USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 92 ZNZN :(H bumps) USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.39 USER MOD Set 2.1: A 1 GLY N :NH3+ -122:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 24 ASN : amide:sc= 1.16 K(o=2.4,f=-5.9) USER MOD Single : A 2 SER OG : rot 180:sc= 0.159 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -88:sc= 0.489 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 13 LYS NZ :NH3+ -109:sc= 1.29 (180deg=0.215) USER MOD Single : A 16 SER OG : rot 180:sc= -0.525 USER MOD Single : A 18 TYR OH : rot 30:sc= 1.05 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 28 TYR OH : rot 128:sc= 1.07 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.461 K(o=0.46,f=-0.85) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 55 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.072) USER MOD Single : A 60 SER OG : rot -72:sc= 1.14 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -136:sc= 1.23 (180deg=-0.13) USER MOD Single : A 79 THR OG1 : rot 86:sc= 1.33 USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= 1.26 (180deg=-0.448) USER MOD Single : A 83 GLN : amide:sc= 1.46 K(o=1.5,f=-6.2!) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.21) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.719 -5.343 8.532 1.00 0.00 N ATOM 2 CA GLY A 1 13.784 -5.368 9.564 1.00 0.00 C ATOM 3 C GLY A 1 14.628 -6.619 9.470 1.00 0.00 C ATOM 4 O GLY A 1 15.022 -7.022 8.373 1.00 0.00 O ATOM 0 H1 GLY A 1 12.823 -4.490 7.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.798 -6.188 7.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.788 -5.334 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.421 -4.491 9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.332 -5.308 10.554 1.00 0.00 H new ATOM 10 N SER A 2 14.901 -7.239 10.613 1.00 0.00 N ATOM 11 CA SER A 2 15.631 -8.498 10.652 1.00 0.00 C ATOM 12 C SER A 2 14.873 -9.568 9.874 1.00 0.00 C ATOM 13 O SER A 2 15.471 -10.427 9.225 1.00 0.00 O ATOM 14 CB SER A 2 15.832 -8.931 12.103 1.00 0.00 C ATOM 15 OG SER A 2 15.661 -7.831 12.982 1.00 0.00 O ATOM 0 H SER A 2 14.625 -6.886 11.529 1.00 0.00 H new ATOM 0 HA SER A 2 16.607 -8.362 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.121 -9.718 12.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.830 -9.351 12.228 1.00 0.00 H new ATOM 0 HG SER A 2 15.792 -8.128 13.907 1.00 0.00 H new ATOM 21 N MET A 3 13.551 -9.498 9.944 1.00 0.00 N ATOM 22 CA MET A 3 12.696 -10.357 9.148 1.00 0.00 C ATOM 23 C MET A 3 12.529 -9.742 7.763 1.00 0.00 C ATOM 24 O MET A 3 12.164 -8.571 7.643 1.00 0.00 O ATOM 25 CB MET A 3 11.337 -10.531 9.834 1.00 0.00 C ATOM 26 CG MET A 3 10.225 -10.991 8.902 1.00 0.00 C ATOM 27 SD MET A 3 8.742 -9.976 9.041 1.00 0.00 S ATOM 28 CE MET A 3 8.068 -10.580 10.591 1.00 0.00 C ATOM 0 H MET A 3 13.048 -8.849 10.549 1.00 0.00 H new ATOM 0 HA MET A 3 13.151 -11.343 9.049 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.440 -11.254 10.643 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.047 -9.583 10.288 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.584 -10.965 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.974 -12.028 9.126 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.144 -10.048 10.818 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.861 -11.647 10.507 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.789 -10.412 11.391 1.00 0.00 H new ATOM 38 N PRO A 4 12.814 -10.516 6.706 1.00 0.00 N ATOM 39 CA PRO A 4 12.771 -10.026 5.324 1.00 0.00 C ATOM 40 C PRO A 4 11.360 -9.656 4.865 1.00 0.00 C ATOM 41 O PRO A 4 10.647 -10.465 4.268 1.00 0.00 O ATOM 42 CB PRO A 4 13.312 -11.201 4.506 1.00 0.00 C ATOM 43 CG PRO A 4 13.076 -12.399 5.356 1.00 0.00 C ATOM 44 CD PRO A 4 13.210 -11.933 6.777 1.00 0.00 C ATOM 0 HA PRO A 4 13.347 -9.108 5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.796 -11.287 3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.372 -11.075 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.086 -12.817 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.799 -13.184 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.564 -12.498 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.230 -12.048 7.144 1.00 0.00 H new ATOM 52 N THR A 5 10.963 -8.430 5.153 1.00 0.00 N ATOM 53 CA THR A 5 9.693 -7.909 4.689 1.00 0.00 C ATOM 54 C THR A 5 9.928 -6.998 3.495 1.00 0.00 C ATOM 55 O THR A 5 10.723 -6.061 3.576 1.00 0.00 O ATOM 56 CB THR A 5 8.976 -7.130 5.804 1.00 0.00 C ATOM 57 OG1 THR A 5 9.622 -7.373 7.061 1.00 0.00 O ATOM 58 CG2 THR A 5 7.512 -7.535 5.892 1.00 0.00 C ATOM 0 H THR A 5 11.508 -7.773 5.711 1.00 0.00 H new ATOM 0 HA THR A 5 9.059 -8.747 4.397 1.00 0.00 H new ATOM 0 HB THR A 5 9.027 -6.067 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.229 -8.165 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.026 -6.971 6.688 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.018 -7.324 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.442 -8.601 6.108 1.00 0.00 H new ATOM 66 N THR A 6 9.276 -7.289 2.378 1.00 0.00 N ATOM 67 CA THR A 6 9.484 -6.514 1.167 1.00 0.00 C ATOM 68 C THR A 6 8.165 -6.143 0.503 1.00 0.00 C ATOM 69 O THR A 6 7.133 -6.774 0.747 1.00 0.00 O ATOM 70 CB THR A 6 10.365 -7.281 0.168 1.00 0.00 C ATOM 71 OG1 THR A 6 11.208 -8.202 0.876 1.00 0.00 O ATOM 72 CG2 THR A 6 11.223 -6.322 -0.647 1.00 0.00 C ATOM 0 H THR A 6 8.604 -8.051 2.287 1.00 0.00 H new ATOM 0 HA THR A 6 9.992 -5.596 1.461 1.00 0.00 H new ATOM 0 HB THR A 6 9.716 -7.828 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.767 -8.691 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.837 -6.889 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.579 -5.639 -1.201 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.867 -5.752 0.022 1.00 0.00 H new ATOM 80 N CYS A 7 8.220 -5.110 -0.326 1.00 0.00 N ATOM 81 CA CYS A 7 7.058 -4.590 -1.020 1.00 0.00 C ATOM 82 C CYS A 7 6.389 -5.611 -1.927 1.00 0.00 C ATOM 83 O CYS A 7 7.010 -6.566 -2.408 1.00 0.00 O ATOM 84 CB CYS A 7 7.465 -3.398 -1.874 1.00 0.00 C ATOM 85 SG CYS A 7 6.161 -2.151 -2.074 1.00 0.00 S ATOM 0 H CYS A 7 9.082 -4.607 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 7 6.342 -4.309 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.339 -2.925 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.765 -3.756 -2.859 1.00 0.00 H new ATOM 90 N GLY A 8 5.110 -5.371 -2.156 1.00 0.00 N ATOM 91 CA GLY A 8 4.375 -6.089 -3.163 1.00 0.00 C ATOM 92 C GLY A 8 4.194 -5.236 -4.402 1.00 0.00 C ATOM 93 O GLY A 8 3.638 -5.686 -5.406 1.00 0.00 O ATOM 0 H GLY A 8 4.561 -4.676 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.903 -7.007 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.401 -6.381 -2.771 1.00 0.00 H new ATOM 97 N PHE A 9 4.666 -3.993 -4.317 1.00 0.00 N ATOM 98 CA PHE A 9 4.613 -3.067 -5.439 1.00 0.00 C ATOM 99 C PHE A 9 5.587 -3.516 -6.519 1.00 0.00 C ATOM 100 O PHE A 9 6.686 -3.983 -6.211 1.00 0.00 O ATOM 101 CB PHE A 9 4.980 -1.650 -4.982 1.00 0.00 C ATOM 102 CG PHE A 9 3.855 -0.656 -5.058 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.977 -0.499 -3.998 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.684 0.128 -6.188 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.949 0.423 -4.064 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.659 1.051 -6.259 1.00 0.00 C ATOM 107 CZ PHE A 9 1.790 1.199 -5.195 1.00 0.00 C ATOM 0 H PHE A 9 5.092 -3.605 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 9 3.598 -3.059 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.338 -1.696 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.808 -1.289 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.097 -1.103 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.360 0.016 -7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.271 0.536 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.537 1.656 -7.145 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.988 1.920 -5.248 1.00 0.00 H new ATOM 117 N PRO A 10 5.202 -3.392 -7.796 1.00 0.00 N ATOM 118 CA PRO A 10 6.077 -3.745 -8.913 1.00 0.00 C ATOM 119 C PRO A 10 7.327 -2.875 -8.954 1.00 0.00 C ATOM 120 O PRO A 10 8.377 -3.287 -9.448 1.00 0.00 O ATOM 121 CB PRO A 10 5.206 -3.505 -10.153 1.00 0.00 C ATOM 122 CG PRO A 10 4.113 -2.599 -9.699 1.00 0.00 C ATOM 123 CD PRO A 10 3.882 -2.924 -8.250 1.00 0.00 C ATOM 0 HA PRO A 10 6.442 -4.769 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.784 -3.051 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.805 -4.442 -10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.395 -1.554 -9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.207 -2.757 -10.284 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.550 -2.050 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.118 -3.692 -8.126 1.00 0.00 H new ATOM 131 N ASN A 11 7.209 -1.684 -8.394 1.00 0.00 N ATOM 132 CA ASN A 11 8.298 -0.717 -8.407 1.00 0.00 C ATOM 133 C ASN A 11 8.272 0.163 -7.157 1.00 0.00 C ATOM 134 O ASN A 11 7.773 1.289 -7.189 1.00 0.00 O ATOM 135 CB ASN A 11 8.215 0.160 -9.664 1.00 0.00 C ATOM 136 CG ASN A 11 9.483 0.961 -9.900 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.590 0.503 -9.609 1.00 0.00 O ATOM 138 ND2 ASN A 11 9.333 2.164 -10.436 1.00 0.00 N ATOM 0 H ASN A 11 6.365 -1.360 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 11 9.237 -1.271 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.021 -0.471 -10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.370 0.842 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.150 2.745 -10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.400 2.508 -10.663 1.00 0.00 H new ATOM 145 N CYS A 12 8.784 -0.364 -6.051 1.00 0.00 N ATOM 146 CA CYS A 12 8.916 0.414 -4.827 1.00 0.00 C ATOM 147 C CYS A 12 10.102 1.366 -4.950 1.00 0.00 C ATOM 148 O CYS A 12 11.252 0.989 -4.700 1.00 0.00 O ATOM 149 CB CYS A 12 9.093 -0.509 -3.615 1.00 0.00 C ATOM 150 SG CYS A 12 8.961 0.336 -2.001 1.00 0.00 S ATOM 0 H CYS A 12 9.114 -1.326 -5.977 1.00 0.00 H new ATOM 0 HA CYS A 12 8.006 0.995 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.342 -1.298 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.068 -0.992 -3.680 1.00 0.00 H new ATOM 155 N LYS A 13 9.818 2.601 -5.343 1.00 0.00 N ATOM 156 CA LYS A 13 10.863 3.594 -5.572 1.00 0.00 C ATOM 157 C LYS A 13 11.369 4.193 -4.262 1.00 0.00 C ATOM 158 O LYS A 13 12.163 5.134 -4.266 1.00 0.00 O ATOM 159 CB LYS A 13 10.351 4.702 -6.495 1.00 0.00 C ATOM 160 CG LYS A 13 9.123 5.429 -5.968 1.00 0.00 C ATOM 161 CD LYS A 13 8.030 5.515 -7.023 1.00 0.00 C ATOM 162 CE LYS A 13 8.527 6.165 -8.306 1.00 0.00 C ATOM 163 NZ LYS A 13 8.377 7.644 -8.280 1.00 0.00 N ATOM 0 H LYS A 13 8.871 2.941 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 13 11.700 3.086 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.150 5.427 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.115 4.270 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.741 4.910 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.402 6.433 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.659 4.514 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.190 6.086 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.576 5.910 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.975 5.760 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.621 7.928 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.134 7.951 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.271 8.089 -8.570 1.00 0.00 H new ATOM 177 N PHE A 14 10.912 3.643 -3.145 1.00 0.00 N ATOM 178 CA PHE A 14 11.370 4.094 -1.840 1.00 0.00 C ATOM 179 C PHE A 14 12.602 3.304 -1.425 1.00 0.00 C ATOM 180 O PHE A 14 13.499 3.831 -0.767 1.00 0.00 O ATOM 181 CB PHE A 14 10.255 3.968 -0.800 1.00 0.00 C ATOM 182 CG PHE A 14 9.323 5.148 -0.807 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.436 5.333 -1.856 1.00 0.00 C ATOM 184 CD2 PHE A 14 9.347 6.080 0.220 1.00 0.00 C ATOM 185 CE1 PHE A 14 7.589 6.423 -1.883 1.00 0.00 C ATOM 186 CE2 PHE A 14 8.497 7.172 0.197 1.00 0.00 C ATOM 187 CZ PHE A 14 7.619 7.343 -0.857 1.00 0.00 C ATOM 0 H PHE A 14 10.228 2.887 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 14 11.640 5.148 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.685 3.059 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.697 3.865 0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.407 4.615 -2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.034 5.953 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.904 6.555 -2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.520 7.891 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.957 8.196 -0.877 1.00 0.00 H new ATOM 197 N ARG A 15 12.658 2.051 -1.855 1.00 0.00 N ATOM 198 CA ARG A 15 13.845 1.231 -1.663 1.00 0.00 C ATOM 199 C ARG A 15 15.016 1.829 -2.444 1.00 0.00 C ATOM 200 O ARG A 15 16.167 1.778 -2.008 1.00 0.00 O ATOM 201 CB ARG A 15 13.563 -0.209 -2.115 1.00 0.00 C ATOM 202 CG ARG A 15 14.771 -0.934 -2.691 1.00 0.00 C ATOM 203 CD ARG A 15 14.356 -2.118 -3.549 1.00 0.00 C ATOM 204 NE ARG A 15 14.394 -3.371 -2.799 1.00 0.00 N ATOM 205 CZ ARG A 15 13.837 -4.510 -3.208 1.00 0.00 C ATOM 206 NH1 ARG A 15 13.198 -4.556 -4.369 1.00 0.00 N ATOM 207 NH2 ARG A 15 13.914 -5.599 -2.445 1.00 0.00 N ATOM 0 H ARG A 15 11.894 1.580 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 15 14.109 1.212 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.185 -0.777 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.772 -0.193 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.362 -0.240 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.411 -1.279 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.349 -1.954 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.017 -2.191 -4.412 1.00 0.00 H new ATOM 0 HE ARG A 15 14.880 -3.374 -1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.133 -3.719 -4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.772 -5.428 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.399 -5.560 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.488 -6.472 -2.757 1.00 0.00 H new ATOM 221 N SER A 16 14.703 2.406 -3.600 1.00 0.00 N ATOM 222 CA SER A 16 15.698 3.062 -4.435 1.00 0.00 C ATOM 223 C SER A 16 15.915 4.509 -3.988 1.00 0.00 C ATOM 224 O SER A 16 16.816 5.200 -4.474 1.00 0.00 O ATOM 225 CB SER A 16 15.233 3.023 -5.891 1.00 0.00 C ATOM 226 OG SER A 16 13.923 2.478 -5.980 1.00 0.00 O ATOM 0 H SER A 16 13.757 2.431 -3.981 1.00 0.00 H new ATOM 0 HA SER A 16 16.647 2.535 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.244 4.029 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.924 2.424 -6.484 1.00 0.00 H new ATOM 0 HG SER A 16 13.639 2.461 -6.918 1.00 0.00 H new ATOM 232 N ARG A 17 15.085 4.961 -3.057 1.00 0.00 N ATOM 233 CA ARG A 17 15.162 6.323 -2.550 1.00 0.00 C ATOM 234 C ARG A 17 16.299 6.449 -1.551 1.00 0.00 C ATOM 235 O ARG A 17 17.069 7.409 -1.584 1.00 0.00 O ATOM 236 CB ARG A 17 13.841 6.718 -1.886 1.00 0.00 C ATOM 237 CG ARG A 17 13.672 8.213 -1.686 1.00 0.00 C ATOM 238 CD ARG A 17 12.251 8.649 -1.993 1.00 0.00 C ATOM 239 NE ARG A 17 11.941 8.517 -3.416 1.00 0.00 N ATOM 240 CZ ARG A 17 10.740 8.728 -3.948 1.00 0.00 C ATOM 241 NH1 ARG A 17 9.707 9.067 -3.180 1.00 0.00 N ATOM 242 NH2 ARG A 17 10.579 8.599 -5.255 1.00 0.00 N ATOM 0 H ARG A 17 14.346 4.399 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 17 15.351 6.994 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.016 6.348 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.771 6.222 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.922 8.476 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.368 8.750 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.552 8.048 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.114 9.686 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 17 12.697 8.244 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.832 9.167 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.791 9.226 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.371 8.340 -5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.663 8.758 -5.674 1.00 0.00 H new ATOM 256 N TYR A 18 16.404 5.470 -0.667 1.00 0.00 N ATOM 257 CA TYR A 18 17.419 5.487 0.372 1.00 0.00 C ATOM 258 C TYR A 18 18.605 4.615 -0.025 1.00 0.00 C ATOM 259 O TYR A 18 18.584 3.955 -1.067 1.00 0.00 O ATOM 260 CB TYR A 18 16.825 5.012 1.700 1.00 0.00 C ATOM 261 CG TYR A 18 15.443 5.563 1.978 1.00 0.00 C ATOM 262 CD1 TYR A 18 15.212 6.933 2.005 1.00 0.00 C ATOM 263 CD2 TYR A 18 14.364 4.715 2.204 1.00 0.00 C ATOM 264 CE1 TYR A 18 13.952 7.441 2.246 1.00 0.00 C ATOM 265 CE2 TYR A 18 13.102 5.217 2.447 1.00 0.00 C ATOM 266 CZ TYR A 18 12.901 6.579 2.466 1.00 0.00 C ATOM 267 OH TYR A 18 11.642 7.082 2.702 1.00 0.00 O ATOM 0 H TYR A 18 15.796 4.651 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 18 17.773 6.511 0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.779 3.923 1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 18 17.493 5.302 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.034 7.613 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 18 14.516 3.646 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.791 8.509 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.275 4.544 2.622 1.00 0.00 H new ATOM 0 HH TYR A 18 11.539 7.939 2.237 1.00 0.00 H new ATOM 277 N ARG A 19 19.642 4.623 0.797 1.00 0.00 N ATOM 278 CA ARG A 19 20.843 3.853 0.511 1.00 0.00 C ATOM 279 C ARG A 19 21.051 2.763 1.556 1.00 0.00 C ATOM 280 O ARG A 19 21.650 3.000 2.605 1.00 0.00 O ATOM 281 CB ARG A 19 22.061 4.779 0.456 1.00 0.00 C ATOM 282 CG ARG A 19 22.732 4.832 -0.907 1.00 0.00 C ATOM 283 CD ARG A 19 21.718 4.826 -2.039 1.00 0.00 C ATOM 284 NE ARG A 19 22.085 3.877 -3.086 1.00 0.00 N ATOM 285 CZ ARG A 19 21.469 2.714 -3.291 1.00 0.00 C ATOM 286 NH1 ARG A 19 20.384 2.396 -2.594 1.00 0.00 N ATOM 287 NH2 ARG A 19 21.917 1.881 -4.220 1.00 0.00 N ATOM 0 H ARG A 19 19.677 5.154 1.667 1.00 0.00 H new ATOM 0 HA ARG A 19 20.721 3.372 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.753 5.786 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.790 4.449 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 19 23.346 5.730 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.402 3.979 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.734 4.571 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.642 5.826 -2.465 1.00 0.00 H new ATOM 0 HE ARG A 19 22.863 4.120 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.018 3.044 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.917 1.504 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.734 2.131 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.445 0.990 -4.377 1.00 0.00 H new ATOM 301 N GLY A 20 20.540 1.572 1.268 1.00 0.00 N ATOM 302 CA GLY A 20 20.688 0.459 2.187 1.00 0.00 C ATOM 303 C GLY A 20 19.481 0.315 3.086 1.00 0.00 C ATOM 304 O GLY A 20 19.427 -0.568 3.945 1.00 0.00 O ATOM 0 H GLY A 20 20.025 1.357 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.834 -0.462 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 20 21.580 0.605 2.796 1.00 0.00 H new ATOM 308 N LEU A 21 18.511 1.185 2.875 1.00 0.00 N ATOM 309 CA LEU A 21 17.286 1.181 3.644 1.00 0.00 C ATOM 310 C LEU A 21 16.118 0.939 2.711 1.00 0.00 C ATOM 311 O LEU A 21 15.663 1.849 2.026 1.00 0.00 O ATOM 312 CB LEU A 21 17.106 2.512 4.385 1.00 0.00 C ATOM 313 CG LEU A 21 18.276 2.921 5.287 1.00 0.00 C ATOM 314 CD1 LEU A 21 19.042 4.087 4.678 1.00 0.00 C ATOM 315 CD2 LEU A 21 17.775 3.282 6.678 1.00 0.00 C ATOM 0 H LEU A 21 18.553 1.915 2.164 1.00 0.00 H new ATOM 0 HA LEU A 21 17.333 0.386 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.943 3.300 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.203 2.452 4.993 1.00 0.00 H new ATOM 0 HG LEU A 21 18.955 2.073 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.868 4.362 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.434 3.796 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.373 4.940 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.619 3.570 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.074 4.114 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.273 2.421 7.119 1.00 0.00 H new ATOM 327 N GLU A 22 15.686 -0.313 2.655 1.00 0.00 N ATOM 328 CA GLU A 22 14.535 -0.707 1.849 1.00 0.00 C ATOM 329 C GLU A 22 13.336 0.160 2.180 1.00 0.00 C ATOM 330 O GLU A 22 12.758 0.819 1.318 1.00 0.00 O ATOM 331 CB GLU A 22 14.209 -2.182 2.106 1.00 0.00 C ATOM 332 CG GLU A 22 13.631 -2.904 0.902 1.00 0.00 C ATOM 333 CD GLU A 22 14.628 -3.843 0.252 1.00 0.00 C ATOM 334 OE1 GLU A 22 15.581 -3.358 -0.392 1.00 0.00 O ATOM 335 OE2 GLU A 22 14.459 -5.075 0.364 1.00 0.00 O ATOM 0 H GLU A 22 16.120 -1.083 3.164 1.00 0.00 H new ATOM 0 HA GLU A 22 14.776 -0.571 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.117 -2.695 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.501 -2.249 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.752 -3.470 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.297 -2.170 0.169 1.00 0.00 H new ATOM 342 N ASP A 23 13.018 0.157 3.449 1.00 0.00 N ATOM 343 CA ASP A 23 11.921 0.937 4.010 1.00 0.00 C ATOM 344 C ASP A 23 11.837 0.655 5.496 1.00 0.00 C ATOM 345 O ASP A 23 11.981 1.551 6.326 1.00 0.00 O ATOM 346 CB ASP A 23 10.584 0.585 3.350 1.00 0.00 C ATOM 347 CG ASP A 23 9.556 1.678 3.536 1.00 0.00 C ATOM 348 OD1 ASP A 23 9.569 2.651 2.757 1.00 0.00 O ATOM 349 OD2 ASP A 23 8.746 1.587 4.484 1.00 0.00 O ATOM 0 H ASP A 23 13.519 -0.396 4.144 1.00 0.00 H new ATOM 0 HA ASP A 23 12.116 1.993 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.740 0.411 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.205 -0.345 3.773 1.00 0.00 H new ATOM 354 N ASN A 24 11.637 -0.623 5.812 1.00 0.00 N ATOM 355 CA ASN A 24 11.600 -1.117 7.192 1.00 0.00 C ATOM 356 C ASN A 24 10.615 -0.342 8.064 1.00 0.00 C ATOM 357 O ASN A 24 10.823 -0.191 9.269 1.00 0.00 O ATOM 358 CB ASN A 24 13.003 -1.073 7.809 1.00 0.00 C ATOM 359 CG ASN A 24 13.915 -2.143 7.238 1.00 0.00 C ATOM 360 OD1 ASN A 24 13.492 -3.270 6.988 1.00 0.00 O ATOM 361 ND2 ASN A 24 15.174 -1.797 7.027 1.00 0.00 N ATOM 0 H ASN A 24 11.495 -1.353 5.114 1.00 0.00 H new ATOM 0 HA ASN A 24 11.251 -2.149 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.444 -0.092 7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.927 -1.201 8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.832 -2.476 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.487 -0.852 7.247 1.00 0.00 H new ATOM 368 N ARG A 25 9.546 0.146 7.455 1.00 0.00 N ATOM 369 CA ARG A 25 8.503 0.837 8.193 1.00 0.00 C ATOM 370 C ARG A 25 7.438 -0.157 8.647 1.00 0.00 C ATOM 371 O ARG A 25 7.756 -1.262 9.091 1.00 0.00 O ATOM 372 CB ARG A 25 7.869 1.921 7.323 1.00 0.00 C ATOM 373 CG ARG A 25 8.457 3.304 7.536 1.00 0.00 C ATOM 374 CD ARG A 25 7.962 4.279 6.479 1.00 0.00 C ATOM 375 NE ARG A 25 8.735 4.194 5.248 1.00 0.00 N ATOM 376 CZ ARG A 25 9.420 5.210 4.725 1.00 0.00 C ATOM 377 NH1 ARG A 25 9.445 6.388 5.339 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.068 5.042 3.584 1.00 0.00 N ATOM 0 H ARG A 25 9.379 0.076 6.451 1.00 0.00 H new ATOM 0 HA ARG A 25 8.947 1.307 9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.985 1.645 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.799 1.957 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.186 3.669 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.545 3.249 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.913 4.076 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.016 5.295 6.870 1.00 0.00 H new ATOM 0 HE ARG A 25 8.753 3.301 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.938 6.518 6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.971 7.163 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.041 4.139 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.594 5.815 3.178 1.00 0.00 H new ATOM 392 N HIS A 26 6.178 0.230 8.522 1.00 0.00 N ATOM 393 CA HIS A 26 5.071 -0.641 8.884 1.00 0.00 C ATOM 394 C HIS A 26 4.486 -1.271 7.630 1.00 0.00 C ATOM 395 O HIS A 26 3.760 -0.616 6.880 1.00 0.00 O ATOM 396 CB HIS A 26 3.987 0.141 9.635 1.00 0.00 C ATOM 397 CG HIS A 26 4.436 0.667 10.960 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.868 -0.171 11.956 1.00 0.00 N ATOM 399 CD2 HIS A 26 4.493 1.943 11.400 1.00 0.00 C ATOM 400 CE1 HIS A 26 5.184 0.611 12.974 1.00 0.00 C ATOM 401 NE2 HIS A 26 4.974 1.902 12.684 1.00 0.00 N ATOM 0 H HIS A 26 5.896 1.145 8.171 1.00 0.00 H new ATOM 0 HA HIS A 26 5.444 -1.425 9.543 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.658 0.975 9.015 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.122 -0.506 9.785 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.213 2.827 10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.564 0.254 13.920 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.140 2.699 13.298 1.00 0.00 H new ATOM 409 N PHE A 27 4.811 -2.530 7.400 1.00 0.00 N ATOM 410 CA PHE A 27 4.364 -3.217 6.201 1.00 0.00 C ATOM 411 C PHE A 27 2.923 -3.666 6.370 1.00 0.00 C ATOM 412 O PHE A 27 2.633 -4.625 7.087 1.00 0.00 O ATOM 413 CB PHE A 27 5.274 -4.403 5.889 1.00 0.00 C ATOM 414 CG PHE A 27 6.561 -3.995 5.229 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.573 -3.397 5.965 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.757 -4.201 3.872 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.754 -3.016 5.361 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.937 -3.822 3.264 1.00 0.00 C ATOM 419 CZ PHE A 27 8.936 -3.227 4.009 1.00 0.00 C ATOM 0 H PHE A 27 5.382 -3.097 8.026 1.00 0.00 H new ATOM 0 HA PHE A 27 4.416 -2.528 5.358 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.498 -4.935 6.813 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.744 -5.100 5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.435 -3.228 7.023 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.978 -4.663 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.535 -2.553 5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.079 -3.991 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.859 -2.927 3.534 1.00 0.00 H new ATOM 429 N TYR A 28 2.031 -2.964 5.699 1.00 0.00 N ATOM 430 CA TYR A 28 0.603 -3.144 5.885 1.00 0.00 C ATOM 431 C TYR A 28 0.079 -4.361 5.138 1.00 0.00 C ATOM 432 O TYR A 28 0.648 -4.788 4.126 1.00 0.00 O ATOM 433 CB TYR A 28 -0.147 -1.907 5.393 1.00 0.00 C ATOM 434 CG TYR A 28 -0.038 -0.706 6.303 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.142 -0.852 7.673 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.130 0.578 5.788 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.228 0.250 8.501 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.047 1.684 6.608 1.00 0.00 C ATOM 439 CZ TYR A 28 0.134 1.516 7.963 1.00 0.00 C ATOM 440 OH TYR A 28 0.213 2.618 8.782 1.00 0.00 O ATOM 0 H TYR A 28 2.275 -2.253 5.010 1.00 0.00 H new ATOM 0 HA TYR A 28 0.435 -3.295 6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.232 -1.636 4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.200 -2.161 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.216 -1.843 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.269 0.715 4.726 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.368 0.121 9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.124 2.677 6.190 1.00 0.00 H new ATOM 0 HH TYR A 28 0.886 3.238 8.432 1.00 0.00 H new ATOM 450 N ARG A 29 -1.002 -4.916 5.660 1.00 0.00 N ATOM 451 CA ARG A 29 -1.760 -5.933 4.959 1.00 0.00 C ATOM 452 C ARG A 29 -2.932 -5.253 4.264 1.00 0.00 C ATOM 453 O ARG A 29 -3.526 -4.334 4.825 1.00 0.00 O ATOM 454 CB ARG A 29 -2.271 -7.004 5.930 1.00 0.00 C ATOM 455 CG ARG A 29 -1.850 -8.423 5.568 1.00 0.00 C ATOM 456 CD ARG A 29 -2.259 -8.791 4.148 1.00 0.00 C ATOM 457 NE ARG A 29 -2.837 -10.134 4.064 1.00 0.00 N ATOM 458 CZ ARG A 29 -2.128 -11.249 3.874 1.00 0.00 C ATOM 459 NH1 ARG A 29 -0.805 -11.199 3.797 1.00 0.00 N ATOM 460 NH2 ARG A 29 -2.748 -12.419 3.773 1.00 0.00 N ATOM 0 H ARG A 29 -1.376 -4.674 6.578 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.120 -6.430 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.909 -6.773 6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.359 -6.957 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.769 -8.519 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.300 -9.126 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.983 -8.063 3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.388 -8.732 3.495 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.849 -10.223 4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.323 -10.304 3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.270 -12.055 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.765 -12.465 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.207 -13.272 3.628 1.00 0.00 H new ATOM 474 N ILE A 30 -3.237 -5.680 3.048 1.00 0.00 N ATOM 475 CA ILE A 30 -4.317 -5.075 2.273 1.00 0.00 C ATOM 476 C ILE A 30 -5.671 -5.292 2.952 1.00 0.00 C ATOM 477 O ILE A 30 -6.145 -6.426 3.060 1.00 0.00 O ATOM 478 CB ILE A 30 -4.356 -5.643 0.835 1.00 0.00 C ATOM 479 CG1 ILE A 30 -3.063 -5.293 0.090 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.566 -5.112 0.073 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.154 -6.480 -0.145 1.00 0.00 C ATOM 0 H ILE A 30 -2.754 -6.443 2.574 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.119 -4.004 2.221 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.443 -6.728 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.318 -4.846 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.520 -4.538 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.571 -5.526 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.479 -5.406 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.513 -4.025 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.260 -6.154 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.868 -6.915 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.678 -7.227 -0.740 1.00 0.00 H new ATOM 493 N PRO A 31 -6.289 -4.196 3.439 1.00 0.00 N ATOM 494 CA PRO A 31 -7.612 -4.226 4.078 1.00 0.00 C ATOM 495 C PRO A 31 -8.671 -4.866 3.187 1.00 0.00 C ATOM 496 O PRO A 31 -9.116 -4.274 2.207 1.00 0.00 O ATOM 497 CB PRO A 31 -7.924 -2.742 4.305 1.00 0.00 C ATOM 498 CG PRO A 31 -6.589 -2.099 4.403 1.00 0.00 C ATOM 499 CD PRO A 31 -5.731 -2.834 3.419 1.00 0.00 C ATOM 0 HA PRO A 31 -7.614 -4.822 4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.506 -2.327 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.506 -2.592 5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.644 -1.037 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.187 -2.177 5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.787 -2.390 2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.682 -2.824 3.713 1.00 0.00 H new ATOM 507 N LYS A 32 -9.083 -6.072 3.550 1.00 0.00 N ATOM 508 CA LYS A 32 -10.032 -6.839 2.754 1.00 0.00 C ATOM 509 C LYS A 32 -11.469 -6.493 3.135 1.00 0.00 C ATOM 510 O LYS A 32 -12.418 -7.150 2.709 1.00 0.00 O ATOM 511 CB LYS A 32 -9.772 -8.336 2.948 1.00 0.00 C ATOM 512 CG LYS A 32 -10.182 -9.198 1.768 1.00 0.00 C ATOM 513 CD LYS A 32 -9.705 -10.632 1.943 1.00 0.00 C ATOM 514 CE LYS A 32 -10.444 -11.337 3.070 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.799 -11.788 2.655 1.00 0.00 N ATOM 0 H LYS A 32 -8.772 -6.545 4.399 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.895 -6.584 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.710 -8.487 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.309 -8.674 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.267 -9.183 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.767 -8.783 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.852 -11.180 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.635 -10.637 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.862 -12.197 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.532 -10.663 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.266 -12.263 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.364 -10.965 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.715 -12.451 1.858 1.00 0.00 H new ATOM 529 N ARG A 33 -11.616 -5.445 3.926 1.00 0.00 N ATOM 530 CA ARG A 33 -12.921 -5.015 4.406 1.00 0.00 C ATOM 531 C ARG A 33 -12.997 -3.492 4.452 1.00 0.00 C ATOM 532 O ARG A 33 -12.255 -2.851 5.206 1.00 0.00 O ATOM 533 CB ARG A 33 -13.195 -5.597 5.795 1.00 0.00 C ATOM 534 CG ARG A 33 -14.069 -6.841 5.772 1.00 0.00 C ATOM 535 CD ARG A 33 -13.287 -8.078 6.185 1.00 0.00 C ATOM 536 NE ARG A 33 -13.837 -8.701 7.390 1.00 0.00 N ATOM 537 CZ ARG A 33 -13.196 -9.621 8.115 1.00 0.00 C ATOM 538 NH1 ARG A 33 -11.975 -10.013 7.774 1.00 0.00 N ATOM 539 NH2 ARG A 33 -13.782 -10.149 9.184 1.00 0.00 N ATOM 0 H ARG A 33 -10.840 -4.870 4.253 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.680 -5.382 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.245 -5.839 6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.676 -4.836 6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.917 -6.704 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.475 -6.983 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.294 -8.800 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.246 -7.806 6.361 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.767 -8.415 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.521 -9.611 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.491 -10.716 8.332 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.721 -9.852 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.293 -10.852 9.739 1.00 0.00 H new ATOM 553 N PRO A 34 -13.881 -2.888 3.640 1.00 0.00 N ATOM 554 CA PRO A 34 -14.743 -3.619 2.703 1.00 0.00 C ATOM 555 C PRO A 34 -14.009 -4.037 1.425 1.00 0.00 C ATOM 556 O PRO A 34 -12.876 -3.620 1.180 1.00 0.00 O ATOM 557 CB PRO A 34 -15.840 -2.607 2.386 1.00 0.00 C ATOM 558 CG PRO A 34 -15.179 -1.278 2.525 1.00 0.00 C ATOM 559 CD PRO A 34 -14.123 -1.435 3.589 1.00 0.00 C ATOM 0 HA PRO A 34 -15.109 -4.554 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.233 -2.751 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.680 -2.705 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.734 -0.965 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.902 -0.512 2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.215 -0.888 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.466 -1.053 4.551 1.00 0.00 H new ATOM 567 N LEU A 35 -14.675 -4.845 0.604 1.00 0.00 N ATOM 568 CA LEU A 35 -14.063 -5.405 -0.596 1.00 0.00 C ATOM 569 C LEU A 35 -13.771 -4.326 -1.635 1.00 0.00 C ATOM 570 O LEU A 35 -12.734 -4.359 -2.297 1.00 0.00 O ATOM 571 CB LEU A 35 -14.970 -6.477 -1.206 1.00 0.00 C ATOM 572 CG LEU A 35 -14.243 -7.593 -1.956 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.498 -8.934 -1.285 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.684 -7.629 -3.412 1.00 0.00 C ATOM 0 H LEU A 35 -15.644 -5.127 0.750 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.116 -5.856 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.565 -6.924 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.667 -5.994 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.172 -7.392 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.974 -9.719 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.135 -8.902 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.568 -9.144 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.157 -8.429 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.758 -7.809 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.453 -6.675 -3.886 1.00 0.00 H new ATOM 586 N ILE A 36 -14.682 -3.369 -1.776 1.00 0.00 N ATOM 587 CA ILE A 36 -14.519 -2.308 -2.769 1.00 0.00 C ATOM 588 C ILE A 36 -13.329 -1.413 -2.422 1.00 0.00 C ATOM 589 O ILE A 36 -12.602 -0.961 -3.307 1.00 0.00 O ATOM 590 CB ILE A 36 -15.816 -1.469 -2.919 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.828 -2.218 -3.793 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.529 -0.091 -3.511 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.205 -2.909 -4.990 1.00 0.00 C ATOM 0 H ILE A 36 -15.535 -3.304 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.319 -2.783 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.236 -1.322 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.342 -2.961 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.583 -1.514 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.461 0.468 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.843 0.450 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.078 -0.205 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.981 -3.418 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.715 -2.169 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.470 -3.638 -4.648 1.00 0.00 H new ATOM 605 N LEU A 37 -13.119 -1.188 -1.131 1.00 0.00 N ATOM 606 CA LEU A 37 -11.969 -0.423 -0.673 1.00 0.00 C ATOM 607 C LEU A 37 -10.679 -1.136 -1.069 1.00 0.00 C ATOM 608 O LEU A 37 -9.731 -0.512 -1.546 1.00 0.00 O ATOM 609 CB LEU A 37 -12.028 -0.229 0.846 1.00 0.00 C ATOM 610 CG LEU A 37 -10.684 0.038 1.522 1.00 0.00 C ATOM 611 CD1 LEU A 37 -10.624 1.457 2.055 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.447 -0.959 2.640 1.00 0.00 C ATOM 0 H LEU A 37 -13.729 -1.524 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.988 0.559 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.697 0.603 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.470 -1.119 1.293 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.896 -0.081 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.659 1.626 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.750 2.160 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.420 1.606 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.486 -0.755 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.241 -0.870 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.444 -1.970 2.232 1.00 0.00 H new ATOM 624 N ARG A 38 -10.666 -2.453 -0.889 1.00 0.00 N ATOM 625 CA ARG A 38 -9.518 -3.262 -1.268 1.00 0.00 C ATOM 626 C ARG A 38 -9.337 -3.248 -2.782 1.00 0.00 C ATOM 627 O ARG A 38 -8.216 -3.218 -3.273 1.00 0.00 O ATOM 628 CB ARG A 38 -9.673 -4.695 -0.734 1.00 0.00 C ATOM 629 CG ARG A 38 -9.630 -5.791 -1.789 1.00 0.00 C ATOM 630 CD ARG A 38 -9.946 -7.138 -1.168 1.00 0.00 C ATOM 631 NE ARG A 38 -10.214 -8.171 -2.169 1.00 0.00 N ATOM 632 CZ ARG A 38 -9.617 -9.364 -2.190 1.00 0.00 C ATOM 633 NH1 ARG A 38 -8.641 -9.652 -1.337 1.00 0.00 N ATOM 634 NH2 ARG A 38 -9.983 -10.259 -3.086 1.00 0.00 N ATOM 0 H ARG A 38 -11.439 -2.981 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.621 -2.835 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.882 -4.882 -0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.620 -4.765 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.347 -5.571 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.644 -5.820 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.109 -7.451 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.812 -7.038 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.900 -7.966 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.339 -8.957 -0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.194 -10.568 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.718 -10.037 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.531 -11.173 -3.108 1.00 0.00 H new ATOM 648 N GLN A 39 -10.448 -3.236 -3.514 1.00 0.00 N ATOM 649 CA GLN A 39 -10.408 -3.185 -4.972 1.00 0.00 C ATOM 650 C GLN A 39 -9.653 -1.944 -5.445 1.00 0.00 C ATOM 651 O GLN A 39 -8.896 -1.995 -6.417 1.00 0.00 O ATOM 652 CB GLN A 39 -11.832 -3.185 -5.537 1.00 0.00 C ATOM 653 CG GLN A 39 -12.026 -4.123 -6.717 1.00 0.00 C ATOM 654 CD GLN A 39 -11.505 -5.523 -6.450 1.00 0.00 C ATOM 655 OE1 GLN A 39 -10.463 -5.917 -6.968 1.00 0.00 O ATOM 656 NE2 GLN A 39 -12.233 -6.287 -5.650 1.00 0.00 N ATOM 0 H GLN A 39 -11.389 -3.261 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.883 -4.068 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.527 -3.465 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.090 -2.172 -5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.087 -4.176 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.518 -3.712 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.093 -5.922 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.934 -7.240 -5.444 1.00 0.00 H new ATOM 665 N ARG A 40 -9.846 -0.836 -4.738 1.00 0.00 N ATOM 666 CA ARG A 40 -9.167 0.412 -5.066 1.00 0.00 C ATOM 667 C ARG A 40 -7.724 0.385 -4.571 1.00 0.00 C ATOM 668 O ARG A 40 -6.845 1.014 -5.157 1.00 0.00 O ATOM 669 CB ARG A 40 -9.906 1.601 -4.453 1.00 0.00 C ATOM 670 CG ARG A 40 -11.234 1.902 -5.120 1.00 0.00 C ATOM 671 CD ARG A 40 -11.079 2.905 -6.253 1.00 0.00 C ATOM 672 NE ARG A 40 -12.252 3.767 -6.382 1.00 0.00 N ATOM 673 CZ ARG A 40 -12.226 5.092 -6.239 1.00 0.00 C ATOM 674 NH1 ARG A 40 -11.068 5.721 -6.059 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.351 5.795 -6.321 1.00 0.00 N ATOM 0 H ARG A 40 -10.469 -0.777 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.163 0.521 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.077 1.405 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.270 2.484 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.664 0.979 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.933 2.293 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.195 3.518 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.915 2.372 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.147 3.327 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.198 5.189 -6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.050 6.735 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.237 5.321 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.328 6.809 -6.211 1.00 0.00 H new ATOM 689 N TRP A 41 -7.489 -0.357 -3.494 1.00 0.00 N ATOM 690 CA TRP A 41 -6.150 -0.509 -2.923 1.00 0.00 C ATOM 691 C TRP A 41 -5.188 -1.110 -3.942 1.00 0.00 C ATOM 692 O TRP A 41 -3.998 -0.798 -3.956 1.00 0.00 O ATOM 693 CB TRP A 41 -6.214 -1.403 -1.680 1.00 0.00 C ATOM 694 CG TRP A 41 -6.019 -0.652 -0.401 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.831 0.314 0.117 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.935 -0.805 0.522 1.00 0.00 C ATOM 697 NE1 TRP A 41 -6.313 0.777 1.301 1.00 0.00 N ATOM 698 CE2 TRP A 41 -5.152 0.106 1.571 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.798 -1.619 0.562 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -4.279 0.224 2.646 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.932 -1.501 1.631 1.00 0.00 C ATOM 702 CH2 TRP A 41 -3.177 -0.586 2.660 1.00 0.00 C ATOM 0 H TRP A 41 -8.215 -0.869 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.782 0.478 -2.644 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.180 -1.908 -1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.451 -2.178 -1.758 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.746 0.663 -0.337 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.727 1.504 1.885 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.601 -2.327 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.464 0.930 3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.052 -2.125 1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.481 -0.518 3.483 1.00 0.00 H new ATOM 713 N LEU A 42 -5.721 -1.962 -4.802 1.00 0.00 N ATOM 714 CA LEU A 42 -4.922 -2.662 -5.797 1.00 0.00 C ATOM 715 C LEU A 42 -4.652 -1.784 -7.016 1.00 0.00 C ATOM 716 O LEU A 42 -3.773 -2.088 -7.824 1.00 0.00 O ATOM 717 CB LEU A 42 -5.620 -3.952 -6.234 1.00 0.00 C ATOM 718 CG LEU A 42 -6.539 -4.592 -5.194 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.279 -5.779 -5.792 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.748 -5.020 -3.969 1.00 0.00 C ATOM 0 H LEU A 42 -6.715 -2.188 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.966 -2.908 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.205 -3.742 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.858 -4.679 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.274 -3.848 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.928 -6.221 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.881 -5.444 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.559 -6.523 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.421 -5.473 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.989 -5.745 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.266 -4.149 -3.525 1.00 0.00 H new ATOM 732 N THR A 43 -5.425 -0.712 -7.145 1.00 0.00 N ATOM 733 CA THR A 43 -5.354 0.182 -8.298 1.00 0.00 C ATOM 734 C THR A 43 -3.927 0.674 -8.570 1.00 0.00 C ATOM 735 O THR A 43 -3.459 0.627 -9.708 1.00 0.00 O ATOM 736 CB THR A 43 -6.312 1.383 -8.100 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.635 1.003 -8.497 1.00 0.00 O ATOM 738 CG2 THR A 43 -5.877 2.614 -8.893 1.00 0.00 C ATOM 0 H THR A 43 -6.121 -0.436 -6.452 1.00 0.00 H new ATOM 0 HA THR A 43 -5.665 -0.390 -9.172 1.00 0.00 H new ATOM 0 HB THR A 43 -6.289 1.651 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.244 1.760 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.582 3.427 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.882 2.922 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.856 2.373 -9.956 1.00 0.00 H new ATOM 746 N ALA A 44 -3.230 1.117 -7.533 1.00 0.00 N ATOM 747 CA ALA A 44 -1.901 1.692 -7.709 1.00 0.00 C ATOM 748 C ALA A 44 -0.841 0.616 -7.932 1.00 0.00 C ATOM 749 O ALA A 44 0.180 0.861 -8.573 1.00 0.00 O ATOM 750 CB ALA A 44 -1.539 2.561 -6.520 1.00 0.00 C ATOM 0 H ALA A 44 -3.558 1.091 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.927 2.313 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.545 2.983 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.265 3.368 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.547 1.957 -5.612 1.00 0.00 H new ATOM 756 N ILE A 45 -1.096 -0.580 -7.414 1.00 0.00 N ATOM 757 CA ILE A 45 -0.163 -1.691 -7.562 1.00 0.00 C ATOM 758 C ILE A 45 -0.378 -2.400 -8.890 1.00 0.00 C ATOM 759 O ILE A 45 0.446 -3.212 -9.311 1.00 0.00 O ATOM 760 CB ILE A 45 -0.302 -2.736 -6.432 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.433 -2.355 -5.472 1.00 0.00 C ATOM 762 CG2 ILE A 45 1.014 -2.883 -5.687 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.465 -3.170 -4.194 1.00 0.00 C ATOM 0 H ILE A 45 -1.940 -0.805 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 45 0.835 -1.255 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.555 -3.697 -6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.336 -1.300 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.386 -2.471 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.902 -3.622 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.790 -3.209 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.295 -1.924 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.295 -2.837 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.595 -4.224 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.528 -3.036 -3.653 1.00 0.00 H new ATOM 775 N GLY A 46 -1.493 -2.089 -9.541 1.00 0.00 N ATOM 776 CA GLY A 46 -1.864 -2.785 -10.753 1.00 0.00 C ATOM 777 C GLY A 46 -2.116 -4.251 -10.486 1.00 0.00 C ATOM 778 O GLY A 46 -1.662 -5.120 -11.231 1.00 0.00 O ATOM 0 H GLY A 46 -2.147 -1.364 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.760 -2.331 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.072 -2.679 -11.494 1.00 0.00 H new ATOM 782 N ARG A 47 -2.818 -4.527 -9.395 1.00 0.00 N ATOM 783 CA ARG A 47 -3.083 -5.897 -8.985 1.00 0.00 C ATOM 784 C ARG A 47 -4.575 -6.186 -8.961 1.00 0.00 C ATOM 785 O ARG A 47 -5.395 -5.269 -8.955 1.00 0.00 O ATOM 786 CB ARG A 47 -2.494 -6.155 -7.594 1.00 0.00 C ATOM 787 CG ARG A 47 -0.983 -6.045 -7.535 1.00 0.00 C ATOM 788 CD ARG A 47 -0.322 -7.223 -8.219 1.00 0.00 C ATOM 789 NE ARG A 47 -0.120 -6.974 -9.645 1.00 0.00 N ATOM 790 CZ ARG A 47 0.732 -7.648 -10.408 1.00 0.00 C ATOM 791 NH1 ARG A 47 1.515 -8.576 -9.879 1.00 0.00 N ATOM 792 NH2 ARG A 47 0.807 -7.377 -11.704 1.00 0.00 N ATOM 0 H ARG A 47 -3.214 -3.818 -8.778 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.612 -6.559 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.928 -5.445 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.789 -7.151 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.664 -5.118 -8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.659 -5.996 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.638 -7.427 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.938 -8.113 -8.088 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.669 -6.234 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.465 -8.776 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.168 -9.090 -10.471 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.212 -6.654 -12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.460 -7.891 -12.296 1.00 0.00 H new ATOM 806 N THR A 48 -4.914 -7.461 -8.974 1.00 0.00 N ATOM 807 CA THR A 48 -6.276 -7.899 -8.750 1.00 0.00 C ATOM 808 C THR A 48 -6.314 -8.841 -7.551 1.00 0.00 C ATOM 809 O THR A 48 -5.300 -9.033 -6.886 1.00 0.00 O ATOM 810 CB THR A 48 -6.868 -8.595 -9.989 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.982 -8.447 -11.106 1.00 0.00 O ATOM 812 CG2 THR A 48 -8.229 -8.010 -10.336 1.00 0.00 C ATOM 0 H THR A 48 -4.253 -8.220 -9.140 1.00 0.00 H new ATOM 0 HA THR A 48 -6.886 -7.018 -8.551 1.00 0.00 H new ATOM 0 HB THR A 48 -6.990 -9.654 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.366 -8.894 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.629 -8.516 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.909 -8.148 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.125 -6.946 -10.547 1.00 0.00 H new ATOM 820 N GLU A 49 -7.468 -9.431 -7.297 1.00 0.00 N ATOM 821 CA GLU A 49 -7.696 -10.236 -6.094 1.00 0.00 C ATOM 822 C GLU A 49 -6.688 -11.374 -5.966 1.00 0.00 C ATOM 823 O GLU A 49 -6.076 -11.555 -4.913 1.00 0.00 O ATOM 824 CB GLU A 49 -9.115 -10.801 -6.118 1.00 0.00 C ATOM 825 CG GLU A 49 -10.150 -9.822 -6.658 1.00 0.00 C ATOM 826 CD GLU A 49 -11.419 -9.809 -5.834 1.00 0.00 C ATOM 827 OE1 GLU A 49 -12.297 -10.658 -6.079 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.534 -8.962 -4.922 1.00 0.00 O ATOM 0 H GLU A 49 -8.278 -9.370 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.567 -9.585 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.128 -11.704 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.398 -11.095 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.722 -8.820 -6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.392 -10.085 -7.688 1.00 0.00 H new ATOM 835 N GLU A 50 -6.505 -12.125 -7.038 1.00 0.00 N ATOM 836 CA GLU A 50 -5.622 -13.287 -7.015 1.00 0.00 C ATOM 837 C GLU A 50 -4.163 -12.871 -7.171 1.00 0.00 C ATOM 838 O GLU A 50 -3.252 -13.616 -6.811 1.00 0.00 O ATOM 839 CB GLU A 50 -6.005 -14.269 -8.127 1.00 0.00 C ATOM 840 CG GLU A 50 -7.460 -14.168 -8.559 1.00 0.00 C ATOM 841 CD GLU A 50 -7.651 -13.248 -9.746 1.00 0.00 C ATOM 842 OE1 GLU A 50 -7.633 -12.012 -9.559 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.816 -13.755 -10.873 1.00 0.00 O ATOM 0 H GLU A 50 -6.955 -11.954 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.738 -13.777 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.366 -14.092 -8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.806 -15.285 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.831 -15.162 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.059 -13.806 -7.723 1.00 0.00 H new ATOM 850 N THR A 51 -3.952 -11.676 -7.696 1.00 0.00 N ATOM 851 CA THR A 51 -2.611 -11.174 -7.958 1.00 0.00 C ATOM 852 C THR A 51 -2.063 -10.387 -6.768 1.00 0.00 C ATOM 853 O THR A 51 -0.890 -10.018 -6.736 1.00 0.00 O ATOM 854 CB THR A 51 -2.626 -10.268 -9.196 1.00 0.00 C ATOM 855 OG1 THR A 51 -3.959 -10.195 -9.717 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.695 -10.796 -10.270 1.00 0.00 C ATOM 0 H THR A 51 -4.698 -11.029 -7.952 1.00 0.00 H new ATOM 0 HA THR A 51 -1.964 -12.034 -8.130 1.00 0.00 H new ATOM 0 HB THR A 51 -2.284 -9.276 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.970 -9.615 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.726 -10.134 -11.136 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.678 -10.838 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.011 -11.796 -10.566 1.00 0.00 H new ATOM 864 N VAL A 52 -2.923 -10.131 -5.800 1.00 0.00 N ATOM 865 CA VAL A 52 -2.562 -9.335 -4.641 1.00 0.00 C ATOM 866 C VAL A 52 -2.835 -10.116 -3.360 1.00 0.00 C ATOM 867 O VAL A 52 -3.345 -11.235 -3.414 1.00 0.00 O ATOM 868 CB VAL A 52 -3.363 -8.007 -4.622 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.720 -8.194 -3.957 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.574 -6.897 -3.937 1.00 0.00 C ATOM 0 H VAL A 52 -3.886 -10.467 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.498 -9.105 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.532 -7.710 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.259 -7.247 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.295 -8.939 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.579 -8.530 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.161 -5.979 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.357 -7.186 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.639 -6.731 -4.473 1.00 0.00 H new ATOM 880 N VAL A 53 -2.445 -9.527 -2.229 1.00 0.00 N ATOM 881 CA VAL A 53 -2.820 -9.996 -0.892 1.00 0.00 C ATOM 882 C VAL A 53 -2.349 -11.428 -0.590 1.00 0.00 C ATOM 883 O VAL A 53 -2.725 -12.011 0.426 1.00 0.00 O ATOM 884 CB VAL A 53 -4.354 -9.833 -0.643 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.169 -11.027 -1.135 1.00 0.00 C ATOM 886 CG2 VAL A 53 -4.630 -9.567 0.831 1.00 0.00 C ATOM 0 H VAL A 53 -1.851 -8.698 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.289 -9.355 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.676 -8.973 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.226 -10.854 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.020 -11.152 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.844 -11.928 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.703 -9.456 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.262 -10.402 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.123 -8.652 1.137 1.00 0.00 H new ATOM 896 N SER A 54 -1.493 -11.972 -1.444 1.00 0.00 N ATOM 897 CA SER A 54 -0.935 -13.296 -1.214 1.00 0.00 C ATOM 898 C SER A 54 0.453 -13.185 -0.580 1.00 0.00 C ATOM 899 O SER A 54 0.669 -13.622 0.549 1.00 0.00 O ATOM 900 CB SER A 54 -0.868 -14.065 -2.535 1.00 0.00 C ATOM 901 OG SER A 54 -1.366 -13.273 -3.605 1.00 0.00 O ATOM 0 H SER A 54 -1.171 -11.518 -2.299 1.00 0.00 H new ATOM 0 HA SER A 54 -1.580 -13.841 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.162 -14.355 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.448 -14.984 -2.456 1.00 0.00 H new ATOM 0 HG SER A 54 -1.313 -13.782 -4.441 1.00 0.00 H new ATOM 907 N GLN A 55 1.381 -12.575 -1.305 1.00 0.00 N ATOM 908 CA GLN A 55 2.740 -12.376 -0.817 1.00 0.00 C ATOM 909 C GLN A 55 3.034 -10.887 -0.681 1.00 0.00 C ATOM 910 O GLN A 55 4.038 -10.483 -0.090 1.00 0.00 O ATOM 911 CB GLN A 55 3.742 -13.013 -1.785 1.00 0.00 C ATOM 912 CG GLN A 55 4.864 -13.776 -1.102 1.00 0.00 C ATOM 913 CD GLN A 55 6.113 -12.940 -0.896 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.674 -12.911 0.199 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.562 -12.263 -1.941 1.00 0.00 N ATOM 0 H GLN A 55 1.215 -12.206 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 55 2.835 -12.849 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.208 -13.692 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.176 -12.231 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.513 -14.138 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.115 -14.653 -1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.068 -12.314 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.402 -11.691 -1.855 1.00 0.00 H new ATOM 924 N LEU A 56 2.141 -10.075 -1.226 1.00 0.00 N ATOM 925 CA LEU A 56 2.361 -8.638 -1.301 1.00 0.00 C ATOM 926 C LEU A 56 2.055 -7.938 0.020 1.00 0.00 C ATOM 927 O LEU A 56 0.968 -8.081 0.580 1.00 0.00 O ATOM 928 CB LEU A 56 1.512 -8.023 -2.408 1.00 0.00 C ATOM 929 CG LEU A 56 1.571 -8.725 -3.769 1.00 0.00 C ATOM 930 CD1 LEU A 56 0.922 -7.856 -4.835 1.00 0.00 C ATOM 931 CD2 LEU A 56 3.008 -9.054 -4.154 1.00 0.00 C ATOM 0 H LEU A 56 1.255 -10.387 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 56 3.418 -8.492 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.474 -8.005 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.821 -6.986 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 56 1.020 -9.663 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.970 -8.365 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.120 -7.675 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.451 -6.905 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.020 -9.551 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.589 -8.134 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.444 -9.713 -3.403 1.00 0.00 H new ATOM 943 N ARG A 57 3.029 -7.185 0.504 1.00 0.00 N ATOM 944 CA ARG A 57 2.845 -6.312 1.654 1.00 0.00 C ATOM 945 C ARG A 57 3.199 -4.898 1.230 1.00 0.00 C ATOM 946 O ARG A 57 4.087 -4.708 0.403 1.00 0.00 O ATOM 947 CB ARG A 57 3.718 -6.756 2.834 1.00 0.00 C ATOM 948 CG ARG A 57 3.300 -8.092 3.434 1.00 0.00 C ATOM 949 CD ARG A 57 2.083 -7.954 4.338 1.00 0.00 C ATOM 950 NE ARG A 57 2.400 -7.294 5.603 1.00 0.00 N ATOM 951 CZ ARG A 57 2.931 -7.912 6.663 1.00 0.00 C ATOM 952 NH1 ARG A 57 3.191 -9.214 6.624 1.00 0.00 N ATOM 953 NH2 ARG A 57 3.195 -7.220 7.762 1.00 0.00 N ATOM 0 H ARG A 57 3.970 -7.161 0.111 1.00 0.00 H new ATOM 0 HA ARG A 57 1.809 -6.359 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.754 -6.824 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.681 -5.991 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.078 -8.796 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.130 -8.509 4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.311 -7.386 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.670 -8.942 4.540 1.00 0.00 H new ATOM 0 HE ARG A 57 2.203 -6.296 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.986 -9.750 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.596 -9.678 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.993 -6.221 7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.600 -7.687 8.574 1.00 0.00 H new ATOM 967 N ILE A 58 2.502 -3.912 1.759 1.00 0.00 N ATOM 968 CA ILE A 58 2.693 -2.546 1.298 1.00 0.00 C ATOM 969 C ILE A 58 3.299 -1.660 2.378 1.00 0.00 C ATOM 970 O ILE A 58 2.780 -1.574 3.491 1.00 0.00 O ATOM 971 CB ILE A 58 1.372 -1.923 0.798 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.655 -2.867 -0.178 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.644 -0.583 0.139 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.426 -3.139 -1.455 1.00 0.00 C ATOM 0 H ILE A 58 1.808 -4.025 2.498 1.00 0.00 H new ATOM 0 HA ILE A 58 3.393 -2.601 0.464 1.00 0.00 H new ATOM 0 HB ILE A 58 0.718 -1.767 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.461 -3.814 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.314 -2.439 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.706 -0.152 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.106 0.090 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.316 -0.724 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.852 -3.814 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.597 -2.201 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.384 -3.598 -1.211 1.00 0.00 H new ATOM 986 N CYS A 59 4.416 -1.025 2.035 1.00 0.00 N ATOM 987 CA CYS A 59 5.075 -0.062 2.904 1.00 0.00 C ATOM 988 C CYS A 59 4.150 1.094 3.284 1.00 0.00 C ATOM 989 O CYS A 59 3.277 1.491 2.509 1.00 0.00 O ATOM 990 CB CYS A 59 6.307 0.490 2.193 1.00 0.00 C ATOM 991 SG CYS A 59 7.207 -0.755 1.211 1.00 0.00 S ATOM 0 H CYS A 59 4.889 -1.166 1.143 1.00 0.00 H new ATOM 0 HA CYS A 59 5.358 -0.576 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.002 1.306 1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.984 0.913 2.935 1.00 0.00 H new ATOM 996 N SER A 60 4.374 1.653 4.467 1.00 0.00 N ATOM 997 CA SER A 60 3.607 2.797 4.936 1.00 0.00 C ATOM 998 C SER A 60 4.112 4.077 4.280 1.00 0.00 C ATOM 999 O SER A 60 3.552 5.159 4.467 1.00 0.00 O ATOM 1000 CB SER A 60 3.717 2.902 6.451 1.00 0.00 C ATOM 1001 OG SER A 60 4.596 1.913 6.951 1.00 0.00 O ATOM 0 H SER A 60 5.086 1.329 5.122 1.00 0.00 H new ATOM 0 HA SER A 60 2.561 2.659 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.078 3.892 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.732 2.784 6.903 1.00 0.00 H new ATOM 0 HG SER A 60 4.169 1.033 6.886 1.00 0.00 H new ATOM 1007 N ALA A 61 5.184 3.939 3.510 1.00 0.00 N ATOM 1008 CA ALA A 61 5.741 5.046 2.751 1.00 0.00 C ATOM 1009 C ALA A 61 4.818 5.419 1.603 1.00 0.00 C ATOM 1010 O ALA A 61 4.888 6.519 1.058 1.00 0.00 O ATOM 1011 CB ALA A 61 7.106 4.668 2.218 1.00 0.00 C ATOM 0 H ALA A 61 5.688 3.060 3.396 1.00 0.00 H new ATOM 0 HA ALA A 61 5.841 5.908 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.518 5.502 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.769 4.433 3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.015 3.797 1.569 1.00 0.00 H new ATOM 1017 N HIS A 62 3.934 4.493 1.263 1.00 0.00 N ATOM 1018 CA HIS A 62 3.022 4.662 0.143 1.00 0.00 C ATOM 1019 C HIS A 62 1.749 5.388 0.581 1.00 0.00 C ATOM 1020 O HIS A 62 0.731 5.355 -0.107 1.00 0.00 O ATOM 1021 CB HIS A 62 2.683 3.290 -0.446 1.00 0.00 C ATOM 1022 CG HIS A 62 3.880 2.560 -0.980 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.529 2.902 -2.155 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.565 1.496 -0.470 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.564 2.057 -2.314 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.616 1.200 -1.322 1.00 0.00 N ATOM 0 H HIS A 62 3.829 3.606 1.755 1.00 0.00 H new ATOM 0 HA HIS A 62 3.506 5.272 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.207 2.680 0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.956 3.416 -1.248 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.269 3.659 -2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.328 0.973 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.256 2.081 -3.143 1.00 0.00 H new ATOM 1034 N PHE A 63 1.825 6.045 1.733 1.00 0.00 N ATOM 1035 CA PHE A 63 0.684 6.760 2.290 1.00 0.00 C ATOM 1036 C PHE A 63 1.107 8.140 2.777 1.00 0.00 C ATOM 1037 O PHE A 63 2.125 8.277 3.460 1.00 0.00 O ATOM 1038 CB PHE A 63 0.076 5.978 3.459 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.386 4.600 3.092 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.476 3.518 3.186 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.678 4.386 2.648 1.00 0.00 C ATOM 1042 CE1 PHE A 63 0.056 2.251 2.843 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.104 3.120 2.306 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.235 2.052 2.403 1.00 0.00 C ATOM 0 H PHE A 63 2.670 6.097 2.302 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.062 6.867 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.815 5.903 4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.768 6.539 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.488 3.670 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.361 5.219 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.737 1.416 2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.116 2.964 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.567 1.060 2.134 1.00 0.00 H new ATOM 1054 N GLU A 64 0.338 9.156 2.415 1.00 0.00 N ATOM 1055 CA GLU A 64 0.562 10.508 2.913 1.00 0.00 C ATOM 1056 C GLU A 64 0.331 10.560 4.420 1.00 0.00 C ATOM 1057 O GLU A 64 -0.802 10.669 4.885 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.368 11.495 2.206 1.00 0.00 C ATOM 1059 CG GLU A 64 0.344 12.723 1.664 1.00 0.00 C ATOM 1060 CD GLU A 64 0.158 13.943 2.544 1.00 0.00 C ATOM 1061 OE1 GLU A 64 0.603 13.914 3.711 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -0.426 14.941 2.074 1.00 0.00 O ATOM 0 H GLU A 64 -0.451 9.070 1.775 1.00 0.00 H new ATOM 0 HA GLU A 64 1.595 10.788 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.869 10.984 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.143 11.813 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.408 12.508 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.028 12.942 0.663 1.00 0.00 H new ATOM 1069 N GLY A 65 1.409 10.463 5.178 1.00 0.00 N ATOM 1070 CA GLY A 65 1.305 10.448 6.622 1.00 0.00 C ATOM 1071 C GLY A 65 1.737 9.117 7.194 1.00 0.00 C ATOM 1072 O GLY A 65 2.064 9.013 8.377 1.00 0.00 O ATOM 0 H GLY A 65 2.361 10.394 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.922 11.243 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.276 10.655 6.916 1.00 0.00 H new ATOM 1076 N GLY A 66 1.741 8.096 6.343 1.00 0.00 N ATOM 1077 CA GLY A 66 2.195 6.783 6.754 1.00 0.00 C ATOM 1078 C GLY A 66 1.082 5.900 7.286 1.00 0.00 C ATOM 1079 O GLY A 66 1.334 4.770 7.700 1.00 0.00 O ATOM 0 H GLY A 66 1.436 8.157 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.667 6.288 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.959 6.895 7.523 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.145 6.397 7.263 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.264 5.657 7.831 1.00 0.00 C ATOM 1085 C GLU A 67 -2.306 5.307 6.769 1.00 0.00 C ATOM 1086 O GLU A 67 -2.538 6.071 5.831 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.910 6.456 8.975 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.926 7.494 8.514 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.795 8.811 9.247 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -1.898 9.607 8.894 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -3.592 9.065 10.177 1.00 0.00 O ATOM 0 H GLU A 67 -0.391 7.302 6.861 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.873 4.721 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.400 5.761 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.125 6.958 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.803 7.665 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.932 7.101 8.661 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.891 4.125 6.909 1.00 0.00 N ATOM 1099 CA LYS A 68 -4.006 3.700 6.077 1.00 0.00 C ATOM 1100 C LYS A 68 -5.312 3.866 6.857 1.00 0.00 C ATOM 1101 O LYS A 68 -5.802 2.928 7.490 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.806 2.243 5.654 1.00 0.00 C ATOM 1103 CG LYS A 68 -3.461 1.320 6.807 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.033 -0.072 6.606 1.00 0.00 C ATOM 1105 CE LYS A 68 -3.528 -1.032 7.668 1.00 0.00 C ATOM 1106 NZ LYS A 68 -4.379 -1.016 8.886 1.00 0.00 N ATOM 0 H LYS A 68 -2.605 3.434 7.603 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.055 4.315 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.716 1.885 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.011 2.195 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.378 1.256 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.845 1.740 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.122 -0.029 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.759 -0.442 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.500 -2.042 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.505 -0.769 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.998 -1.686 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.386 -0.059 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.350 -1.293 8.635 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.868 5.063 6.821 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.019 5.385 7.647 1.00 0.00 C ATOM 1122 C LYS A 69 -8.295 5.477 6.821 1.00 0.00 C ATOM 1123 O LYS A 69 -8.965 4.469 6.583 1.00 0.00 O ATOM 1124 CB LYS A 69 -6.775 6.695 8.397 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.652 6.519 9.901 1.00 0.00 C ATOM 1126 CD LYS A 69 -7.945 6.890 10.609 1.00 0.00 C ATOM 1127 CE LYS A 69 -8.623 5.672 11.214 1.00 0.00 C ATOM 1128 NZ LYS A 69 -9.912 5.358 10.539 1.00 0.00 N ATOM 0 H LYS A 69 -5.542 5.828 6.230 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.151 4.578 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.864 7.157 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.593 7.383 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.395 5.484 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.838 7.140 10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.735 7.617 11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.622 7.370 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.957 4.812 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.802 5.847 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.634 5.137 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.219 6.179 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.785 4.539 9.911 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.623 6.676 6.369 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.905 6.920 5.729 1.00 0.00 C ATOM 1144 C GLU A 70 -9.859 6.572 4.250 1.00 0.00 C ATOM 1145 O GLU A 70 -9.859 7.451 3.392 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.326 8.376 5.917 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.327 8.572 7.040 1.00 0.00 C ATOM 1148 CD GLU A 70 -10.688 8.498 8.410 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.170 9.533 8.881 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -10.715 7.413 9.030 1.00 0.00 O ATOM 0 H GLU A 70 -8.019 7.496 6.433 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.644 6.274 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.441 8.979 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.758 8.745 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.814 9.540 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.105 7.812 6.965 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.815 5.277 3.967 1.00 0.00 N ATOM 1158 CA GLY A 71 -9.820 4.812 2.597 1.00 0.00 C ATOM 1159 C GLY A 71 -8.533 5.136 1.871 1.00 0.00 C ATOM 1160 O GLY A 71 -8.523 5.260 0.649 1.00 0.00 O ATOM 0 H GLY A 71 -9.776 4.537 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.980 3.734 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.657 5.265 2.066 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.452 5.275 2.626 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.157 5.624 2.055 1.00 0.00 C ATOM 1166 C ASP A 72 -5.599 4.469 1.237 1.00 0.00 C ATOM 1167 O ASP A 72 -5.309 3.401 1.775 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.166 6.004 3.158 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.567 7.262 3.900 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -5.634 8.340 3.271 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.815 7.181 5.124 1.00 0.00 O ATOM 0 H ASP A 72 -7.446 5.151 3.638 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.301 6.482 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.085 5.180 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.178 6.146 2.720 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.473 4.687 -0.063 1.00 0.00 N ATOM 1177 CA ILE A 73 -4.908 3.699 -0.969 1.00 0.00 C ATOM 1178 C ILE A 73 -3.398 3.899 -1.074 1.00 0.00 C ATOM 1179 O ILE A 73 -2.920 5.033 -1.102 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.560 3.818 -2.370 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.015 3.348 -2.315 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -4.791 3.030 -3.426 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -7.987 4.328 -2.931 1.00 0.00 C ATOM 0 H ILE A 73 -5.759 5.553 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.110 2.703 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.529 4.869 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.100 2.391 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.294 3.176 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.283 3.141 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.771 3.409 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.769 1.976 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.000 3.931 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.930 5.279 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.733 4.482 -3.980 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.627 2.804 -1.119 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.175 2.875 -1.240 1.00 0.00 C ATOM 1197 C PRO A 74 -0.760 3.408 -2.603 1.00 0.00 C ATOM 1198 O PRO A 74 -0.929 2.739 -3.618 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.725 1.426 -1.070 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.906 0.608 -1.455 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.111 1.417 -1.071 1.00 0.00 C ATOM 0 HA PRO A 74 -0.729 3.549 -0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.133 1.202 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.424 1.224 -0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.902 0.396 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.900 -0.353 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.938 1.257 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.471 1.152 -0.077 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.220 4.612 -2.624 1.00 0.00 N ATOM 1210 CA VAL A 75 0.165 5.239 -3.872 1.00 0.00 C ATOM 1211 C VAL A 75 1.644 5.000 -4.148 1.00 0.00 C ATOM 1212 O VAL A 75 2.423 4.739 -3.229 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.144 6.753 -3.872 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.647 6.982 -3.802 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.563 7.456 -2.721 1.00 0.00 C ATOM 0 H VAL A 75 -0.039 5.174 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.425 4.783 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 75 0.231 7.180 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.852 8.052 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.126 6.520 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.041 6.538 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.328 8.520 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.228 7.032 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.640 7.320 -2.818 1.00 0.00 H new ATOM 1225 N PRO A 76 2.052 5.081 -5.421 1.00 0.00 N ATOM 1226 CA PRO A 76 3.423 4.765 -5.823 1.00 0.00 C ATOM 1227 C PRO A 76 4.422 5.765 -5.262 1.00 0.00 C ATOM 1228 O PRO A 76 5.558 5.421 -4.933 1.00 0.00 O ATOM 1229 CB PRO A 76 3.387 4.846 -7.351 1.00 0.00 C ATOM 1230 CG PRO A 76 2.203 5.693 -7.675 1.00 0.00 C ATOM 1231 CD PRO A 76 1.214 5.501 -6.559 1.00 0.00 C ATOM 0 HA PRO A 76 3.742 3.792 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.304 5.286 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.294 3.855 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.489 6.741 -7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.769 5.401 -8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.673 6.422 -6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.469 4.745 -6.809 1.00 0.00 H new ATOM 1239 N ASP A 77 3.969 6.999 -5.137 1.00 0.00 N ATOM 1240 CA ASP A 77 4.801 8.102 -4.700 1.00 0.00 C ATOM 1241 C ASP A 77 3.914 9.280 -4.352 1.00 0.00 C ATOM 1242 O ASP A 77 3.393 9.937 -5.247 1.00 0.00 O ATOM 1243 CB ASP A 77 5.769 8.499 -5.817 1.00 0.00 C ATOM 1244 CG ASP A 77 7.049 9.124 -5.304 1.00 0.00 C ATOM 1245 OD1 ASP A 77 7.022 9.782 -4.247 1.00 0.00 O ATOM 1246 OD2 ASP A 77 8.093 8.963 -5.968 1.00 0.00 O ATOM 0 H ASP A 77 3.005 7.265 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 77 5.377 7.801 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.015 7.616 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.272 9.201 -6.486 1.00 0.00 H new ATOM 1251 N PRO A 78 3.705 9.553 -3.057 1.00 0.00 N ATOM 1252 CA PRO A 78 2.859 10.669 -2.614 1.00 0.00 C ATOM 1253 C PRO A 78 3.389 12.018 -3.095 1.00 0.00 C ATOM 1254 O PRO A 78 2.674 13.022 -3.085 1.00 0.00 O ATOM 1255 CB PRO A 78 2.899 10.582 -1.084 1.00 0.00 C ATOM 1256 CG PRO A 78 4.084 9.734 -0.762 1.00 0.00 C ATOM 1257 CD PRO A 78 4.263 8.797 -1.925 1.00 0.00 C ATOM 0 HA PRO A 78 1.850 10.598 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.992 11.572 -0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.983 10.140 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.973 10.348 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.925 9.179 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.313 8.550 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.734 7.857 -1.769 1.00 0.00 H new ATOM 1265 N THR A 79 4.643 12.027 -3.523 1.00 0.00 N ATOM 1266 CA THR A 79 5.271 13.230 -4.036 1.00 0.00 C ATOM 1267 C THR A 79 5.085 13.362 -5.550 1.00 0.00 C ATOM 1268 O THR A 79 5.343 14.421 -6.123 1.00 0.00 O ATOM 1269 CB THR A 79 6.776 13.247 -3.704 1.00 0.00 C ATOM 1270 OG1 THR A 79 7.147 12.041 -3.015 1.00 0.00 O ATOM 1271 CG2 THR A 79 7.122 14.445 -2.837 1.00 0.00 C ATOM 0 H THR A 79 5.248 11.206 -3.524 1.00 0.00 H new ATOM 0 HA THR A 79 4.783 14.076 -3.551 1.00 0.00 H new ATOM 0 HB THR A 79 7.327 13.316 -4.642 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.353 11.341 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.189 14.437 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.868 15.363 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.557 14.396 -1.906 1.00 0.00 H new ATOM 1279 N VAL A 80 4.627 12.290 -6.197 1.00 0.00 N ATOM 1280 CA VAL A 80 4.468 12.292 -7.647 1.00 0.00 C ATOM 1281 C VAL A 80 3.017 12.028 -8.036 1.00 0.00 C ATOM 1282 O VAL A 80 2.375 12.858 -8.680 1.00 0.00 O ATOM 1283 CB VAL A 80 5.377 11.240 -8.320 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.072 11.132 -9.808 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.843 11.578 -8.098 1.00 0.00 C ATOM 0 H VAL A 80 4.362 11.416 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 80 4.762 13.281 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 80 5.173 10.273 -7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.725 10.385 -10.260 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.032 10.836 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.241 12.097 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.467 10.825 -8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.060 12.557 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.055 11.595 -7.029 1.00 0.00 H new ATOM 1295 N ASP A 81 2.503 10.873 -7.634 1.00 0.00 N ATOM 1296 CA ASP A 81 1.138 10.487 -7.968 1.00 0.00 C ATOM 1297 C ASP A 81 0.181 10.995 -6.908 1.00 0.00 C ATOM 1298 O ASP A 81 0.569 11.214 -5.761 1.00 0.00 O ATOM 1299 CB ASP A 81 1.006 8.964 -8.094 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.195 8.544 -8.928 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.950 9.425 -9.391 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.383 7.326 -9.132 1.00 0.00 O ATOM 0 H ASP A 81 3.011 10.187 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 81 0.889 10.934 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.914 8.561 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.922 8.527 -7.099 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.062 11.186 -7.296 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.068 11.667 -6.377 1.00 0.00 C ATOM 1309 C LYS A 82 -2.415 10.578 -5.362 1.00 0.00 C ATOM 1310 O LYS A 82 -2.826 9.473 -5.728 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.310 12.159 -7.152 1.00 0.00 C ATOM 1312 CG LYS A 82 -4.581 11.347 -6.936 1.00 0.00 C ATOM 1313 CD LYS A 82 -5.091 10.750 -8.239 1.00 0.00 C ATOM 1314 CE LYS A 82 -4.369 9.456 -8.587 1.00 0.00 C ATOM 1315 NZ LYS A 82 -3.571 9.582 -9.835 1.00 0.00 N ATOM 0 H LYS A 82 -1.399 11.015 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.675 12.519 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.507 13.193 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.076 12.159 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.386 10.548 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.351 11.984 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.161 10.559 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.957 11.470 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.712 9.174 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.098 8.654 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.754 8.763 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.840 10.454 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.559 9.617 -9.598 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.139 10.868 -4.098 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.596 10.039 -2.994 1.00 0.00 C ATOM 1331 C GLN A 83 -4.089 9.762 -3.139 1.00 0.00 C ATOM 1332 O GLN A 83 -4.915 10.670 -3.009 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.306 10.735 -1.658 1.00 0.00 C ATOM 1334 CG GLN A 83 -2.944 10.055 -0.452 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.361 8.683 -0.179 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.188 8.554 0.163 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.180 7.654 -0.319 1.00 0.00 N ATOM 0 H GLN A 83 -1.594 11.681 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.060 9.090 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.227 10.778 -1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.661 11.764 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.810 10.684 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.017 9.963 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.147 7.807 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.845 6.707 -0.141 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.430 8.517 -3.438 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.815 8.151 -3.637 1.00 0.00 C ATOM 1348 C ILE A 84 -6.447 7.734 -2.321 1.00 0.00 C ATOM 1349 O ILE A 84 -5.887 6.921 -1.590 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.997 7.004 -4.659 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.898 7.020 -5.724 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.361 7.117 -5.321 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.223 5.680 -5.921 1.00 0.00 C ATOM 0 H ILE A 84 -3.766 7.750 -3.547 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.307 9.038 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.927 6.059 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.328 7.343 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.146 7.759 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.485 6.307 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.140 7.051 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.437 8.074 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.456 5.769 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.763 5.363 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.963 4.942 -6.230 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.591 8.314 -2.007 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.346 7.908 -0.836 1.00 0.00 C ATOM 1367 C LYS A 85 -9.835 7.872 -1.160 1.00 0.00 C ATOM 1368 O LYS A 85 -10.346 8.737 -1.873 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.066 8.844 0.350 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.680 10.230 0.215 1.00 0.00 C ATOM 1371 CD LYS A 85 -9.241 10.723 1.542 1.00 0.00 C ATOM 1372 CE LYS A 85 -10.590 10.091 1.850 1.00 0.00 C ATOM 1373 NZ LYS A 85 -11.266 10.754 2.997 1.00 0.00 N ATOM 0 H LYS A 85 -8.017 9.067 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.028 6.906 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.444 8.380 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.987 8.948 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.926 10.930 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.475 10.206 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.539 10.491 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.345 11.808 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.228 10.151 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.453 9.033 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.235 10.386 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.737 10.559 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.299 11.781 2.834 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.517 6.851 -0.668 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.957 6.746 -0.845 1.00 0.00 C ATOM 1389 C ILE A 86 -12.658 7.113 0.450 1.00 0.00 C ATOM 1390 O ILE A 86 -12.141 6.841 1.533 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.407 5.328 -1.268 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.241 4.517 -1.827 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.523 5.419 -2.296 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.826 3.363 -0.937 1.00 0.00 C ATOM 0 H ILE A 86 -10.098 6.083 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.228 7.434 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.777 4.814 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.516 4.129 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.387 5.178 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.832 4.415 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.372 5.950 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.166 5.957 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.993 2.831 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.520 3.746 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.667 2.681 -0.810 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.821 7.736 0.348 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.584 8.080 1.536 1.00 0.00 C ATOM 1408 C GLU A 87 -15.183 6.822 2.156 1.00 0.00 C ATOM 1409 O GLU A 87 -16.232 6.333 1.729 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.683 9.091 1.198 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.986 10.061 2.330 1.00 0.00 C ATOM 1412 CD GLU A 87 -14.788 10.908 2.715 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.854 10.376 3.356 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -14.775 12.112 2.384 1.00 0.00 O ATOM 0 H GLU A 87 -14.253 8.011 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.912 8.540 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.386 9.657 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.594 8.552 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.806 10.714 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.324 9.501 3.202 1.00 0.00 H new ATOM 1421 N LEU A 88 -14.511 6.317 3.176 1.00 0.00 N ATOM 1422 CA LEU A 88 -14.903 5.076 3.820 1.00 0.00 C ATOM 1423 C LEU A 88 -15.681 5.362 5.095 1.00 0.00 C ATOM 1424 O LEU A 88 -15.336 6.274 5.848 1.00 0.00 O ATOM 1425 CB LEU A 88 -13.655 4.230 4.119 1.00 0.00 C ATOM 1426 CG LEU A 88 -13.695 3.403 5.408 1.00 0.00 C ATOM 1427 CD1 LEU A 88 -13.650 1.917 5.084 1.00 0.00 C ATOM 1428 CD2 LEU A 88 -12.544 3.788 6.327 1.00 0.00 C ATOM 0 H LEU A 88 -13.682 6.753 3.579 1.00 0.00 H new ATOM 0 HA LEU A 88 -15.553 4.515 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.491 3.552 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.792 4.895 4.164 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.630 3.615 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.679 1.342 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.508 1.653 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.731 1.690 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -12.589 3.190 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -11.597 3.605 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -12.621 4.845 6.583 1.00 0.00 H new ATOM 1440 N PRO A 89 -16.760 4.606 5.332 1.00 0.00 N ATOM 1441 CA PRO A 89 -17.531 4.702 6.570 1.00 0.00 C ATOM 1442 C PRO A 89 -16.693 4.282 7.773 1.00 0.00 C ATOM 1443 O PRO A 89 -16.015 3.254 7.731 1.00 0.00 O ATOM 1444 CB PRO A 89 -18.694 3.726 6.358 1.00 0.00 C ATOM 1445 CG PRO A 89 -18.734 3.474 4.889 1.00 0.00 C ATOM 1446 CD PRO A 89 -17.318 3.602 4.415 1.00 0.00 C ATOM 0 HA PRO A 89 -17.862 5.720 6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -18.536 2.800 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -19.634 4.152 6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -19.131 2.482 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -19.381 4.193 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -16.783 2.655 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -17.267 3.929 3.377 1.00 0.00 H new ATOM 1454 N PRO A 90 -16.722 5.086 8.848 1.00 0.00 N ATOM 1455 CA PRO A 90 -15.943 4.828 10.069 1.00 0.00 C ATOM 1456 C PRO A 90 -16.145 3.418 10.613 1.00 0.00 C ATOM 1457 O PRO A 90 -15.232 2.825 11.188 1.00 0.00 O ATOM 1458 CB PRO A 90 -16.483 5.868 11.053 1.00 0.00 C ATOM 1459 CG PRO A 90 -16.969 6.977 10.191 1.00 0.00 C ATOM 1460 CD PRO A 90 -17.509 6.326 8.952 1.00 0.00 C ATOM 0 HA PRO A 90 -14.870 4.902 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.288 5.457 11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.706 6.208 11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.742 7.556 10.697 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.161 7.667 9.949 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -18.576 6.119 9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.378 6.960 8.075 1.00 0.00 H new ATOM 1468 N LYS A 91 -17.340 2.881 10.417 1.00 0.00 N ATOM 1469 CA LYS A 91 -17.642 1.531 10.849 1.00 0.00 C ATOM 1470 C LYS A 91 -18.402 0.792 9.760 1.00 0.00 C ATOM 1471 O LYS A 91 -17.847 -0.177 9.204 1.00 0.00 O ATOM 1472 CB LYS A 91 -18.456 1.550 12.146 1.00 0.00 C ATOM 1473 CG LYS A 91 -17.642 1.188 13.374 1.00 0.00 C ATOM 1474 CD LYS A 91 -18.036 2.037 14.570 1.00 0.00 C ATOM 1475 CE LYS A 91 -17.115 1.793 15.753 1.00 0.00 C ATOM 1476 NZ LYS A 91 -17.321 0.448 16.345 1.00 0.00 N ATOM 1477 OXT LYS A 91 -19.544 1.191 9.455 1.00 0.00 O ATOM 0 H LYS A 91 -18.115 3.363 9.961 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.704 1.010 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.884 2.543 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.289 0.854 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.787 0.134 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.581 1.324 13.163 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.005 3.091 14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -19.064 1.812 14.855 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.078 1.894 15.433 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.290 2.555 16.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.674 0.320 17.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.304 0.360 16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.130 -0.280 15.628 1.00 0.00 H new TER 1491 LYS A 91 HETATM 1492 ZN ZN A 92 6.945 -0.284 -1.044 1.00 0.00 ZN