USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ 148:sc= -0.355 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.384 K(o=-0.74,f=0.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.05 K(o=-1,f=-2.5!) USER MOD Single : A 37 TYR OH : rot -162:sc= 0.106 USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.157 (180deg=-0.639) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00691) USER MOD Single : A 51 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.7) USER MOD Single : A 52 TYR OH : rot -1:sc= -0.0245 USER MOD Single : A 55 MET CE :methyl 139:sc= -0.377 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.855 -0.735 0.126 1.00 0.00 N ATOM 34 CA ALA A 3 4.810 -1.727 -0.145 1.00 0.00 C ATOM 35 C ALA A 3 4.517 -1.787 -1.637 1.00 0.00 C ATOM 36 O ALA A 3 4.991 -0.990 -2.430 1.00 0.00 O ATOM 37 CB ALA A 3 3.601 -1.461 0.732 1.00 0.00 C ATOM 0 HA ALA A 3 5.151 -2.727 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.830 -2.203 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.891 -1.524 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.212 -0.465 0.523 1.00 0.00 H new ATOM 43 N ILE A 4 3.775 -2.865 -1.947 1.00 0.00 N ATOM 44 CA ILE A 4 3.611 -3.262 -3.328 1.00 0.00 C ATOM 45 C ILE A 4 2.274 -3.937 -3.569 1.00 0.00 C ATOM 46 O ILE A 4 1.908 -4.881 -2.876 1.00 0.00 O ATOM 47 CB ILE A 4 4.655 -4.410 -3.403 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.116 -3.925 -3.191 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.544 -5.247 -4.705 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.227 -4.931 -3.534 1.00 0.00 C ATOM 0 H ILE A 4 3.296 -3.455 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 4 3.700 -2.423 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 4 4.404 -5.063 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.269 -3.029 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.231 -3.632 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.299 -6.033 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.553 -5.697 -4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.702 -4.600 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.200 -4.477 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.115 -5.821 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.154 -5.209 -4.586 1.00 0.00 H new ATOM 62 N ALA A 5 1.605 -3.443 -4.623 1.00 0.00 N ATOM 63 CA ALA A 5 0.327 -4.033 -4.967 1.00 0.00 C ATOM 64 C ALA A 5 0.562 -5.499 -5.431 1.00 0.00 C ATOM 65 O ALA A 5 1.325 -5.763 -6.348 1.00 0.00 O ATOM 66 CB ALA A 5 -0.214 -3.216 -6.140 1.00 0.00 C ATOM 0 H ALA A 5 1.917 -2.675 -5.218 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.364 -4.032 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.181 -3.615 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.330 -2.176 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.483 -3.274 -6.976 1.00 0.00 H new ATOM 72 N LYS A 6 -0.179 -6.411 -4.768 1.00 0.00 N ATOM 73 CA LYS A 6 -0.096 -7.866 -5.019 1.00 0.00 C ATOM 74 C LYS A 6 -1.190 -8.406 -5.949 1.00 0.00 C ATOM 75 O LYS A 6 -1.013 -9.415 -6.628 1.00 0.00 O ATOM 76 CB LYS A 6 -0.212 -8.607 -3.680 1.00 0.00 C ATOM 77 CG LYS A 6 0.980 -8.328 -2.773 1.00 0.00 C ATOM 78 CD LYS A 6 2.013 -9.457 -2.817 1.00 0.00 C ATOM 79 CE LYS A 6 2.439 -9.812 -4.235 1.00 0.00 C ATOM 80 NZ LYS A 6 3.488 -10.822 -4.296 1.00 0.00 N ATOM 0 H LYS A 6 -0.852 -6.160 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 6 0.861 -8.035 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.130 -8.305 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.286 -9.679 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.453 -7.393 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.632 -8.195 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.891 -9.163 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.598 -10.342 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.570 -10.170 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.786 -8.909 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.728 -11.014 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.332 -10.476 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.154 -11.698 -3.845 1.00 0.00 H new ATOM 94 N TYR A 7 -2.328 -7.695 -5.912 1.00 0.00 N ATOM 95 CA TYR A 7 -3.483 -8.077 -6.737 1.00 0.00 C ATOM 96 C TYR A 7 -4.106 -6.762 -7.237 1.00 0.00 C ATOM 97 O TYR A 7 -3.772 -5.691 -6.747 1.00 0.00 O ATOM 98 CB TYR A 7 -4.542 -8.896 -5.940 1.00 0.00 C ATOM 99 CG TYR A 7 -4.054 -10.203 -5.362 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.176 -10.229 -4.284 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.458 -11.417 -5.923 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.644 -11.434 -3.828 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.969 -12.630 -5.450 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.047 -12.654 -4.392 1.00 0.00 C ATOM 105 OH TYR A 7 -2.519 -13.851 -3.917 1.00 0.00 O ATOM 0 H TYR A 7 -2.472 -6.869 -5.332 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.157 -8.720 -7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.917 -8.276 -5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.386 -9.103 -6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.903 -9.306 -3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.164 -11.413 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.914 -11.429 -3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.299 -13.556 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.906 -14.600 -4.417 1.00 0.00 H new ATOM 115 N ASP A 8 -5.000 -6.895 -8.247 1.00 0.00 N ATOM 116 CA ASP A 8 -5.650 -5.700 -8.821 1.00 0.00 C ATOM 117 C ASP A 8 -6.577 -5.063 -7.766 1.00 0.00 C ATOM 118 O ASP A 8 -7.070 -5.764 -6.898 1.00 0.00 O ATOM 119 CB ASP A 8 -6.474 -6.037 -10.077 1.00 0.00 C ATOM 120 CG ASP A 8 -5.688 -6.885 -11.086 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.978 -6.310 -11.911 1.00 0.00 O ATOM 122 OD2 ASP A 8 -5.802 -8.110 -11.039 1.00 0.00 O ATOM 0 H ASP A 8 -5.277 -7.783 -8.665 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.863 -5.004 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.377 -6.572 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.794 -5.112 -10.556 1.00 0.00 H new ATOM 127 N PHE A 9 -6.723 -3.717 -7.801 1.00 0.00 N ATOM 128 CA PHE A 9 -7.664 -3.098 -6.853 1.00 0.00 C ATOM 129 C PHE A 9 -8.312 -1.871 -7.504 1.00 0.00 C ATOM 130 O PHE A 9 -7.647 -1.043 -8.107 1.00 0.00 O ATOM 131 CB PHE A 9 -6.993 -2.728 -5.513 1.00 0.00 C ATOM 132 CG PHE A 9 -8.017 -2.524 -4.429 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.714 -3.648 -3.982 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.351 -1.254 -3.915 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.767 -3.516 -3.088 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.416 -1.130 -3.002 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.134 -2.268 -2.599 1.00 0.00 C ATOM 0 H PHE A 9 -6.236 -3.080 -8.431 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.435 -3.831 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.301 -3.518 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.405 -1.819 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.431 -4.629 -4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.793 -0.381 -4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.308 -4.394 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.681 -0.159 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.964 -2.174 -1.915 1.00 0.00 H new ATOM 147 N LYS A 10 -9.649 -1.823 -7.357 1.00 0.00 N ATOM 148 CA LYS A 10 -10.459 -0.718 -7.873 1.00 0.00 C ATOM 149 C LYS A 10 -11.221 -0.109 -6.689 1.00 0.00 C ATOM 150 O LYS A 10 -12.135 -0.726 -6.157 1.00 0.00 O ATOM 151 CB LYS A 10 -11.413 -1.235 -8.961 1.00 0.00 C ATOM 152 CG LYS A 10 -10.696 -1.384 -10.308 1.00 0.00 C ATOM 153 CD LYS A 10 -10.505 -0.029 -11.000 1.00 0.00 C ATOM 154 CE LYS A 10 -10.199 -0.140 -12.496 1.00 0.00 C ATOM 155 NZ LYS A 10 -8.764 -0.074 -12.731 1.00 0.00 N ATOM 0 H LYS A 10 -10.189 -2.545 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.836 0.049 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.826 -2.197 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.252 -0.548 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.725 -1.854 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.271 -2.046 -10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.407 0.568 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.692 0.508 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.594 -1.079 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.699 0.664 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.575 -0.151 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.396 0.832 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.294 -0.856 -12.232 1.00 0.00 H new ATOM 169 N ALA A 11 -10.833 1.156 -6.378 1.00 0.00 N ATOM 170 CA ALA A 11 -11.386 1.918 -5.247 1.00 0.00 C ATOM 171 C ALA A 11 -12.913 1.854 -5.190 1.00 0.00 C ATOM 172 O ALA A 11 -13.608 1.749 -6.195 1.00 0.00 O ATOM 173 CB ALA A 11 -10.979 3.394 -5.326 1.00 0.00 C ATOM 0 H ALA A 11 -10.128 1.668 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.976 1.456 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.401 3.934 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.892 3.474 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.354 3.826 -6.254 1.00 0.00 H new ATOM 179 N THR A 12 -13.355 1.950 -3.919 1.00 0.00 N ATOM 180 CA THR A 12 -14.772 1.867 -3.606 1.00 0.00 C ATOM 181 C THR A 12 -15.360 3.183 -3.055 1.00 0.00 C ATOM 182 O THR A 12 -16.570 3.383 -3.109 1.00 0.00 O ATOM 183 CB THR A 12 -14.954 0.744 -2.537 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.810 1.148 -1.139 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.198 -0.569 -2.927 1.00 0.00 C ATOM 0 H THR A 12 -12.748 2.083 -3.110 1.00 0.00 H new ATOM 0 HA THR A 12 -15.306 1.654 -4.532 1.00 0.00 H new ATOM 0 HB THR A 12 -16.017 0.506 -2.570 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.945 0.370 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.353 -1.322 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.581 -0.941 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.132 -0.361 -3.022 1.00 0.00 H new ATOM 193 N ALA A 13 -14.459 4.064 -2.560 1.00 0.00 N ATOM 194 CA ALA A 13 -14.934 5.333 -1.989 1.00 0.00 C ATOM 195 C ALA A 13 -13.884 6.435 -2.095 1.00 0.00 C ATOM 196 O ALA A 13 -12.713 6.233 -2.386 1.00 0.00 O ATOM 197 CB ALA A 13 -15.418 5.154 -0.526 1.00 0.00 C ATOM 0 H ALA A 13 -13.449 3.926 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.791 5.647 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.762 6.112 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.238 4.436 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.595 4.787 0.087 1.00 0.00 H new ATOM 203 N ASP A 14 -14.442 7.625 -1.813 1.00 0.00 N ATOM 204 CA ASP A 14 -13.764 8.916 -1.828 1.00 0.00 C ATOM 205 C ASP A 14 -12.356 8.933 -1.189 1.00 0.00 C ATOM 206 O ASP A 14 -11.429 9.542 -1.709 1.00 0.00 O ATOM 207 CB ASP A 14 -14.698 9.863 -1.057 1.00 0.00 C ATOM 208 CG ASP A 14 -14.458 11.341 -1.431 1.00 0.00 C ATOM 209 OD1 ASP A 14 -14.792 11.721 -2.552 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.948 12.097 -0.604 1.00 0.00 O ATOM 0 H ASP A 14 -15.426 7.708 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.583 9.205 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.735 9.600 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.545 9.730 0.014 1.00 0.00 H new ATOM 215 N ASP A 15 -12.245 8.192 -0.067 1.00 0.00 N ATOM 216 CA ASP A 15 -10.988 8.199 0.685 1.00 0.00 C ATOM 217 C ASP A 15 -9.931 7.174 0.251 1.00 0.00 C ATOM 218 O ASP A 15 -8.818 7.168 0.761 1.00 0.00 O ATOM 219 CB ASP A 15 -11.385 7.912 2.135 1.00 0.00 C ATOM 220 CG ASP A 15 -11.981 6.510 2.443 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.254 5.739 1.525 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.152 6.207 3.621 1.00 0.00 O ATOM 0 H ASP A 15 -12.983 7.605 0.321 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.507 9.163 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.503 8.049 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.113 8.663 2.441 1.00 0.00 H new ATOM 227 N GLU A 16 -10.310 6.385 -0.763 1.00 0.00 N ATOM 228 CA GLU A 16 -9.444 5.329 -1.280 1.00 0.00 C ATOM 229 C GLU A 16 -8.868 5.751 -2.644 1.00 0.00 C ATOM 230 O GLU A 16 -9.408 6.590 -3.357 1.00 0.00 O ATOM 231 CB GLU A 16 -10.286 4.039 -1.449 1.00 0.00 C ATOM 232 CG GLU A 16 -10.414 3.220 -0.152 1.00 0.00 C ATOM 233 CD GLU A 16 -11.377 2.015 -0.245 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.431 1.365 -1.293 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.062 1.731 0.740 1.00 0.00 O ATOM 0 H GLU A 16 -11.210 6.461 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.621 5.151 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.282 4.307 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.833 3.416 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.426 2.858 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.754 3.879 0.647 1.00 0.00 H new ATOM 242 N LEU A 17 -7.754 5.051 -2.963 1.00 0.00 N ATOM 243 CA LEU A 17 -7.058 5.293 -4.225 1.00 0.00 C ATOM 244 C LEU A 17 -6.871 3.900 -4.892 1.00 0.00 C ATOM 245 O LEU A 17 -6.756 2.879 -4.224 1.00 0.00 O ATOM 246 CB LEU A 17 -5.735 6.066 -4.003 1.00 0.00 C ATOM 247 CG LEU A 17 -4.474 5.210 -3.763 1.00 0.00 C ATOM 248 CD1 LEU A 17 -3.769 5.032 -5.104 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.459 5.834 -2.806 1.00 0.00 C ATOM 0 H LEU A 17 -7.335 4.333 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.631 5.939 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.558 6.698 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.866 6.729 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.814 4.277 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.871 4.429 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.438 4.531 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.493 6.008 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.605 5.166 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.122 6.790 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.925 5.992 -1.833 1.00 0.00 H new ATOM 261 N SER A 18 -6.844 3.936 -6.242 1.00 0.00 N ATOM 262 CA SER A 18 -6.731 2.731 -7.081 1.00 0.00 C ATOM 263 C SER A 18 -5.277 2.249 -7.284 1.00 0.00 C ATOM 264 O SER A 18 -4.294 2.912 -6.984 1.00 0.00 O ATOM 265 CB SER A 18 -7.299 3.085 -8.482 1.00 0.00 C ATOM 266 OG SER A 18 -8.784 3.027 -8.299 1.00 0.00 O ATOM 0 H SER A 18 -6.900 4.803 -6.777 1.00 0.00 H new ATOM 0 HA SER A 18 -7.273 1.932 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.975 4.075 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.963 2.377 -9.239 1.00 0.00 H new ATOM 0 HG SER A 18 -9.227 3.242 -9.146 1.00 0.00 H new ATOM 272 N PHE A 19 -5.231 1.018 -7.855 1.00 0.00 N ATOM 273 CA PHE A 19 -3.960 0.447 -8.300 1.00 0.00 C ATOM 274 C PHE A 19 -4.261 -0.711 -9.270 1.00 0.00 C ATOM 275 O PHE A 19 -5.402 -1.022 -9.592 1.00 0.00 O ATOM 276 CB PHE A 19 -2.984 0.070 -7.169 1.00 0.00 C ATOM 277 CG PHE A 19 -3.531 -0.778 -6.044 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.166 -0.177 -4.952 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.351 -2.165 -6.038 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.603 -0.948 -3.874 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.760 -2.917 -4.940 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.382 -2.321 -3.847 1.00 0.00 C ATOM 0 H PHE A 19 -6.045 0.424 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.406 1.226 -8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.140 -0.459 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.592 0.992 -6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.319 0.892 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.894 -2.653 -6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.118 -0.474 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.591 -3.984 -4.936 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.687 -2.912 -2.996 1.00 0.00 H new ATOM 292 N LYS A 20 -3.141 -1.277 -9.743 1.00 0.00 N ATOM 293 CA LYS A 20 -3.132 -2.383 -10.684 1.00 0.00 C ATOM 294 C LYS A 20 -2.015 -3.283 -10.177 1.00 0.00 C ATOM 295 O LYS A 20 -0.928 -2.797 -9.894 1.00 0.00 O ATOM 296 CB LYS A 20 -2.830 -1.839 -12.098 1.00 0.00 C ATOM 297 CG LYS A 20 -3.950 -0.940 -12.683 1.00 0.00 C ATOM 298 CD LYS A 20 -3.413 0.308 -13.409 1.00 0.00 C ATOM 299 CE LYS A 20 -3.627 1.589 -12.594 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.735 2.650 -13.033 1.00 0.00 N ATOM 0 H LYS A 20 -2.208 -0.967 -9.472 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.079 -2.919 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.901 -1.269 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.665 -2.680 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.551 -1.526 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.612 -0.626 -11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.349 0.180 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.909 0.406 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.662 1.917 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.458 1.383 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.203 3.571 -12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.862 2.626 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.501 2.514 -14.037 1.00 0.00 H new ATOM 314 N ARG A 21 -2.319 -4.598 -10.146 1.00 0.00 N ATOM 315 CA ARG A 21 -1.371 -5.591 -9.628 1.00 0.00 C ATOM 316 C ARG A 21 0.085 -5.350 -10.086 1.00 0.00 C ATOM 317 O ARG A 21 0.498 -5.745 -11.169 1.00 0.00 O ATOM 318 CB ARG A 21 -1.822 -6.977 -10.116 1.00 0.00 C ATOM 319 CG ARG A 21 -0.948 -8.133 -9.588 1.00 0.00 C ATOM 320 CD ARG A 21 0.157 -8.567 -10.570 1.00 0.00 C ATOM 321 NE ARG A 21 0.475 -9.978 -10.401 1.00 0.00 N ATOM 322 CZ ARG A 21 1.261 -10.631 -11.282 1.00 0.00 C ATOM 323 NH1 ARG A 21 1.903 -9.992 -12.254 1.00 0.00 N ATOM 324 NH2 ARG A 21 1.394 -11.944 -11.184 1.00 0.00 N ATOM 0 H ARG A 21 -3.204 -4.987 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.374 -5.513 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.854 -7.143 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.809 -6.991 -11.206 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.488 -7.830 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.586 -8.990 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.168 -8.383 -11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.052 -7.966 -10.406 1.00 0.00 H new ATOM 0 HE ARG A 21 0.096 -10.483 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.808 -8.981 -12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.490 -10.513 -12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.905 -12.453 -10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.986 -12.447 -11.845 1.00 0.00 H new ATOM 338 N GLY A 22 0.832 -4.703 -9.166 1.00 0.00 N ATOM 339 CA GLY A 22 2.234 -4.418 -9.433 1.00 0.00 C ATOM 340 C GLY A 22 2.713 -3.028 -9.005 1.00 0.00 C ATOM 341 O GLY A 22 3.910 -2.853 -8.814 1.00 0.00 O ATOM 0 H GLY A 22 0.489 -4.381 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.843 -5.166 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.414 -4.533 -10.502 1.00 0.00 H new ATOM 345 N ASP A 23 1.772 -2.049 -8.877 1.00 0.00 N ATOM 346 CA ASP A 23 2.161 -0.693 -8.477 1.00 0.00 C ATOM 347 C ASP A 23 3.114 -0.698 -7.264 1.00 0.00 C ATOM 348 O ASP A 23 2.959 -1.475 -6.331 1.00 0.00 O ATOM 349 CB ASP A 23 0.930 0.188 -8.179 1.00 0.00 C ATOM 350 CG ASP A 23 0.341 0.788 -9.482 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.921 1.743 -10.002 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.684 0.310 -9.961 1.00 0.00 O ATOM 0 H ASP A 23 0.774 -2.180 -9.042 1.00 0.00 H new ATOM 0 HA ASP A 23 2.695 -0.265 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.169 -0.405 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.211 0.993 -7.500 1.00 0.00 H new ATOM 357 N ILE A 24 4.067 0.257 -7.313 1.00 0.00 N ATOM 358 CA ILE A 24 5.025 0.407 -6.216 1.00 0.00 C ATOM 359 C ILE A 24 4.424 1.521 -5.369 1.00 0.00 C ATOM 360 O ILE A 24 4.157 2.611 -5.861 1.00 0.00 O ATOM 361 CB ILE A 24 6.436 0.777 -6.704 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.932 -0.259 -7.731 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.419 0.919 -5.516 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.350 0.020 -8.234 1.00 0.00 C ATOM 0 H ILE A 24 4.187 0.916 -8.082 1.00 0.00 H new ATOM 0 HA ILE A 24 5.166 -0.525 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 24 6.389 1.748 -7.198 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.902 -1.251 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.249 -0.275 -8.580 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.408 1.181 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.067 1.702 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.475 -0.026 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.638 -0.746 -8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.380 0.998 -8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.043 0.007 -7.393 1.00 0.00 H new ATOM 376 N LEU A 25 4.241 1.187 -4.080 1.00 0.00 N ATOM 377 CA LEU A 25 3.589 2.111 -3.162 1.00 0.00 C ATOM 378 C LEU A 25 4.558 2.655 -2.132 1.00 0.00 C ATOM 379 O LEU A 25 5.624 2.090 -1.897 1.00 0.00 O ATOM 380 CB LEU A 25 2.455 1.346 -2.465 1.00 0.00 C ATOM 381 CG LEU A 25 1.276 1.111 -3.425 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.069 -0.372 -3.738 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.007 1.714 -2.862 1.00 0.00 C ATOM 0 H LEU A 25 4.531 0.302 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 25 3.204 2.966 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.828 0.389 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.114 1.907 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 25 1.525 1.611 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.226 -0.486 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.969 -0.775 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.865 -0.914 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.828 1.536 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.237 1.250 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.125 2.787 -2.724 1.00 0.00 H new ATOM 395 N LYS A 26 4.087 3.830 -1.629 1.00 0.00 N ATOM 396 CA LYS A 26 4.711 4.605 -0.555 1.00 0.00 C ATOM 397 C LYS A 26 3.723 4.703 0.616 1.00 0.00 C ATOM 398 O LYS A 26 2.857 5.558 0.611 1.00 0.00 O ATOM 399 CB LYS A 26 5.218 5.978 -1.044 1.00 0.00 C ATOM 400 CG LYS A 26 6.707 6.211 -0.725 1.00 0.00 C ATOM 401 CD LYS A 26 7.016 7.655 -0.315 1.00 0.00 C ATOM 402 CE LYS A 26 6.598 7.931 1.137 1.00 0.00 C ATOM 403 NZ LYS A 26 7.447 8.929 1.776 1.00 0.00 N ATOM 0 H LYS A 26 3.234 4.265 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 26 5.608 4.092 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.065 6.055 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.624 6.766 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.010 5.539 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.304 5.952 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.083 7.846 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.495 8.343 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.563 8.272 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.639 7.003 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.127 9.082 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.432 8.594 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.389 9.823 1.249 1.00 0.00 H new ATOM 417 N VAL A 27 3.942 3.909 1.690 1.00 0.00 N ATOM 418 CA VAL A 27 2.936 3.967 2.750 1.00 0.00 C ATOM 419 C VAL A 27 3.249 5.133 3.699 1.00 0.00 C ATOM 420 O VAL A 27 4.101 5.051 4.574 1.00 0.00 O ATOM 421 CB VAL A 27 2.997 2.645 3.563 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.859 2.538 4.589 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.003 1.409 2.655 1.00 0.00 C ATOM 0 H VAL A 27 4.731 3.279 1.834 1.00 0.00 H new ATOM 0 HA VAL A 27 1.949 4.106 2.308 1.00 0.00 H new ATOM 0 HB VAL A 27 3.941 2.675 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.946 1.597 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.923 3.369 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.899 2.572 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.046 0.508 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.094 1.395 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.873 1.444 1.999 1.00 0.00 H new ATOM 433 N LEU A 28 2.446 6.205 3.497 1.00 0.00 N ATOM 434 CA LEU A 28 2.584 7.375 4.351 1.00 0.00 C ATOM 435 C LEU A 28 1.581 7.181 5.494 1.00 0.00 C ATOM 436 O LEU A 28 0.412 7.534 5.392 1.00 0.00 O ATOM 437 CB LEU A 28 2.291 8.643 3.529 1.00 0.00 C ATOM 438 CG LEU A 28 2.990 9.912 4.059 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.380 10.420 5.374 1.00 0.00 C ATOM 440 CD2 LEU A 28 4.513 9.728 4.196 1.00 0.00 C ATOM 0 H LEU A 28 1.728 6.271 2.776 1.00 0.00 H new ATOM 0 HA LEU A 28 3.591 7.489 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.601 8.474 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.214 8.813 3.515 1.00 0.00 H new ATOM 0 HG LEU A 28 2.816 10.679 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.911 11.314 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.328 10.659 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.467 9.648 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.958 10.649 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.720 8.914 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.940 9.490 3.222 1.00 0.00 H new ATOM 536 N ASN A 35 -6.166 -3.371 8.642 1.00 0.00 N ATOM 537 CA ASN A 35 -6.794 -3.914 7.460 1.00 0.00 C ATOM 538 C ASN A 35 -6.598 -3.032 6.223 1.00 0.00 C ATOM 539 O ASN A 35 -6.795 -3.506 5.116 1.00 0.00 O ATOM 540 CB ASN A 35 -8.286 -4.212 7.655 1.00 0.00 C ATOM 541 CG ASN A 35 -8.577 -5.584 8.285 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.751 -6.498 8.272 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.827 -5.703 8.732 1.00 0.00 N ATOM 0 HA ASN A 35 -6.282 -4.861 7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.721 -3.436 8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.786 -4.155 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.156 -6.598 9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.455 -4.899 8.711 1.00 0.00 H new ATOM 550 N TRP A 36 -6.200 -1.753 6.441 1.00 0.00 N ATOM 551 CA TRP A 36 -5.997 -0.788 5.350 1.00 0.00 C ATOM 552 C TRP A 36 -4.680 -0.020 5.609 1.00 0.00 C ATOM 553 O TRP A 36 -4.139 -0.075 6.705 1.00 0.00 O ATOM 554 CB TRP A 36 -7.208 0.186 5.244 1.00 0.00 C ATOM 555 CG TRP A 36 -8.465 -0.600 4.941 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.174 -1.415 5.847 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.063 -0.799 3.636 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.123 -2.100 5.158 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.089 -1.757 3.814 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.838 -0.264 2.387 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.833 -2.187 2.750 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.604 -0.692 1.300 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.605 -1.655 1.475 1.00 0.00 C ATOM 0 H TRP A 36 -6.015 -1.373 7.369 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.925 -1.315 4.398 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.327 0.737 6.177 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.029 0.922 4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.993 -1.483 6.910 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.770 -2.772 5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.072 0.484 2.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.597 -2.937 2.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.423 -0.278 0.319 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.196 -1.985 0.634 1.00 0.00 H new ATOM 574 N TYR A 37 -4.182 0.654 4.541 1.00 0.00 N ATOM 575 CA TYR A 37 -2.949 1.460 4.584 1.00 0.00 C ATOM 576 C TYR A 37 -3.177 2.774 3.819 1.00 0.00 C ATOM 577 O TYR A 37 -3.931 2.789 2.863 1.00 0.00 O ATOM 578 CB TYR A 37 -1.804 0.722 3.835 1.00 0.00 C ATOM 579 CG TYR A 37 -1.349 -0.565 4.454 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.121 -0.646 5.817 1.00 0.00 C ATOM 581 CD2 TYR A 37 -1.080 -1.664 3.654 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.574 -1.785 6.386 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.528 -2.816 4.193 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.208 -2.876 5.558 1.00 0.00 C ATOM 585 OH TYR A 37 0.532 -3.983 5.995 1.00 0.00 O ATOM 0 H TYR A 37 -4.631 0.649 3.625 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.692 1.633 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.133 0.518 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.948 1.393 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.374 0.193 6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.303 -1.623 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.427 -1.841 7.455 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.343 -3.671 3.559 1.00 0.00 H new ATOM 0 HH TYR A 37 0.907 -4.452 5.221 1.00 0.00 H new ATOM 595 N LYS A 38 -2.535 3.866 4.303 1.00 0.00 N ATOM 596 CA LYS A 38 -2.632 5.140 3.594 1.00 0.00 C ATOM 597 C LYS A 38 -1.303 5.258 2.834 1.00 0.00 C ATOM 598 O LYS A 38 -0.261 5.366 3.470 1.00 0.00 O ATOM 599 CB LYS A 38 -2.854 6.279 4.586 1.00 0.00 C ATOM 600 CG LYS A 38 -3.352 7.557 3.882 1.00 0.00 C ATOM 601 CD LYS A 38 -2.864 8.831 4.572 1.00 0.00 C ATOM 602 CE LYS A 38 -3.806 9.311 5.677 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.055 8.271 6.669 1.00 0.00 N ATOM 0 H LYS A 38 -1.968 3.881 5.150 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.476 5.193 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.580 5.971 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.923 6.492 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.011 7.554 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.442 7.554 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.876 8.652 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.753 9.620 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.376 10.184 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.752 9.626 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.479 8.696 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.707 7.563 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.157 7.811 6.923 1.00 0.00 H new ATOM 617 N ALA A 39 -1.374 5.247 1.481 1.00 0.00 N ATOM 618 CA ALA A 39 -0.129 5.288 0.704 1.00 0.00 C ATOM 619 C ALA A 39 -0.243 6.189 -0.521 1.00 0.00 C ATOM 620 O ALA A 39 -1.314 6.670 -0.858 1.00 0.00 O ATOM 621 CB ALA A 39 0.218 3.859 0.250 1.00 0.00 C ATOM 0 H ALA A 39 -2.235 5.212 0.935 1.00 0.00 H new ATOM 0 HA ALA A 39 0.653 5.698 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.142 3.875 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.349 3.221 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.590 3.467 -0.367 1.00 0.00 H new ATOM 627 N GLU A 40 0.936 6.382 -1.164 1.00 0.00 N ATOM 628 CA GLU A 40 1.010 7.249 -2.329 1.00 0.00 C ATOM 629 C GLU A 40 1.224 6.451 -3.619 1.00 0.00 C ATOM 630 O GLU A 40 2.098 5.598 -3.736 1.00 0.00 O ATOM 631 CB GLU A 40 2.174 8.221 -2.129 1.00 0.00 C ATOM 632 CG GLU A 40 2.334 9.228 -3.283 1.00 0.00 C ATOM 633 CD GLU A 40 3.487 10.198 -2.986 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.360 11.004 -2.066 1.00 0.00 O ATOM 635 OE2 GLU A 40 4.508 10.133 -3.670 1.00 0.00 O ATOM 0 H GLU A 40 1.820 5.953 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 40 0.066 7.784 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.026 8.767 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.098 7.653 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.527 8.696 -4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.407 9.785 -3.420 1.00 0.00 H new ATOM 642 N LEU A 41 0.345 6.826 -4.549 1.00 0.00 N ATOM 643 CA LEU A 41 0.285 6.307 -5.900 1.00 0.00 C ATOM 644 C LEU A 41 -0.505 7.133 -6.876 1.00 0.00 C ATOM 645 O LEU A 41 -1.564 7.674 -6.566 1.00 0.00 O ATOM 646 CB LEU A 41 -0.511 4.997 -5.989 1.00 0.00 C ATOM 647 CG LEU A 41 0.196 3.686 -5.779 1.00 0.00 C ATOM 648 CD1 LEU A 41 -0.901 2.603 -5.801 1.00 0.00 C ATOM 649 CD2 LEU A 41 1.097 3.476 -7.013 1.00 0.00 C ATOM 0 H LEU A 41 -0.371 7.529 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 41 1.347 6.249 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.317 5.054 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.976 4.963 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 41 0.774 3.654 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.448 1.623 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.618 2.795 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.414 2.624 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.637 2.534 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.482 3.448 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.810 4.297 -7.087 1.00 0.00 H new ATOM 661 N ASN A 42 0.030 7.072 -8.123 1.00 0.00 N ATOM 662 CA ASN A 42 -0.738 7.617 -9.232 1.00 0.00 C ATOM 663 C ASN A 42 -1.128 9.102 -9.085 1.00 0.00 C ATOM 664 O ASN A 42 -2.160 9.529 -9.585 1.00 0.00 O ATOM 665 CB ASN A 42 -1.940 6.629 -9.359 1.00 0.00 C ATOM 666 CG ASN A 42 -2.157 6.134 -10.775 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.707 6.803 -11.636 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.680 4.888 -10.941 1.00 0.00 N ATOM 0 H ASN A 42 0.938 6.672 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.153 7.670 -10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.771 5.774 -8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.847 7.123 -9.010 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.764 4.426 -11.847 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.234 4.405 -10.161 1.00 0.00 H new ATOM 675 N GLY A 43 -0.267 9.847 -8.352 1.00 0.00 N ATOM 676 CA GLY A 43 -0.505 11.271 -8.107 1.00 0.00 C ATOM 677 C GLY A 43 -1.657 11.572 -7.127 1.00 0.00 C ATOM 678 O GLY A 43 -2.234 12.653 -7.135 1.00 0.00 O ATOM 0 H GLY A 43 0.586 9.482 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.411 11.717 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.718 11.759 -9.058 1.00 0.00 H new ATOM 682 N LYS A 44 -1.966 10.538 -6.316 1.00 0.00 N ATOM 683 CA LYS A 44 -3.003 10.543 -5.301 1.00 0.00 C ATOM 684 C LYS A 44 -2.458 9.840 -4.044 1.00 0.00 C ATOM 685 O LYS A 44 -1.420 9.192 -4.059 1.00 0.00 O ATOM 686 CB LYS A 44 -4.255 9.831 -5.840 1.00 0.00 C ATOM 687 CG LYS A 44 -4.891 10.594 -7.009 1.00 0.00 C ATOM 688 CD LYS A 44 -6.190 9.946 -7.505 1.00 0.00 C ATOM 689 CE LYS A 44 -7.054 10.923 -8.318 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.372 10.439 -9.657 1.00 0.00 N ATOM 0 H LYS A 44 -1.471 9.648 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.284 11.564 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.988 8.825 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.985 9.723 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.097 11.619 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.179 10.647 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.949 9.079 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.762 9.583 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.982 11.112 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.533 11.877 -8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.956 11.144 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.492 10.285 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.896 9.543 -9.587 1.00 0.00 H new ATOM 704 N ASP A 45 -3.265 9.993 -2.980 1.00 0.00 N ATOM 705 CA ASP A 45 -2.962 9.407 -1.679 1.00 0.00 C ATOM 706 C ASP A 45 -4.319 8.940 -1.097 1.00 0.00 C ATOM 707 O ASP A 45 -5.290 9.688 -1.094 1.00 0.00 O ATOM 708 CB ASP A 45 -2.349 10.496 -0.778 1.00 0.00 C ATOM 709 CG ASP A 45 -1.947 9.985 0.625 1.00 0.00 C ATOM 710 OD1 ASP A 45 -1.363 8.909 0.736 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.232 10.679 1.600 1.00 0.00 O ATOM 0 H ASP A 45 -4.136 10.523 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.257 8.578 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.469 10.910 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.065 11.310 -0.667 1.00 0.00 H new ATOM 716 N GLY A 46 -4.341 7.684 -0.618 1.00 0.00 N ATOM 717 CA GLY A 46 -5.610 7.169 -0.084 1.00 0.00 C ATOM 718 C GLY A 46 -5.470 5.781 0.539 1.00 0.00 C ATOM 719 O GLY A 46 -4.397 5.193 0.563 1.00 0.00 O ATOM 0 H GLY A 46 -3.548 7.043 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.991 7.862 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.347 7.130 -0.886 1.00 0.00 H new ATOM 723 N PHE A 47 -6.634 5.287 1.020 1.00 0.00 N ATOM 724 CA PHE A 47 -6.684 3.971 1.656 1.00 0.00 C ATOM 725 C PHE A 47 -6.678 2.840 0.612 1.00 0.00 C ATOM 726 O PHE A 47 -7.234 2.950 -0.473 1.00 0.00 O ATOM 727 CB PHE A 47 -7.935 3.844 2.549 1.00 0.00 C ATOM 728 CG PHE A 47 -7.887 4.844 3.677 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.074 4.624 4.790 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.656 6.004 3.622 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.028 5.562 5.825 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.602 6.942 4.651 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.788 6.727 5.757 1.00 0.00 C ATOM 0 H PHE A 47 -7.528 5.776 0.977 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.791 3.875 2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.832 4.005 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.998 2.834 2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.478 3.725 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.301 6.178 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.398 5.382 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.196 7.842 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.745 7.455 6.554 1.00 0.00 H new ATOM 743 N ILE A 48 -6.000 1.752 1.037 1.00 0.00 N ATOM 744 CA ILE A 48 -5.873 0.523 0.252 1.00 0.00 C ATOM 745 C ILE A 48 -5.882 -0.672 1.215 1.00 0.00 C ATOM 746 O ILE A 48 -5.336 -0.553 2.300 1.00 0.00 O ATOM 747 CB ILE A 48 -4.570 0.566 -0.555 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.346 0.782 0.356 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.668 1.646 -1.645 1.00 0.00 C ATOM 750 CD1 ILE A 48 -2.023 0.811 -0.388 1.00 0.00 C ATOM 0 H ILE A 48 -5.526 1.710 1.939 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.704 0.425 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.429 -0.400 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.469 1.721 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.315 -0.013 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.740 1.672 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.498 1.415 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.836 2.618 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.210 0.967 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.876 -0.137 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.032 1.624 -1.114 1.00 0.00 H new ATOM 762 N PRO A 49 -6.417 -1.861 0.806 1.00 0.00 N ATOM 763 CA PRO A 49 -6.430 -2.988 1.738 1.00 0.00 C ATOM 764 C PRO A 49 -5.091 -3.705 1.874 1.00 0.00 C ATOM 765 O PRO A 49 -4.434 -3.992 0.880 1.00 0.00 O ATOM 766 CB PRO A 49 -7.450 -3.965 1.200 1.00 0.00 C ATOM 767 CG PRO A 49 -7.734 -3.535 -0.243 1.00 0.00 C ATOM 768 CD PRO A 49 -7.021 -2.205 -0.496 1.00 0.00 C ATOM 0 HA PRO A 49 -6.663 -2.607 2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.068 -4.985 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.361 -3.946 1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.382 -4.294 -0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.807 -3.427 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.263 -2.302 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.719 -1.436 -0.826 1.00 0.00 H new ATOM 776 N LYS A 50 -4.804 -4.088 3.149 1.00 0.00 N ATOM 777 CA LYS A 50 -3.523 -4.750 3.352 1.00 0.00 C ATOM 778 C LYS A 50 -3.473 -6.157 2.754 1.00 0.00 C ATOM 779 O LYS A 50 -2.424 -6.504 2.241 1.00 0.00 O ATOM 780 CB LYS A 50 -3.081 -4.841 4.811 1.00 0.00 C ATOM 781 CG LYS A 50 -4.073 -5.545 5.714 1.00 0.00 C ATOM 782 CD LYS A 50 -3.604 -5.648 7.175 1.00 0.00 C ATOM 783 CE LYS A 50 -2.837 -6.949 7.449 1.00 0.00 C ATOM 784 NZ LYS A 50 -3.783 -8.051 7.613 1.00 0.00 N ATOM 0 H LYS A 50 -5.393 -3.958 3.972 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.829 -4.097 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.127 -5.366 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.910 -3.834 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.023 -5.012 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.256 -6.548 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.966 -4.796 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.468 -5.592 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.155 -7.161 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.229 -6.842 8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.268 -8.914 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.469 -7.811 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.286 -8.213 6.717 1.00 0.00 H new ATOM 798 N ASN A 51 -4.576 -6.959 2.767 1.00 0.00 N ATOM 799 CA ASN A 51 -4.366 -8.290 2.163 1.00 0.00 C ATOM 800 C ASN A 51 -4.098 -8.270 0.630 1.00 0.00 C ATOM 801 O ASN A 51 -3.644 -9.267 0.085 1.00 0.00 O ATOM 802 CB ASN A 51 -5.406 -9.348 2.569 1.00 0.00 C ATOM 803 CG ASN A 51 -6.871 -8.919 2.580 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.466 -8.751 3.634 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.433 -8.776 1.378 1.00 0.00 N ATOM 0 H ASN A 51 -5.501 -6.743 3.138 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.430 -8.618 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.308 -10.196 1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.152 -9.706 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.415 -8.512 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.880 -8.931 0.535 1.00 0.00 H new ATOM 812 N TYR A 52 -4.291 -7.084 -0.004 1.00 0.00 N ATOM 813 CA TYR A 52 -4.041 -6.928 -1.444 1.00 0.00 C ATOM 814 C TYR A 52 -2.599 -6.439 -1.722 1.00 0.00 C ATOM 815 O TYR A 52 -2.217 -6.444 -2.881 1.00 0.00 O ATOM 816 CB TYR A 52 -5.055 -5.947 -2.075 1.00 0.00 C ATOM 817 CG TYR A 52 -6.325 -6.626 -2.522 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.122 -7.339 -1.638 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.730 -6.548 -3.850 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.265 -8.014 -2.070 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.886 -7.190 -4.291 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.652 -7.973 -3.425 1.00 0.00 C ATOM 823 OH TYR A 52 -9.666 -8.765 -3.992 1.00 0.00 O ATOM 0 H TYR A 52 -4.615 -6.236 0.461 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.164 -7.910 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.300 -5.169 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.592 -5.453 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.852 -7.373 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.138 -5.980 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.858 -8.572 -1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.194 -7.080 -5.320 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.043 -9.354 -3.306 1.00 0.00 H new ATOM 833 N ILE A 53 -1.848 -5.971 -0.687 1.00 0.00 N ATOM 834 CA ILE A 53 -0.444 -5.534 -0.912 1.00 0.00 C ATOM 835 C ILE A 53 0.478 -6.084 0.200 1.00 0.00 C ATOM 836 O ILE A 53 0.046 -6.305 1.321 1.00 0.00 O ATOM 837 CB ILE A 53 -0.314 -4.005 -1.142 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.944 -3.286 -0.581 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.634 -3.245 -0.906 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.581 -2.345 0.502 1.00 0.00 C ATOM 0 H ILE A 53 -2.176 -5.889 0.275 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.102 -5.970 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.103 -3.957 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.651 -4.025 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.446 -2.746 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.478 -2.181 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.396 -3.618 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.963 -3.398 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.481 -1.856 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.107 -1.593 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.101 -2.892 1.314 1.00 0.00 H new ATOM 852 N GLU A 54 1.786 -6.215 -0.151 1.00 0.00 N ATOM 853 CA GLU A 54 2.779 -6.679 0.827 1.00 0.00 C ATOM 854 C GLU A 54 3.758 -5.509 1.050 1.00 0.00 C ATOM 855 O GLU A 54 4.027 -4.706 0.172 1.00 0.00 O ATOM 856 CB GLU A 54 3.565 -7.891 0.288 1.00 0.00 C ATOM 857 CG GLU A 54 4.710 -8.309 1.244 1.00 0.00 C ATOM 858 CD GLU A 54 5.405 -9.630 0.873 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.732 -10.563 0.438 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.624 -9.710 1.029 1.00 0.00 O ATOM 0 H GLU A 54 2.159 -6.010 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 54 2.283 -6.984 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.885 -8.731 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.979 -7.649 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.456 -7.515 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.309 -8.396 2.254 1.00 0.00 H new ATOM 867 N MET A 55 4.236 -5.451 2.307 1.00 0.00 N ATOM 868 CA MET A 55 5.144 -4.399 2.751 1.00 0.00 C ATOM 869 C MET A 55 6.605 -4.733 2.433 1.00 0.00 C ATOM 870 O MET A 55 6.994 -5.888 2.310 1.00 0.00 O ATOM 871 CB MET A 55 4.984 -4.156 4.255 1.00 0.00 C ATOM 872 CG MET A 55 3.532 -4.245 4.759 1.00 0.00 C ATOM 873 SD MET A 55 3.067 -5.951 5.128 1.00 0.00 S ATOM 874 CE MET A 55 4.278 -6.298 6.423 1.00 0.00 C ATOM 0 H MET A 55 4.001 -6.130 3.031 1.00 0.00 H new ATOM 0 HA MET A 55 4.881 -3.493 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.589 -4.884 4.795 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.380 -3.170 4.496 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.418 -3.633 5.654 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.858 -3.837 4.006 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.803 -6.867 7.223 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.101 -6.878 6.005 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.661 -5.360 6.824 1.00 0.00 H new ATOM 943 N PRO B 2 -8.399 -12.775 -6.534 1.00 0.00 N ATOM 944 CA PRO B 2 -7.856 -12.137 -5.353 1.00 0.00 C ATOM 945 C PRO B 2 -8.721 -12.319 -4.079 1.00 0.00 C ATOM 946 O PRO B 2 -9.912 -12.613 -4.134 1.00 0.00 O ATOM 947 CB PRO B 2 -7.678 -10.671 -5.742 1.00 0.00 C ATOM 948 CG PRO B 2 -7.928 -10.533 -7.234 1.00 0.00 C ATOM 949 CD PRO B 2 -8.575 -11.850 -7.667 1.00 0.00 C ATOM 0 HA PRO B 2 -6.913 -12.602 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.372 -10.044 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.672 -10.333 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.582 -9.687 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.997 -10.358 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.631 -11.710 -7.897 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.102 -12.241 -8.568 1.00 0.00 H new ATOM 957 N PRO B 3 -8.046 -12.121 -2.917 1.00 0.00 N ATOM 958 CA PRO B 3 -8.703 -12.241 -1.614 1.00 0.00 C ATOM 959 C PRO B 3 -9.972 -11.396 -1.387 1.00 0.00 C ATOM 960 O PRO B 3 -10.178 -10.359 -1.998 1.00 0.00 O ATOM 961 CB PRO B 3 -7.672 -11.627 -0.643 1.00 0.00 C ATOM 962 CG PRO B 3 -6.311 -11.611 -1.350 1.00 0.00 C ATOM 963 CD PRO B 3 -6.595 -11.871 -2.826 1.00 0.00 C ATOM 0 HA PRO B 3 -9.000 -13.283 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.968 -10.616 -0.361 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.618 -12.211 0.276 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.812 -10.652 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.650 -12.375 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.306 -11.015 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.027 -12.728 -3.189 1.00 0.00 H new ATOM 971 N PRO B 4 -10.794 -11.841 -0.399 1.00 0.00 N ATOM 972 CA PRO B 4 -11.962 -11.052 0.015 1.00 0.00 C ATOM 973 C PRO B 4 -11.378 -9.835 0.744 1.00 0.00 C ATOM 974 O PRO B 4 -10.618 -9.979 1.695 1.00 0.00 O ATOM 975 CB PRO B 4 -12.727 -11.967 0.988 1.00 0.00 C ATOM 976 CG PRO B 4 -11.815 -13.172 1.294 1.00 0.00 C ATOM 977 CD PRO B 4 -10.616 -13.090 0.345 1.00 0.00 C ATOM 0 HA PRO B 4 -12.622 -10.723 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -12.977 -11.431 1.904 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.667 -12.298 0.546 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.485 -13.150 2.333 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.355 -14.108 1.151 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.677 -13.088 0.898 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.588 -13.947 -0.327 1.00 0.00 H new ATOM 985 N VAL B 5 -11.756 -8.644 0.232 1.00 0.00 N ATOM 986 CA VAL B 5 -11.227 -7.416 0.818 1.00 0.00 C ATOM 987 C VAL B 5 -11.714 -7.299 2.275 1.00 0.00 C ATOM 988 O VAL B 5 -12.778 -7.808 2.610 1.00 0.00 O ATOM 989 CB VAL B 5 -11.655 -6.197 0.023 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.845 -4.948 0.355 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.515 -6.354 -1.463 1.00 0.00 C ATOM 0 H VAL B 5 -12.397 -8.517 -0.551 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.138 -7.459 0.795 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.702 -6.094 0.310 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.201 -4.113 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.962 -4.709 1.412 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.792 -5.129 0.138 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.842 -5.439 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.472 -6.548 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.130 -7.188 -1.800 1.00 0.00 H new ATOM 1001 N PRO B 6 -10.884 -6.676 3.153 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.279 -6.507 4.535 1.00 0.00 C ATOM 1003 C PRO B 6 -12.525 -5.642 4.731 1.00 0.00 C ATOM 1004 O PRO B 6 -12.802 -4.733 3.955 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.110 -5.753 5.181 1.00 0.00 C ATOM 1006 CG PRO B 6 -8.913 -5.876 4.246 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.500 -6.273 2.905 1.00 0.00 C ATOM 0 HA PRO B 6 -11.508 -7.485 4.957 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.369 -4.706 5.337 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -9.877 -6.173 6.160 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.369 -4.934 4.175 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.207 -6.625 4.605 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.460 -5.440 2.203 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -8.933 -7.091 2.461 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.227 -5.917 5.867 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.386 -5.110 6.217 1.00 0.00 C ATOM 1017 C PRO B 7 -13.852 -3.718 6.613 1.00 0.00 C ATOM 1018 O PRO B 7 -13.179 -3.547 7.620 1.00 0.00 O ATOM 1019 CB PRO B 7 -14.998 -5.804 7.444 1.00 0.00 C ATOM 1020 CG PRO B 7 -13.964 -6.833 7.935 1.00 0.00 C ATOM 1021 CD PRO B 7 -12.925 -6.983 6.825 1.00 0.00 C ATOM 0 HA PRO B 7 -15.118 -5.008 5.416 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.223 -5.079 8.226 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.937 -6.293 7.183 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.495 -6.498 8.860 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.442 -7.789 8.148 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -11.913 -6.884 7.217 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -12.990 -7.964 6.355 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.207 -2.754 5.748 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.807 -1.366 5.922 1.00 0.00 C ATOM 1031 C ARG B 8 -14.879 -0.705 6.792 1.00 0.00 C ATOM 1032 O ARG B 8 -16.040 -1.090 6.739 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.675 -0.739 4.520 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.596 0.798 4.459 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.914 1.569 4.201 1.00 0.00 C ATOM 1036 NE ARG B 8 -16.114 0.730 4.128 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.658 0.290 2.976 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -16.045 0.465 1.813 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.828 -0.337 3.012 1.00 0.00 N ATOM 0 H ARG B 8 -14.775 -2.922 4.918 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.845 -1.241 6.420 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.781 -1.146 4.047 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -14.527 -1.061 3.921 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.178 1.152 5.401 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -12.889 1.068 3.675 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.050 2.304 4.994 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.818 2.122 3.267 1.00 0.00 H new ATOM 0 HE ARG B 8 -16.565 0.463 5.003 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -15.143 0.941 1.778 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -16.475 0.124 0.953 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.303 -0.480 3.903 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.252 -0.676 2.148 1.00 0.00 H new