00 1.00 H new ATOM 881 N ASN A 54 -18.014 6.169 1.623 1.00 1.00 N ATOM 882 CA ASN A 54 -16.894 5.999 2.590 1.00 1.00 C ATOM 883 C ASN A 54 -17.217 4.858 3.555 1.00 1.00 C ATOM 884 O ASN A 54 -18.076 4.970 4.406 1.00 1.00 O ATOM 885 CB ASN A 54 -16.704 7.296 3.380 1.00 1.00 C ATOM 886 CG ASN A 54 -16.666 8.481 2.415 1.00 1.00 C ATOM 887 OD1 ASN A 54 -15.639 9.109 2.246 1.00 1.00 O ATOM 888 ND2 ASN A 54 -17.750 8.817 1.770 1.00 1.00 N ATOM 0 H ASN A 54 -18.507 7.060 1.686 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.979 5.764 2.047 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -17.518 7.421 4.095 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.779 7.252 3.955 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -17.735 9.606 1.124 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.612 8.290 1.912 1.00 1.00 H new ATOM 895 N THR A 55 -16.521 3.762 3.427 1.00 1.00 N ATOM 896 CA THR A 55 -16.764 2.603 4.328 1.00 1.00 C ATOM 897 C THR A 55 -15.526 1.703 4.319 1.00 1.00 C ATOM 898 O THR A 55 -14.656 1.845 3.486 1.00 1.00 O ATOM 899 CB THR A 55 -17.982 1.812 3.837 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.932 2.708 3.280 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.615 1.057 5.007 1.00 1.00 C ATOM 0 H THR A 55 -15.789 3.620 2.731 1.00 1.00 H new ATOM 0 HA THR A 55 -16.957 2.956 5.341 1.00 1.00 H new ATOM 0 HB THR A 55 -17.666 1.096 3.078 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.711 2.204 2.964 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.480 0.496 4.653 1.00 1.00 H new ATOM 0 HG22 THR A 55 -17.886 0.368 5.433 1.00 1.00 H new ATOM 0 HG23 THR A 55 -18.931 1.768 5.770 1.00 1.00 H new ATOM 909 N ASP A 56 -15.438 0.783 5.239 1.00 1.00 N ATOM 910 CA ASP A 56 -14.249 -0.118 5.282 1.00 1.00 C ATOM 911 C ASP A 56 -14.510 -1.365 4.436 1.00 1.00 C ATOM 912 O ASP A 56 -15.632 -1.814 4.301 1.00 1.00 O ATOM 913 CB ASP A 56 -13.981 -0.534 6.729 1.00 1.00 C ATOM 914 CG ASP A 56 -12.737 -1.425 6.782 1.00 1.00 C ATOM 915 OD1 ASP A 56 -12.871 -2.611 6.528 1.00 1.00 O ATOM 916 OD2 ASP A 56 -11.673 -0.905 7.074 1.00 1.00 O ATOM 0 H ASP A 56 -16.137 0.615 5.963 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.383 0.411 4.884 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.836 0.349 7.351 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.842 -1.069 7.130 1.00 1.00 H new ATOM 921 N VAL A 57 -13.476 -1.935 3.872 1.00 1.00 N ATOM 922 CA VAL A 57 -13.649 -3.163 3.041 1.00 1.00 C ATOM 923 C VAL A 57 -12.550 -4.169 3.393 1.00 1.00 C ATOM 924 O VAL A 57 -11.590 -3.845 4.069 1.00 1.00 O ATOM 925 CB VAL A 57 -13.569 -2.800 1.554 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.434 -1.568 1.283 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.119 -2.497 1.171 1.00 1.00 C ATOM 0 H VAL A 57 -12.516 -1.601 3.952 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.624 -3.606 3.243 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.930 -3.639 0.960 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.378 -1.309 0.226 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.469 -1.784 1.549 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.073 -0.731 1.881 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.068 -2.240 0.113 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.753 -1.660 1.766 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.501 -3.375 1.361 1.00 1.00 H new ATOM 937 N LEU A 58 -12.693 -5.389 2.952 1.00 1.00 N ATOM 938 CA LEU A 58 -11.677 -6.440 3.266 1.00 1.00 C ATOM 939 C LEU A 58 -11.349 -7.221 1.988 1.00 1.00 C ATOM 940 O LEU A 58 -12.235 -7.634 1.266 1.00 1.00 O ATOM 941 CB LEU A 58 -12.279 -7.390 4.319 1.00 1.00 C ATOM 942 CG LEU A 58 -11.270 -7.690 5.437 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.065 -8.432 4.857 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.807 -6.383 6.097 1.00 1.00 C ATOM 0 H LEU A 58 -13.477 -5.708 2.382 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.763 -5.988 3.651 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.176 -6.942 4.746 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.584 -8.321 3.841 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.751 -8.314 6.190 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.351 -8.644 5.653 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.396 -9.368 4.408 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.588 -7.813 4.096 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.092 -6.608 6.888 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.333 -5.746 5.350 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.667 -5.865 6.522 1.00 1.00 H new ATOM 956 N SER A 59 -10.089 -7.435 1.694 1.00 1.00 N ATOM 957 CA SER A 59 -9.753 -8.195 0.456 1.00 1.00 C ATOM 958 C SER A 59 -10.486 -9.543 0.488 1.00 1.00 C ATOM 959 O SER A 59 -10.858 -10.031 1.536 1.00 1.00 O ATOM 960 CB SER A 59 -8.236 -8.398 0.352 1.00 1.00 C ATOM 961 OG SER A 59 -7.755 -7.715 -0.798 1.00 1.00 O ATOM 0 H SER A 59 -9.293 -7.121 2.249 1.00 1.00 H new ATOM 0 HA SER A 59 -10.073 -7.634 -0.422 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.743 -8.020 1.248 1.00 1.00 H new ATOM 0 HB3 SER A 59 -8.002 -9.460 0.284 1.00 1.00 H new ATOM 0 HG SER A 59 -7.293 -8.349 -1.386 1.00 1.00 H new ATOM 967 N ARG A 60 -10.725 -10.127 -0.654 1.00 1.00 N ATOM 968 CA ARG A 60 -11.469 -11.420 -0.694 1.00 1.00 C ATOM 969 C ARG A 60 -10.536 -12.603 -0.417 1.00 1.00 C ATOM 970 O ARG A 60 -10.960 -13.742 -0.430 1.00 1.00 O ATOM 971 CB ARG A 60 -12.101 -11.594 -2.077 1.00 1.00 C ATOM 972 CG ARG A 60 -13.043 -10.422 -2.360 1.00 1.00 C ATOM 973 CD ARG A 60 -13.767 -10.659 -3.686 1.00 1.00 C ATOM 974 NE ARG A 60 -14.778 -9.584 -3.899 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.405 -8.418 -4.353 1.00 1.00 C ATOM 976 NH1 ARG A 60 -13.148 -8.193 -4.620 1.00 1.00 N ATOM 977 NH2 ARG A 60 -15.290 -7.477 -4.538 1.00 1.00 N ATOM 0 H ARG A 60 -10.437 -9.765 -1.563 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.239 -11.398 0.077 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.324 -11.642 -2.840 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.650 -12.534 -2.122 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.767 -10.320 -1.551 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.479 -9.490 -2.403 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -13.051 -10.667 -4.507 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.254 -11.634 -3.678 1.00 1.00 H new ATOM 0 HE ARG A 60 -15.761 -9.759 -3.690 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -12.456 -8.928 -4.474 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -12.857 -7.282 -4.975 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -16.273 -7.653 -4.328 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.999 -6.566 -4.893 1.00 1.00 H new ATOM 991 N ASP A 61 -9.280 -12.363 -0.168 1.00 1.00 N ATOM 992 CA ASP A 61 -8.363 -13.508 0.103 1.00 1.00 C ATOM 993 C ASP A 61 -7.010 -13.001 0.595 1.00 1.00 C ATOM 994 O ASP A 61 -6.781 -12.871 1.781 1.00 1.00 O ATOM 995 CB ASP A 61 -8.166 -14.315 -1.182 1.00 1.00 C ATOM 996 CG ASP A 61 -7.171 -15.450 -0.924 1.00 1.00 C ATOM 997 OD1 ASP A 61 -6.798 -15.633 0.223 1.00 1.00 O ATOM 998 OD2 ASP A 61 -6.802 -16.115 -1.877 1.00 1.00 O ATOM 0 H ASP A 61 -8.851 -11.438 -0.140 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.805 -14.139 0.874 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -9.120 -14.722 -1.518 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.797 -13.668 -1.978 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.103 -12.726 -0.301 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.762 -12.245 0.129 1.00 1.00 C ATOM 1005 C ALA A 62 -4.197 -11.273 -0.906 1.00 1.00 C ATOM 1006 O ALA A 62 -4.675 -11.184 -2.019 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.819 -13.440 0.273 1.00 1.00 C ATOM 0 H ALA A 62 -6.232 -12.813 -1.309 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.856 -11.731 1.086 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.835 -13.091 0.588 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.216 -14.129 1.019 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.733 -13.953 -0.685 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.174 -10.548 -0.543 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.561 -9.581 -1.497 1.00 1.00 C ATOM 1015 C PHE A 63 -1.065 -9.472 -1.194 1.00 1.00 C ATOM 1016 O PHE A 63 -0.661 -9.333 -0.056 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.228 -8.207 -1.336 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.349 -8.064 -2.339 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.596 -8.649 -2.085 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.141 -7.350 -3.526 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.633 -8.518 -3.016 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.177 -7.221 -4.457 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.424 -7.804 -4.202 1.00 1.00 C ATOM 0 H PHE A 63 -2.735 -10.584 0.377 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.704 -9.925 -2.521 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.617 -8.097 -0.324 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.493 -7.416 -1.483 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.757 -9.201 -1.171 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.180 -6.899 -3.723 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.595 -8.968 -2.819 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.015 -6.672 -5.373 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.224 -7.703 -4.920 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.243 -9.540 -2.205 1.00 1.00 N ATOM 1034 CA LEU A 64 1.227 -9.448 -1.984 1.00 1.00 C ATOM 1035 C LEU A 64 1.628 -7.984 -1.811 1.00 1.00 C ATOM 1036 O LEU A 64 1.580 -7.209 -2.745 1.00 1.00 O ATOM 1037 CB LEU A 64 1.953 -10.032 -3.200 1.00 1.00 C ATOM 1038 CG LEU A 64 3.411 -10.344 -2.846 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.027 -11.203 -3.953 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.209 -9.039 -2.709 1.00 1.00 C ATOM 0 H LEU A 64 -0.528 -9.656 -3.178 1.00 1.00 H new ATOM 0 HA LEU A 64 1.498 -10.005 -1.087 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.449 -10.940 -3.532 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.916 -9.325 -4.029 1.00 1.00 H new ATOM 0 HG LEU A 64 3.443 -10.883 -1.899 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.064 -11.427 -3.705 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.467 -12.133 -4.046 1.00 1.00 H new ATOM 0 HD13 LEU A 64 3.989 -10.661 -4.898 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.244 -9.270 -2.457 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.178 -8.493 -3.652 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.772 -8.426 -1.920 1.00 1.00 H new ATOM 1052 N LEU A 65 2.021 -7.593 -0.627 1.00 1.00 N ATOM 1053 CA LEU A 65 2.427 -6.174 -0.416 1.00 1.00 C ATOM 1054 C LEU A 65 3.876 -6.110 0.083 1.00 1.00 C ATOM 1055 O LEU A 65 4.252 -6.817 0.998 1.00 1.00 O ATOM 1056 CB LEU A 65 1.528 -5.492 0.630 1.00 1.00 C ATOM 1057 CG LEU A 65 0.546 -6.479 1.250 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.100 -5.925 2.603 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.670 -6.625 0.326 1.00 1.00 C ATOM 0 H LEU A 65 2.078 -8.191 0.197 1.00 1.00 H new ATOM 0 HA LEU A 65 2.330 -5.658 -1.371 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.147 -5.053 1.412 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.978 -4.675 0.162 1.00 1.00 H new ATOM 0 HG LEU A 65 1.015 -7.454 1.382 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.604 -6.617 3.065 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.968 -5.804 3.251 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.382 -4.958 2.459 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.377 -7.330 0.764 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.153 -5.655 0.204 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.345 -6.994 -0.647 1.00 1.00 H new ATOM 1071 N PRO A 66 4.671 -5.236 -0.478 1.00 1.00 N ATOM 1072 CA PRO A 66 6.079 -5.044 -0.043 1.00 1.00 C ATOM 1073 C PRO A 66 6.113 -4.274 1.281 1.00 1.00 C ATOM 1074 O PRO A 66 5.209 -3.518 1.576 1.00 1.00 O ATOM 1075 CB PRO A 66 6.711 -4.232 -1.176 1.00 1.00 C ATOM 1076 CG PRO A 66 5.576 -3.519 -1.840 1.00 1.00 C ATOM 1077 CD PRO A 66 4.313 -4.339 -1.588 1.00 1.00 C ATOM 0 HA PRO A 66 6.609 -5.980 0.132 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.446 -3.525 -0.790 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.232 -4.881 -1.880 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.467 -2.512 -1.437 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.760 -3.416 -2.909 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.470 -3.699 -1.325 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.022 -4.902 -2.475 1.00 1.00 H new ATOM 1085 N GLN A 67 7.114 -4.464 2.098 1.00 1.00 N ATOM 1086 CA GLN A 67 7.138 -3.729 3.397 1.00 1.00 C ATOM 1087 C GLN A 67 8.574 -3.390 3.797 1.00 1.00 C ATOM 1088 O GLN A 67 9.459 -4.220 3.742 1.00 1.00 O ATOM 1089 CB GLN A 67 6.498 -4.596 4.483 1.00 1.00 C ATOM 1090 CG GLN A 67 6.107 -3.720 5.676 1.00 1.00 C ATOM 1091 CD GLN A 67 5.754 -4.610 6.869 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.855 -5.421 6.792 1.00 1.00 O ATOM 1093 NE2 GLN A 67 6.432 -4.490 7.979 1.00 1.00 N ATOM 0 H GLN A 67 7.904 -5.086 1.927 1.00 1.00 H new ATOM 0 HA GLN A 67 6.578 -2.801 3.285 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.618 -5.102 4.087 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.195 -5.371 4.801 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.929 -3.054 5.937 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.257 -3.090 5.415 1.00 1.00 H new ATOM 0 HE21 GLN A 67 7.188 -3.808 8.044 1.00 1.00 H new ATOM 0 HE22 GLN A 67 6.206 -5.078 8.781 1.00 1.00 H new ATOM 1102 N CYS A 68 8.805 -2.174 4.216 1.00 1.00 N ATOM 1103 CA CYS A 68 10.178 -1.770 4.642 1.00 1.00 C ATOM 1104 C CYS A 68 10.261 -1.809 6.171 1.00 1.00 C ATOM 1105 O CYS A 68 9.330 -1.433 6.856 1.00 1.00 O ATOM 1106 CB CYS A 68 10.455 -0.348 4.161 1.00 1.00 C ATOM 1107 SG CYS A 68 9.994 -0.201 2.418 1.00 1.00 S ATOM 0 H CYS A 68 8.100 -1.440 4.282 1.00 1.00 H new ATOM 0 HA CYS A 68 10.913 -2.453 4.215 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.890 0.366 4.759 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.510 -0.108 4.291 1.00 1.00 H new ATOM 1112 N ASP A 69 11.362 -2.263 6.717 1.00 1.00 N ATOM 1113 CA ASP A 69 11.482 -2.323 8.208 1.00 1.00 C ATOM 1114 C ASP A 69 12.880 -1.877 8.652 1.00 1.00 C ATOM 1115 O ASP A 69 13.876 -2.471 8.289 1.00 1.00 O ATOM 1116 CB ASP A 69 11.238 -3.759 8.676 1.00 1.00 C ATOM 1117 CG ASP A 69 11.449 -3.846 10.188 1.00 1.00 C ATOM 1118 OD1 ASP A 69 11.080 -2.907 10.874 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.976 -4.851 10.636 1.00 1.00 O ATOM 0 H ASP A 69 12.177 -2.592 6.200 1.00 1.00 H new ATOM 0 HA ASP A 69 10.742 -1.654 8.649 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.224 -4.068 8.421 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.917 -4.440 8.164 1.00 1.00 H new ATOM 1124 N ARG A 70 12.960 -0.837 9.446 1.00 1.00 N ATOM 1125 CA ARG A 70 14.291 -0.358 9.926 1.00 1.00 C ATOM 1126 C ARG A 70 14.706 -1.163 11.159 1.00 1.00 C ATOM 1127 O ARG A 70 13.967 -1.272 12.118 1.00 1.00 O ATOM 1128 CB ARG A 70 14.194 1.125 10.293 1.00 1.00 C ATOM 1129 CG ARG A 70 15.592 1.682 10.599 1.00 1.00 C ATOM 1130 CD ARG A 70 16.064 1.221 11.987 1.00 1.00 C ATOM 1131 NE ARG A 70 16.819 2.325 12.642 1.00 1.00 N ATOM 1132 CZ ARG A 70 16.184 3.373 13.093 1.00 1.00 C ATOM 1133 NH1 ARG A 70 14.887 3.453 12.970 1.00 1.00 N ATOM 1134 NH2 ARG A 70 16.846 4.340 13.667 1.00 1.00 N ATOM 0 H ARG A 70 12.160 -0.300 9.782 1.00 1.00 H new ATOM 0 HA ARG A 70 15.033 -0.490 9.139 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.743 1.683 9.472 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.545 1.252 11.159 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.298 1.347 9.839 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.573 2.771 10.558 1.00 1.00 H new ATOM 0 HD2 ARG A 70 15.208 0.937 12.599 1.00 1.00 H new ATOM 0 HD3 ARG A 70 16.696 0.338 11.894 1.00 1.00 H new ATOM 0 HE ARG A 70 17.833 2.262 12.738 1.00 1.00 H new ATOM 0 HH11 ARG A 70 14.370 2.697 12.522 1.00 1.00 H new ATOM 0 HH12 ARG A 70 14.391 4.272 13.322 1.00 1.00 H new ATOM 0 HH21 ARG A 70 17.859 4.277 13.763 1.00 1.00 H new ATOM 0 HH22 ARG A 70 16.350 5.159 14.019 1.00 1.00 H new ATOM 1148 N ILE A 71 15.885 -1.729 11.140 1.00 1.00 N ATOM 1149 CA ILE A 71 16.357 -2.530 12.309 1.00 1.00 C ATOM 1150 C ILE A 71 17.745 -2.044 12.736 1.00 1.00 C ATOM 1151 O ILE A 71 18.148 -2.213 13.869 1.00 1.00 O ATOM 1152 CB ILE A 71 16.436 -4.007 11.913 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.025 -4.533 11.635 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.064 -4.809 13.055 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.113 -5.919 10.995 1.00 1.00 C ATOM 0 H ILE A 71 16.543 -1.671 10.363 1.00 1.00 H new ATOM 0 HA ILE A 71 15.659 -2.409 13.138 1.00 1.00 H new ATOM 0 HB ILE A 71 17.048 -4.113 11.017 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.456 -4.585 12.563 1.00 1.00 H new ATOM 0 HG13 ILE A 71 14.494 -3.848 10.973 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.120 -5.860 12.773 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.067 -4.433 13.255 1.00 1.00 H new ATOM 0 HG23 ILE A 71 16.452 -4.706 13.951 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.108 -6.293 10.797 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.666 -5.853 10.058 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.627 -6.601 11.673 1.00 1.00 H new ATOM 1167 N LYS A 72 18.480 -1.443 11.838 1.00 1.00 N ATOM 1168 CA LYS A 72 19.843 -0.951 12.194 1.00 1.00 C ATOM 1169 C LYS A 72 20.120 0.369 11.466 1.00 1.00 C ATOM 1170 O LYS A 72 19.407 0.751 10.560 1.00 1.00 O ATOM 1171 CB LYS A 72 20.883 -1.998 11.779 1.00 1.00 C ATOM 1172 CG LYS A 72 22.184 -1.768 12.550 1.00 1.00 C ATOM 1173 CD LYS A 72 23.192 -2.860 12.188 1.00 1.00 C ATOM 1174 CE LYS A 72 24.538 -2.555 12.850 1.00 1.00 C ATOM 1175 NZ LYS A 72 24.407 -2.696 14.328 1.00 1.00 N ATOM 0 H LYS A 72 18.195 -1.272 10.874 1.00 1.00 H new ATOM 0 HA LYS A 72 19.902 -0.785 13.270 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.503 -3.000 11.978 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.069 -1.935 10.707 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.593 -0.787 12.309 1.00 1.00 H new ATOM 0 HG3 LYS A 72 21.990 -1.778 13.623 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.825 -3.832 12.518 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.311 -2.915 11.106 1.00 1.00 H new ATOM 0 HE2 LYS A 72 25.302 -3.236 12.475 1.00 1.00 H new ATOM 0 HE3 LYS A 72 24.859 -1.545 12.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 25.353 -2.708 14.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 23.863 -1.894 14.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 23.914 -3.584 14.550 1.00 1.00 H new ATOM 1189 N LEU A 73 21.150 1.070 11.860 1.00 1.00 N ATOM 1190 CA LEU A 73 21.474 2.368 11.199 1.00 1.00 C ATOM 1191 C LEU A 73 20.262 3.304 11.327 1.00 1.00 C ATOM 1192 O LEU A 73 19.225 2.904 11.817 1.00 1.00 O ATOM 1193 CB LEU A 73 21.799 2.113 9.721 1.00 1.00 C ATOM 1194 CG LEU A 73 22.686 0.872 9.592 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.019 0.636 8.117 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.983 1.090 10.376 1.00 1.00 C ATOM 0 H LEU A 73 21.782 0.799 12.613 1.00 1.00 H new ATOM 0 HA LEU A 73 22.338 2.832 11.674 1.00 1.00 H new ATOM 0 HB2 LEU A 73 20.878 1.973 9.155 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.306 2.979 9.296 1.00 1.00 H new ATOM 0 HG LEU A 73 22.159 0.005 9.991 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.651 -0.247 8.023 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.097 0.484 7.556 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.547 1.503 7.720 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.616 0.207 10.285 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.509 1.956 9.975 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.749 1.262 11.427 1.00 1.00 H new ATOM 1208 N PRO A 74 20.380 4.542 10.903 1.00 1.00 N ATOM 1209 CA PRO A 74 19.276 5.527 10.987 1.00 1.00 C ATOM 1210 C PRO A 74 18.439 5.591 9.704 1.00 1.00 C ATOM 1211 O PRO A 74 17.320 6.063 9.708 1.00 1.00 O ATOM 1212 CB PRO A 74 20.021 6.845 11.215 1.00 1.00 C ATOM 1213 CG PRO A 74 21.376 6.664 10.581 1.00 1.00 C ATOM 1214 CD PRO A 74 21.565 5.162 10.301 1.00 1.00 C ATOM 0 HA PRO A 74 18.557 5.278 11.768 1.00 1.00 H new ATOM 0 HB2 PRO A 74 19.486 7.680 10.763 1.00 1.00 H new ATOM 0 HB3 PRO A 74 20.113 7.064 12.279 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.445 7.237 9.656 1.00 1.00 H new ATOM 0 HG3 PRO A 74 22.160 7.031 11.243 1.00 1.00 H new ATOM 0 HD2 PRO A 74 21.623 4.959 9.232 1.00 1.00 H new ATOM 0 HD3 PRO A 74 22.485 4.784 10.748 1.00 1.00 H new ATOM 1222 N CYS A 75 18.973 5.126 8.604 1.00 1.00 N ATOM 1223 CA CYS A 75 18.203 5.168 7.325 1.00 1.00 C ATOM 1224 C CYS A 75 18.461 3.888 6.524 1.00 1.00 C ATOM 1225 O CYS A 75 18.968 3.924 5.420 1.00 1.00 O ATOM 1226 CB CYS A 75 18.639 6.390 6.510 1.00 1.00 C ATOM 1227 SG CYS A 75 17.286 6.900 5.420 1.00 1.00 S ATOM 0 H CYS A 75 19.906 4.720 8.536 1.00 1.00 H new ATOM 0 HA CYS A 75 17.138 5.241 7.543 1.00 1.00 H new ATOM 0 HB2 CYS A 75 18.911 7.208 7.177 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.525 6.151 5.921 1.00 1.00 H new ATOM 1232 N HIS A 76 18.106 2.759 7.071 1.00 1.00 N ATOM 1233 CA HIS A 76 18.315 1.469 6.348 1.00 1.00 C ATOM 1234 C HIS A 76 17.148 0.534 6.667 1.00 1.00 C ATOM 1235 O HIS A 76 16.918 0.189 7.808 1.00 1.00 O ATOM 1236 CB HIS A 76 19.625 0.827 6.810 1.00 1.00 C ATOM 1237 CG HIS A 76 19.882 -0.419 6.010 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.251 -1.623 6.292 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.698 -0.667 4.934 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.693 -2.532 5.403 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.576 -1.999 4.556 1.00 1.00 N ATOM 0 H HIS A 76 17.678 2.672 7.993 1.00 1.00 H new ATOM 0 HA HIS A 76 18.366 1.650 5.274 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.450 1.529 6.685 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.569 0.585 7.871 1.00 1.00 H new ATOM 0 HD2 HIS A 76 21.336 0.061 4.455 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.373 -3.563 5.378 1.00 1.00 H new ATOM 0 HE2 HIS A 76 21.060 -2.470 3.792 1.00 1.00 H new ATOM 1250 N TYR A 77 16.399 0.134 5.672 1.00 1.00 N ATOM 1251 CA TYR A 77 15.235 -0.767 5.928 1.00 1.00 C ATOM 1252 C TYR A 77 15.462 -2.128 5.272 1.00 1.00 C ATOM 1253 O TYR A 77 16.276 -2.276 4.382 1.00 1.00 O ATOM 1254 CB TYR A 77 13.963 -0.137 5.347 1.00 1.00 C ATOM 1255 CG TYR A 77 14.094 1.366 5.346 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.705 2.015 4.265 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.605 2.110 6.424 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.825 3.410 4.265 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.724 3.503 6.424 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.334 4.153 5.345 1.00 1.00 C ATOM 1261 OH TYR A 77 14.451 5.528 5.344 1.00 1.00 O ATOM 0 H TYR A 77 16.542 0.391 4.695 1.00 1.00 H new ATOM 0 HA TYR A 77 15.127 -0.902 7.004 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.798 -0.498 4.332 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.096 -0.436 5.936 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.083 1.440 3.433 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.135 1.608 7.257 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.296 3.912 3.433 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.345 4.077 7.256 1.00 1.00 H new ATOM 0 HH TYR A 77 15.320 5.783 5.718 1.00 1.00 H new ATOM 1271 N LYS A 78 14.724 -3.117 5.701 1.00 1.00 N ATOM 1272 CA LYS A 78 14.858 -4.476 5.110 1.00 1.00 C ATOM 1273 C LYS A 78 13.631 -4.741 4.238 1.00 1.00 C ATOM 1274 O LYS A 78 12.559 -4.222 4.492 1.00 1.00 O ATOM 1275 CB LYS A 78 14.930 -5.520 6.229 1.00 1.00 C ATOM 1276 CG LYS A 78 16.338 -5.523 6.845 1.00 1.00 C ATOM 1277 CD LYS A 78 17.261 -6.449 6.040 1.00 1.00 C ATOM 1278 CE LYS A 78 17.143 -7.883 6.565 1.00 1.00 C ATOM 1279 NZ LYS A 78 17.723 -8.826 5.568 1.00 1.00 N ATOM 0 H LYS A 78 14.028 -3.038 6.443 1.00 1.00 H new ATOM 0 HA LYS A 78 15.767 -4.539 4.511 1.00 1.00 H new ATOM 0 HB2 LYS A 78 14.188 -5.297 6.996 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.693 -6.508 5.834 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.742 -4.511 6.854 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.290 -5.856 7.882 1.00 1.00 H new ATOM 0 HD2 LYS A 78 16.994 -6.415 4.984 1.00 1.00 H new ATOM 0 HD3 LYS A 78 18.293 -6.107 6.119 1.00 1.00 H new ATOM 0 HE2 LYS A 78 17.665 -7.977 7.517 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.097 -8.129 6.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.643 -9.800 5.924 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.206 -8.742 4.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.725 -8.595 5.414 1.00 1.00 H new ATOM 1293 N LEU A 79 13.777 -5.530 3.209 1.00 1.00 N ATOM 1294 CA LEU A 79 12.620 -5.814 2.313 1.00 1.00 C ATOM 1295 C LEU A 79 11.859 -7.045 2.819 1.00 1.00 C ATOM 1296 O LEU A 79 12.415 -8.115 2.965 1.00 1.00 O ATOM 1297 CB LEU A 79 13.137 -6.071 0.890 1.00 1.00 C ATOM 1298 CG LEU A 79 12.160 -5.487 -0.135 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.718 -5.687 -1.547 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.810 -6.198 -0.013 1.00 1.00 C ATOM 0 H LEU A 79 14.649 -5.991 2.950 1.00 1.00 H new ATOM 0 HA LEU A 79 11.944 -4.959 2.308 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.121 -5.620 0.765 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.254 -7.142 0.724 1.00 1.00 H new ATOM 0 HG LEU A 79 12.029 -4.422 0.054 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.022 -5.271 -2.276 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.679 -5.181 -1.633 1.00 1.00 H new ATOM 0 HD13 LEU A 79 12.850 -6.752 -1.738 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.113 -5.784 -0.742 1.00 1.00 H new ATOM 0 HD22 LEU A 79 10.942 -7.263 -0.202 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.412 -6.054 0.992 1.00 1.00 H new ATOM 1312 N SER A 80 10.589 -6.897 3.082 1.00 1.00 N ATOM 1313 CA SER A 80 9.781 -8.051 3.571 1.00 1.00 C ATOM 1314 C SER A 80 8.364 -7.946 3.000 1.00 1.00 C ATOM 1315 O SER A 80 7.682 -6.961 3.196 1.00 1.00 O ATOM 1316 CB SER A 80 9.719 -8.020 5.099 1.00 1.00 C ATOM 1317 OG SER A 80 8.842 -9.042 5.554 1.00 1.00 O ATOM 0 H SER A 80 10.074 -6.023 2.979 1.00 1.00 H new ATOM 0 HA SER A 80 10.240 -8.985 3.248 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.715 -8.166 5.518 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.369 -7.046 5.441 1.00 1.00 H new ATOM 0 HG SER A 80 8.801 -9.026 6.533 1.00 1.00 H new ATOM 1323 N SER A 81 7.919 -8.949 2.291 1.00 1.00 N ATOM 1324 CA SER A 81 6.547 -8.902 1.700 1.00 1.00 C ATOM 1325 C SER A 81 5.817 -10.215 1.987 1.00 1.00 C ATOM 1326 O SER A 81 6.424 -11.224 2.287 1.00 1.00 O ATOM 1327 CB SER A 81 6.655 -8.702 0.188 1.00 1.00 C ATOM 1328 OG SER A 81 6.738 -9.970 -0.449 1.00 1.00 O ATOM 0 H SER A 81 8.446 -9.800 2.095 1.00 1.00 H new ATOM 0 HA SER A 81 5.990 -8.076 2.142 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.788 -8.153 -0.181 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.535 -8.105 -0.049 1.00 1.00 H new ATOM 0 HG SER A 81 7.118 -9.861 -1.346 1.00 1.00 H new ATOM 1334 N SER A 82 4.514 -10.210 1.895 1.00 1.00 N ATOM 1335 CA SER A 82 3.743 -11.457 2.158 1.00 1.00 C ATOM 1336 C SER A 82 2.333 -11.308 1.597 1.00 1.00 C ATOM 1337 O SER A 82 1.898 -10.223 1.263 1.00 1.00 O ATOM 1338 CB SER A 82 3.674 -11.712 3.664 1.00 1.00 C ATOM 1339 OG SER A 82 4.982 -11.632 4.215 1.00 1.00 O ATOM 0 H SER A 82 3.951 -9.396 1.649 1.00 1.00 H new ATOM 0 HA SER A 82 4.239 -12.299 1.675 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.022 -10.979 4.139 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.245 -12.695 3.859 1.00 1.00 H new ATOM 0 HG SER A 82 5.638 -11.913 3.543 1.00 1.00 H new ATOM 1345 N THR A 83 1.623 -12.395 1.474 1.00 1.00 N ATOM 1346 CA THR A 83 0.255 -12.339 0.919 1.00 1.00 C ATOM 1347 C THR A 83 -0.772 -12.475 2.045 1.00 1.00 C ATOM 1348 O THR A 83 -0.818 -13.469 2.742 1.00 1.00 O ATOM 1349 CB THR A 83 0.108 -13.494 -0.068 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.089 -14.481 0.222 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.310 -12.978 -1.490 1.00 1.00 C ATOM 0 H THR A 83 1.942 -13.327 1.739 1.00 1.00 H new ATOM 0 HA THR A 83 0.084 -11.386 0.418 1.00 1.00 H new ATOM 0 HB THR A 83 -0.888 -13.928 0.020 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.999 -15.227 -0.407 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.205 -13.803 -2.195 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.437 -12.215 -1.710 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.307 -12.547 -1.582 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.600 -11.482 2.224 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.629 -11.554 3.300 1.00 1.00 C ATOM 1361 C ASN A 84 -3.748 -10.554 3.001 1.00 1.00 C ATOM 1362 O ASN A 84 -3.546 -9.575 2.310 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.984 -11.212 4.645 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.164 -9.929 4.507 1.00 1.00 C ATOM 1365 OD1 ASN A 84 0.049 -9.975 4.438 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.776 -8.777 4.463 1.00 1.00 N ATOM 0 H ASN A 84 -1.608 -10.624 1.672 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.043 -12.561 3.342 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.753 -11.084 5.407 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.344 -12.032 4.972 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -1.237 -7.916 4.371 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.794 -8.738 4.521 1.00 1.00 H new ATOM 1373 N THR A 85 -4.928 -10.789 3.515 1.00 1.00 N ATOM 1374 CA THR A 85 -6.050 -9.848 3.260 1.00 1.00 C ATOM 1375 C THR A 85 -5.712 -8.503 3.910 1.00 1.00 C ATOM 1376 O THR A 85 -4.967 -8.439 4.865 1.00 1.00 O ATOM 1377 CB THR A 85 -7.336 -10.423 3.875 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.084 -11.743 4.334 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.452 -10.457 2.827 1.00 1.00 C ATOM 0 H THR A 85 -5.159 -11.592 4.099 1.00 1.00 H new ATOM 0 HA THR A 85 -6.199 -9.709 2.189 1.00 1.00 H new ATOM 0 HB THR A 85 -7.648 -9.792 4.707 1.00 1.00 H new ATOM 0 HG1 THR A 85 -6.943 -12.335 3.566 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.358 -10.866 3.274 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.648 -9.446 2.471 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.146 -11.084 1.989 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.237 -7.426 3.391 1.00 1.00 N ATOM 1388 CA ILE A 86 -5.928 -6.087 3.973 1.00 1.00 C ATOM 1389 C ILE A 86 -7.229 -5.298 4.144 1.00 1.00 C ATOM 1390 O ILE A 86 -8.172 -5.469 3.395 1.00 1.00 O ATOM 1391 CB ILE A 86 -4.959 -5.341 3.031 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.700 -4.238 2.257 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.359 -6.337 2.032 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.797 -3.686 1.153 1.00 1.00 C ATOM 0 H ILE A 86 -6.867 -7.415 2.589 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.457 -6.198 4.949 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.170 -4.885 3.629 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.617 -4.638 1.824 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -5.991 -3.437 2.936 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.674 -5.815 1.364 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.818 -7.113 2.573 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.158 -6.792 1.448 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.326 -2.905 0.607 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -3.893 -3.270 1.597 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.528 -4.489 0.467 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.284 -4.425 5.116 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.512 -3.614 5.328 1.00 1.00 C ATOM 1408 C CYS A 87 -8.249 -2.201 4.803 1.00 1.00 C ATOM 1409 O CYS A 87 -7.211 -1.620 5.051 1.00 1.00 O ATOM 1410 CB CYS A 87 -8.843 -3.575 6.829 1.00 1.00 C ATOM 1411 SG CYS A 87 -7.361 -3.959 7.794 1.00 1.00 S ATOM 0 H CYS A 87 -6.526 -4.241 5.773 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.358 -4.050 4.797 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.221 -2.590 7.102 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.632 -4.293 7.056 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.164 -1.649 4.055 1.00 1.00 N ATOM 1417 CA ILE A 88 -8.942 -0.281 3.503 1.00 1.00 C ATOM 1418 C ILE A 88 -10.290 0.439 3.397 1.00 1.00 C ATOM 1419 O ILE A 88 -11.333 -0.183 3.394 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.263 -0.400 2.120 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.900 0.566 1.115 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.406 -1.828 1.588 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.090 0.554 -0.180 1.00 1.00 C ATOM 0 H ILE A 88 -10.052 -2.083 3.802 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.291 0.297 4.159 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.209 -0.149 2.240 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.931 0.274 0.915 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.929 1.574 1.530 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.925 -1.903 0.613 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -7.932 -2.524 2.281 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.463 -2.076 1.491 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.540 1.240 -0.897 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.067 0.867 0.028 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.084 -0.453 -0.596 1.00 1.00 H new ATOM 1435 N THR A 89 -10.281 1.747 3.313 1.00 1.00 N ATOM 1436 CA THR A 89 -11.567 2.496 3.207 1.00 1.00 C ATOM 1437 C THR A 89 -11.659 3.145 1.821 1.00 1.00 C ATOM 1438 O THR A 89 -10.733 3.789 1.356 1.00 1.00 O ATOM 1439 CB THR A 89 -11.633 3.560 4.315 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.309 3.016 5.440 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.387 4.801 3.826 1.00 1.00 C ATOM 0 H THR A 89 -9.440 2.325 3.313 1.00 1.00 H new ATOM 0 HA THR A 89 -12.409 1.815 3.332 1.00 1.00 H new ATOM 0 HB THR A 89 -10.618 3.851 4.587 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.354 3.688 6.151 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.423 5.543 4.624 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.873 5.222 2.962 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.402 4.522 3.543 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.779 2.964 1.165 1.00 1.00 N ATOM 1450 CA CYS A 90 -12.976 3.544 -0.197 1.00 1.00 C ATOM 1451 C CYS A 90 -14.258 4.386 -0.207 1.00 1.00 C ATOM 1452 O CYS A 90 -15.155 4.168 0.583 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.104 2.399 -1.208 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.681 2.991 -2.864 1.00 1.00 S ATOM 0 H CYS A 90 -13.574 2.433 1.521 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.128 4.176 -0.462 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.445 1.578 -0.926 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.121 2.008 -1.201 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.351 5.345 -1.092 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.576 6.200 -1.147 1.00 1.00 C ATOM 1461 C VAL A 91 -16.497 5.719 -2.270 1.00 1.00 C ATOM 1462 O VAL A 91 -16.595 4.539 -2.541 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.172 7.652 -1.407 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.165 8.099 -0.344 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.537 7.764 -2.797 1.00 1.00 C ATOM 0 H VAL A 91 -13.632 5.573 -1.779 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.104 6.131 -0.196 1.00 1.00 H new ATOM 0 HB VAL A 91 -16.054 8.290 -1.360 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -13.876 9.134 -0.528 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.619 8.020 0.644 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -13.281 7.462 -0.389 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -14.249 8.799 -2.983 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.654 7.127 -2.846 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -15.256 7.446 -3.552 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.173 6.627 -2.925 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.093 6.231 -4.031 1.00 1.00 C ATOM 1477 C ASN A 92 -17.414 5.211 -4.933 1.00 1.00 C ATOM 1478 O ASN A 92 -17.995 4.218 -5.325 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.468 7.468 -4.850 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.383 8.372 -4.021 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -20.445 7.958 -3.601 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -19.013 9.597 -3.769 1.00 1.00 N ATOM 0 H ASN A 92 -17.127 7.629 -2.740 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.993 5.787 -3.605 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.569 8.011 -5.140 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -18.971 7.169 -5.770 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -19.616 10.209 -3.219 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -18.121 9.943 -4.122 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.190 5.453 -5.258 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.442 4.508 -6.136 1.00 1.00 C ATOM 1491 C GLN A 93 -13.979 4.947 -6.242 1.00 1.00 C ATOM 1492 O GLN A 93 -13.399 4.948 -7.309 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.073 4.496 -7.532 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.065 5.911 -8.113 1.00 1.00 C ATOM 1495 CD GLN A 93 -17.020 5.979 -9.306 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -17.890 6.826 -9.356 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -16.892 5.117 -10.278 1.00 1.00 N ATOM 0 H GLN A 93 -15.661 6.271 -4.955 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.488 3.507 -5.707 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.521 3.821 -8.186 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.095 4.121 -7.477 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.366 6.630 -7.351 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.056 6.181 -8.425 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.162 4.406 -10.236 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -17.522 5.155 -11.079 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.380 5.313 -5.142 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.952 5.752 -5.167 1.00 1.00 C ATOM 1508 C LEU A 94 -11.287 5.363 -3.836 1.00 1.00 C ATOM 1509 O LEU A 94 -11.667 5.857 -2.792 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.880 7.279 -5.324 1.00 1.00 C ATOM 1511 CG LEU A 94 -12.272 7.697 -6.754 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -13.732 8.165 -6.778 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -11.372 8.847 -7.217 1.00 1.00 C ATOM 0 H LEU A 94 -13.819 5.328 -4.221 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.442 5.273 -6.003 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.546 7.756 -4.605 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.871 7.625 -5.102 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.152 6.842 -7.419 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -14.003 8.459 -7.792 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.380 7.352 -6.450 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.852 9.017 -6.109 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -11.650 9.142 -8.229 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.493 9.697 -6.545 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.332 8.522 -7.207 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.302 4.496 -3.858 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.597 4.065 -2.616 1.00 1.00 C ATOM 1527 C PRO A 95 -8.626 5.145 -2.131 1.00 1.00 C ATOM 1528 O PRO A 95 -7.833 5.655 -2.897 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.843 2.805 -3.047 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.605 2.970 -4.514 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.750 3.834 -5.055 1.00 1.00 C ATOM 0 HA PRO A 95 -10.279 3.887 -1.785 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.903 2.705 -2.505 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.427 1.908 -2.842 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.642 3.446 -4.698 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.583 2.001 -5.013 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.390 4.562 -5.782 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.503 3.227 -5.557 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.686 5.519 -0.876 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.763 6.588 -0.394 1.00 1.00 C ATOM 1541 C ILE A 96 -7.318 6.349 1.056 1.00 1.00 C ATOM 1542 O ILE A 96 -6.487 7.077 1.561 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.468 7.947 -0.497 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.737 7.949 0.371 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -8.857 8.205 -1.954 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.382 8.220 1.838 1.00 1.00 C ATOM 0 H ILE A 96 -9.323 5.137 -0.177 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.871 6.573 -1.021 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.792 8.727 -0.147 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.430 8.710 0.012 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.246 6.989 0.285 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.358 9.170 -2.031 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -7.961 8.211 -2.574 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.530 7.418 -2.296 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.291 8.218 2.439 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.707 7.444 2.199 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -8.894 9.191 1.921 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.840 5.357 1.746 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.387 5.147 3.159 1.00 1.00 C ATOM 1560 C HIS A 97 -6.915 3.704 3.361 1.00 1.00 C ATOM 1561 O HIS A 97 -7.618 2.758 3.071 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.545 5.450 4.122 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.381 6.829 4.706 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.157 7.302 5.159 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.277 7.849 4.915 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.348 8.554 5.615 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.621 8.932 5.489 1.00 1.00 N ATOM 0 H HIS A 97 -8.541 4.701 1.402 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.555 5.820 3.364 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.496 5.380 3.594 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.569 4.708 4.920 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.329 7.815 4.671 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -6.568 9.175 6.031 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -9.028 9.828 5.758 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.724 3.538 3.879 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.190 2.169 4.130 1.00 1.00 C ATOM 1578 C PHE A 98 -5.416 1.820 5.602 1.00 1.00 C ATOM 1579 O PHE A 98 -4.784 2.369 6.484 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.689 2.141 3.823 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.108 0.815 4.260 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.554 -0.372 3.665 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.126 0.772 5.258 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.017 -1.601 4.068 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.590 -0.458 5.661 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.035 -1.644 5.065 1.00 1.00 C ATOM 0 H PHE A 98 -5.096 4.299 4.140 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.699 1.447 3.492 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.523 2.289 2.756 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.186 2.958 4.340 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.312 -0.339 2.896 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.782 1.687 5.717 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.361 -2.516 3.609 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -0.834 -0.491 6.431 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.621 -2.592 5.374 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.317 0.922 5.876 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.591 0.550 7.292 1.00 1.00 C ATOM 1598 C ALA A 99 -5.341 -0.080 7.915 1.00 1.00 C ATOM 1599 O ALA A 99 -4.615 0.561 8.647 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.752 -0.446 7.332 1.00 1.00 C ATOM 0 H ALA A 99 -6.877 0.428 5.181 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.856 1.442 7.860 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.958 -0.723 8.366 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.639 0.012 6.895 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.486 -1.337 6.764 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.083 -1.330 7.633 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.879 -1.987 8.217 1.00 1.00 C ATOM 1608 C GLY A 100 -3.628 -3.324 7.517 1.00 1.00 C ATOM 1609 O GLY A 100 -4.167 -3.596 6.462 1.00 1.00 O ATOM 0 H GLY A 100 -5.651 -1.921 7.026 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.010 -1.339 8.106 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.023 -2.147 9.286 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.810 -4.162 8.097 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.520 -5.484 7.469 1.00 1.00 C ATOM 1615 C VAL A 101 -3.519 -6.524 7.978 1.00 1.00 C ATOM 1616 O VAL A 101 -4.101 -6.376 9.034 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.100 -5.920 7.838 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.001 -6.115 9.352 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.773 -7.240 7.134 1.00 1.00 C ATOM 0 H VAL A 101 -2.330 -3.988 8.980 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.607 -5.398 6.386 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.393 -5.153 7.523 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.011 -6.425 9.613 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.234 -5.177 9.856 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.709 -6.882 9.667 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.238 -7.551 7.396 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.482 -8.006 7.449 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.842 -7.104 6.055 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.727 -7.576 7.232 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.692 -8.623 7.674 1.00 1.00 C ATOM 1631 C GLY A 102 -6.064 -7.982 7.892 1.00 1.00 C ATOM 1632 O GLY A 102 -6.186 -6.779 8.005 1.00 1.00 O ATOM 0 H GLY A 102 -3.271 -7.755 6.337 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.760 -9.411 6.924 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.344 -9.089 8.596 1.00 1.00 H new ATOM 1636 N SER A 103 -7.100 -8.773 7.949 1.00 1.00 N ATOM 1637 CA SER A 103 -8.459 -8.201 8.158 1.00 1.00 C ATOM 1638 C SER A 103 -8.447 -7.302 9.397 1.00 1.00 C ATOM 1639 O SER A 103 -7.925 -7.664 10.432 1.00 1.00 O ATOM 1640 CB SER A 103 -9.466 -9.335 8.357 1.00 1.00 C ATOM 1641 OG SER A 103 -9.161 -10.395 7.460 1.00 1.00 O ATOM 0 H SER A 103 -7.064 -9.788 7.860 1.00 1.00 H new ATOM 0 HA SER A 103 -8.745 -7.613 7.286 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.431 -9.692 9.386 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.479 -8.973 8.180 1.00 1.00 H new ATOM 0 HG SER A 103 -9.803 -11.125 7.585 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.019 -6.133 9.300 1.00 1.00 N ATOM 1648 CA CYS A 104 -9.034 -5.219 10.478 1.00 1.00 C ATOM 1649 C CYS A 104 -10.100 -5.691 11.474 1.00 1.00 C ATOM 1650 O CYS A 104 -11.079 -6.303 11.096 1.00 1.00 O ATOM 1651 CB CYS A 104 -9.351 -3.792 10.022 1.00 1.00 C ATOM 1652 SG CYS A 104 -7.820 -2.983 9.492 1.00 1.00 S ATOM 0 H CYS A 104 -9.474 -5.772 8.461 1.00 1.00 H new ATOM 0 HA CYS A 104 -8.056 -5.231 10.959 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -10.069 -3.810 9.202 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -9.810 -3.231 10.836 1.00 1.00 H new ATOM 1657 N PRO A 105 -9.912 -5.409 12.739 1.00 1.00 N ATOM 1658 CA PRO A 105 -10.878 -5.813 13.804 1.00 1.00 C ATOM 1659 C PRO A 105 -12.192 -5.029 13.716 1.00 1.00 C ATOM 1660 O PRO A 105 -12.910 -5.005 14.703 1.00 1.00 O ATOM 1661 CB PRO A 105 -10.140 -5.490 15.109 1.00 1.00 C ATOM 1662 CG PRO A 105 -9.161 -4.421 14.749 1.00 1.00 C ATOM 1663 CD PRO A 105 -8.762 -4.675 13.295 1.00 1.00 C ATOM 1664 OXT PRO A 105 -12.456 -4.468 12.667 1.00 1.00 O ATOM 0 HA PRO A 105 -11.164 -6.861 13.719 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -10.832 -5.148 15.879 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -9.634 -6.371 15.504 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -9.606 -3.432 14.863 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -8.290 -4.456 15.403 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -8.586 -3.742 12.760 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -7.844 -5.259 13.228 1.00 1.00 H new TER 1672 PRO A 105