USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot 62:sc= 1.25 USER MOD Set 1.2: A 80 TYR OH : rot -149:sc= 0.0939 USER MOD Set 2.1: A 26 THR OG1 : rot -54:sc= 1.24 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4.2!) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.617 (180deg=-0.813) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.565 K(o=-0.57,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.0162 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -129:sc=-0.00494 (180deg=-0.582) USER MOD Single : A 28 THR OG1 : rot 27:sc= 0.167 USER MOD Single : A 29 CYS SG : rot 10:sc= -0.208 USER MOD Single : A 34 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.743) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 1.89 (180deg=1.79) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.473 USER MOD Single : A 54 HIS : no HD1:sc= -0.0612 K(o=-0.061,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0904 X(o=-0.09,f=-0.42) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.723 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.651 USER MOD Single : A 66 SER OG : rot 33:sc= 0.0608 USER MOD Single : A 69 THR OG1 : rot -89:sc= 0.00662 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 110:sc= 0 USER MOD Single : A 73 THR OG1 : rot -55:sc= 0.849 USER MOD Single : A 79 ASN : amide:sc= -0.0371 K(o=-0.037,f=-2.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 146:sc= -0.0147 (180deg=-0.796) USER MOD Single : A 86 ASN : amide:sc= -0.664 K(o=-0.66,f=-6!) USER MOD Single : A 88 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.16) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0347 (180deg=-0.349) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.824 9.924 2.685 1.00 0.00 N ATOM 67 CA ALA A 7 -3.243 10.249 2.742 1.00 0.00 C ATOM 68 C ALA A 7 -3.539 11.220 3.877 1.00 0.00 C ATOM 69 O ALA A 7 -3.039 11.060 4.990 1.00 0.00 O ATOM 70 CB ALA A 7 -4.073 8.984 2.894 1.00 0.00 C ATOM 0 HA ALA A 7 -3.515 10.734 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.130 9.245 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.894 8.327 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.790 8.472 3.813 1.00 0.00 H new ATOM 76 N PRO A 8 -4.357 12.227 3.591 1.00 0.00 N ATOM 77 CA PRO A 8 -4.674 13.260 4.569 1.00 0.00 C ATOM 78 C PRO A 8 -5.575 12.715 5.671 1.00 0.00 C ATOM 79 O PRO A 8 -6.394 11.825 5.434 1.00 0.00 O ATOM 80 CB PRO A 8 -5.364 14.354 3.747 1.00 0.00 C ATOM 81 CG PRO A 8 -5.936 13.633 2.575 1.00 0.00 C ATOM 82 CD PRO A 8 -4.951 12.538 2.260 1.00 0.00 C ATOM 0 HA PRO A 8 -3.792 13.637 5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.142 14.854 4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.656 15.122 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.919 13.223 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.063 14.303 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.441 11.668 1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.195 12.868 1.548 1.00 0.00 H new ATOM 90 N PHE A 9 -5.420 13.250 6.876 1.00 0.00 N ATOM 91 CA PHE A 9 -6.300 12.912 7.985 1.00 0.00 C ATOM 92 C PHE A 9 -6.372 14.046 8.998 1.00 0.00 C ATOM 93 O PHE A 9 -5.449 14.853 9.107 1.00 0.00 O ATOM 94 CB PHE A 9 -5.830 11.626 8.667 1.00 0.00 C ATOM 95 CG PHE A 9 -4.472 11.737 9.300 1.00 0.00 C ATOM 96 CD1 PHE A 9 -3.325 11.474 8.568 1.00 0.00 C ATOM 97 CD2 PHE A 9 -4.341 12.106 10.631 1.00 0.00 C ATOM 98 CE1 PHE A 9 -2.076 11.575 9.149 1.00 0.00 C ATOM 99 CE2 PHE A 9 -3.092 12.209 11.215 1.00 0.00 C ATOM 100 CZ PHE A 9 -1.960 11.943 10.474 1.00 0.00 C ATOM 0 H PHE A 9 -4.689 13.922 7.109 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.300 12.754 7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.555 11.345 9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.813 10.821 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.409 11.186 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.224 12.315 11.217 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.191 11.366 8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.003 12.498 12.252 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.984 12.023 10.930 1.00 0.00 H new ATOM 110 N PHE A 10 -7.471 14.100 9.744 1.00 0.00 N ATOM 111 CA PHE A 10 -7.740 15.224 10.636 1.00 0.00 C ATOM 112 C PHE A 10 -7.027 15.046 11.971 1.00 0.00 C ATOM 113 O PHE A 10 -7.544 14.401 12.882 1.00 0.00 O ATOM 114 CB PHE A 10 -9.245 15.382 10.859 1.00 0.00 C ATOM 115 CG PHE A 10 -9.992 15.846 9.642 1.00 0.00 C ATOM 116 CD1 PHE A 10 -10.076 17.195 9.333 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.613 14.934 8.802 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.765 17.624 8.216 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.302 15.359 7.682 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.377 16.704 7.388 1.00 0.00 C ATOM 0 H PHE A 10 -8.191 13.378 9.749 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.357 16.128 10.162 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.657 14.427 11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.410 16.093 11.668 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.596 17.920 9.974 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.558 13.879 9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.825 18.678 7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.782 14.638 7.037 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.913 17.037 6.512 1.00 0.00 H new ATOM 130 N GLU A 11 -5.834 15.624 12.080 1.00 0.00 N ATOM 131 CA GLU A 11 -5.143 15.719 13.359 1.00 0.00 C ATOM 132 C GLU A 11 -5.995 16.439 14.396 1.00 0.00 C ATOM 133 O GLU A 11 -5.990 16.086 15.574 1.00 0.00 O ATOM 134 CB GLU A 11 -3.802 16.435 13.192 1.00 0.00 C ATOM 135 CG GLU A 11 -2.956 16.491 14.456 1.00 0.00 C ATOM 136 CD GLU A 11 -1.606 17.093 14.184 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.349 17.445 13.058 1.00 0.00 O ATOM 138 OE2 GLU A 11 -0.871 17.302 15.121 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.326 16.034 11.296 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.961 14.705 13.714 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.232 15.934 12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.988 17.453 12.849 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.472 17.078 15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.834 15.486 14.859 1.00 0.00 H new ATOM 145 N MET A 12 -6.728 17.454 13.947 1.00 0.00 N ATOM 146 CA MET A 12 -7.696 18.136 14.798 1.00 0.00 C ATOM 147 C MET A 12 -9.044 18.268 14.103 1.00 0.00 C ATOM 148 O MET A 12 -9.141 18.841 13.019 1.00 0.00 O ATOM 149 CB MET A 12 -7.170 19.513 15.197 1.00 0.00 C ATOM 150 CG MET A 12 -8.125 20.326 16.060 1.00 0.00 C ATOM 151 SD MET A 12 -7.402 21.881 16.621 1.00 0.00 S ATOM 152 CE MET A 12 -7.211 22.746 15.065 1.00 0.00 C ATOM 0 H MET A 12 -6.669 17.822 12.998 1.00 0.00 H new ATOM 0 HA MET A 12 -7.838 17.535 15.696 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.231 19.387 15.735 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.946 20.079 14.293 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.032 20.535 15.493 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.420 19.733 16.926 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.909 23.776 15.256 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.449 22.250 14.464 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.159 22.740 14.527 1.00 0.00 H new ATOM 162 N LYS A 13 -10.086 17.737 14.740 1.00 0.00 N ATOM 163 CA LYS A 13 -11.404 17.667 14.124 1.00 0.00 C ATOM 164 C LYS A 13 -12.324 18.756 14.663 1.00 0.00 C ATOM 165 O LYS A 13 -12.035 19.374 15.690 1.00 0.00 O ATOM 166 CB LYS A 13 -12.028 16.290 14.353 1.00 0.00 C ATOM 167 CG LYS A 13 -11.270 15.140 13.701 1.00 0.00 C ATOM 168 CD LYS A 13 -11.954 13.807 13.966 1.00 0.00 C ATOM 169 CE LYS A 13 -11.244 12.668 13.249 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.920 11.362 13.472 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.040 17.350 15.682 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.280 17.827 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.090 16.106 15.426 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.049 16.299 13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.202 15.309 12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.250 15.110 14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.970 13.611 15.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.992 13.856 13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.207 12.879 12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.213 12.607 13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.404 10.613 12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.933 11.147 14.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.896 11.411 13.116 1.00 0.00 H new ATOM 184 N LEU A 14 -13.432 18.989 13.967 1.00 0.00 N ATOM 185 CA LEU A 14 -14.407 19.983 14.392 1.00 0.00 C ATOM 186 C LEU A 14 -15.371 19.404 15.418 1.00 0.00 C ATOM 187 O LEU A 14 -15.592 18.194 15.466 1.00 0.00 O ATOM 188 CB LEU A 14 -15.177 20.521 13.179 1.00 0.00 C ATOM 189 CG LEU A 14 -14.328 21.276 12.149 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.175 21.633 10.934 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.748 22.528 12.788 1.00 0.00 C ATOM 0 H LEU A 14 -13.676 18.501 13.105 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.870 20.806 14.864 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.667 19.685 12.680 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.964 21.186 13.534 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.508 20.639 11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.563 22.169 10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.562 20.721 10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.007 22.265 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.145 23.064 12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.559 23.171 13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.124 22.248 13.637 1.00 0.00 H new ATOM 203 N LYS A 15 -15.945 20.276 16.242 1.00 0.00 N ATOM 204 CA LYS A 15 -16.948 19.865 17.216 1.00 0.00 C ATOM 205 C LYS A 15 -18.304 20.484 16.908 1.00 0.00 C ATOM 206 O LYS A 15 -18.413 21.367 16.056 1.00 0.00 O ATOM 207 CB LYS A 15 -16.507 20.243 18.630 1.00 0.00 C ATOM 208 CG LYS A 15 -15.221 19.568 19.091 1.00 0.00 C ATOM 209 CD LYS A 15 -14.848 19.994 20.503 1.00 0.00 C ATOM 210 CE LYS A 15 -13.589 19.284 20.981 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.209 19.694 22.360 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.731 21.273 16.254 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.047 18.781 17.153 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.373 21.324 18.679 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.306 19.989 19.327 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.343 18.485 19.056 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.410 19.820 18.407 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.692 21.072 20.531 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.672 19.773 21.181 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.748 18.206 20.954 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.768 19.502 20.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.347 19.188 22.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.032 20.719 22.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.982 19.462 23.016 1.00 0.00 H new ATOM 225 N HIS A 16 -19.335 20.017 17.606 1.00 0.00 N ATOM 226 CA HIS A 16 -20.661 20.610 17.498 1.00 0.00 C ATOM 227 C HIS A 16 -20.679 22.024 18.066 1.00 0.00 C ATOM 228 O HIS A 16 -20.550 22.217 19.276 1.00 0.00 O ATOM 229 CB HIS A 16 -21.701 19.744 18.216 1.00 0.00 C ATOM 230 CG HIS A 16 -23.106 20.238 18.061 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.178 19.643 18.693 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.616 21.269 17.347 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.287 20.288 18.373 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.972 21.278 17.559 1.00 0.00 N ATOM 0 H HIS A 16 -19.276 19.230 18.252 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.915 20.661 16.439 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.639 18.725 17.833 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.455 19.701 19.277 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.124 18.833 19.310 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.060 21.956 16.727 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.281 20.046 18.719 1.00 0.00 H new ATOM 242 N TYR A 17 -20.839 23.009 17.191 1.00 0.00 N ATOM 243 CA TYR A 17 -20.769 24.409 17.588 1.00 0.00 C ATOM 244 C TYR A 17 -22.160 25.013 17.734 1.00 0.00 C ATOM 245 O TYR A 17 -23.083 24.650 17.005 1.00 0.00 O ATOM 246 CB TYR A 17 -19.952 25.212 16.573 1.00 0.00 C ATOM 247 CG TYR A 17 -18.541 24.702 16.381 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.619 24.754 17.417 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.134 24.171 15.166 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.329 24.291 17.248 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.847 23.703 14.985 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.946 23.766 16.029 1.00 0.00 C ATOM 253 OH TYR A 17 -14.662 23.304 15.855 1.00 0.00 O ATOM 0 H TYR A 17 -21.019 22.863 16.198 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.275 24.455 18.559 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.467 25.196 15.613 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.911 26.252 16.896 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.915 25.163 18.371 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.836 24.123 14.347 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.624 24.339 18.064 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.548 23.290 14.033 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.315 22.971 16.709 1.00 0.00 H new ATOM 263 N LYS A 18 -22.303 25.935 18.679 1.00 0.00 N ATOM 264 CA LYS A 18 -23.562 26.640 18.875 1.00 0.00 C ATOM 265 C LYS A 18 -23.334 28.133 19.077 1.00 0.00 C ATOM 266 O LYS A 18 -22.394 28.542 19.760 1.00 0.00 O ATOM 267 CB LYS A 18 -24.320 26.059 20.070 1.00 0.00 C ATOM 268 CG LYS A 18 -24.815 24.632 19.867 1.00 0.00 C ATOM 269 CD LYS A 18 -25.650 24.163 21.049 1.00 0.00 C ATOM 270 CE LYS A 18 -26.123 22.728 20.859 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.939 22.255 22.008 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.561 26.211 19.322 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.161 26.506 17.975 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.670 26.084 20.945 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.174 26.699 20.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.409 24.577 18.955 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.963 23.965 19.733 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.062 24.236 21.964 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.512 24.819 21.171 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.711 22.658 19.944 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.259 22.075 20.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.241 21.274 21.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.371 22.297 22.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.777 22.862 22.112 1.00 0.00 H new ATOM 285 N ILE A 19 -24.199 28.944 18.477 1.00 0.00 N ATOM 286 CA ILE A 19 -24.072 30.397 18.561 1.00 0.00 C ATOM 287 C ILE A 19 -25.440 31.068 18.531 1.00 0.00 C ATOM 288 O ILE A 19 -26.394 30.537 17.961 1.00 0.00 O ATOM 289 CB ILE A 19 -23.210 30.959 17.416 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.764 32.388 17.735 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.976 30.918 16.103 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.751 32.476 18.855 1.00 0.00 C ATOM 0 H ILE A 19 -24.995 28.621 17.927 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.581 30.616 19.509 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.322 30.336 17.314 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.338 32.835 16.837 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.639 32.981 18.002 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.351 31.319 15.305 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.245 29.888 15.871 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.882 31.518 16.191 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.484 33.519 19.023 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.180 32.060 19.767 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.859 31.912 18.584 1.00 0.00 H new ATOM 304 N PHE A 20 -25.529 32.241 19.150 1.00 0.00 N ATOM 305 CA PHE A 20 -26.729 33.062 19.065 1.00 0.00 C ATOM 306 C PHE A 20 -26.776 33.839 17.757 1.00 0.00 C ATOM 307 O PHE A 20 -25.743 34.267 17.240 1.00 0.00 O ATOM 308 CB PHE A 20 -26.802 34.025 20.251 1.00 0.00 C ATOM 309 CG PHE A 20 -27.173 33.362 21.547 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.498 33.089 21.850 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.197 33.009 22.467 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.842 32.480 23.042 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.536 32.398 23.660 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.859 32.134 23.947 1.00 0.00 C ATOM 0 H PHE A 20 -24.782 32.644 19.716 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.591 32.395 19.095 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.836 34.516 20.368 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.531 34.804 20.030 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.272 33.356 21.145 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.159 33.214 22.249 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.879 32.275 23.265 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.765 32.128 24.367 1.00 0.00 H new ATOM 0 HZ PHE A 20 -28.125 31.657 24.879 1.00 0.00 H new ATOM 324 N GLU A 21 -27.979 34.023 17.226 1.00 0.00 N ATOM 325 CA GLU A 21 -28.162 34.725 15.959 1.00 0.00 C ATOM 326 C GLU A 21 -27.489 36.093 15.990 1.00 0.00 C ATOM 327 O GLU A 21 -27.760 36.912 16.866 1.00 0.00 O ATOM 328 CB GLU A 21 -29.650 34.877 15.639 1.00 0.00 C ATOM 329 CG GLU A 21 -29.941 35.554 14.308 1.00 0.00 C ATOM 330 CD GLU A 21 -31.421 35.682 14.072 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.175 35.193 14.876 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.798 36.365 13.148 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.845 33.695 17.654 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.693 34.130 15.175 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.112 33.890 15.639 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.124 35.451 16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.481 36.542 14.292 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.490 34.979 13.499 1.00 0.00 H new ATOM 339 N GLY A 22 -26.606 36.334 15.024 1.00 0.00 N ATOM 340 CA GLY A 22 -26.023 37.654 14.830 1.00 0.00 C ATOM 341 C GLY A 22 -24.591 37.702 15.348 1.00 0.00 C ATOM 342 O GLY A 22 -23.827 38.608 15.007 1.00 0.00 O ATOM 0 H GLY A 22 -26.280 35.629 14.363 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.039 37.910 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.625 38.401 15.347 1.00 0.00 H new ATOM 346 N MET A 23 -24.229 36.727 16.174 1.00 0.00 N ATOM 347 CA MET A 23 -22.922 36.710 16.818 1.00 0.00 C ATOM 348 C MET A 23 -21.871 36.082 15.913 1.00 0.00 C ATOM 349 O MET A 23 -22.187 35.260 15.055 1.00 0.00 O ATOM 350 CB MET A 23 -22.996 35.956 18.144 1.00 0.00 C ATOM 351 CG MET A 23 -23.950 36.566 19.163 1.00 0.00 C ATOM 352 SD MET A 23 -23.455 38.224 19.673 1.00 0.00 S ATOM 353 CE MET A 23 -22.010 37.856 20.664 1.00 0.00 C ATOM 0 H MET A 23 -24.825 35.935 16.414 1.00 0.00 H new ATOM 0 HA MET A 23 -22.628 37.741 17.012 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.303 34.929 17.947 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.998 35.913 18.580 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.953 36.605 18.738 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.000 35.920 20.040 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.097 38.350 21.632 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.935 36.779 20.812 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.117 38.215 20.153 1.00 0.00 H new ATOM 363 N PRO A 24 -20.618 36.474 16.114 1.00 0.00 N ATOM 364 CA PRO A 24 -19.510 35.924 15.338 1.00 0.00 C ATOM 365 C PRO A 24 -19.165 34.512 15.793 1.00 0.00 C ATOM 366 O PRO A 24 -19.400 34.145 16.942 1.00 0.00 O ATOM 367 CB PRO A 24 -18.359 36.905 15.584 1.00 0.00 C ATOM 368 CG PRO A 24 -18.620 37.453 16.944 1.00 0.00 C ATOM 369 CD PRO A 24 -20.119 37.535 17.060 1.00 0.00 C ATOM 0 HA PRO A 24 -19.744 35.828 14.278 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.393 36.403 15.537 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.344 37.696 14.834 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.201 36.807 17.715 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.162 38.434 17.067 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.451 37.347 18.081 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.487 38.523 16.782 1.00 0.00 H new ATOM 377 N VAL A 25 -18.602 33.723 14.883 1.00 0.00 N ATOM 378 CA VAL A 25 -18.213 32.353 15.190 1.00 0.00 C ATOM 379 C VAL A 25 -16.822 32.040 14.648 1.00 0.00 C ATOM 380 O VAL A 25 -16.548 32.244 13.467 1.00 0.00 O ATOM 381 CB VAL A 25 -19.219 31.338 14.615 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.835 29.922 15.020 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.629 31.661 15.084 1.00 0.00 C ATOM 0 H VAL A 25 -18.405 34.011 13.925 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.204 32.265 16.276 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.194 31.406 13.527 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.556 29.217 14.606 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.841 29.691 14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.833 29.842 16.107 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.326 30.934 14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.669 31.620 16.173 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.904 32.661 14.748 1.00 0.00 H new ATOM 393 N THR A 26 -15.954 31.546 15.522 1.00 0.00 N ATOM 394 CA THR A 26 -14.590 31.199 15.131 1.00 0.00 C ATOM 395 C THR A 26 -14.291 29.733 15.424 1.00 0.00 C ATOM 396 O THR A 26 -14.449 29.273 16.554 1.00 0.00 O ATOM 397 CB THR A 26 -13.553 32.079 15.855 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.799 33.459 15.554 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.143 31.712 15.416 1.00 0.00 C ATOM 0 H THR A 26 -16.168 31.376 16.505 1.00 0.00 H new ATOM 0 HA THR A 26 -14.515 31.375 14.058 1.00 0.00 H new ATOM 0 HB THR A 26 -13.644 31.912 16.928 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.821 33.583 14.582 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.424 32.344 15.937 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.948 30.666 15.655 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.046 31.863 14.341 1.00 0.00 H new ATOM 407 N PHE A 27 -13.855 29.010 14.401 1.00 0.00 N ATOM 408 CA PHE A 27 -13.414 27.628 14.573 1.00 0.00 C ATOM 409 C PHE A 27 -12.406 27.237 13.498 1.00 0.00 C ATOM 410 O PHE A 27 -12.325 27.874 12.448 1.00 0.00 O ATOM 411 CB PHE A 27 -14.610 26.676 14.543 1.00 0.00 C ATOM 412 CG PHE A 27 -15.453 26.799 13.306 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.447 27.762 13.218 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.253 25.952 12.226 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.224 27.876 12.081 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.027 26.064 11.086 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.012 27.026 11.015 1.00 0.00 C ATOM 0 H PHE A 27 -13.796 29.355 13.443 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.926 27.551 15.545 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.248 25.651 14.624 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.234 26.864 15.417 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.616 28.431 14.049 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.483 25.196 12.276 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.996 28.629 12.027 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.860 25.399 10.252 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.618 27.114 10.125 1.00 0.00 H new ATOM 427 N THR A 28 -11.639 26.187 13.768 1.00 0.00 N ATOM 428 CA THR A 28 -10.528 25.806 12.905 1.00 0.00 C ATOM 429 C THR A 28 -10.295 24.301 12.940 1.00 0.00 C ATOM 430 O THR A 28 -10.649 23.631 13.909 1.00 0.00 O ATOM 431 CB THR A 28 -9.229 26.528 13.306 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.187 26.189 12.381 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.806 26.125 14.710 1.00 0.00 C ATOM 0 H THR A 28 -11.767 25.583 14.580 1.00 0.00 H new ATOM 0 HA THR A 28 -10.799 26.104 11.892 1.00 0.00 H new ATOM 0 HB THR A 28 -9.407 27.603 13.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.581 25.959 11.514 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.886 26.645 14.976 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.591 26.392 15.417 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.637 25.049 14.744 1.00 0.00 H new ATOM 441 N CYS A 29 -9.693 23.773 11.875 1.00 0.00 N ATOM 442 CA CYS A 29 -9.439 22.344 11.771 1.00 0.00 C ATOM 443 C CYS A 29 -8.084 22.071 11.136 1.00 0.00 C ATOM 444 O CYS A 29 -7.615 22.840 10.291 1.00 0.00 O ATOM 445 CB CYS A 29 -10.569 21.868 10.856 1.00 0.00 C ATOM 446 SG CYS A 29 -10.825 20.077 10.853 1.00 0.00 S ATOM 0 H CYS A 29 -9.373 24.317 11.074 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.416 21.841 12.738 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.496 22.355 11.160 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.357 22.194 9.838 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.116 19.536 11.799 1.00 0.00 H new ATOM 452 N ARG A 30 -7.449 20.976 11.542 1.00 0.00 N ATOM 453 CA ARG A 30 -6.084 20.679 11.130 1.00 0.00 C ATOM 454 C ARG A 30 -6.004 19.334 10.417 1.00 0.00 C ATOM 455 O ARG A 30 -6.371 18.302 10.979 1.00 0.00 O ATOM 456 CB ARG A 30 -5.107 20.755 12.293 1.00 0.00 C ATOM 457 CG ARG A 30 -3.651 20.523 11.921 1.00 0.00 C ATOM 458 CD ARG A 30 -2.710 20.574 13.070 1.00 0.00 C ATOM 459 NE ARG A 30 -1.339 20.219 12.741 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.417 21.080 12.268 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.722 22.337 12.033 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.799 20.623 12.025 1.00 0.00 N ATOM 0 H ARG A 30 -7.862 20.277 12.159 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.787 21.450 10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.196 21.736 12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.398 20.018 13.042 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.563 19.550 11.437 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.352 21.272 11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.721 21.580 13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.070 19.901 13.848 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.055 19.249 12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.669 22.674 12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.012 22.976 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.019 19.642 12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.518 21.252 11.666 1.00 0.00 H new ATOM 476 N VAL A 31 -5.524 19.354 9.182 1.00 0.00 N ATOM 477 CA VAL A 31 -5.327 18.130 8.416 1.00 0.00 C ATOM 478 C VAL A 31 -3.844 17.833 8.217 1.00 0.00 C ATOM 479 O VAL A 31 -3.119 18.629 7.621 1.00 0.00 O ATOM 480 CB VAL A 31 -6.014 18.211 7.039 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.760 16.940 6.243 1.00 0.00 C ATOM 482 CG2 VAL A 31 -7.508 18.446 7.202 1.00 0.00 C ATOM 0 H VAL A 31 -5.263 20.207 8.687 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.779 17.323 8.992 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.590 19.053 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.252 17.014 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.688 16.810 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.158 16.084 6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.977 18.501 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.946 17.624 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.673 19.382 7.735 1.00 0.00 H new ATOM 492 N ALA A 32 -3.404 16.687 8.722 1.00 0.00 N ATOM 493 CA ALA A 32 -1.997 16.306 8.642 1.00 0.00 C ATOM 494 C ALA A 32 -1.724 15.463 7.405 1.00 0.00 C ATOM 495 O ALA A 32 -1.371 14.286 7.509 1.00 0.00 O ATOM 496 CB ALA A 32 -1.580 15.559 9.903 1.00 0.00 C ATOM 0 H ALA A 32 -4.000 16.005 9.191 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.403 17.217 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.529 15.281 9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.726 16.201 10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.187 14.660 10.011 1.00 0.00 H new ATOM 502 N GLY A 33 -1.895 16.067 6.235 1.00 0.00 N ATOM 503 CA GLY A 33 -1.586 15.399 4.974 1.00 0.00 C ATOM 504 C GLY A 33 -0.164 15.697 4.525 1.00 0.00 C ATOM 505 O GLY A 33 0.542 16.487 5.152 1.00 0.00 O ATOM 0 H GLY A 33 -2.246 17.019 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.715 14.323 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.288 15.724 4.206 1.00 0.00 H new ATOM 509 N ASN A 34 0.257 15.058 3.434 1.00 0.00 N ATOM 510 CA ASN A 34 1.575 15.308 2.858 1.00 0.00 C ATOM 511 C ASN A 34 1.619 14.886 1.408 1.00 0.00 C ATOM 512 O ASN A 34 1.678 13.697 1.088 1.00 0.00 O ATOM 513 CB ASN A 34 2.654 14.551 3.685 1.00 0.00 C ATOM 514 CG ASN A 34 4.119 14.882 3.381 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.472 15.347 2.307 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.023 14.637 4.291 1.00 0.00 N ATOM 0 H ASN A 34 -0.297 14.364 2.932 1.00 0.00 H new ATOM 0 HA ASN A 34 1.781 16.378 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.473 14.750 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.509 13.481 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.005 14.834 4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.747 14.249 5.193 1.00 0.00 H new ATOM 523 N PRO A 35 1.617 15.869 0.511 1.00 0.00 N ATOM 524 CA PRO A 35 1.619 17.269 0.919 1.00 0.00 C ATOM 525 C PRO A 35 0.262 17.684 1.476 1.00 0.00 C ATOM 526 O PRO A 35 -0.758 17.058 1.186 1.00 0.00 O ATOM 527 CB PRO A 35 1.976 18.030 -0.362 1.00 0.00 C ATOM 528 CG PRO A 35 1.498 17.147 -1.464 1.00 0.00 C ATOM 529 CD PRO A 35 1.724 15.741 -0.974 1.00 0.00 C ATOM 0 HA PRO A 35 2.325 17.474 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.489 19.004 -0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.049 18.208 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.444 17.323 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.048 17.335 -2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.979 15.052 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.701 15.363 -1.275 1.00 0.00 H new ATOM 537 N LYS A 36 0.258 18.745 2.280 1.00 0.00 N ATOM 538 CA LYS A 36 -0.981 19.282 2.825 1.00 0.00 C ATOM 539 C LYS A 36 -1.925 19.723 1.712 1.00 0.00 C ATOM 540 O LYS A 36 -1.648 20.679 0.991 1.00 0.00 O ATOM 541 CB LYS A 36 -0.689 20.453 3.764 1.00 0.00 C ATOM 542 CG LYS A 36 -0.082 20.050 5.102 1.00 0.00 C ATOM 543 CD LYS A 36 1.351 19.568 4.936 1.00 0.00 C ATOM 544 CE LYS A 36 2.017 19.331 6.284 1.00 0.00 C ATOM 545 NZ LYS A 36 1.253 18.363 7.118 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.098 19.247 2.566 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.469 18.489 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.010 21.143 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.616 20.995 3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.105 20.899 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.683 19.261 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.361 18.645 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.921 20.305 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.029 18.957 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.106 20.278 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.850 18.034 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.404 18.828 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.970 17.550 6.535 1.00 0.00 H new ATOM 559 N PRO A 37 -3.044 19.016 1.580 1.00 0.00 N ATOM 560 CA PRO A 37 -4.042 19.346 0.570 1.00 0.00 C ATOM 561 C PRO A 37 -4.578 20.759 0.766 1.00 0.00 C ATOM 562 O PRO A 37 -4.555 21.293 1.873 1.00 0.00 O ATOM 563 CB PRO A 37 -5.131 18.285 0.759 1.00 0.00 C ATOM 564 CG PRO A 37 -4.438 17.159 1.446 1.00 0.00 C ATOM 565 CD PRO A 37 -3.427 17.807 2.354 1.00 0.00 C ATOM 0 HA PRO A 37 -3.637 19.337 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.958 18.667 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.549 17.970 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.143 16.551 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.954 16.498 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.854 18.062 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.573 17.157 2.543 1.00 0.00 H new ATOM 573 N LYS A 38 -5.060 21.359 -0.318 1.00 0.00 N ATOM 574 CA LYS A 38 -5.699 22.666 -0.249 1.00 0.00 C ATOM 575 C LYS A 38 -7.050 22.584 0.449 1.00 0.00 C ATOM 576 O LYS A 38 -8.098 22.565 -0.201 1.00 0.00 O ATOM 577 CB LYS A 38 -5.867 23.255 -1.651 1.00 0.00 C ATOM 578 CG LYS A 38 -6.464 24.655 -1.677 1.00 0.00 C ATOM 579 CD LYS A 38 -6.502 25.214 -3.091 1.00 0.00 C ATOM 580 CE LYS A 38 -7.090 26.617 -3.118 1.00 0.00 C ATOM 581 NZ LYS A 38 -7.103 27.189 -4.491 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.019 20.959 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.053 23.321 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.894 23.279 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.503 22.591 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.473 24.630 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.877 25.315 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.493 25.233 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.095 24.557 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.107 26.592 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.511 27.266 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.511 28.145 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.130 27.238 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.677 26.585 -5.113 1.00 0.00 H new ATOM 595 N ILE A 39 -7.021 22.532 1.777 1.00 0.00 N ATOM 596 CA ILE A 39 -8.238 22.374 2.565 1.00 0.00 C ATOM 597 C ILE A 39 -9.368 23.236 2.014 1.00 0.00 C ATOM 598 O ILE A 39 -9.226 24.452 1.885 1.00 0.00 O ATOM 599 CB ILE A 39 -8.004 22.733 4.043 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.095 21.696 4.708 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.329 22.835 4.783 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.659 22.071 6.106 1.00 0.00 C ATOM 0 H ILE A 39 -6.167 22.597 2.330 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.522 21.324 2.497 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.510 23.704 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.617 20.740 4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.210 21.552 4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.144 23.090 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.943 23.609 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.850 21.879 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.018 21.287 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.108 23.011 6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.537 22.186 6.742 1.00 0.00 H new ATOM 614 N TYR A 40 -10.489 22.601 1.692 1.00 0.00 N ATOM 615 CA TYR A 40 -11.654 23.310 1.184 1.00 0.00 C ATOM 616 C TYR A 40 -12.750 23.396 2.238 1.00 0.00 C ATOM 617 O TYR A 40 -12.899 22.498 3.068 1.00 0.00 O ATOM 618 CB TYR A 40 -12.187 22.627 -0.076 1.00 0.00 C ATOM 619 CG TYR A 40 -11.188 22.562 -1.209 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.892 23.690 -1.962 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.544 21.375 -1.525 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.980 23.638 -2.997 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.630 21.312 -2.559 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.350 22.446 -3.294 1.00 0.00 C ATOM 625 OH TYR A 40 -8.442 22.388 -4.326 1.00 0.00 O ATOM 0 H TYR A 40 -10.614 21.592 1.775 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.344 24.325 0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.501 21.614 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.075 23.159 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.384 24.624 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.761 20.485 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.760 24.526 -3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.137 20.380 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.090 21.477 -4.401 1.00 0.00 H new ATOM 635 N TRP A 41 -13.519 24.479 2.197 1.00 0.00 N ATOM 636 CA TRP A 41 -14.696 24.615 3.051 1.00 0.00 C ATOM 637 C TRP A 41 -15.962 24.780 2.221 1.00 0.00 C ATOM 638 O TRP A 41 -15.958 25.448 1.188 1.00 0.00 O ATOM 639 CB TRP A 41 -14.528 25.804 3.999 1.00 0.00 C ATOM 640 CG TRP A 41 -13.460 25.602 5.031 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.133 25.877 4.894 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.629 25.085 6.357 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.463 25.564 6.049 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.361 25.076 6.964 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.731 24.628 7.088 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.164 24.631 8.263 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.533 24.184 8.389 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.285 24.184 8.959 1.00 0.00 C ATOM 0 H TRP A 41 -13.350 25.275 1.582 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.793 23.702 3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.293 26.694 3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.476 25.994 4.502 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.675 26.283 4.004 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.461 25.676 6.203 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.718 24.621 6.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.183 24.631 8.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.377 23.832 8.963 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.169 23.829 9.972 1.00 0.00 H new ATOM 659 N PHE A 42 -17.047 24.166 2.682 1.00 0.00 N ATOM 660 CA PHE A 42 -18.360 24.377 2.084 1.00 0.00 C ATOM 661 C PHE A 42 -19.475 24.158 3.099 1.00 0.00 C ATOM 662 O PHE A 42 -19.356 23.313 3.987 1.00 0.00 O ATOM 663 CB PHE A 42 -18.555 23.450 0.883 1.00 0.00 C ATOM 664 CG PHE A 42 -18.367 21.995 1.204 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.103 21.425 1.195 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.454 21.193 1.517 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.928 20.087 1.489 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.283 19.853 1.813 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.020 19.300 1.799 1.00 0.00 C ATOM 0 H PHE A 42 -17.042 23.517 3.469 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.408 25.412 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.557 23.597 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.853 23.733 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.245 22.035 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.446 21.620 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.938 19.656 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.138 19.240 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.885 18.254 2.030 1.00 0.00 H new ATOM 679 N LYS A 43 -20.549 24.924 2.964 1.00 0.00 N ATOM 680 CA LYS A 43 -21.639 24.887 3.934 1.00 0.00 C ATOM 681 C LYS A 43 -22.888 24.249 3.338 1.00 0.00 C ATOM 682 O LYS A 43 -23.532 24.826 2.460 1.00 0.00 O ATOM 683 CB LYS A 43 -21.957 26.298 4.433 1.00 0.00 C ATOM 684 CG LYS A 43 -22.909 26.345 5.618 1.00 0.00 C ATOM 685 CD LYS A 43 -24.354 26.481 5.165 1.00 0.00 C ATOM 686 CE LYS A 43 -25.275 26.812 6.331 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.704 26.537 6.010 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.690 25.578 2.194 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.315 24.276 4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.025 26.791 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.388 26.872 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.797 25.439 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.648 27.184 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.427 27.263 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.678 25.552 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.980 26.228 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.159 27.863 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.278 26.629 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.037 27.218 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.796 25.571 5.635 1.00 0.00 H new ATOM 701 N ASP A 44 -23.220 23.055 3.812 1.00 0.00 N ATOM 702 CA ASP A 44 -24.346 22.300 3.268 1.00 0.00 C ATOM 703 C ASP A 44 -24.220 22.140 1.758 1.00 0.00 C ATOM 704 O ASP A 44 -25.221 22.119 1.042 1.00 0.00 O ATOM 705 CB ASP A 44 -25.670 22.983 3.616 1.00 0.00 C ATOM 706 CG ASP A 44 -26.056 22.898 5.087 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.425 22.155 5.803 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.867 23.681 5.515 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.727 22.587 4.572 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.332 21.308 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.609 24.033 3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.464 22.535 3.018 1.00 0.00 H new ATOM 713 N GLY A 45 -22.989 22.026 1.279 1.00 0.00 N ATOM 714 CA GLY A 45 -22.734 21.793 -0.139 1.00 0.00 C ATOM 715 C GLY A 45 -22.453 23.103 -0.867 1.00 0.00 C ATOM 716 O GLY A 45 -22.214 23.110 -2.073 1.00 0.00 O ATOM 0 H GLY A 45 -22.148 22.091 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.884 21.120 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.595 21.299 -0.590 1.00 0.00 H new ATOM 720 N LYS A 46 -22.485 24.206 -0.125 1.00 0.00 N ATOM 721 CA LYS A 46 -22.256 25.522 -0.706 1.00 0.00 C ATOM 722 C LYS A 46 -20.798 25.940 -0.563 1.00 0.00 C ATOM 723 O LYS A 46 -20.371 26.389 0.504 1.00 0.00 O ATOM 724 CB LYS A 46 -23.168 26.562 -0.051 1.00 0.00 C ATOM 725 CG LYS A 46 -24.656 26.302 -0.242 1.00 0.00 C ATOM 726 CD LYS A 46 -25.498 27.330 0.500 1.00 0.00 C ATOM 727 CE LYS A 46 -26.983 27.101 0.270 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.814 28.173 0.882 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.667 24.213 0.879 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.491 25.464 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.952 26.596 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.928 27.545 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.898 26.329 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.901 25.302 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.281 27.278 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.227 28.332 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.181 27.056 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.270 26.136 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.820 27.978 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.645 28.200 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.559 29.091 0.465 1.00 0.00 H new ATOM 742 N GLN A 47 -20.035 25.795 -1.638 1.00 0.00 N ATOM 743 CA GLN A 47 -18.611 26.106 -1.621 1.00 0.00 C ATOM 744 C GLN A 47 -18.358 27.496 -1.056 1.00 0.00 C ATOM 745 O GLN A 47 -18.976 28.473 -1.484 1.00 0.00 O ATOM 746 CB GLN A 47 -18.022 26.005 -3.031 1.00 0.00 C ATOM 747 CG GLN A 47 -16.518 26.204 -3.093 1.00 0.00 C ATOM 748 CD GLN A 47 -15.974 26.073 -4.502 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.733 25.921 -5.464 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.654 26.127 -4.635 1.00 0.00 N ATOM 0 H GLN A 47 -20.381 25.462 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.121 25.377 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.265 25.026 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.502 26.748 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.268 27.190 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.031 25.472 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.063 26.254 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.231 26.042 -5.559 1.00 0.00 H new ATOM 759 N ILE A 48 -17.448 27.583 -0.092 1.00 0.00 N ATOM 760 CA ILE A 48 -17.122 28.852 0.544 1.00 0.00 C ATOM 761 C ILE A 48 -15.842 29.444 -0.029 1.00 0.00 C ATOM 762 O ILE A 48 -14.794 28.795 -0.032 1.00 0.00 O ATOM 763 CB ILE A 48 -16.967 28.697 2.068 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.285 28.230 2.694 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.512 30.006 2.693 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.161 27.817 4.143 1.00 0.00 C ATOM 0 H ILE A 48 -16.922 26.786 0.266 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.953 29.527 0.339 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.206 27.942 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.018 29.033 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.672 27.389 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.408 29.878 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.552 30.298 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.250 30.782 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.135 27.499 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.454 26.992 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.805 28.662 4.733 1.00 0.00 H new ATOM 778 N SER A 49 -15.927 30.679 -0.506 1.00 0.00 N ATOM 779 CA SER A 49 -14.753 31.404 -0.982 1.00 0.00 C ATOM 780 C SER A 49 -14.071 32.155 0.152 1.00 0.00 C ATOM 781 O SER A 49 -14.730 32.826 0.949 1.00 0.00 O ATOM 782 CB SER A 49 -15.145 32.362 -2.089 1.00 0.00 C ATOM 783 OG SER A 49 -14.070 33.163 -2.497 1.00 0.00 O ATOM 0 H SER A 49 -16.800 31.203 -0.574 1.00 0.00 H new ATOM 0 HA SER A 49 -14.043 30.677 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.519 31.796 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.961 32.998 -1.746 1.00 0.00 H new ATOM 0 HG SER A 49 -14.364 33.765 -3.213 1.00 0.00 H new ATOM 789 N PRO A 50 -12.749 32.041 0.221 1.00 0.00 N ATOM 790 CA PRO A 50 -11.972 32.742 1.234 1.00 0.00 C ATOM 791 C PRO A 50 -12.249 34.242 1.204 1.00 0.00 C ATOM 792 O PRO A 50 -12.340 34.843 0.134 1.00 0.00 O ATOM 793 CB PRO A 50 -10.517 32.417 0.879 1.00 0.00 C ATOM 794 CG PRO A 50 -10.594 31.123 0.144 1.00 0.00 C ATOM 795 CD PRO A 50 -11.876 31.186 -0.642 1.00 0.00 C ATOM 0 HA PRO A 50 -12.223 32.432 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.075 33.199 0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.900 32.330 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.735 30.994 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.597 30.279 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.725 31.626 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.305 30.196 -0.797 1.00 0.00 H new ATOM 803 N LYS A 51 -12.384 34.838 2.383 1.00 0.00 N ATOM 804 CA LYS A 51 -12.613 36.273 2.494 1.00 0.00 C ATOM 805 C LYS A 51 -13.874 36.690 1.749 1.00 0.00 C ATOM 806 O LYS A 51 -13.832 37.542 0.860 1.00 0.00 O ATOM 807 CB LYS A 51 -11.406 37.047 1.962 1.00 0.00 C ATOM 808 CG LYS A 51 -10.111 36.796 2.723 1.00 0.00 C ATOM 809 CD LYS A 51 -8.963 37.609 2.145 1.00 0.00 C ATOM 810 CE LYS A 51 -7.671 37.365 2.909 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.520 38.088 2.304 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.339 34.348 3.277 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.750 36.510 3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.254 36.784 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.631 38.113 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.248 37.053 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.864 35.735 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.822 37.348 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.213 38.669 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.796 37.684 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.458 36.296 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.660 37.894 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.383 37.766 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.711 39.110 2.308 1.00 0.00 H new ATOM 825 N SER A 52 -14.999 36.083 2.114 1.00 0.00 N ATOM 826 CA SER A 52 -16.279 36.410 1.501 1.00 0.00 C ATOM 827 C SER A 52 -17.037 37.444 2.322 1.00 0.00 C ATOM 828 O SER A 52 -16.452 38.145 3.150 1.00 0.00 O ATOM 829 CB SER A 52 -17.113 35.155 1.334 1.00 0.00 C ATOM 830 OG SER A 52 -18.251 35.379 0.548 1.00 0.00 O ATOM 0 H SER A 52 -15.049 35.361 2.833 1.00 0.00 H new ATOM 0 HA SER A 52 -16.084 36.841 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.505 34.374 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.417 34.789 2.315 1.00 0.00 H new ATOM 0 HG SER A 52 -18.760 34.546 0.464 1.00 0.00 H new ATOM 836 N ASP A 53 -18.341 37.540 2.086 1.00 0.00 N ATOM 837 CA ASP A 53 -19.172 38.520 2.771 1.00 0.00 C ATOM 838 C ASP A 53 -19.046 38.393 4.286 1.00 0.00 C ATOM 839 O ASP A 53 -18.901 39.385 4.993 1.00 0.00 O ATOM 840 CB ASP A 53 -20.636 38.367 2.351 1.00 0.00 C ATOM 841 CG ASP A 53 -20.936 38.844 0.936 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.098 39.495 0.358 1.00 0.00 O ATOM 843 OD2 ASP A 53 -21.928 38.426 0.388 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.845 36.950 1.424 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.821 39.511 2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -20.918 37.318 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.262 38.922 3.049 1.00 0.00 H new ATOM 848 N HIS A 54 -19.109 37.157 4.772 1.00 0.00 N ATOM 849 CA HIS A 54 -18.989 36.891 6.201 1.00 0.00 C ATOM 850 C HIS A 54 -18.084 35.697 6.467 1.00 0.00 C ATOM 851 O HIS A 54 -17.787 35.376 7.620 1.00 0.00 O ATOM 852 CB HIS A 54 -20.368 36.650 6.824 1.00 0.00 C ATOM 853 CG HIS A 54 -21.281 37.833 6.740 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.133 38.946 7.539 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.355 38.076 5.951 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.076 39.824 7.245 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.830 39.320 6.287 1.00 0.00 N ATOM 0 H HIS A 54 -19.242 36.325 4.198 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.540 37.771 6.662 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.839 35.803 6.326 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.241 36.374 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.761 37.416 5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.207 40.790 7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.636 39.780 5.864 1.00 0.00 H new ATOM 865 N TYR A 55 -17.651 35.041 5.397 1.00 0.00 N ATOM 866 CA TYR A 55 -16.916 33.785 5.515 1.00 0.00 C ATOM 867 C TYR A 55 -15.442 33.981 5.192 1.00 0.00 C ATOM 868 O TYR A 55 -15.040 33.972 4.027 1.00 0.00 O ATOM 869 CB TYR A 55 -17.518 32.722 4.592 1.00 0.00 C ATOM 870 CG TYR A 55 -18.926 32.312 4.967 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.417 32.540 6.244 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.757 31.699 4.040 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.700 32.164 6.589 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.043 31.322 4.376 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.511 31.557 5.652 1.00 0.00 C ATOM 876 OH TYR A 55 -22.790 31.184 5.992 1.00 0.00 O ATOM 0 H TYR A 55 -17.795 35.357 4.438 1.00 0.00 H new ATOM 0 HA TYR A 55 -16.999 33.445 6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.520 33.101 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.878 31.840 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.787 33.018 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.393 31.514 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.067 32.344 7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.678 30.846 3.644 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.306 31.978 6.246 1.00 0.00 H new ATOM 886 N THR A 56 -14.631 34.158 6.230 1.00 0.00 N ATOM 887 CA THR A 56 -13.198 34.366 6.062 1.00 0.00 C ATOM 888 C THR A 56 -12.424 33.074 6.292 1.00 0.00 C ATOM 889 O THR A 56 -12.549 32.441 7.341 1.00 0.00 O ATOM 890 CB THR A 56 -12.666 35.448 7.021 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.323 36.694 6.750 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.166 35.622 6.848 1.00 0.00 C ATOM 0 H THR A 56 -14.944 34.161 7.201 1.00 0.00 H new ATOM 0 HA THR A 56 -13.048 34.699 5.035 1.00 0.00 H new ATOM 0 HB THR A 56 -12.869 35.137 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.986 37.382 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.807 36.390 7.533 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.663 34.679 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.950 35.921 5.822 1.00 0.00 H new ATOM 900 N ILE A 57 -11.627 32.682 5.304 1.00 0.00 N ATOM 901 CA ILE A 57 -10.824 31.468 5.400 1.00 0.00 C ATOM 902 C ILE A 57 -9.342 31.794 5.507 1.00 0.00 C ATOM 903 O ILE A 57 -8.785 32.488 4.655 1.00 0.00 O ATOM 904 CB ILE A 57 -11.049 30.544 4.189 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.509 30.085 4.131 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.114 29.346 4.253 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.858 29.319 2.876 1.00 0.00 C ATOM 0 H ILE A 57 -11.520 33.189 4.425 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.145 30.952 6.305 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.828 31.104 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.718 29.458 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.158 30.958 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.286 28.703 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.080 29.691 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.305 28.784 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.908 29.028 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.682 29.949 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.236 28.427 2.810 1.00 0.00 H new ATOM 919 N GLN A 58 -8.703 31.290 6.557 1.00 0.00 N ATOM 920 CA GLN A 58 -7.259 31.423 6.713 1.00 0.00 C ATOM 921 C GLN A 58 -6.573 30.065 6.656 1.00 0.00 C ATOM 922 O GLN A 58 -6.636 29.285 7.609 1.00 0.00 O ATOM 923 CB GLN A 58 -6.925 32.114 8.039 1.00 0.00 C ATOM 924 CG GLN A 58 -7.374 33.563 8.115 1.00 0.00 C ATOM 925 CD GLN A 58 -6.637 34.449 7.127 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.422 34.331 6.952 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.369 35.349 6.480 1.00 0.00 N ATOM 0 H GLN A 58 -9.163 30.785 7.314 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.891 32.032 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.390 31.558 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.847 32.070 8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.445 33.619 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.213 33.938 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.372 35.412 6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.928 35.977 5.808 1.00 0.00 H new ATOM 936 N ARG A 59 -5.919 29.783 5.535 1.00 0.00 N ATOM 937 CA ARG A 59 -5.333 28.472 5.295 1.00 0.00 C ATOM 938 C ARG A 59 -3.827 28.492 5.527 1.00 0.00 C ATOM 939 O ARG A 59 -3.064 28.930 4.664 1.00 0.00 O ATOM 940 CB ARG A 59 -5.679 27.934 3.915 1.00 0.00 C ATOM 941 CG ARG A 59 -5.248 26.498 3.663 1.00 0.00 C ATOM 942 CD ARG A 59 -5.462 26.030 2.270 1.00 0.00 C ATOM 943 NE ARG A 59 -6.845 26.070 1.826 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.357 27.005 1.003 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.618 27.997 0.560 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.633 26.911 0.668 1.00 0.00 N ATOM 0 H ARG A 59 -5.782 30.449 4.775 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.772 27.785 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.757 28.005 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.216 28.574 3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.190 26.400 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.794 25.843 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.860 26.642 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.095 25.007 2.184 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.472 25.339 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.639 28.068 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.023 28.696 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.201 26.145 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.049 27.604 0.046 1.00 0.00 H new ATOM 960 N ASP A 60 -3.407 28.017 6.692 1.00 0.00 N ATOM 961 CA ASP A 60 -1.985 27.850 6.985 1.00 0.00 C ATOM 962 C ASP A 60 -1.430 26.596 6.318 1.00 0.00 C ATOM 963 O ASP A 60 -2.011 25.520 6.418 1.00 0.00 O ATOM 964 CB ASP A 60 -1.751 27.788 8.496 1.00 0.00 C ATOM 965 CG ASP A 60 -0.284 27.755 8.904 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.549 27.603 8.043 1.00 0.00 O ATOM 967 OD2 ASP A 60 0.001 28.037 10.044 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.029 27.740 7.451 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.458 28.715 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.226 28.652 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.246 26.901 8.892 1.00 0.00 H new ATOM 972 N LEU A 61 -0.300 26.747 5.636 1.00 0.00 N ATOM 973 CA LEU A 61 0.274 25.661 4.851 1.00 0.00 C ATOM 974 C LEU A 61 0.765 24.533 5.747 1.00 0.00 C ATOM 975 O LEU A 61 1.044 23.430 5.276 1.00 0.00 O ATOM 976 CB LEU A 61 1.420 26.185 3.976 1.00 0.00 C ATOM 977 CG LEU A 61 1.004 27.176 2.881 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.237 27.698 2.155 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.054 26.492 1.910 1.00 0.00 C ATOM 0 H LEU A 61 0.238 27.613 5.611 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.509 25.261 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.156 26.667 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.915 25.335 3.506 1.00 0.00 H new ATOM 0 HG LEU A 61 0.490 28.024 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.932 28.401 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.891 28.203 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.771 26.864 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.241 27.197 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.553 25.637 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.832 26.152 2.446 1.00 0.00 H new ATOM 991 N ASP A 62 0.874 24.814 7.039 1.00 0.00 N ATOM 992 CA ASP A 62 1.280 23.811 8.012 1.00 0.00 C ATOM 993 C ASP A 62 0.260 22.682 8.098 1.00 0.00 C ATOM 994 O ASP A 62 0.601 21.548 8.440 1.00 0.00 O ATOM 995 CB ASP A 62 1.477 24.447 9.390 1.00 0.00 C ATOM 996 CG ASP A 62 2.298 23.608 10.360 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.446 23.364 10.079 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.823 23.350 11.441 1.00 0.00 O1- ATOM 0 H ASP A 62 0.686 25.734 7.438 1.00 0.00 H new ATOM 0 HA ASP A 62 2.228 23.390 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.964 25.414 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.499 24.637 9.832 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.992 22.997 7.787 1.00 0.00 N ATOM 1004 CA GLY A 63 -2.047 21.993 7.745 1.00 0.00 C ATOM 1005 C GLY A 63 -3.288 22.468 8.489 1.00 0.00 C ATOM 1006 O GLY A 63 -4.351 21.854 8.398 1.00 0.00 O ATOM 0 H GLY A 63 -1.301 23.942 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.303 21.773 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.687 21.064 8.188 1.00 0.00 H new ATOM 1010 N THR A 64 -3.151 23.566 9.222 1.00 0.00 N ATOM 1011 CA THR A 64 -4.268 24.147 9.956 1.00 0.00 C ATOM 1012 C THR A 64 -4.951 25.241 9.148 1.00 0.00 C ATOM 1013 O THR A 64 -4.298 26.159 8.650 1.00 0.00 O ATOM 1014 CB THR A 64 -3.815 24.729 11.308 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.276 23.683 12.126 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.988 25.378 12.029 1.00 0.00 C ATOM 0 H THR A 64 -2.273 24.074 9.324 1.00 0.00 H new ATOM 0 HA THR A 64 -4.976 23.339 10.137 1.00 0.00 H new ATOM 0 HB THR A 64 -3.051 25.485 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.987 24.056 12.985 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.650 25.784 12.982 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.392 26.183 11.415 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.763 24.633 12.207 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.269 25.138 9.016 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.052 26.161 8.330 1.00 0.00 C ATOM 1026 C CYS A 65 -8.265 26.572 9.157 1.00 0.00 C ATOM 1027 O CYS A 65 -9.031 25.723 9.617 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.489 25.450 7.049 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.336 26.512 5.854 1.00 0.00 S ATOM 0 H CYS A 65 -6.818 24.357 9.375 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.493 27.080 8.151 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.611 25.016 6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.149 24.624 7.314 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.661 25.814 4.807 1.00 0.00 H new ATOM 1035 N SER A 66 -8.431 27.875 9.348 1.00 0.00 N ATOM 1036 CA SER A 66 -9.505 28.395 10.182 1.00 0.00 C ATOM 1037 C SER A 66 -10.619 28.999 9.334 1.00 0.00 C ATOM 1038 O SER A 66 -10.363 29.619 8.303 1.00 0.00 O ATOM 1039 CB SER A 66 -8.960 29.426 11.151 1.00 0.00 C ATOM 1040 OG SER A 66 -9.977 30.045 11.888 1.00 0.00 O ATOM 0 H SER A 66 -7.834 28.591 8.935 1.00 0.00 H new ATOM 0 HA SER A 66 -9.928 27.565 10.748 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.259 28.946 11.834 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.401 30.182 10.599 1.00 0.00 H new ATOM 0 HG SER A 66 -10.701 29.404 12.049 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.857 28.814 9.778 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.005 29.452 9.141 1.00 0.00 C ATOM 1048 C LEU A 67 -13.759 30.339 10.123 1.00 0.00 C ATOM 1049 O LEU A 67 -14.284 29.860 11.126 1.00 0.00 O ATOM 1050 CB LEU A 67 -13.943 28.392 8.552 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.250 28.934 7.959 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.945 29.880 6.804 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.116 27.773 7.490 1.00 0.00 C ATOM 0 H LEU A 67 -12.092 28.227 10.578 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.634 30.084 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.408 27.848 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.188 27.672 9.333 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.793 29.490 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.878 30.260 6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.343 30.713 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.395 29.344 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.044 28.159 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.581 27.204 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.343 27.124 8.336 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.805 31.636 9.828 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.470 32.594 10.702 1.00 0.00 C ATOM 1067 C HIS A 68 -15.743 33.135 10.065 1.00 0.00 C ATOM 1068 O HIS A 68 -15.722 33.615 8.931 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.528 33.750 11.052 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.181 34.838 11.847 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.539 34.680 13.170 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.541 36.098 11.507 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.092 35.798 13.609 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.104 36.673 12.620 1.00 0.00 N ATOM 0 H HIS A 68 -13.390 32.046 8.991 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.743 32.069 11.618 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.681 33.359 11.615 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.130 34.174 10.130 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.410 36.564 10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.470 35.967 14.607 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.472 37.623 12.674 1.00 0.00 H new ATOM 1082 N THR A 69 -16.845 33.055 10.799 1.00 0.00 N ATOM 1083 CA THR A 69 -18.092 33.691 10.382 1.00 0.00 C ATOM 1084 C THR A 69 -18.306 35.009 11.117 1.00 0.00 C ATOM 1085 O THR A 69 -18.437 35.036 12.341 1.00 0.00 O ATOM 1086 CB THR A 69 -19.304 32.774 10.626 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.149 31.561 9.878 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.590 33.465 10.201 1.00 0.00 C ATOM 0 H THR A 69 -16.903 32.556 11.687 1.00 0.00 H new ATOM 0 HA THR A 69 -18.007 33.883 9.312 1.00 0.00 H new ATOM 0 HB THR A 69 -19.359 32.548 11.691 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.535 31.676 8.985 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.436 32.802 10.381 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.718 34.381 10.777 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.539 33.708 9.140 1.00 0.00 H new ATOM 1096 N THR A 70 -18.337 36.101 10.363 1.00 0.00 N ATOM 1097 CA THR A 70 -18.450 37.434 10.945 1.00 0.00 C ATOM 1098 C THR A 70 -19.773 37.605 11.676 1.00 0.00 C ATOM 1099 O THR A 70 -19.815 38.141 12.785 1.00 0.00 O ATOM 1100 CB THR A 70 -18.322 38.533 9.874 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.023 38.469 9.273 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.523 39.907 10.493 1.00 0.00 C ATOM 0 H THR A 70 -18.285 36.090 9.344 1.00 0.00 H new ATOM 0 HA THR A 70 -17.629 37.535 11.655 1.00 0.00 H new ATOM 0 HB THR A 70 -19.089 38.372 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.944 39.168 8.590 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.429 40.671 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.516 39.963 10.940 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.769 40.073 11.262 1.00 0.00 H new ATOM 1110 N ALA A 71 -20.851 37.145 11.055 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.188 37.308 11.619 1.00 0.00 C ATOM 1112 C ALA A 71 -23.059 36.093 11.323 1.00 0.00 C ATOM 1113 O ALA A 71 -23.771 36.056 10.319 1.00 0.00 O ATOM 1114 CB ALA A 71 -22.840 38.573 11.080 1.00 0.00 C ATOM 0 H ALA A 71 -20.828 36.656 10.160 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.090 37.398 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -23.836 38.680 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.234 39.438 11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -22.918 38.508 9.995 1.00 0.00 H new ATOM 1120 N SER A 72 -23.000 35.101 12.205 1.00 0.00 N ATOM 1121 CA SER A 72 -23.741 33.859 12.015 1.00 0.00 C ATOM 1122 C SER A 72 -25.211 34.037 12.374 1.00 0.00 C ATOM 1123 O SER A 72 -25.563 34.122 13.550 1.00 0.00 O ATOM 1124 CB SER A 72 -23.125 32.750 12.844 1.00 0.00 C ATOM 1125 OG SER A 72 -23.819 31.541 12.706 1.00 0.00 O ATOM 0 H SER A 72 -22.445 35.133 13.060 1.00 0.00 H new ATOM 0 HA SER A 72 -23.683 33.586 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.087 32.608 12.544 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.116 33.045 13.893 1.00 0.00 H new ATOM 0 HG SER A 72 -23.270 30.904 12.203 1.00 0.00 H new ATOM 1131 N THR A 73 -26.064 34.085 11.358 1.00 0.00 N ATOM 1132 CA THR A 73 -27.497 34.237 11.567 1.00 0.00 C ATOM 1133 C THR A 73 -28.220 32.907 11.387 1.00 0.00 C ATOM 1134 O THR A 73 -27.610 31.897 11.044 1.00 0.00 O ATOM 1135 CB THR A 73 -28.103 35.272 10.603 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.019 34.786 9.258 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.358 36.595 10.706 1.00 0.00 C ATOM 0 H THR A 73 -25.786 34.021 10.379 1.00 0.00 H new ATOM 0 HA THR A 73 -27.631 34.588 12.590 1.00 0.00 H new ATOM 0 HB THR A 73 -29.147 35.430 10.874 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.089 34.557 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.799 37.316 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.431 36.975 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.310 36.443 10.449 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.530 32.917 11.625 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.333 31.705 11.518 1.00 0.00 C ATOM 1147 C LEU A 74 -30.196 31.070 10.137 1.00 0.00 C ATOM 1148 O LEU A 74 -30.198 29.847 10.003 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.804 32.018 11.818 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.728 30.796 11.906 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -32.272 29.879 13.034 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -34.160 31.255 12.130 1.00 0.00 C ATOM 0 H LEU A 74 -30.055 33.750 11.892 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.965 30.989 12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.858 32.563 12.761 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.182 32.684 11.043 1.00 0.00 H new ATOM 0 HG LEU A 74 -32.682 30.237 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -32.933 29.014 13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -31.253 29.545 12.842 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -32.304 30.421 13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -34.815 30.386 12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -34.219 31.822 13.059 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -34.474 31.887 11.299 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.076 31.913 9.116 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.933 31.435 7.748 1.00 0.00 C ATOM 1166 C ASP A 75 -28.551 30.832 7.515 1.00 0.00 C ATOM 1167 O ASP A 75 -28.339 30.102 6.548 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.185 32.572 6.755 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.643 33.001 6.647 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.489 32.284 7.126 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.885 34.109 6.231 1.00 0.00 O1- ATOM 0 H ASP A 75 -30.075 32.929 9.211 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.676 30.654 7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.586 33.434 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.836 32.262 5.770 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.620 31.144 8.407 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.268 30.603 8.325 1.00 0.00 C ATOM 1178 C ASP A 76 -26.150 29.292 9.090 1.00 0.00 C ATOM 1179 O ASP A 76 -25.112 28.627 9.049 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.251 31.618 8.858 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.129 32.884 8.024 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.941 32.773 6.836 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.380 33.942 8.549 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.776 31.770 9.197 1.00 0.00 H new ATOM 0 HA ASP A 76 -26.053 30.404 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.530 31.893 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.273 31.139 8.914 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.219 28.922 9.788 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.263 27.650 10.502 1.00 0.00 C ATOM 1190 C ASP A 77 -27.159 26.474 9.541 1.00 0.00 C ATOM 1191 O ASP A 77 -27.915 26.378 8.572 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.552 27.542 11.324 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.655 26.279 12.169 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.970 25.329 11.868 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.293 26.325 13.193 1.00 0.00 O1- ATOM 0 H ASP A 77 -28.066 29.484 9.875 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.407 27.617 11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.624 28.410 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.405 27.582 10.647 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.212 25.580 9.810 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.998 24.410 8.963 1.00 0.00 C ATOM 1202 C GLY A 78 -24.626 23.796 9.210 1.00 0.00 C ATOM 1203 O GLY A 78 -23.976 24.088 10.211 1.00 0.00 O ATOM 0 H GLY A 78 -25.580 25.643 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.772 23.668 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.089 24.695 7.915 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.191 22.946 8.286 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.959 22.189 8.464 1.00 0.00 C ATOM 1209 C ASN A 79 -21.841 22.745 7.590 1.00 0.00 C ATOM 1210 O ASN A 79 -21.869 22.610 6.368 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.165 20.715 8.176 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.207 20.068 9.044 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.088 20.035 10.276 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.190 19.480 8.407 1.00 0.00 N ATOM 0 H ASN A 79 -24.674 22.765 7.406 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.666 22.293 9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.450 20.595 7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.218 20.192 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.901 18.966 8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.244 19.536 7.390 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.857 23.372 8.226 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.704 23.914 7.512 1.00 0.00 C ATOM 1223 C TYR A 80 -18.643 22.849 7.288 1.00 0.00 C ATOM 1224 O TYR A 80 -17.574 22.886 7.893 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.108 25.096 8.281 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.015 26.305 8.348 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.113 26.329 9.193 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.766 27.422 7.563 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.942 27.431 9.259 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.590 28.531 7.616 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.677 28.530 8.465 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.501 29.633 8.526 1.00 0.00 O ATOM 0 H TYR A 80 -20.834 23.518 9.235 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.048 24.260 6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.872 24.775 9.295 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.168 25.385 7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.324 25.469 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.914 27.425 6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.791 27.434 9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.384 29.392 6.997 1.00 0.00 H new ATOM 0 HH TYR A 80 -22.528 30.070 7.649 1.00 0.00 H new ATOM 1242 N THR A 81 -18.947 21.894 6.413 1.00 0.00 N ATOM 1243 CA THR A 81 -18.102 20.716 6.238 1.00 0.00 C ATOM 1244 C THR A 81 -16.744 21.093 5.663 1.00 0.00 C ATOM 1245 O THR A 81 -16.657 21.870 4.708 1.00 0.00 O ATOM 1246 CB THR A 81 -18.765 19.675 5.318 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.023 19.271 5.876 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.870 18.456 5.160 1.00 0.00 C ATOM 0 H THR A 81 -19.772 21.913 5.814 1.00 0.00 H new ATOM 0 HA THR A 81 -17.966 20.279 7.227 1.00 0.00 H new ATOM 0 HB THR A 81 -18.923 20.127 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.444 18.610 5.288 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.355 17.731 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.918 18.758 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.695 18.004 6.136 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.685 20.543 6.246 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.342 20.711 5.708 1.00 0.00 C ATOM 1258 C ILE A 82 -13.880 19.453 4.982 1.00 0.00 C ATOM 1259 O ILE A 82 -14.166 18.338 5.410 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.328 21.056 6.814 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.897 20.852 6.311 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.585 20.212 8.053 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.836 21.296 7.291 1.00 0.00 C ATOM 0 H ILE A 82 -15.732 19.976 7.093 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.388 21.539 5.001 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.452 22.105 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.749 19.796 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.768 21.400 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.859 20.469 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.592 20.406 8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.488 19.156 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.849 21.120 6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -10.956 22.359 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -10.936 20.730 8.217 1.00 0.00 H new ATOM 1275 N MET A 83 -13.164 19.643 3.877 1.00 0.00 N ATOM 1276 CA MET A 83 -12.703 18.528 3.060 1.00 0.00 C ATOM 1277 C MET A 83 -11.309 18.791 2.502 1.00 0.00 C ATOM 1278 O MET A 83 -11.072 19.805 1.847 1.00 0.00 O ATOM 1279 CB MET A 83 -13.687 18.266 1.922 1.00 0.00 C ATOM 1280 CG MET A 83 -13.279 17.139 0.985 1.00 0.00 C ATOM 1281 SD MET A 83 -14.539 16.777 -0.257 1.00 0.00 S ATOM 1282 CE MET A 83 -14.477 18.269 -1.243 1.00 0.00 C ATOM 0 H MET A 83 -12.891 20.561 3.528 1.00 0.00 H new ATOM 0 HA MET A 83 -12.650 17.644 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.663 18.032 2.348 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.804 19.181 1.341 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.348 17.406 0.485 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.081 16.240 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.675 18.024 -2.286 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.229 18.972 -0.886 1.00 0.00 H new ATOM 0 HE3 MET A 83 -13.489 18.721 -1.158 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.387 17.871 2.771 1.00 0.00 N ATOM 1293 CA ALA A 84 -9.026 17.982 2.262 1.00 0.00 C ATOM 1294 C ALA A 84 -8.868 17.234 0.943 1.00 0.00 C ATOM 1295 O ALA A 84 -8.130 16.256 0.858 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.033 17.463 3.292 1.00 0.00 C ATOM 0 H ALA A 84 -10.559 17.041 3.338 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.820 19.036 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.020 17.552 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.119 18.048 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.247 16.417 3.509 1.00 0.00 H new ATOM 1302 N ALA A 85 -9.569 17.705 -0.085 1.00 0.00 N ATOM 1303 CA ALA A 85 -9.583 17.027 -1.375 1.00 0.00 C ATOM 1304 C ALA A 85 -8.261 17.213 -2.110 1.00 0.00 C ATOM 1305 O ALA A 85 -7.728 18.323 -2.173 1.00 0.00 O ATOM 1306 CB ALA A 85 -10.742 17.530 -2.223 1.00 0.00 C ATOM 0 H ALA A 85 -10.134 18.553 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.717 15.960 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.740 17.015 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.682 17.333 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.635 18.602 -2.386 1.00 0.00 H new ATOM 1312 N ASN A 86 -7.741 16.126 -2.665 1.00 0.00 N ATOM 1313 CA ASN A 86 -6.525 16.181 -3.470 1.00 0.00 C ATOM 1314 C ASN A 86 -6.467 15.028 -4.459 1.00 0.00 C ATOM 1315 O ASN A 86 -7.310 14.132 -4.434 1.00 0.00 O ATOM 1316 CB ASN A 86 -5.280 16.186 -2.601 1.00 0.00 C ATOM 1317 CG ASN A 86 -5.002 14.869 -1.934 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.176 14.076 -2.402 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -5.743 14.594 -0.892 1.00 0.00 N ATOM 0 H ASN A 86 -8.142 15.193 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.554 17.117 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.421 16.461 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.385 16.955 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.654 13.691 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.410 15.283 -0.545 1.00 0.00 H new ATOM 1326 N PRO A 87 -5.467 15.054 -5.334 1.00 0.00 N ATOM 1327 CA PRO A 87 -5.362 14.078 -6.411 1.00 0.00 C ATOM 1328 C PRO A 87 -5.315 12.659 -5.863 1.00 0.00 C ATOM 1329 O PRO A 87 -5.780 11.715 -6.508 1.00 0.00 O ATOM 1330 CB PRO A 87 -4.067 14.457 -7.136 1.00 0.00 C ATOM 1331 CG PRO A 87 -3.918 15.919 -6.889 1.00 0.00 C ATOM 1332 CD PRO A 87 -4.436 16.143 -5.493 1.00 0.00 C ATOM 0 HA PRO A 87 -6.222 14.094 -7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -3.216 13.899 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.130 14.239 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.876 16.228 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.485 16.500 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.643 16.059 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.875 17.134 -5.380 1.00 0.00 H new ATOM 1340 N GLN A 88 -4.756 12.509 -4.665 1.00 0.00 N ATOM 1341 CA GLN A 88 -4.458 11.189 -4.120 1.00 0.00 C ATOM 1342 C GLN A 88 -5.581 10.703 -3.214 1.00 0.00 C ATOM 1343 O GLN A 88 -5.497 9.623 -2.632 1.00 0.00 O ATOM 1344 CB GLN A 88 -3.141 11.215 -3.338 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.946 11.687 -4.149 1.00 0.00 C ATOM 1346 CD GLN A 88 -1.700 10.825 -5.373 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -1.734 9.594 -5.300 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -1.447 11.469 -6.507 1.00 0.00 N ATOM 0 H GLN A 88 -4.501 13.285 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.364 10.499 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.258 11.866 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.936 10.214 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.107 12.719 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.057 11.680 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.429 12.489 -6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.271 10.944 -7.363 1.00 0.00 H new ATOM 1357 N GLY A 89 -6.635 11.504 -3.104 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.805 11.129 -2.318 1.00 0.00 C ATOM 1359 C GLY A 89 -8.383 12.325 -1.578 1.00 0.00 C ATOM 1360 O GLY A 89 -7.927 13.459 -1.760 1.00 0.00 O ATOM 0 H GLY A 89 -6.703 12.419 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.564 10.703 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.531 10.354 -1.602 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.386 12.075 -0.746 1.00 0.00 N ATOM 1365 CA ARG A 90 -10.050 13.141 -0.002 1.00 0.00 C ATOM 1366 C ARG A 90 -10.569 12.635 1.340 1.00 0.00 C ATOM 1367 O ARG A 90 -10.810 11.437 1.508 1.00 0.00 O ATOM 1368 CB ARG A 90 -11.153 13.805 -0.811 1.00 0.00 C ATOM 1369 CG ARG A 90 -12.326 12.902 -1.156 1.00 0.00 C ATOM 1370 CD ARG A 90 -13.382 13.554 -1.973 1.00 0.00 C ATOM 1371 NE ARG A 90 -14.550 12.724 -2.221 1.00 0.00 N ATOM 1372 CZ ARG A 90 -15.623 13.109 -2.938 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -15.699 14.319 -3.447 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -16.611 12.246 -3.098 1.00 0.00 N ATOM 0 H ARG A 90 -9.759 11.142 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.301 13.908 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.526 14.664 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.724 14.189 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.952 12.031 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.773 12.537 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.701 14.467 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.952 13.850 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.557 11.784 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.938 14.982 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.519 14.594 -3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.548 11.316 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.436 12.510 -3.636 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.735 13.548 2.286 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.343 13.218 3.571 1.00 0.00 C ATOM 1390 C VAL A 91 -12.041 14.429 4.178 1.00 0.00 C ATOM 1391 O VAL A 91 -11.528 15.547 4.114 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.299 12.684 4.570 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.332 13.788 4.969 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.983 12.107 5.800 1.00 0.00 C ATOM 0 H VAL A 91 -10.457 14.525 2.190 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.079 12.438 3.379 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.734 11.888 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.601 13.394 5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.817 14.159 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.884 14.604 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.230 11.735 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.573 12.884 6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.638 11.288 5.502 1.00 0.00 H new ATOM 1404 N SER A 92 -13.209 14.201 4.768 1.00 0.00 N ATOM 1405 CA SER A 92 -14.101 15.286 5.148 1.00 0.00 C ATOM 1406 C SER A 92 -14.543 15.158 6.598 1.00 0.00 C ATOM 1407 O SER A 92 -14.491 14.073 7.182 1.00 0.00 O ATOM 1408 CB SER A 92 -15.307 15.315 4.228 1.00 0.00 C ATOM 1409 OG SER A 92 -16.098 14.166 4.362 1.00 0.00 O ATOM 0 H SER A 92 -13.560 13.270 4.994 1.00 0.00 H new ATOM 0 HA SER A 92 -13.554 16.224 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.909 16.197 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.972 15.406 3.195 1.00 0.00 H new ATOM 0 HG SER A 92 -16.865 14.224 3.754 1.00 0.00 H new ATOM 1415 N CYS A 93 -14.978 16.271 7.181 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.499 16.269 8.544 1.00 0.00 C ATOM 1417 C CYS A 93 -16.551 17.355 8.733 1.00 0.00 C ATOM 1418 O CYS A 93 -16.366 18.495 8.304 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.256 16.572 9.382 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.553 16.645 11.164 1.00 0.00 S ATOM 0 H CYS A 93 -14.980 17.186 6.731 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.990 15.334 8.813 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.504 15.809 9.183 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.837 17.524 9.057 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.438 16.904 11.780 1.00 0.00 H new ATOM 1426 N THR A 94 -17.655 16.996 9.380 1.00 0.00 N ATOM 1427 CA THR A 94 -18.802 17.889 9.487 1.00 0.00 C ATOM 1428 C THR A 94 -18.505 19.058 10.415 1.00 0.00 C ATOM 1429 O THR A 94 -18.030 18.867 11.536 1.00 0.00 O ATOM 1430 CB THR A 94 -20.051 17.146 9.998 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.356 16.058 9.116 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.243 18.089 10.063 1.00 0.00 C ATOM 0 H THR A 94 -17.779 16.093 9.838 1.00 0.00 H new ATOM 0 HA THR A 94 -19.000 18.267 8.484 1.00 0.00 H new ATOM 0 HB THR A 94 -19.846 16.766 10.999 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.150 15.585 9.443 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.116 17.547 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.019 18.912 10.741 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.449 18.484 9.068 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.785 20.269 9.945 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.606 21.467 10.757 1.00 0.00 C ATOM 1442 C GLY A 95 -19.939 21.983 11.282 1.00 0.00 C ATOM 1443 O GLY A 95 -20.294 23.141 11.064 1.00 0.00 O ATOM 0 H GLY A 95 -19.137 20.447 9.004 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.944 21.246 11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.122 22.242 10.163 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.671 21.117 11.973 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.001 21.460 12.465 1.00 0.00 C ATOM 1449 C ARG A 96 -21.977 22.755 13.267 1.00 0.00 C ATOM 1450 O ARG A 96 -21.352 22.830 14.322 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.629 20.325 13.259 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.056 20.578 13.721 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.700 19.417 14.386 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.093 19.626 14.745 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.838 18.758 15.457 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.341 17.608 15.857 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.090 19.083 15.724 1.00 0.00 N ATOM 0 H ARG A 96 -20.366 20.172 12.206 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.633 21.621 11.592 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.615 19.423 12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.009 20.127 14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.058 21.423 14.410 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.658 20.868 12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.634 18.553 13.725 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.138 19.173 15.287 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.538 20.490 14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.378 17.362 15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.919 16.962 16.395 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.468 19.971 15.393 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.679 18.446 16.261 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.662 23.773 12.758 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.874 25.004 13.510 1.00 0.00 C ATOM 1473 C LEU A 97 -24.360 25.334 13.619 1.00 0.00 C ATOM 1474 O LEU A 97 -24.999 25.692 12.628 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.115 26.164 12.854 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.377 27.546 13.467 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.943 27.560 14.926 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.629 28.605 12.672 1.00 0.00 C ATOM 0 H LEU A 97 -23.080 23.770 11.828 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.488 24.856 14.519 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.047 25.956 12.910 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.378 26.197 11.797 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.444 27.766 13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.133 28.545 15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.507 26.810 15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.878 27.335 14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.816 29.586 13.108 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.560 28.393 12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.975 28.596 11.638 1.00 0.00 H new ATOM 1490 N MET A 98 -24.899 25.210 14.826 1.00 0.00 N ATOM 1491 CA MET A 98 -26.307 25.509 15.068 1.00 0.00 C ATOM 1492 C MET A 98 -26.485 26.927 15.596 1.00 0.00 C ATOM 1493 O MET A 98 -25.682 27.408 16.397 1.00 0.00 O ATOM 1494 CB MET A 98 -26.900 24.500 16.050 1.00 0.00 C ATOM 1495 CG MET A 98 -26.868 23.057 15.566 1.00 0.00 C ATOM 1496 SD MET A 98 -27.851 22.801 14.076 1.00 0.00 S ATOM 1497 CE MET A 98 -29.506 23.044 14.716 1.00 0.00 C ATOM 0 H MET A 98 -24.384 24.905 15.652 1.00 0.00 H new ATOM 0 HA MET A 98 -26.837 25.434 14.119 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.357 24.566 16.993 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.933 24.778 16.258 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.836 22.767 15.370 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.238 22.404 16.357 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.232 22.648 14.006 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.608 22.523 15.668 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.686 24.109 14.864 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.540 27.595 15.143 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.790 28.981 15.512 1.00 0.00 C ATOM 1509 C VAL A 99 -29.112 29.125 16.255 1.00 0.00 C ATOM 1510 O VAL A 99 -30.160 28.714 15.761 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.804 29.903 14.278 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.054 31.344 14.692 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.493 29.789 13.515 1.00 0.00 C ATOM 0 H VAL A 99 -28.239 27.195 14.516 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.973 29.281 16.168 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.615 29.588 13.622 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.060 31.981 13.807 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.017 31.415 15.198 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.264 31.671 15.368 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.519 30.447 12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.667 30.079 14.165 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.352 28.759 13.186 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.054 29.712 17.446 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.259 30.032 18.202 1.00 0.00 C ATOM 1525 C GLN A 100 -30.869 31.345 17.736 1.00 0.00 C ATOM 1526 O GLN A 100 -30.243 32.402 17.828 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.948 30.109 19.699 1.00 0.00 C ATOM 1528 CG GLN A 100 -31.069 30.698 20.538 1.00 0.00 C ATOM 1529 CD GLN A 100 -32.311 29.827 20.539 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -32.239 28.619 20.786 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -33.458 30.433 20.259 1.00 0.00 N ATOM 0 H GLN A 100 -28.184 29.976 17.909 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.981 29.235 18.026 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.724 29.107 20.064 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -29.049 30.709 19.842 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.721 30.831 21.562 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.323 31.687 20.157 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -33.471 31.434 20.061 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -34.326 29.898 20.242 1.00 0.00 H new