USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 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: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 36 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.0048) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.0032) USER MOD Single : A 5 SER OG : rot 100:sc= -1.04 USER MOD Single : A 7 THR OG1 : rot 31:sc= 0.0163 USER MOD Single : A 8 THR OG1 : rot -42:sc= -0.337! USER MOD Single : A 23 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-5.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc=-0.00919 (180deg=-0.441) USER MOD Single : A 46 ASN : amide:sc= -5.45 K(o=-5.4,f=-16!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -5.82! C(o=-5.8!,f=-11!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0148) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 150:sc= -2.38 USER MOD Single : B 5 SER OG : rot 100:sc= -0.988 USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : B 8 THR OG1 : rot -110:sc= -0.825 USER MOD Single : B 23 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-6!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -161:sc= -0.0197 (180deg=-0.478) USER MOD Single : B 46 ASN : amide:sc= -4.8 K(o=-4.8,f=-14!) USER MOD Single : B 48 GLN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : B 52 ASN : amide:sc= -5.86! C(o=-5.9!,f=-11!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0148) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 SER OG : rot -21:sc= -2.04 USER MOD ----------------------------------------------------------------- ATOM 58 N SER A 5 14.001 -6.260 -4.477 1.00 0.00 N ATOM 59 CA SER A 5 13.177 -5.264 -3.736 1.00 0.00 C ATOM 60 C SER A 5 12.532 -4.303 -4.735 1.00 0.00 C ATOM 61 O SER A 5 13.206 -3.653 -5.508 1.00 0.00 O ATOM 62 CB SER A 5 14.069 -4.478 -2.773 1.00 0.00 C ATOM 63 OG SER A 5 14.141 -5.163 -1.531 1.00 0.00 O ATOM 0 HA SER A 5 12.401 -5.779 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.067 -4.363 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.668 -3.475 -2.625 1.00 0.00 H new ATOM 0 HG SER A 5 14.980 -5.668 -1.484 1.00 0.00 H new ATOM 69 N ASP A 6 11.230 -4.214 -4.732 1.00 0.00 N ATOM 70 CA ASP A 6 10.538 -3.297 -5.685 1.00 0.00 C ATOM 71 C ASP A 6 9.174 -2.920 -5.116 1.00 0.00 C ATOM 72 O ASP A 6 8.975 -2.912 -3.918 1.00 0.00 O ATOM 73 CB ASP A 6 10.355 -3.997 -7.040 1.00 0.00 C ATOM 74 CG ASP A 6 11.670 -4.640 -7.488 1.00 0.00 C ATOM 75 OD1 ASP A 6 12.004 -5.687 -6.956 1.00 0.00 O ATOM 76 OD2 ASP A 6 12.303 -4.096 -8.377 1.00 0.00 O ATOM 0 H ASP A 6 10.614 -4.737 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 6 11.138 -2.398 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.578 -4.758 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.022 -3.277 -7.787 1.00 0.00 H new ATOM 81 N THR A 7 8.235 -2.593 -5.958 1.00 0.00 N ATOM 82 CA THR A 7 6.902 -2.205 -5.448 1.00 0.00 C ATOM 83 C THR A 7 6.209 -3.441 -4.864 1.00 0.00 C ATOM 84 O THR A 7 6.789 -4.505 -4.774 1.00 0.00 O ATOM 85 CB THR A 7 6.073 -1.603 -6.593 1.00 0.00 C ATOM 86 OG1 THR A 7 4.895 -1.005 -6.074 1.00 0.00 O ATOM 87 CG2 THR A 7 5.692 -2.694 -7.600 1.00 0.00 C ATOM 0 H THR A 7 8.337 -2.579 -6.973 1.00 0.00 H new ATOM 0 HA THR A 7 7.002 -1.455 -4.663 1.00 0.00 H new ATOM 0 HB THR A 7 6.672 -0.845 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.071 -0.665 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.105 -2.255 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.597 -3.141 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.103 -3.462 -7.099 1.00 0.00 H new ATOM 95 N THR A 8 4.978 -3.309 -4.466 1.00 0.00 N ATOM 96 CA THR A 8 4.251 -4.467 -3.890 1.00 0.00 C ATOM 97 C THR A 8 2.744 -4.210 -4.022 1.00 0.00 C ATOM 98 O THR A 8 2.229 -3.302 -3.400 1.00 0.00 O ATOM 99 CB THR A 8 4.624 -4.617 -2.416 1.00 0.00 C ATOM 100 OG1 THR A 8 5.983 -4.239 -2.241 1.00 0.00 O ATOM 101 CG2 THR A 8 4.431 -6.075 -1.987 1.00 0.00 C ATOM 0 H THR A 8 4.442 -2.443 -4.516 1.00 0.00 H new ATOM 0 HA THR A 8 4.518 -5.382 -4.418 1.00 0.00 H new ATOM 0 HB THR A 8 3.987 -3.978 -1.805 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.521 -4.603 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.697 -6.183 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.389 -6.361 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.070 -6.720 -2.591 1.00 0.00 H new ATOM 109 N PRO A 9 2.075 -5.003 -4.832 1.00 0.00 N ATOM 110 CA PRO A 9 0.629 -4.846 -5.050 1.00 0.00 C ATOM 111 C PRO A 9 -0.109 -4.830 -3.712 1.00 0.00 C ATOM 112 O PRO A 9 -0.541 -5.850 -3.212 1.00 0.00 O ATOM 113 CB PRO A 9 0.228 -6.067 -5.890 1.00 0.00 C ATOM 114 CG PRO A 9 1.529 -6.830 -6.256 1.00 0.00 C ATOM 115 CD PRO A 9 2.693 -6.114 -5.583 1.00 0.00 C ATOM 0 HA PRO A 9 0.378 -3.911 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.450 -6.712 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.300 -5.756 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.472 -7.865 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.668 -6.852 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.238 -6.785 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.407 -5.744 -6.319 1.00 0.00 H new ATOM 123 N CYS A 10 -0.253 -3.671 -3.128 1.00 0.00 N ATOM 124 CA CYS A 10 -0.956 -3.569 -1.823 1.00 0.00 C ATOM 125 C CYS A 10 -2.021 -2.494 -1.902 1.00 0.00 C ATOM 126 O CYS A 10 -1.788 -1.406 -2.389 1.00 0.00 O ATOM 127 CB CYS A 10 0.034 -3.180 -0.728 1.00 0.00 C ATOM 128 SG CYS A 10 0.956 -4.630 -0.164 1.00 0.00 S ATOM 0 H CYS A 10 0.089 -2.787 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.407 -4.534 -1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.725 -2.426 -1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.499 -2.732 0.110 1.00 0.00 H new ATOM 133 N CYS A 11 -3.182 -2.780 -1.407 1.00 0.00 N ATOM 134 CA CYS A 11 -4.257 -1.764 -1.436 1.00 0.00 C ATOM 135 C CYS A 11 -4.128 -0.903 -0.167 1.00 0.00 C ATOM 136 O CYS A 11 -3.498 -1.294 0.796 1.00 0.00 O ATOM 137 CB CYS A 11 -5.633 -2.472 -1.560 1.00 0.00 C ATOM 138 SG CYS A 11 -6.832 -1.924 -0.311 1.00 0.00 S ATOM 0 H CYS A 11 -3.434 -3.673 -0.983 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.171 -1.105 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.042 -2.287 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.490 -3.549 -1.470 1.00 0.00 H new ATOM 143 N PHE A 12 -4.723 0.256 -0.159 1.00 0.00 N ATOM 144 CA PHE A 12 -4.637 1.128 1.046 1.00 0.00 C ATOM 145 C PHE A 12 -6.053 1.426 1.546 1.00 0.00 C ATOM 146 O PHE A 12 -6.410 1.096 2.661 1.00 0.00 O ATOM 147 CB PHE A 12 -3.918 2.433 0.676 1.00 0.00 C ATOM 148 CG PHE A 12 -3.991 3.429 1.814 1.00 0.00 C ATOM 149 CD1 PHE A 12 -3.952 2.987 3.157 1.00 0.00 C ATOM 150 CD2 PHE A 12 -4.098 4.807 1.527 1.00 0.00 C ATOM 151 CE1 PHE A 12 -4.026 3.925 4.211 1.00 0.00 C ATOM 152 CE2 PHE A 12 -4.170 5.745 2.582 1.00 0.00 C ATOM 153 CZ PHE A 12 -4.136 5.303 3.923 1.00 0.00 C ATOM 0 H PHE A 12 -5.265 0.638 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.076 0.627 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.875 2.224 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.371 2.862 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.866 1.933 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.125 5.145 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.998 3.588 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.251 6.799 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.194 6.020 4.729 1.00 0.00 H new ATOM 163 N ALA A 13 -6.864 2.040 0.731 1.00 0.00 N ATOM 164 CA ALA A 13 -8.255 2.349 1.161 1.00 0.00 C ATOM 165 C ALA A 13 -9.189 1.255 0.668 1.00 0.00 C ATOM 166 O ALA A 13 -9.229 0.936 -0.504 1.00 0.00 O ATOM 167 CB ALA A 13 -8.688 3.697 0.581 1.00 0.00 C ATOM 0 H ALA A 13 -6.624 2.341 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.296 2.399 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.707 3.919 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.018 4.479 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.648 3.654 -0.507 1.00 0.00 H new ATOM 173 N TYR A 14 -9.936 0.669 1.558 1.00 0.00 N ATOM 174 CA TYR A 14 -10.862 -0.411 1.141 1.00 0.00 C ATOM 175 C TYR A 14 -12.147 0.218 0.594 1.00 0.00 C ATOM 176 O TYR A 14 -12.727 1.093 1.206 1.00 0.00 O ATOM 177 CB TYR A 14 -11.191 -1.320 2.336 1.00 0.00 C ATOM 178 CG TYR A 14 -9.956 -1.526 3.191 1.00 0.00 C ATOM 179 CD1 TYR A 14 -8.918 -2.380 2.747 1.00 0.00 C ATOM 180 CD2 TYR A 14 -9.842 -0.870 4.436 1.00 0.00 C ATOM 181 CE1 TYR A 14 -7.770 -2.572 3.548 1.00 0.00 C ATOM 182 CE2 TYR A 14 -8.693 -1.064 5.237 1.00 0.00 C ATOM 183 CZ TYR A 14 -7.657 -1.914 4.792 1.00 0.00 C ATOM 184 OH TYR A 14 -6.538 -2.107 5.575 1.00 0.00 O ATOM 0 H TYR A 14 -9.944 0.892 2.553 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.389 -1.015 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.986 -0.874 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.561 -2.282 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.004 -2.885 1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.633 -0.219 4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.978 -3.223 3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.608 -0.562 6.189 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.619 -1.580 6.397 1.00 0.00 H new ATOM 194 N ILE A 15 -12.592 -0.207 -0.560 1.00 0.00 N ATOM 195 CA ILE A 15 -13.832 0.388 -1.142 1.00 0.00 C ATOM 196 C ILE A 15 -14.979 0.296 -0.129 1.00 0.00 C ATOM 197 O ILE A 15 -15.819 1.170 -0.052 1.00 0.00 O ATOM 198 CB ILE A 15 -14.204 -0.350 -2.439 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.277 0.446 -3.184 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.739 -1.752 -2.126 1.00 0.00 C ATOM 201 CD1 ILE A 15 -14.710 0.943 -4.515 1.00 0.00 C ATOM 0 H ILE A 15 -12.153 -0.936 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.653 1.438 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 15 -13.312 -0.445 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.152 -0.179 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.605 1.291 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.997 -2.259 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.974 -2.324 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.627 -1.671 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.474 1.510 -5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.848 1.583 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.404 0.090 -5.121 1.00 0.00 H new ATOM 213 N ALA A 16 -15.025 -0.755 0.646 1.00 0.00 N ATOM 214 CA ALA A 16 -16.118 -0.899 1.646 1.00 0.00 C ATOM 215 C ALA A 16 -17.437 -1.151 0.919 1.00 0.00 C ATOM 216 O ALA A 16 -17.683 -0.619 -0.146 1.00 0.00 O ATOM 217 CB ALA A 16 -16.229 0.377 2.488 1.00 0.00 C ATOM 0 H ALA A 16 -14.351 -1.520 0.628 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.896 -1.739 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.031 0.263 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.288 0.552 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.447 1.224 1.838 1.00 0.00 H new ATOM 223 N ARG A 17 -18.281 -1.968 1.489 1.00 0.00 N ATOM 224 CA ARG A 17 -19.599 -2.284 0.854 1.00 0.00 C ATOM 225 C ARG A 17 -19.375 -3.261 -0.318 1.00 0.00 C ATOM 226 O ARG A 17 -18.612 -2.963 -1.214 1.00 0.00 O ATOM 227 CB ARG A 17 -20.261 -1.002 0.333 1.00 0.00 C ATOM 228 CG ARG A 17 -21.775 -1.086 0.540 1.00 0.00 C ATOM 229 CD ARG A 17 -22.362 0.326 0.599 1.00 0.00 C ATOM 230 NE ARG A 17 -21.827 1.135 -0.533 1.00 0.00 N ATOM 231 CZ ARG A 17 -21.645 2.420 -0.388 1.00 0.00 C ATOM 232 NH1 ARG A 17 -22.592 3.160 0.122 1.00 0.00 N ATOM 233 NH2 ARG A 17 -20.517 2.963 -0.753 1.00 0.00 N ATOM 0 H ARG A 17 -18.114 -2.437 2.379 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.253 -2.739 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.860 -0.135 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.035 -0.868 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -22.233 -1.648 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.997 -1.622 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -23.450 0.282 0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.108 0.797 1.549 1.00 0.00 H new ATOM 0 HE ARG A 17 -21.603 0.685 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.474 2.734 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -22.450 4.164 0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.778 2.384 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.374 3.967 -0.640 1.00 0.00 H new ATOM 247 N PRO A 18 -20.039 -4.405 -0.289 1.00 0.00 N ATOM 248 CA PRO A 18 -19.894 -5.409 -1.360 1.00 0.00 C ATOM 249 C PRO A 18 -20.219 -4.788 -2.722 1.00 0.00 C ATOM 250 O PRO A 18 -21.365 -4.656 -3.103 1.00 0.00 O ATOM 251 CB PRO A 18 -20.896 -6.517 -1.001 1.00 0.00 C ATOM 252 CG PRO A 18 -21.543 -6.149 0.356 1.00 0.00 C ATOM 253 CD PRO A 18 -20.976 -4.790 0.790 1.00 0.00 C ATOM 0 HA PRO A 18 -18.877 -5.794 -1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -21.658 -6.608 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.392 -7.481 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -22.628 -6.098 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -21.324 -6.911 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -21.768 -4.051 0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.464 -4.864 1.750 1.00 0.00 H new ATOM 261 N LEU A 19 -19.206 -4.403 -3.452 1.00 0.00 N ATOM 262 CA LEU A 19 -19.430 -3.783 -4.788 1.00 0.00 C ATOM 263 C LEU A 19 -20.220 -4.754 -5.685 1.00 0.00 C ATOM 264 O LEU A 19 -20.237 -5.940 -5.428 1.00 0.00 O ATOM 265 CB LEU A 19 -18.067 -3.437 -5.420 1.00 0.00 C ATOM 266 CG LEU A 19 -17.330 -4.700 -5.887 1.00 0.00 C ATOM 267 CD1 LEU A 19 -16.268 -4.310 -6.918 1.00 0.00 C ATOM 268 CD2 LEU A 19 -16.649 -5.367 -4.690 1.00 0.00 C ATOM 0 H LEU A 19 -18.228 -4.493 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 19 -20.011 -2.867 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.216 -2.767 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -17.453 -2.903 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.042 -5.394 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.741 -5.203 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.748 -3.830 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.558 -3.618 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.126 -6.264 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.935 -4.674 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.401 -5.639 -3.949 1.00 0.00 H new ATOM 280 N PRO A 20 -20.856 -4.228 -6.714 1.00 0.00 N ATOM 281 CA PRO A 20 -21.644 -5.060 -7.641 1.00 0.00 C ATOM 282 C PRO A 20 -20.764 -6.149 -8.259 1.00 0.00 C ATOM 283 O PRO A 20 -19.817 -5.869 -8.965 1.00 0.00 O ATOM 284 CB PRO A 20 -22.143 -4.087 -8.720 1.00 0.00 C ATOM 285 CG PRO A 20 -21.671 -2.664 -8.327 1.00 0.00 C ATOM 286 CD PRO A 20 -20.843 -2.785 -7.040 1.00 0.00 C ATOM 0 HA PRO A 20 -22.467 -5.570 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -21.748 -4.365 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.230 -4.123 -8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -21.074 -2.225 -9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -22.527 -2.007 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.826 -2.423 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -21.277 -2.194 -6.234 1.00 0.00 H new ATOM 294 N ARG A 21 -21.070 -7.390 -7.990 1.00 0.00 N ATOM 295 CA ARG A 21 -20.253 -8.506 -8.549 1.00 0.00 C ATOM 296 C ARG A 21 -20.371 -8.529 -10.073 1.00 0.00 C ATOM 297 O ARG A 21 -19.442 -8.887 -10.770 1.00 0.00 O ATOM 298 CB ARG A 21 -20.763 -9.835 -7.988 1.00 0.00 C ATOM 299 CG ARG A 21 -19.753 -10.942 -8.295 1.00 0.00 C ATOM 300 CD ARG A 21 -19.685 -11.911 -7.113 1.00 0.00 C ATOM 301 NE ARG A 21 -20.203 -13.245 -7.530 1.00 0.00 N ATOM 302 CZ ARG A 21 -21.472 -13.397 -7.802 1.00 0.00 C ATOM 303 NH1 ARG A 21 -22.361 -12.641 -7.219 1.00 0.00 N ATOM 304 NH2 ARG A 21 -21.849 -14.309 -8.656 1.00 0.00 N ATOM 0 H ARG A 21 -21.854 -7.680 -7.405 1.00 0.00 H new ATOM 0 HA ARG A 21 -19.210 -8.358 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -20.913 -9.754 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -21.730 -10.079 -8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -20.045 -11.475 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.770 -10.510 -8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.657 -12.002 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -20.272 -11.526 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.567 -14.039 -7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -22.066 -11.930 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -23.351 -12.761 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.154 -14.901 -9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.839 -14.429 -8.870 1.00 0.00 H new ATOM 318 N ALA A 22 -21.505 -8.162 -10.600 1.00 0.00 N ATOM 319 CA ALA A 22 -21.674 -8.175 -12.079 1.00 0.00 C ATOM 320 C ALA A 22 -20.704 -7.183 -12.722 1.00 0.00 C ATOM 321 O ALA A 22 -20.399 -7.273 -13.895 1.00 0.00 O ATOM 322 CB ALA A 22 -23.111 -7.783 -12.432 1.00 0.00 C ATOM 0 H ALA A 22 -22.321 -7.854 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 22 -21.465 -9.177 -12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -23.235 -7.792 -13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -23.803 -8.494 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -23.319 -6.783 -12.052 1.00 0.00 H new ATOM 328 N HIS A 23 -20.216 -6.237 -11.969 1.00 0.00 N ATOM 329 CA HIS A 23 -19.270 -5.245 -12.548 1.00 0.00 C ATOM 330 C HIS A 23 -17.827 -5.693 -12.306 1.00 0.00 C ATOM 331 O HIS A 23 -16.911 -5.207 -12.936 1.00 0.00 O ATOM 332 CB HIS A 23 -19.492 -3.882 -11.891 1.00 0.00 C ATOM 333 CG HIS A 23 -20.956 -3.537 -11.924 1.00 0.00 C ATOM 334 ND1 HIS A 23 -21.453 -2.365 -11.368 1.00 0.00 N ATOM 335 CD2 HIS A 23 -22.042 -4.195 -12.449 1.00 0.00 C ATOM 336 CE1 HIS A 23 -22.777 -2.350 -11.566 1.00 0.00 C ATOM 337 NE2 HIS A 23 -23.189 -3.445 -12.221 1.00 0.00 N ATOM 0 H HIS A 23 -20.431 -6.109 -10.980 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.448 -5.170 -13.621 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.136 -3.901 -10.861 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -18.916 -3.118 -12.413 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.009 -5.146 -12.959 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -23.431 -1.555 -11.239 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.144 -3.678 -12.494 1.00 0.00 H new ATOM 345 N ILE A 24 -17.607 -6.613 -11.402 1.00 0.00 N ATOM 346 CA ILE A 24 -16.209 -7.065 -11.145 1.00 0.00 C ATOM 347 C ILE A 24 -15.804 -8.097 -12.188 1.00 0.00 C ATOM 348 O ILE A 24 -16.613 -8.590 -12.950 1.00 0.00 O ATOM 349 CB ILE A 24 -16.075 -7.695 -9.755 1.00 0.00 C ATOM 350 CG1 ILE A 24 -16.944 -6.949 -8.738 1.00 0.00 C ATOM 351 CG2 ILE A 24 -14.607 -7.630 -9.316 1.00 0.00 C ATOM 352 CD1 ILE A 24 -16.745 -7.567 -7.350 1.00 0.00 C ATOM 0 H ILE A 24 -18.326 -7.065 -10.837 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.560 -6.191 -11.200 1.00 0.00 H new ATOM 0 HB ILE A 24 -16.408 -8.732 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.676 -5.893 -8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -17.993 -7.007 -9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.503 -8.077 -8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.990 -8.177 -10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.284 -6.590 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -17.362 -7.038 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.034 -8.618 -7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.697 -7.486 -7.062 1.00 0.00 H new ATOM 364 N LYS A 25 -14.547 -8.415 -12.229 1.00 0.00 N ATOM 365 CA LYS A 25 -14.051 -9.399 -13.219 1.00 0.00 C ATOM 366 C LYS A 25 -13.273 -10.514 -12.503 1.00 0.00 C ATOM 367 O LYS A 25 -13.243 -11.644 -12.945 1.00 0.00 O ATOM 368 CB LYS A 25 -13.129 -8.661 -14.186 1.00 0.00 C ATOM 369 CG LYS A 25 -13.544 -8.947 -15.631 1.00 0.00 C ATOM 370 CD LYS A 25 -12.395 -8.582 -16.572 1.00 0.00 C ATOM 371 CE LYS A 25 -12.957 -8.219 -17.950 1.00 0.00 C ATOM 372 NZ LYS A 25 -11.987 -8.623 -19.007 1.00 0.00 N ATOM 0 H LYS A 25 -13.833 -8.030 -11.611 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.884 -9.852 -13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.170 -7.589 -13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.097 -8.974 -14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.802 -10.000 -15.745 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.434 -8.372 -15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.831 -7.743 -16.165 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.703 -9.419 -16.659 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.912 -8.720 -18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.146 -7.147 -18.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.370 -8.376 -19.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.086 -8.126 -18.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.828 -9.650 -18.958 1.00 0.00 H new ATOM 386 N GLU A 26 -12.633 -10.198 -11.406 1.00 0.00 N ATOM 387 CA GLU A 26 -11.843 -11.220 -10.663 1.00 0.00 C ATOM 388 C GLU A 26 -11.487 -10.644 -9.290 1.00 0.00 C ATOM 389 O GLU A 26 -12.118 -9.716 -8.826 1.00 0.00 O ATOM 390 CB GLU A 26 -10.550 -11.571 -11.436 1.00 0.00 C ATOM 391 CG GLU A 26 -10.171 -10.488 -12.462 1.00 0.00 C ATOM 392 CD GLU A 26 -10.475 -10.979 -13.882 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.102 -12.018 -14.010 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.074 -10.307 -14.816 1.00 0.00 O ATOM 0 H GLU A 26 -12.625 -9.266 -10.991 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.430 -12.131 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.731 -11.701 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.683 -12.524 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.727 -9.573 -12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.112 -10.245 -12.372 1.00 0.00 H new ATOM 401 N TYR A 27 -10.473 -11.156 -8.643 1.00 0.00 N ATOM 402 CA TYR A 27 -10.090 -10.598 -7.334 1.00 0.00 C ATOM 403 C TYR A 27 -8.615 -10.889 -7.098 1.00 0.00 C ATOM 404 O TYR A 27 -7.963 -11.499 -7.923 1.00 0.00 O ATOM 405 CB TYR A 27 -10.927 -11.246 -6.230 1.00 0.00 C ATOM 406 CG TYR A 27 -10.723 -12.741 -6.275 1.00 0.00 C ATOM 407 CD1 TYR A 27 -9.629 -13.324 -5.596 1.00 0.00 C ATOM 408 CD2 TYR A 27 -11.597 -13.551 -7.032 1.00 0.00 C ATOM 409 CE1 TYR A 27 -9.412 -14.718 -5.671 1.00 0.00 C ATOM 410 CE2 TYR A 27 -11.378 -14.944 -7.112 1.00 0.00 C ATOM 411 CZ TYR A 27 -10.285 -15.529 -6.432 1.00 0.00 C ATOM 412 OH TYR A 27 -10.070 -16.889 -6.511 1.00 0.00 O ATOM 0 H TYR A 27 -9.901 -11.934 -8.972 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.265 -9.522 -7.322 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.634 -10.855 -5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.981 -11.005 -6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.959 -12.704 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.433 -13.105 -7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.579 -15.164 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.046 -15.563 -7.693 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.762 -17.297 -7.073 1.00 0.00 H new ATOM 422 N PHE A 28 -8.072 -10.462 -5.993 1.00 0.00 N ATOM 423 CA PHE A 28 -6.636 -10.734 -5.756 1.00 0.00 C ATOM 424 C PHE A 28 -6.322 -10.642 -4.258 1.00 0.00 C ATOM 425 O PHE A 28 -5.822 -9.640 -3.784 1.00 0.00 O ATOM 426 CB PHE A 28 -5.796 -9.711 -6.540 1.00 0.00 C ATOM 427 CG PHE A 28 -4.343 -9.785 -6.119 1.00 0.00 C ATOM 428 CD1 PHE A 28 -3.572 -10.928 -6.427 1.00 0.00 C ATOM 429 CD2 PHE A 28 -3.771 -8.723 -5.386 1.00 0.00 C ATOM 430 CE1 PHE A 28 -2.227 -11.006 -6.002 1.00 0.00 C ATOM 431 CE2 PHE A 28 -2.425 -8.800 -4.964 1.00 0.00 C ATOM 432 CZ PHE A 28 -1.653 -9.942 -5.271 1.00 0.00 C ATOM 0 H PHE A 28 -8.554 -9.945 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.393 -11.741 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.881 -9.904 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.181 -8.706 -6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.010 -11.741 -6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.362 -7.851 -5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.637 -11.880 -6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.986 -7.986 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.624 -10.002 -4.947 1.00 0.00 H new ATOM 442 N TYR A 29 -6.590 -11.676 -3.510 1.00 0.00 N ATOM 443 CA TYR A 29 -6.286 -11.631 -2.052 1.00 0.00 C ATOM 444 C TYR A 29 -4.811 -11.287 -1.856 1.00 0.00 C ATOM 445 O TYR A 29 -3.935 -11.857 -2.475 1.00 0.00 O ATOM 446 CB TYR A 29 -6.585 -12.992 -1.421 1.00 0.00 C ATOM 447 CG TYR A 29 -6.173 -12.991 0.033 1.00 0.00 C ATOM 448 CD1 TYR A 29 -6.985 -12.358 0.999 1.00 0.00 C ATOM 449 CD2 TYR A 29 -4.972 -13.623 0.425 1.00 0.00 C ATOM 450 CE1 TYR A 29 -6.597 -12.357 2.357 1.00 0.00 C ATOM 451 CE2 TYR A 29 -4.584 -13.623 1.782 1.00 0.00 C ATOM 452 CZ TYR A 29 -5.396 -12.989 2.749 1.00 0.00 C ATOM 453 OH TYR A 29 -5.016 -12.988 4.076 1.00 0.00 O ATOM 0 H TYR A 29 -7.004 -12.547 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.905 -10.872 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.649 -13.215 -1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.051 -13.776 -1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.903 -11.874 0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.350 -14.106 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.219 -11.873 3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.666 -14.108 2.081 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.166 -13.467 4.173 1.00 0.00 H new ATOM 463 N THR A 30 -4.539 -10.358 -0.992 1.00 0.00 N ATOM 464 CA THR A 30 -3.125 -9.963 -0.736 1.00 0.00 C ATOM 465 C THR A 30 -2.485 -10.964 0.227 1.00 0.00 C ATOM 466 O THR A 30 -3.010 -11.241 1.287 1.00 0.00 O ATOM 467 CB THR A 30 -3.087 -8.565 -0.117 1.00 0.00 C ATOM 468 OG1 THR A 30 -3.977 -7.711 -0.820 1.00 0.00 O ATOM 469 CG2 THR A 30 -1.665 -8.006 -0.208 1.00 0.00 C ATOM 0 H THR A 30 -5.236 -9.850 -0.447 1.00 0.00 H new ATOM 0 HA THR A 30 -2.574 -9.957 -1.676 1.00 0.00 H new ATOM 0 HB THR A 30 -3.389 -8.622 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.954 -6.816 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.637 -7.010 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.981 -8.661 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.363 -7.949 -1.254 1.00 0.00 H new ATOM 477 N SER A 31 -1.355 -11.508 -0.133 1.00 0.00 N ATOM 478 CA SER A 31 -0.684 -12.491 0.765 1.00 0.00 C ATOM 479 C SER A 31 -0.421 -11.841 2.124 1.00 0.00 C ATOM 480 O SER A 31 -1.073 -12.143 3.104 1.00 0.00 O ATOM 481 CB SER A 31 0.644 -12.928 0.143 1.00 0.00 C ATOM 482 OG SER A 31 0.396 -13.898 -0.864 1.00 0.00 O ATOM 0 H SER A 31 -0.868 -11.315 -1.008 1.00 0.00 H new ATOM 0 HA SER A 31 -1.327 -13.362 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.159 -12.067 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.298 -13.343 0.910 1.00 0.00 H new ATOM 0 HG SER A 31 1.245 -14.178 -1.265 1.00 0.00 H new ATOM 488 N GLY A 32 0.529 -10.950 2.193 1.00 0.00 N ATOM 489 CA GLY A 32 0.830 -10.281 3.490 1.00 0.00 C ATOM 490 C GLY A 32 2.231 -9.669 3.442 1.00 0.00 C ATOM 491 O GLY A 32 3.113 -10.057 4.183 1.00 0.00 O ATOM 0 H GLY A 32 1.110 -10.656 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.091 -9.506 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.765 -11.001 4.305 1.00 0.00 H new ATOM 495 N LYS A 33 2.442 -8.714 2.580 1.00 0.00 N ATOM 496 CA LYS A 33 3.786 -8.076 2.490 1.00 0.00 C ATOM 497 C LYS A 33 3.741 -6.706 3.168 1.00 0.00 C ATOM 498 O LYS A 33 4.519 -6.415 4.054 1.00 0.00 O ATOM 499 CB LYS A 33 4.174 -7.904 1.019 1.00 0.00 C ATOM 500 CG LYS A 33 4.386 -9.278 0.382 1.00 0.00 C ATOM 501 CD LYS A 33 5.770 -9.335 -0.266 1.00 0.00 C ATOM 502 CE LYS A 33 5.792 -10.433 -1.332 1.00 0.00 C ATOM 503 NZ LYS A 33 7.149 -10.508 -1.943 1.00 0.00 N ATOM 0 H LYS A 33 1.743 -8.347 1.934 1.00 0.00 H new ATOM 0 HA LYS A 33 4.523 -8.707 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.392 -7.362 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.085 -7.310 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.295 -10.058 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.615 -9.466 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.012 -8.372 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.529 -9.533 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.529 -11.392 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.047 -10.224 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.163 -11.254 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.383 -9.595 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.850 -10.727 -1.206 1.00 0.00 H new ATOM 517 N CYS A 34 2.832 -5.864 2.760 1.00 0.00 N ATOM 518 CA CYS A 34 2.736 -4.513 3.383 1.00 0.00 C ATOM 519 C CYS A 34 1.915 -4.613 4.669 1.00 0.00 C ATOM 520 O CYS A 34 1.761 -5.676 5.237 1.00 0.00 O ATOM 521 CB CYS A 34 2.039 -3.534 2.428 1.00 0.00 C ATOM 522 SG CYS A 34 2.581 -3.807 0.719 1.00 0.00 S ATOM 0 H CYS A 34 2.152 -6.052 2.023 1.00 0.00 H new ATOM 0 HA CYS A 34 3.741 -4.151 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.958 -3.659 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.260 -2.509 2.725 1.00 0.00 H new ATOM 527 N SER A 35 1.379 -3.515 5.127 1.00 0.00 N ATOM 528 CA SER A 35 0.558 -3.547 6.370 1.00 0.00 C ATOM 529 C SER A 35 -0.905 -3.278 6.012 1.00 0.00 C ATOM 530 O SER A 35 -1.666 -2.763 6.807 1.00 0.00 O ATOM 531 CB SER A 35 1.055 -2.472 7.340 1.00 0.00 C ATOM 532 OG SER A 35 0.980 -2.965 8.670 1.00 0.00 O ATOM 0 H SER A 35 1.474 -2.597 4.694 1.00 0.00 H new ATOM 0 HA SER A 35 0.646 -4.525 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.082 -2.197 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.452 -1.570 7.240 1.00 0.00 H new ATOM 0 HG SER A 35 1.299 -2.278 9.292 1.00 0.00 H new ATOM 538 N ASN A 36 -1.302 -3.621 4.816 1.00 0.00 N ATOM 539 CA ASN A 36 -2.712 -3.386 4.396 1.00 0.00 C ATOM 540 C ASN A 36 -3.294 -4.678 3.804 1.00 0.00 C ATOM 541 O ASN A 36 -3.761 -4.675 2.683 1.00 0.00 O ATOM 542 CB ASN A 36 -2.750 -2.281 3.338 1.00 0.00 C ATOM 543 CG ASN A 36 -2.554 -0.923 4.016 1.00 0.00 C ATOM 544 OD1 ASN A 36 -1.438 -0.497 4.238 1.00 0.00 O ATOM 545 ND2 ASN A 36 -3.600 -0.222 4.356 1.00 0.00 N ATOM 0 H ASN A 36 -0.708 -4.055 4.110 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.303 -3.085 5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.969 -2.446 2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.702 -2.302 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.481 0.684 4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.537 -0.580 4.169 1.00 0.00 H new ATOM 552 N PRO A 37 -3.267 -5.748 4.574 1.00 0.00 N ATOM 553 CA PRO A 37 -3.811 -7.035 4.115 1.00 0.00 C ATOM 554 C PRO A 37 -5.271 -6.845 3.706 1.00 0.00 C ATOM 555 O PRO A 37 -6.052 -6.254 4.425 1.00 0.00 O ATOM 556 CB PRO A 37 -3.697 -7.971 5.328 1.00 0.00 C ATOM 557 CG PRO A 37 -2.999 -7.180 6.466 1.00 0.00 C ATOM 558 CD PRO A 37 -2.707 -5.765 5.943 1.00 0.00 C ATOM 0 HA PRO A 37 -3.282 -7.439 3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.684 -8.309 5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.123 -8.861 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.637 -7.137 7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.075 -7.675 6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.174 -5.006 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.637 -5.558 5.936 1.00 0.00 H new ATOM 566 N ALA A 38 -5.647 -7.317 2.550 1.00 0.00 N ATOM 567 CA ALA A 38 -7.052 -7.129 2.104 1.00 0.00 C ATOM 568 C ALA A 38 -7.344 -8.055 0.921 1.00 0.00 C ATOM 569 O ALA A 38 -6.816 -9.145 0.831 1.00 0.00 O ATOM 570 CB ALA A 38 -7.239 -5.662 1.697 1.00 0.00 C ATOM 0 H ALA A 38 -5.045 -7.822 1.899 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.743 -7.375 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.266 -5.504 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.030 -5.018 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.555 -5.420 0.884 1.00 0.00 H new ATOM 576 N VAL A 39 -8.165 -7.627 0.006 1.00 0.00 N ATOM 577 CA VAL A 39 -8.478 -8.455 -1.169 1.00 0.00 C ATOM 578 C VAL A 39 -8.636 -7.459 -2.295 1.00 0.00 C ATOM 579 O VAL A 39 -9.126 -6.365 -2.082 1.00 0.00 O ATOM 580 CB VAL A 39 -9.746 -9.294 -0.905 1.00 0.00 C ATOM 581 CG1 VAL A 39 -11.012 -8.634 -1.471 1.00 0.00 C ATOM 582 CG2 VAL A 39 -9.570 -10.680 -1.524 1.00 0.00 C ATOM 0 H VAL A 39 -8.636 -6.722 0.031 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.708 -9.187 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.875 -9.370 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.876 -9.263 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.152 -7.658 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.908 -8.512 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.463 -11.277 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.414 -10.582 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.707 -11.172 -1.076 1.00 0.00 H new ATOM 592 N VAL A 40 -8.174 -7.774 -3.454 1.00 0.00 N ATOM 593 CA VAL A 40 -8.251 -6.763 -4.532 1.00 0.00 C ATOM 594 C VAL A 40 -9.139 -7.207 -5.684 1.00 0.00 C ATOM 595 O VAL A 40 -8.849 -8.138 -6.400 1.00 0.00 O ATOM 596 CB VAL A 40 -6.826 -6.458 -4.996 1.00 0.00 C ATOM 597 CG1 VAL A 40 -6.801 -5.932 -6.425 1.00 0.00 C ATOM 598 CG2 VAL A 40 -6.259 -5.380 -4.079 1.00 0.00 C ATOM 0 H VAL A 40 -7.753 -8.668 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.718 -5.858 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.241 -7.377 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.772 -5.727 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.228 -6.678 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.385 -5.014 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.241 -5.140 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.878 -4.485 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.253 -5.743 -3.051 1.00 0.00 H new ATOM 608 N PHE A 41 -10.200 -6.494 -5.891 1.00 0.00 N ATOM 609 CA PHE A 41 -11.089 -6.823 -7.013 1.00 0.00 C ATOM 610 C PHE A 41 -10.526 -6.222 -8.283 1.00 0.00 C ATOM 611 O PHE A 41 -10.005 -5.129 -8.303 1.00 0.00 O ATOM 612 CB PHE A 41 -12.487 -6.255 -6.756 1.00 0.00 C ATOM 613 CG PHE A 41 -13.261 -7.173 -5.843 1.00 0.00 C ATOM 614 CD1 PHE A 41 -13.736 -8.414 -6.322 1.00 0.00 C ATOM 615 CD2 PHE A 41 -13.565 -6.762 -4.526 1.00 0.00 C ATOM 616 CE1 PHE A 41 -14.517 -9.243 -5.486 1.00 0.00 C ATOM 617 CE2 PHE A 41 -14.338 -7.594 -3.687 1.00 0.00 C ATOM 618 CZ PHE A 41 -14.819 -8.833 -4.168 1.00 0.00 C ATOM 0 H PHE A 41 -10.487 -5.695 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.159 -7.906 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -12.409 -5.265 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -13.019 -6.136 -7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.502 -8.729 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.206 -5.811 -4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.883 -10.190 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -14.562 -7.283 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.417 -9.466 -3.529 1.00 0.00 H new ATOM 628 N VAL A 42 -10.648 -6.943 -9.339 1.00 0.00 N ATOM 629 CA VAL A 42 -10.163 -6.468 -10.655 1.00 0.00 C ATOM 630 C VAL A 42 -11.418 -6.412 -11.544 1.00 0.00 C ATOM 631 O VAL A 42 -11.775 -7.372 -12.197 1.00 0.00 O ATOM 632 CB VAL A 42 -9.125 -7.443 -11.228 1.00 0.00 C ATOM 633 CG1 VAL A 42 -7.751 -6.789 -11.175 1.00 0.00 C ATOM 634 CG2 VAL A 42 -9.069 -8.741 -10.417 1.00 0.00 C ATOM 0 H VAL A 42 -11.075 -7.869 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.670 -5.498 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.412 -7.680 -12.252 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.006 -7.474 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.761 -5.873 -11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.501 -6.551 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.324 -9.409 -10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.798 -8.514 -9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.045 -9.225 -10.437 1.00 0.00 H new ATOM 644 N THR A 43 -12.137 -5.320 -11.491 1.00 0.00 N ATOM 645 CA THR A 43 -13.435 -5.209 -12.240 1.00 0.00 C ATOM 646 C THR A 43 -13.253 -4.934 -13.729 1.00 0.00 C ATOM 647 O THR A 43 -12.211 -5.174 -14.303 1.00 0.00 O ATOM 648 CB THR A 43 -14.269 -4.081 -11.617 1.00 0.00 C ATOM 649 OG1 THR A 43 -13.721 -2.825 -11.990 1.00 0.00 O ATOM 650 CG2 THR A 43 -14.266 -4.208 -10.090 1.00 0.00 C ATOM 0 H THR A 43 -11.881 -4.490 -10.957 1.00 0.00 H new ATOM 0 HA THR A 43 -13.938 -6.172 -12.158 1.00 0.00 H new ATOM 0 HB THR A 43 -15.295 -4.154 -11.978 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.254 -2.105 -11.594 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.860 -3.403 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.693 -5.169 -9.804 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.242 -4.142 -9.721 1.00 0.00 H new ATOM 658 N ARG A 44 -14.304 -4.458 -14.363 1.00 0.00 N ATOM 659 CA ARG A 44 -14.252 -4.178 -15.827 1.00 0.00 C ATOM 660 C ARG A 44 -12.993 -3.377 -16.144 1.00 0.00 C ATOM 661 O ARG A 44 -12.091 -3.867 -16.794 1.00 0.00 O ATOM 662 CB ARG A 44 -15.499 -3.396 -16.280 1.00 0.00 C ATOM 663 CG ARG A 44 -15.990 -2.453 -15.172 1.00 0.00 C ATOM 664 CD ARG A 44 -16.197 -1.048 -15.747 1.00 0.00 C ATOM 665 NE ARG A 44 -16.940 -0.213 -14.762 1.00 0.00 N ATOM 666 CZ ARG A 44 -17.417 0.949 -15.117 1.00 0.00 C ATOM 667 NH1 ARG A 44 -16.687 1.765 -15.828 1.00 0.00 N ATOM 668 NH2 ARG A 44 -18.622 1.298 -14.756 1.00 0.00 N ATOM 0 H ARG A 44 -15.199 -4.252 -13.920 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.230 -5.126 -16.365 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.266 -2.820 -17.176 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.293 -4.094 -16.547 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.924 -2.826 -14.751 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.264 -2.421 -14.360 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.234 -0.591 -15.974 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.752 -1.105 -16.684 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.076 -0.550 -13.809 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.744 1.495 -16.106 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.060 2.673 -16.105 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.191 0.663 -14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.995 2.206 -15.033 1.00 0.00 H new ATOM 682 N LYS A 45 -12.885 -2.169 -15.645 1.00 0.00 N ATOM 683 CA LYS A 45 -11.627 -1.394 -15.883 1.00 0.00 C ATOM 684 C LYS A 45 -10.481 -2.275 -15.378 1.00 0.00 C ATOM 685 O LYS A 45 -9.374 -2.253 -15.880 1.00 0.00 O ATOM 686 CB LYS A 45 -11.660 -0.077 -15.105 1.00 0.00 C ATOM 687 CG LYS A 45 -11.025 1.029 -15.950 1.00 0.00 C ATOM 688 CD LYS A 45 -9.994 1.787 -15.110 1.00 0.00 C ATOM 689 CE LYS A 45 -9.626 3.096 -15.811 1.00 0.00 C ATOM 690 NZ LYS A 45 -9.298 2.821 -17.237 1.00 0.00 N ATOM 0 H LYS A 45 -13.599 -1.693 -15.093 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.507 -1.148 -16.938 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.688 0.185 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.122 -0.185 -14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.547 0.599 -16.830 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.793 1.715 -16.307 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.398 1.994 -14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.103 1.175 -14.969 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.455 3.801 -15.747 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.774 3.560 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.737 3.607 -17.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.750 1.939 -17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.178 2.724 -17.783 1.00 0.00 H new ATOM 704 N ASN A 46 -10.797 -3.094 -14.406 1.00 0.00 N ATOM 705 CA ASN A 46 -9.829 -4.055 -13.841 1.00 0.00 C ATOM 706 C ASN A 46 -8.779 -3.362 -13.022 1.00 0.00 C ATOM 707 O ASN A 46 -7.758 -3.939 -12.705 1.00 0.00 O ATOM 708 CB ASN A 46 -9.167 -4.847 -14.969 1.00 0.00 C ATOM 709 CG ASN A 46 -9.617 -6.309 -14.923 1.00 0.00 C ATOM 710 OD1 ASN A 46 -10.281 -6.727 -13.996 1.00 0.00 O ATOM 711 ND2 ASN A 46 -9.284 -7.112 -15.897 1.00 0.00 N ATOM 0 H ASN A 46 -11.720 -3.129 -13.974 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.373 -4.734 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.428 -4.409 -15.932 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.083 -4.790 -14.876 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.581 -8.087 -15.878 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.726 -6.764 -16.677 1.00 0.00 H new ATOM 718 N ARG A 47 -9.042 -2.166 -12.585 1.00 0.00 N ATOM 719 CA ARG A 47 -8.062 -1.519 -11.676 1.00 0.00 C ATOM 720 C ARG A 47 -7.978 -2.473 -10.494 1.00 0.00 C ATOM 721 O ARG A 47 -8.814 -3.352 -10.381 1.00 0.00 O ATOM 722 CB ARG A 47 -8.570 -0.148 -11.227 1.00 0.00 C ATOM 723 CG ARG A 47 -8.525 0.824 -12.406 1.00 0.00 C ATOM 724 CD ARG A 47 -7.166 1.525 -12.434 1.00 0.00 C ATOM 725 NE ARG A 47 -6.205 0.713 -13.233 1.00 0.00 N ATOM 726 CZ ARG A 47 -4.979 1.126 -13.393 1.00 0.00 C ATOM 727 NH1 ARG A 47 -4.705 2.019 -14.304 1.00 0.00 N ATOM 728 NH2 ARG A 47 -4.025 0.647 -12.641 1.00 0.00 N ATOM 0 H ARG A 47 -9.873 -1.619 -12.811 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.095 -1.347 -12.149 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.589 -0.232 -10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.957 0.228 -10.408 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.689 0.287 -13.340 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.324 1.560 -12.316 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.267 2.520 -12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.792 1.656 -11.419 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.507 -0.166 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.450 2.394 -14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.746 2.342 -14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.239 -0.051 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.066 0.970 -12.766 1.00 0.00 H new ATOM 742 N GLN A 48 -7.009 -2.379 -9.647 1.00 0.00 N ATOM 743 CA GLN A 48 -6.978 -3.364 -8.550 1.00 0.00 C ATOM 744 C GLN A 48 -7.773 -2.827 -7.379 1.00 0.00 C ATOM 745 O GLN A 48 -7.264 -2.491 -6.331 1.00 0.00 O ATOM 746 CB GLN A 48 -5.549 -3.718 -8.193 1.00 0.00 C ATOM 747 CG GLN A 48 -5.204 -4.984 -8.976 1.00 0.00 C ATOM 748 CD GLN A 48 -3.743 -5.371 -8.740 1.00 0.00 C ATOM 749 OE1 GLN A 48 -3.456 -6.463 -8.293 1.00 0.00 O ATOM 750 NE2 GLN A 48 -2.800 -4.516 -9.028 1.00 0.00 N ATOM 0 H GLN A 48 -6.259 -1.688 -9.661 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.447 -4.296 -8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.872 -2.905 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.448 -3.886 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.858 -5.800 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.377 -4.821 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.041 -3.599 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.822 -4.765 -8.878 1.00 0.00 H new ATOM 759 N VAL A 49 -9.048 -2.770 -7.593 1.00 0.00 N ATOM 760 CA VAL A 49 -9.996 -2.274 -6.571 1.00 0.00 C ATOM 761 C VAL A 49 -9.737 -3.000 -5.242 1.00 0.00 C ATOM 762 O VAL A 49 -9.060 -4.007 -5.195 1.00 0.00 O ATOM 763 CB VAL A 49 -11.450 -2.526 -7.026 1.00 0.00 C ATOM 764 CG1 VAL A 49 -12.306 -1.363 -6.540 1.00 0.00 C ATOM 765 CG2 VAL A 49 -11.579 -2.620 -8.573 1.00 0.00 C ATOM 0 H VAL A 49 -9.489 -3.058 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.850 -1.202 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.776 -3.478 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.340 -1.518 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.258 -1.305 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.934 -0.433 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.620 -2.798 -8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.243 -1.686 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.964 -3.442 -8.940 1.00 0.00 H new ATOM 775 N CYS A 50 -10.265 -2.487 -4.167 1.00 0.00 N ATOM 776 CA CYS A 50 -10.056 -3.123 -2.836 1.00 0.00 C ATOM 777 C CYS A 50 -11.418 -3.361 -2.180 1.00 0.00 C ATOM 778 O CYS A 50 -12.438 -2.972 -2.709 1.00 0.00 O ATOM 779 CB CYS A 50 -9.252 -2.175 -1.954 1.00 0.00 C ATOM 780 SG CYS A 50 -8.356 -3.126 -0.711 1.00 0.00 S ATOM 0 H CYS A 50 -10.839 -1.644 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.525 -4.067 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.553 -1.601 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.917 -1.459 -1.470 1.00 0.00 H new ATOM 785 N ALA A 51 -11.457 -3.978 -1.022 1.00 0.00 N ATOM 786 CA ALA A 51 -12.771 -4.197 -0.357 1.00 0.00 C ATOM 787 C ALA A 51 -12.615 -5.031 0.907 1.00 0.00 C ATOM 788 O ALA A 51 -13.466 -5.826 1.229 1.00 0.00 O ATOM 789 CB ALA A 51 -13.721 -4.904 -1.323 1.00 0.00 C ATOM 0 H ALA A 51 -10.645 -4.333 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.180 -3.226 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.683 -5.064 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.862 -4.288 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.297 -5.865 -1.612 1.00 0.00 H new ATOM 795 N ASN A 52 -11.566 -4.826 1.654 1.00 0.00 N ATOM 796 CA ASN A 52 -11.397 -5.584 2.927 1.00 0.00 C ATOM 797 C ASN A 52 -11.233 -7.088 2.648 1.00 0.00 C ATOM 798 O ASN A 52 -11.869 -7.612 1.757 1.00 0.00 O ATOM 799 CB ASN A 52 -12.649 -5.366 3.782 1.00 0.00 C ATOM 800 CG ASN A 52 -12.453 -5.986 5.167 1.00 0.00 C ATOM 801 OD1 ASN A 52 -12.462 -7.192 5.311 1.00 0.00 O ATOM 802 ND2 ASN A 52 -12.276 -5.207 6.198 1.00 0.00 N ATOM 0 H ASN A 52 -10.818 -4.167 1.439 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.505 -5.230 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.853 -4.299 3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.515 -5.813 3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.145 -5.611 7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.268 -4.194 6.077 1.00 0.00 H new ATOM 809 N PRO A 53 -10.381 -7.747 3.417 1.00 0.00 N ATOM 810 CA PRO A 53 -10.138 -9.186 3.247 1.00 0.00 C ATOM 811 C PRO A 53 -11.215 -10.015 3.954 1.00 0.00 C ATOM 812 O PRO A 53 -11.793 -10.919 3.385 1.00 0.00 O ATOM 813 CB PRO A 53 -8.805 -9.423 3.962 1.00 0.00 C ATOM 814 CG PRO A 53 -8.588 -8.225 4.918 1.00 0.00 C ATOM 815 CD PRO A 53 -9.578 -7.126 4.498 1.00 0.00 C ATOM 0 HA PRO A 53 -10.140 -9.472 2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.826 -10.361 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.989 -9.496 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.759 -8.522 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.562 -7.863 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.207 -6.817 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.057 -6.236 4.145 1.00 0.00 H new ATOM 823 N GLU A 54 -11.455 -9.735 5.212 1.00 0.00 N ATOM 824 CA GLU A 54 -12.454 -10.529 5.986 1.00 0.00 C ATOM 825 C GLU A 54 -13.769 -9.762 6.162 1.00 0.00 C ATOM 826 O GLU A 54 -14.334 -9.727 7.237 1.00 0.00 O ATOM 827 CB GLU A 54 -11.875 -10.847 7.364 1.00 0.00 C ATOM 828 CG GLU A 54 -12.510 -12.131 7.899 1.00 0.00 C ATOM 829 CD GLU A 54 -11.809 -12.544 9.193 1.00 0.00 C ATOM 830 OE1 GLU A 54 -10.686 -12.116 9.397 1.00 0.00 O ATOM 831 OE2 GLU A 54 -12.410 -13.278 9.961 1.00 0.00 O ATOM 0 H GLU A 54 -10.999 -8.988 5.736 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.665 -11.444 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.793 -10.964 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.065 -10.021 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.573 -11.975 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.428 -12.926 7.158 1.00 0.00 H new ATOM 838 N LYS A 55 -14.276 -9.172 5.119 1.00 0.00 N ATOM 839 CA LYS A 55 -15.569 -8.437 5.232 1.00 0.00 C ATOM 840 C LYS A 55 -16.717 -9.370 4.824 1.00 0.00 C ATOM 841 O LYS A 55 -17.749 -8.932 4.359 1.00 0.00 O ATOM 842 CB LYS A 55 -15.551 -7.209 4.322 1.00 0.00 C ATOM 843 CG LYS A 55 -15.486 -5.942 5.178 1.00 0.00 C ATOM 844 CD LYS A 55 -16.902 -5.517 5.575 1.00 0.00 C ATOM 845 CE LYS A 55 -16.823 -4.348 6.558 1.00 0.00 C ATOM 846 NZ LYS A 55 -18.200 -3.957 6.978 1.00 0.00 N ATOM 0 H LYS A 55 -13.853 -9.165 4.191 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.712 -8.110 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.693 -7.252 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.444 -7.193 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.887 -6.124 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.997 -5.141 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.468 -5.225 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.431 -6.354 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.232 -4.631 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.319 -3.501 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.146 -3.162 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.750 -3.671 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.665 -4.765 7.438 1.00 0.00 H new ATOM 860 N LYS A 56 -16.538 -10.655 5.007 1.00 0.00 N ATOM 861 CA LYS A 56 -17.604 -11.639 4.653 1.00 0.00 C ATOM 862 C LYS A 56 -17.924 -11.584 3.152 1.00 0.00 C ATOM 863 O LYS A 56 -17.374 -12.332 2.370 1.00 0.00 O ATOM 864 CB LYS A 56 -18.869 -11.337 5.462 1.00 0.00 C ATOM 865 CG LYS A 56 -18.666 -11.778 6.913 1.00 0.00 C ATOM 866 CD LYS A 56 -17.611 -10.889 7.574 1.00 0.00 C ATOM 867 CE LYS A 56 -17.761 -10.965 9.095 1.00 0.00 C ATOM 868 NZ LYS A 56 -17.335 -12.311 9.570 1.00 0.00 N ATOM 0 H LYS A 56 -15.688 -11.067 5.391 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.244 -12.640 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.092 -10.271 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.723 -11.858 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.607 -11.712 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.351 -12.821 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.612 -11.211 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.726 -9.859 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.157 -10.192 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.797 -10.779 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.372 -12.340 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.972 -13.034 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.362 -12.499 9.253 1.00 0.00 H new ATOM 882 N TRP A 57 -18.827 -10.726 2.753 1.00 0.00 N ATOM 883 CA TRP A 57 -19.217 -10.633 1.311 1.00 0.00 C ATOM 884 C TRP A 57 -17.989 -10.679 0.385 1.00 0.00 C ATOM 885 O TRP A 57 -18.043 -11.247 -0.688 1.00 0.00 O ATOM 886 CB TRP A 57 -20.017 -9.343 1.094 1.00 0.00 C ATOM 887 CG TRP A 57 -19.136 -8.162 1.204 1.00 0.00 C ATOM 888 CD1 TRP A 57 -19.117 -7.264 2.212 1.00 0.00 C ATOM 889 CD2 TRP A 57 -18.268 -7.658 0.186 1.00 0.00 C ATOM 890 NE1 TRP A 57 -18.236 -6.246 1.882 1.00 0.00 N ATOM 891 CE2 TRP A 57 -17.694 -6.439 0.629 1.00 0.00 C ATOM 892 CE3 TRP A 57 -17.925 -8.154 -1.084 1.00 0.00 C ATOM 893 CZ2 TRP A 57 -16.806 -5.719 -0.186 1.00 0.00 C ATOM 894 CZ3 TRP A 57 -17.052 -7.441 -1.911 1.00 0.00 C ATOM 895 CH2 TRP A 57 -16.495 -6.219 -1.469 1.00 0.00 C ATOM 0 H TRP A 57 -19.317 -10.078 3.370 1.00 0.00 H new ATOM 0 HA TRP A 57 -19.835 -11.495 1.058 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -20.489 -9.362 0.112 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -20.818 -9.277 1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -19.692 -7.328 3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -18.017 -5.456 2.488 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.339 -9.092 -1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.367 -4.796 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.803 -7.824 -2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.829 -5.666 -2.115 1.00 0.00 H new ATOM 906 N VAL A 58 -16.890 -10.094 0.773 1.00 0.00 N ATOM 907 CA VAL A 58 -15.684 -10.130 -0.121 1.00 0.00 C ATOM 908 C VAL A 58 -15.301 -11.572 -0.430 1.00 0.00 C ATOM 909 O VAL A 58 -15.100 -11.928 -1.566 1.00 0.00 O ATOM 910 CB VAL A 58 -14.476 -9.444 0.522 1.00 0.00 C ATOM 911 CG1 VAL A 58 -14.453 -7.984 0.107 1.00 0.00 C ATOM 912 CG2 VAL A 58 -14.537 -9.559 2.035 1.00 0.00 C ATOM 0 H VAL A 58 -16.768 -9.598 1.656 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.951 -9.597 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.564 -9.935 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.595 -7.490 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -14.378 -7.915 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -15.370 -7.497 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.669 -9.065 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.448 -9.084 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.538 -10.611 2.320 1.00 0.00 H new ATOM 922 N ARG A 59 -15.180 -12.401 0.571 1.00 0.00 N ATOM 923 CA ARG A 59 -14.797 -13.817 0.315 1.00 0.00 C ATOM 924 C ARG A 59 -15.937 -14.511 -0.429 1.00 0.00 C ATOM 925 O ARG A 59 -15.720 -15.396 -1.232 1.00 0.00 O ATOM 926 CB ARG A 59 -14.535 -14.525 1.645 1.00 0.00 C ATOM 927 CG ARG A 59 -13.080 -14.303 2.061 1.00 0.00 C ATOM 928 CD ARG A 59 -12.750 -15.184 3.266 1.00 0.00 C ATOM 929 NE ARG A 59 -11.292 -15.495 3.269 1.00 0.00 N ATOM 930 CZ ARG A 59 -10.695 -15.811 4.385 1.00 0.00 C ATOM 931 NH1 ARG A 59 -11.261 -16.644 5.215 1.00 0.00 N ATOM 932 NH2 ARG A 59 -9.529 -15.297 4.670 1.00 0.00 N ATOM 0 H ARG A 59 -15.329 -12.160 1.551 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.891 -13.854 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.207 -14.141 2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.738 -15.591 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.414 -14.540 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.918 -13.254 2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.026 -14.674 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.330 -16.106 3.225 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.761 -15.461 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.170 -17.048 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.794 -16.891 6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.085 -14.648 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.062 -15.544 5.543 1.00 0.00 H new ATOM 946 N GLU A 60 -17.148 -14.098 -0.181 1.00 0.00 N ATOM 947 CA GLU A 60 -18.305 -14.715 -0.886 1.00 0.00 C ATOM 948 C GLU A 60 -18.237 -14.344 -2.371 1.00 0.00 C ATOM 949 O GLU A 60 -18.851 -14.973 -3.209 1.00 0.00 O ATOM 950 CB GLU A 60 -19.610 -14.188 -0.288 1.00 0.00 C ATOM 951 CG GLU A 60 -19.999 -15.034 0.926 1.00 0.00 C ATOM 952 CD GLU A 60 -21.399 -14.635 1.397 1.00 0.00 C ATOM 953 OE1 GLU A 60 -21.541 -13.532 1.897 1.00 0.00 O ATOM 954 OE2 GLU A 60 -22.304 -15.440 1.246 1.00 0.00 O ATOM 0 H GLU A 60 -17.387 -13.359 0.480 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.271 -15.799 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.492 -13.145 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.403 -14.220 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.979 -16.093 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -19.278 -14.889 1.730 1.00 0.00 H new ATOM 961 N TYR A 61 -17.487 -13.324 -2.699 1.00 0.00 N ATOM 962 CA TYR A 61 -17.363 -12.906 -4.119 1.00 0.00 C ATOM 963 C TYR A 61 -16.128 -13.583 -4.705 1.00 0.00 C ATOM 964 O TYR A 61 -16.079 -13.925 -5.869 1.00 0.00 O ATOM 965 CB TYR A 61 -17.189 -11.386 -4.189 1.00 0.00 C ATOM 966 CG TYR A 61 -18.530 -10.698 -4.064 1.00 0.00 C ATOM 967 CD1 TYR A 61 -19.452 -11.097 -3.066 1.00 0.00 C ATOM 968 CD2 TYR A 61 -18.846 -9.621 -4.922 1.00 0.00 C ATOM 969 CE1 TYR A 61 -20.685 -10.422 -2.932 1.00 0.00 C ATOM 970 CE2 TYR A 61 -20.080 -8.948 -4.788 1.00 0.00 C ATOM 971 CZ TYR A 61 -20.999 -9.347 -3.793 1.00 0.00 C ATOM 972 OH TYR A 61 -22.203 -8.685 -3.660 1.00 0.00 O ATOM 0 H TYR A 61 -16.953 -12.762 -2.036 1.00 0.00 H new ATOM 0 HA TYR A 61 -18.255 -13.190 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -16.525 -11.052 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -16.718 -11.110 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -19.212 -11.918 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -18.143 -9.312 -5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -21.388 -10.728 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -20.321 -8.127 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 61 -22.260 -7.971 -4.329 1.00 0.00 H new ATOM 982 N ILE A 62 -15.129 -13.781 -3.889 1.00 0.00 N ATOM 983 CA ILE A 62 -13.885 -14.440 -4.368 1.00 0.00 C ATOM 984 C ILE A 62 -14.236 -15.813 -4.956 1.00 0.00 C ATOM 985 O ILE A 62 -13.897 -16.122 -6.080 1.00 0.00 O ATOM 986 CB ILE A 62 -12.926 -14.603 -3.180 1.00 0.00 C ATOM 987 CG1 ILE A 62 -12.430 -13.225 -2.736 1.00 0.00 C ATOM 988 CG2 ILE A 62 -11.725 -15.463 -3.581 1.00 0.00 C ATOM 989 CD1 ILE A 62 -11.584 -13.371 -1.469 1.00 0.00 C ATOM 0 H ILE A 62 -15.123 -13.512 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.408 -13.836 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.457 -15.091 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.840 -12.766 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -13.277 -12.565 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.054 -15.570 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.071 -16.447 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.194 -14.985 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.231 -12.390 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.189 -13.812 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.729 -14.016 -1.674 1.00 0.00 H new ATOM 1001 N ASN A 63 -14.908 -16.639 -4.200 1.00 0.00 N ATOM 1002 CA ASN A 63 -15.274 -17.989 -4.715 1.00 0.00 C ATOM 1003 C ASN A 63 -16.457 -17.872 -5.678 1.00 0.00 C ATOM 1004 O ASN A 63 -16.588 -18.640 -6.611 1.00 0.00 O ATOM 1005 CB ASN A 63 -15.657 -18.892 -3.541 1.00 0.00 C ATOM 1006 CG ASN A 63 -14.389 -19.460 -2.901 1.00 0.00 C ATOM 1007 OD1 ASN A 63 -14.061 -20.614 -3.094 1.00 0.00 O ATOM 1008 ND2 ASN A 63 -13.655 -18.691 -2.144 1.00 0.00 N ATOM 0 H ASN A 63 -15.219 -16.437 -3.250 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.423 -18.418 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.227 -18.326 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.298 -19.703 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.806 -19.059 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.930 -17.722 -1.982 1.00 0.00 H new ATOM 1015 N SER A 64 -17.322 -16.920 -5.460 1.00 0.00 N ATOM 1016 CA SER A 64 -18.495 -16.759 -6.366 1.00 0.00 C ATOM 1017 C SER A 64 -18.045 -16.187 -7.715 1.00 0.00 C ATOM 1018 O SER A 64 -18.801 -16.156 -8.666 1.00 0.00 O ATOM 1019 CB SER A 64 -19.508 -15.808 -5.723 1.00 0.00 C ATOM 1020 OG SER A 64 -20.633 -15.662 -6.577 1.00 0.00 O ATOM 0 H SER A 64 -17.268 -16.247 -4.695 1.00 0.00 H new ATOM 0 HA SER A 64 -18.955 -17.734 -6.528 1.00 0.00 H new ATOM 0 HB2 SER A 64 -19.822 -16.196 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 64 -19.047 -14.837 -5.543 1.00 0.00 H new ATOM 0 HG SER A 64 -21.433 -15.490 -6.038 1.00 0.00 H new ATOM 1026 N LEU A 65 -16.824 -15.729 -7.812 1.00 0.00 N ATOM 1027 CA LEU A 65 -16.345 -15.162 -9.104 1.00 0.00 C ATOM 1028 C LEU A 65 -15.810 -16.288 -9.990 1.00 0.00 C ATOM 1029 O LEU A 65 -14.998 -17.089 -9.571 1.00 0.00 O ATOM 1030 CB LEU A 65 -15.228 -14.152 -8.834 1.00 0.00 C ATOM 1031 CG LEU A 65 -15.829 -12.755 -8.668 1.00 0.00 C ATOM 1032 CD1 LEU A 65 -14.722 -11.762 -8.308 1.00 0.00 C ATOM 1033 CD2 LEU A 65 -16.493 -12.326 -9.979 1.00 0.00 C ATOM 0 H LEU A 65 -16.141 -15.724 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 65 -17.172 -14.664 -9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.680 -14.432 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.513 -14.156 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.574 -12.773 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.150 -10.767 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.249 -12.067 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.977 -11.744 -9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.921 -11.331 -9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.749 -12.309 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.282 -13.033 -10.235 1.00 0.00 H new ATOM 1147 N SER B 5 -11.206 3.054 -4.288 1.00 0.00 N ATOM 1148 CA SER B 5 -10.330 2.169 -3.471 1.00 0.00 C ATOM 1149 C SER B 5 -9.750 1.073 -4.364 1.00 0.00 C ATOM 1150 O SER B 5 -10.471 0.322 -4.990 1.00 0.00 O ATOM 1151 CB SER B 5 -11.153 1.533 -2.348 1.00 0.00 C ATOM 1152 OG SER B 5 -11.143 2.385 -1.213 1.00 0.00 O ATOM 0 HA SER B 5 -9.519 2.754 -3.037 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.177 1.367 -2.682 1.00 0.00 H new ATOM 0 HB3 SER B 5 -10.741 0.558 -2.088 1.00 0.00 H new ATOM 0 HG SER B 5 -11.978 2.897 -1.181 1.00 0.00 H new ATOM 1158 N ASP B 6 -8.450 0.978 -4.437 1.00 0.00 N ATOM 1159 CA ASP B 6 -7.819 -0.067 -5.295 1.00 0.00 C ATOM 1160 C ASP B 6 -6.418 -0.367 -4.771 1.00 0.00 C ATOM 1161 O ASP B 6 -6.139 -0.207 -3.599 1.00 0.00 O ATOM 1162 CB ASP B 6 -7.732 0.432 -6.744 1.00 0.00 C ATOM 1163 CG ASP B 6 -9.077 1.013 -7.189 1.00 0.00 C ATOM 1164 OD1 ASP B 6 -9.379 2.126 -6.790 1.00 0.00 O ATOM 1165 OD2 ASP B 6 -9.766 0.349 -7.945 1.00 0.00 O ATOM 0 H ASP B 6 -7.795 1.581 -3.938 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.423 -0.974 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -6.955 1.192 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -7.448 -0.389 -7.402 1.00 0.00 H new ATOM 1170 N THR B 7 -5.536 -0.813 -5.620 1.00 0.00 N ATOM 1171 CA THR B 7 -4.171 -1.131 -5.150 1.00 0.00 C ATOM 1172 C THR B 7 -3.445 0.171 -4.795 1.00 0.00 C ATOM 1173 O THR B 7 -4.021 1.240 -4.819 1.00 0.00 O ATOM 1174 CB THR B 7 -3.417 -1.894 -6.253 1.00 0.00 C ATOM 1175 OG1 THR B 7 -2.204 -2.418 -5.734 1.00 0.00 O ATOM 1176 CG2 THR B 7 -3.110 -0.958 -7.427 1.00 0.00 C ATOM 0 H THR B 7 -5.705 -0.969 -6.614 1.00 0.00 H new ATOM 0 HA THR B 7 -4.216 -1.760 -4.261 1.00 0.00 H new ATOM 0 HB THR B 7 -4.044 -2.713 -6.604 1.00 0.00 H new ATOM 0 HG1 THR B 7 -1.729 -2.904 -6.440 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.576 -1.509 -8.202 1.00 0.00 H new ATOM 0 HG22 THR B 7 -4.043 -0.569 -7.836 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.492 -0.130 -7.080 1.00 0.00 H new ATOM 1184 N THR B 8 -2.190 0.090 -4.465 1.00 0.00 N ATOM 1185 CA THR B 8 -1.430 1.315 -4.109 1.00 0.00 C ATOM 1186 C THR B 8 0.066 1.033 -4.303 1.00 0.00 C ATOM 1187 O THR B 8 0.625 0.218 -3.596 1.00 0.00 O ATOM 1188 CB THR B 8 -1.704 1.672 -2.649 1.00 0.00 C ATOM 1189 OG1 THR B 8 -3.046 1.331 -2.331 1.00 0.00 O ATOM 1190 CG2 THR B 8 -1.489 3.175 -2.445 1.00 0.00 C ATOM 0 H THR B 8 -1.655 -0.777 -4.426 1.00 0.00 H new ATOM 0 HA THR B 8 -1.735 2.148 -4.743 1.00 0.00 H new ATOM 0 HB THR B 8 -1.025 1.121 -1.999 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.570 2.149 -2.204 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.684 3.432 -1.404 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.460 3.433 -2.696 1.00 0.00 H new ATOM 0 HG23 THR B 8 -2.170 3.731 -3.090 1.00 0.00 H new ATOM 1198 N PRO B 9 0.675 1.700 -5.261 1.00 0.00 N ATOM 1199 CA PRO B 9 2.103 1.506 -5.552 1.00 0.00 C ATOM 1200 C PRO B 9 2.930 1.674 -4.277 1.00 0.00 C ATOM 1201 O PRO B 9 3.391 2.753 -3.956 1.00 0.00 O ATOM 1202 CB PRO B 9 2.443 2.595 -6.580 1.00 0.00 C ATOM 1203 CG PRO B 9 1.116 3.305 -6.963 1.00 0.00 C ATOM 1204 CD PRO B 9 0.002 2.697 -6.118 1.00 0.00 C ATOM 0 HA PRO B 9 2.322 0.508 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO B 9 3.153 3.309 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO B 9 2.912 2.157 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO B 9 1.191 4.377 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO B 9 0.905 3.174 -8.024 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -0.500 3.458 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -0.759 2.231 -6.744 1.00 0.00 H new ATOM 1212 N CYS B 10 3.118 0.609 -3.547 1.00 0.00 N ATOM 1213 CA CYS B 10 3.909 0.689 -2.290 1.00 0.00 C ATOM 1214 C CYS B 10 4.970 -0.393 -2.288 1.00 0.00 C ATOM 1215 O CYS B 10 4.710 -1.536 -2.601 1.00 0.00 O ATOM 1216 CB CYS B 10 2.996 0.463 -1.087 1.00 0.00 C ATOM 1217 SG CYS B 10 2.106 1.982 -0.673 1.00 0.00 S ATOM 0 H CYS B 10 2.755 -0.318 -3.770 1.00 0.00 H new ATOM 0 HA CYS B 10 4.371 1.674 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.285 -0.333 -1.307 1.00 0.00 H new ATOM 0 HB3 CYS B 10 3.587 0.136 -0.231 1.00 0.00 H new ATOM 1222 N CYS B 11 6.160 -0.046 -1.917 1.00 0.00 N ATOM 1223 CA CYS B 11 7.235 -1.061 -1.876 1.00 0.00 C ATOM 1224 C CYS B 11 7.197 -1.734 -0.491 1.00 0.00 C ATOM 1225 O CYS B 11 6.631 -1.207 0.447 1.00 0.00 O ATOM 1226 CB CYS B 11 8.596 -0.385 -2.191 1.00 0.00 C ATOM 1227 SG CYS B 11 9.880 -0.756 -0.960 1.00 0.00 S ATOM 0 H CYS B 11 6.436 0.896 -1.640 1.00 0.00 H new ATOM 0 HA CYS B 11 7.093 -1.834 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS B 11 8.938 -0.711 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS B 11 8.455 0.694 -2.245 1.00 0.00 H new ATOM 1232 N PHE B 12 7.794 -2.883 -0.360 1.00 0.00 N ATOM 1233 CA PHE B 12 7.793 -3.577 0.959 1.00 0.00 C ATOM 1234 C PHE B 12 9.241 -3.808 1.400 1.00 0.00 C ATOM 1235 O PHE B 12 9.670 -3.325 2.429 1.00 0.00 O ATOM 1236 CB PHE B 12 7.056 -4.916 0.826 1.00 0.00 C ATOM 1237 CG PHE B 12 7.210 -5.742 2.085 1.00 0.00 C ATOM 1238 CD1 PHE B 12 7.258 -5.115 3.353 1.00 0.00 C ATOM 1239 CD2 PHE B 12 7.304 -7.147 1.989 1.00 0.00 C ATOM 1240 CE1 PHE B 12 7.408 -5.895 4.521 1.00 0.00 C ATOM 1241 CE2 PHE B 12 7.452 -7.928 3.159 1.00 0.00 C ATOM 1242 CZ PHE B 12 7.505 -7.302 4.424 1.00 0.00 C ATOM 0 H PHE B 12 8.283 -3.374 -1.108 1.00 0.00 H new ATOM 0 HA PHE B 12 7.284 -2.968 1.706 1.00 0.00 H new ATOM 0 HB2 PHE B 12 5.999 -4.736 0.631 1.00 0.00 H new ATOM 0 HB3 PHE B 12 7.448 -5.469 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE B 12 7.180 -4.040 3.427 1.00 0.00 H new ATOM 0 HD2 PHE B 12 7.263 -7.626 1.022 1.00 0.00 H new ATOM 0 HE1 PHE B 12 7.449 -5.416 5.488 1.00 0.00 H new ATOM 0 HE2 PHE B 12 7.524 -9.003 3.085 1.00 0.00 H new ATOM 0 HZ PHE B 12 7.620 -7.898 5.317 1.00 0.00 H new ATOM 1252 N ALA B 13 9.998 -4.536 0.627 1.00 0.00 N ATOM 1253 CA ALA B 13 11.416 -4.788 1.002 1.00 0.00 C ATOM 1254 C ALA B 13 12.309 -3.778 0.298 1.00 0.00 C ATOM 1255 O ALA B 13 12.269 -3.627 -0.907 1.00 0.00 O ATOM 1256 CB ALA B 13 11.815 -6.206 0.591 1.00 0.00 C ATOM 0 H ALA B 13 9.696 -4.967 -0.247 1.00 0.00 H new ATOM 0 HA ALA B 13 11.531 -4.685 2.081 1.00 0.00 H new ATOM 0 HB1 ALA B 13 12.854 -6.386 0.867 1.00 0.00 H new ATOM 0 HB2 ALA B 13 11.174 -6.926 1.100 1.00 0.00 H new ATOM 0 HB3 ALA B 13 11.702 -6.318 -0.487 1.00 0.00 H new ATOM 1262 N TYR B 14 13.113 -3.078 1.045 1.00 0.00 N ATOM 1263 CA TYR B 14 14.005 -2.072 0.419 1.00 0.00 C ATOM 1264 C TYR B 14 15.253 -2.778 -0.118 1.00 0.00 C ATOM 1265 O TYR B 14 15.875 -3.562 0.571 1.00 0.00 O ATOM 1266 CB TYR B 14 14.409 -1.007 1.451 1.00 0.00 C ATOM 1267 CG TYR B 14 13.233 -0.674 2.348 1.00 0.00 C ATOM 1268 CD1 TYR B 14 12.164 0.112 1.859 1.00 0.00 C ATOM 1269 CD2 TYR B 14 13.205 -1.148 3.680 1.00 0.00 C ATOM 1270 CE1 TYR B 14 11.070 0.420 2.699 1.00 0.00 C ATOM 1271 CE2 TYR B 14 12.113 -0.837 4.519 1.00 0.00 C ATOM 1272 CZ TYR B 14 11.044 -0.054 4.028 1.00 0.00 C ATOM 1273 OH TYR B 14 9.979 0.254 4.850 1.00 0.00 O ATOM 0 H TYR B 14 13.190 -3.160 2.059 1.00 0.00 H new ATOM 0 HA TYR B 14 13.480 -1.580 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR B 14 15.243 -1.370 2.052 1.00 0.00 H new ATOM 0 HB3 TYR B 14 14.752 -0.107 0.940 1.00 0.00 H new ATOM 0 HD1 TYR B 14 12.184 0.477 0.843 1.00 0.00 H new ATOM 0 HD2 TYR B 14 14.020 -1.749 4.056 1.00 0.00 H new ATOM 0 HE1 TYR B 14 10.253 1.019 2.324 1.00 0.00 H new ATOM 0 HE2 TYR B 14 12.095 -1.198 5.537 1.00 0.00 H new ATOM 0 HH TYR B 14 10.118 -0.151 5.731 1.00 0.00 H new ATOM 1283 N ILE B 15 15.620 -2.520 -1.345 1.00 0.00 N ATOM 1284 CA ILE B 15 16.821 -3.195 -1.919 1.00 0.00 C ATOM 1285 C ILE B 15 18.035 -2.966 -1.008 1.00 0.00 C ATOM 1286 O ILE B 15 18.880 -3.826 -0.860 1.00 0.00 O ATOM 1287 CB ILE B 15 17.101 -2.652 -3.331 1.00 0.00 C ATOM 1288 CG1 ILE B 15 18.125 -3.552 -4.026 1.00 0.00 C ATOM 1289 CG2 ILE B 15 17.651 -1.223 -3.257 1.00 0.00 C ATOM 1290 CD1 ILE B 15 17.470 -4.228 -5.233 1.00 0.00 C ATOM 0 H ILE B 15 15.142 -1.874 -1.973 1.00 0.00 H new ATOM 0 HA ILE B 15 16.632 -4.266 -1.987 1.00 0.00 H new ATOM 0 HB ILE B 15 16.168 -2.642 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE B 15 18.985 -2.964 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE B 15 18.496 -4.305 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE B 15 17.843 -0.855 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE B 15 16.922 -0.577 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE B 15 18.579 -1.220 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE B 15 18.198 -4.870 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE B 15 16.624 -4.829 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE B 15 17.121 -3.467 -5.931 1.00 0.00 H new ATOM 1302 N ALA B 16 18.130 -1.814 -0.397 1.00 0.00 N ATOM 1303 CA ALA B 16 19.287 -1.535 0.498 1.00 0.00 C ATOM 1304 C ALA B 16 20.557 -1.410 -0.343 1.00 0.00 C ATOM 1305 O ALA B 16 20.736 -2.112 -1.320 1.00 0.00 O ATOM 1306 CB ALA B 16 19.451 -2.677 1.507 1.00 0.00 C ATOM 0 H ALA B 16 17.454 -1.055 -0.481 1.00 0.00 H new ATOM 0 HA ALA B 16 19.111 -0.604 1.037 1.00 0.00 H new ATOM 0 HB1 ALA B 16 20.299 -2.467 2.159 1.00 0.00 H new ATOM 0 HB2 ALA B 16 18.545 -2.765 2.107 1.00 0.00 H new ATOM 0 HB3 ALA B 16 19.626 -3.611 0.974 1.00 0.00 H new ATOM 1312 N ARG B 17 21.433 -0.513 0.029 1.00 0.00 N ATOM 1313 CA ARG B 17 22.701 -0.311 -0.732 1.00 0.00 C ATOM 1314 C ARG B 17 22.397 0.486 -2.014 1.00 0.00 C ATOM 1315 O ARG B 17 21.598 0.053 -2.820 1.00 0.00 O ATOM 1316 CB ARG B 17 23.330 -1.660 -1.101 1.00 0.00 C ATOM 1317 CG ARG B 17 24.854 -1.553 -1.007 1.00 0.00 C ATOM 1318 CD ARG B 17 25.449 -2.945 -0.788 1.00 0.00 C ATOM 1319 NE ARG B 17 24.842 -3.902 -1.754 1.00 0.00 N ATOM 1320 CZ ARG B 17 24.674 -5.152 -1.416 1.00 0.00 C ATOM 1321 NH1 ARG B 17 25.654 -5.818 -0.870 1.00 0.00 N ATOM 1322 NH2 ARG B 17 23.523 -5.733 -1.623 1.00 0.00 N ATOM 0 H ARG B 17 21.321 0.096 0.839 1.00 0.00 H new ATOM 0 HA ARG B 17 23.406 0.239 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG B 17 22.967 -2.439 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG B 17 23.036 -1.947 -2.111 1.00 0.00 H new ATOM 0 HG2 ARG B 17 25.256 -1.113 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG B 17 25.133 -0.893 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG B 17 26.530 -2.915 -0.921 1.00 0.00 H new ATOM 0 HD3 ARG B 17 25.262 -3.275 0.234 1.00 0.00 H new ATOM 0 HE ARG B 17 24.558 -3.581 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG B 17 26.552 -5.362 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG B 17 25.522 -6.794 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG B 17 22.757 -5.210 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG B 17 23.390 -6.709 -1.360 1.00 0.00 H new ATOM 1336 N PRO B 18 23.035 1.631 -2.176 1.00 0.00 N ATOM 1337 CA PRO B 18 22.818 2.475 -3.364 1.00 0.00 C ATOM 1338 C PRO B 18 23.057 1.670 -4.642 1.00 0.00 C ATOM 1339 O PRO B 18 24.177 1.482 -5.077 1.00 0.00 O ATOM 1340 CB PRO B 18 23.833 3.617 -3.224 1.00 0.00 C ATOM 1341 CG PRO B 18 24.552 3.445 -1.863 1.00 0.00 C ATOM 1342 CD PRO B 18 24.013 2.172 -1.207 1.00 0.00 C ATOM 0 HA PRO B 18 21.797 2.851 -3.429 1.00 0.00 H new ATOM 0 HB2 PRO B 18 24.553 3.591 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO B 18 23.330 4.583 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO B 18 25.630 3.374 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO B 18 24.372 4.310 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO B 18 24.813 1.458 -1.013 1.00 0.00 H new ATOM 0 HD3 PRO B 18 23.541 2.390 -0.249 1.00 0.00 H new ATOM 1350 N LEU B 19 22.002 1.188 -5.243 1.00 0.00 N ATOM 1351 CA LEU B 19 22.139 0.385 -6.490 1.00 0.00 C ATOM 1352 C LEU B 19 22.864 1.217 -7.565 1.00 0.00 C ATOM 1353 O LEU B 19 22.893 2.428 -7.479 1.00 0.00 O ATOM 1354 CB LEU B 19 20.739 -0.039 -6.974 1.00 0.00 C ATOM 1355 CG LEU B 19 19.966 1.150 -7.562 1.00 0.00 C ATOM 1356 CD1 LEU B 19 18.839 0.623 -8.455 1.00 0.00 C ATOM 1357 CD2 LEU B 19 19.365 1.982 -6.429 1.00 0.00 C ATOM 0 H LEU B 19 21.043 1.318 -4.919 1.00 0.00 H new ATOM 0 HA LEU B 19 22.729 -0.510 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU B 19 20.834 -0.821 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU B 19 20.178 -0.464 -6.142 1.00 0.00 H new ATOM 0 HG LEU B 19 20.643 1.772 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU B 19 18.286 1.462 -8.876 1.00 0.00 H new ATOM 0 HD12 LEU B 19 19.263 0.026 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU B 19 18.165 0.004 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU B 19 18.817 2.826 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU B 19 18.686 1.363 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU B 19 20.164 2.352 -5.786 1.00 0.00 H new ATOM 1369 N PRO B 20 23.432 0.548 -8.551 1.00 0.00 N ATOM 1370 CA PRO B 20 24.154 1.238 -9.636 1.00 0.00 C ATOM 1371 C PRO B 20 23.229 2.232 -10.342 1.00 0.00 C ATOM 1372 O PRO B 20 22.239 1.860 -10.938 1.00 0.00 O ATOM 1373 CB PRO B 20 24.582 0.119 -10.597 1.00 0.00 C ATOM 1374 CG PRO B 20 24.144 -1.232 -9.977 1.00 0.00 C ATOM 1375 CD PRO B 20 23.403 -0.927 -8.667 1.00 0.00 C ATOM 0 HA PRO B 20 25.006 1.810 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO B 20 24.121 0.258 -11.575 1.00 0.00 H new ATOM 0 HB3 PRO B 20 25.661 0.138 -10.748 1.00 0.00 H new ATOM 0 HG2 PRO B 20 23.497 -1.776 -10.665 1.00 0.00 H new ATOM 0 HG3 PRO B 20 25.011 -1.865 -9.787 1.00 0.00 H new ATOM 0 HD2 PRO B 20 22.380 -1.302 -8.695 1.00 0.00 H new ATOM 0 HD3 PRO B 20 23.893 -1.400 -7.816 1.00 0.00 H new ATOM 1383 N ARG B 21 23.545 3.498 -10.270 1.00 0.00 N ATOM 1384 CA ARG B 21 22.687 4.527 -10.926 1.00 0.00 C ATOM 1385 C ARG B 21 22.701 4.335 -12.444 1.00 0.00 C ATOM 1386 O ARG B 21 21.727 4.599 -13.120 1.00 0.00 O ATOM 1387 CB ARG B 21 23.227 5.920 -10.593 1.00 0.00 C ATOM 1388 CG ARG B 21 22.194 6.979 -10.984 1.00 0.00 C ATOM 1389 CD ARG B 21 22.203 8.104 -9.947 1.00 0.00 C ATOM 1390 NE ARG B 21 22.687 9.363 -10.581 1.00 0.00 N ATOM 1391 CZ ARG B 21 23.933 9.469 -10.957 1.00 0.00 C ATOM 1392 NH1 ARG B 21 24.862 8.798 -10.334 1.00 0.00 N ATOM 1393 NH2 ARG B 21 24.249 10.250 -11.954 1.00 0.00 N ATOM 0 H ARG B 21 24.363 3.864 -9.783 1.00 0.00 H new ATOM 0 HA ARG B 21 21.665 4.424 -10.561 1.00 0.00 H new ATOM 0 HB2 ARG B 21 23.449 5.990 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG B 21 24.162 6.095 -11.126 1.00 0.00 H new ATOM 0 HG2 ARG B 21 22.422 7.378 -11.972 1.00 0.00 H new ATOM 0 HG3 ARG B 21 21.202 6.531 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG B 21 21.201 8.249 -9.544 1.00 0.00 H new ATOM 0 HD3 ARG B 21 22.847 7.835 -9.110 1.00 0.00 H new ATOM 0 HE ARG B 21 22.044 10.143 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG B 21 24.615 8.190 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG B 21 25.835 8.881 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG B 21 23.523 10.777 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG B 21 25.222 10.333 -12.248 1.00 0.00 H new ATOM 1407 N ALA B 22 23.798 3.888 -12.987 1.00 0.00 N ATOM 1408 CA ALA B 22 23.868 3.692 -14.462 1.00 0.00 C ATOM 1409 C ALA B 22 22.860 2.625 -14.895 1.00 0.00 C ATOM 1410 O ALA B 22 22.478 2.552 -16.046 1.00 0.00 O ATOM 1411 CB ALA B 22 25.279 3.247 -14.851 1.00 0.00 C ATOM 0 H ALA B 22 24.648 3.650 -12.475 1.00 0.00 H new ATOM 0 HA ALA B 22 23.630 4.632 -14.959 1.00 0.00 H new ATOM 0 HB1 ALA B 22 25.331 3.103 -15.930 1.00 0.00 H new ATOM 0 HB2 ALA B 22 25.997 4.011 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA B 22 25.516 2.309 -14.349 1.00 0.00 H new ATOM 1417 N HIS B 23 22.427 1.796 -13.987 1.00 0.00 N ATOM 1418 CA HIS B 23 21.448 0.737 -14.356 1.00 0.00 C ATOM 1419 C HIS B 23 20.024 1.220 -14.078 1.00 0.00 C ATOM 1420 O HIS B 23 19.068 0.647 -14.562 1.00 0.00 O ATOM 1421 CB HIS B 23 21.723 -0.522 -13.530 1.00 0.00 C ATOM 1422 CG HIS B 23 23.184 -0.871 -13.609 1.00 0.00 C ATOM 1423 ND1 HIS B 23 23.723 -1.953 -12.925 1.00 0.00 N ATOM 1424 CD2 HIS B 23 24.230 -0.298 -14.290 1.00 0.00 C ATOM 1425 CE1 HIS B 23 25.031 -2.003 -13.205 1.00 0.00 C ATOM 1426 NE2 HIS B 23 25.393 -1.012 -14.035 1.00 0.00 N ATOM 0 H HIS B 23 22.708 1.806 -13.007 1.00 0.00 H new ATOM 0 HA HIS B 23 21.551 0.513 -15.418 1.00 0.00 H new ATOM 0 HB2 HIS B 23 21.434 -0.358 -12.492 1.00 0.00 H new ATOM 0 HB3 HIS B 23 21.121 -1.351 -13.901 1.00 0.00 H new ATOM 0 HD2 HIS B 23 24.159 0.573 -14.925 1.00 0.00 H new ATOM 0 HE1 HIS B 23 25.709 -2.746 -12.813 1.00 0.00 H new ATOM 0 HE2 HIS B 23 26.326 -0.823 -14.401 1.00 0.00 H new ATOM 1434 N ILE B 24 19.863 2.262 -13.304 1.00 0.00 N ATOM 1435 CA ILE B 24 18.481 2.746 -13.016 1.00 0.00 C ATOM 1436 C ILE B 24 17.991 3.628 -14.166 1.00 0.00 C ATOM 1437 O ILE B 24 18.746 4.015 -15.036 1.00 0.00 O ATOM 1438 CB ILE B 24 18.440 3.569 -11.725 1.00 0.00 C ATOM 1439 CG1 ILE B 24 19.381 2.972 -10.673 1.00 0.00 C ATOM 1440 CG2 ILE B 24 17.007 3.578 -11.182 1.00 0.00 C ATOM 1441 CD1 ILE B 24 19.274 3.783 -9.378 1.00 0.00 C ATOM 0 H ILE B 24 20.616 2.791 -12.865 1.00 0.00 H new ATOM 0 HA ILE B 24 17.840 1.872 -12.903 1.00 0.00 H new ATOM 0 HB ILE B 24 18.765 4.586 -11.944 1.00 0.00 H new ATOM 0 HG12 ILE B 24 19.121 1.930 -10.485 1.00 0.00 H new ATOM 0 HG13 ILE B 24 20.408 2.983 -11.039 1.00 0.00 H new ATOM 0 HG21 ILE B 24 16.970 4.162 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.341 4.022 -11.921 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.690 2.556 -10.975 1.00 0.00 H new ATOM 0 HD11 ILE B 24 19.942 3.360 -8.628 1.00 0.00 H new ATOM 0 HD12 ILE B 24 19.555 4.818 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE B 24 18.248 3.748 -9.011 1.00 0.00 H new ATOM 1453 N LYS B 25 16.727 3.947 -14.168 1.00 0.00 N ATOM 1454 CA LYS B 25 16.163 4.807 -15.247 1.00 0.00 C ATOM 1455 C LYS B 25 15.459 6.019 -14.631 1.00 0.00 C ATOM 1456 O LYS B 25 15.409 7.084 -15.213 1.00 0.00 O ATOM 1457 CB LYS B 25 15.132 4.001 -16.041 1.00 0.00 C ATOM 1458 CG LYS B 25 15.527 3.948 -17.516 1.00 0.00 C ATOM 1459 CD LYS B 25 14.321 3.488 -18.340 1.00 0.00 C ATOM 1460 CE LYS B 25 14.794 2.949 -19.691 1.00 0.00 C ATOM 1461 NZ LYS B 25 13.750 3.207 -20.724 1.00 0.00 N ATOM 0 H LYS B 25 16.054 3.646 -13.463 1.00 0.00 H new ATOM 0 HA LYS B 25 16.971 5.141 -15.897 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.062 2.990 -15.639 1.00 0.00 H new ATOM 0 HB3 LYS B 25 14.146 4.455 -15.937 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.860 4.930 -17.852 1.00 0.00 H new ATOM 0 HG3 LYS B 25 16.363 3.263 -17.657 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.774 2.715 -17.801 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.633 4.320 -18.490 1.00 0.00 H new ATOM 0 HE2 LYS B 25 15.730 3.428 -19.978 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.992 1.880 -19.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.072 2.840 -21.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 12.867 2.730 -20.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 13.582 4.231 -20.800 1.00 0.00 H new ATOM 1475 N GLU B 26 14.880 5.851 -13.474 1.00 0.00 N ATOM 1476 CA GLU B 26 14.139 6.965 -12.830 1.00 0.00 C ATOM 1477 C GLU B 26 13.890 6.592 -11.362 1.00 0.00 C ATOM 1478 O GLU B 26 14.575 5.752 -10.811 1.00 0.00 O ATOM 1479 CB GLU B 26 12.787 7.185 -13.557 1.00 0.00 C ATOM 1480 CG GLU B 26 12.364 5.968 -14.398 1.00 0.00 C ATOM 1481 CD GLU B 26 12.557 6.272 -15.888 1.00 0.00 C ATOM 1482 OE1 GLU B 26 13.193 7.266 -16.195 1.00 0.00 O ATOM 1483 OE2 GLU B 26 12.072 5.497 -16.695 1.00 0.00 O ATOM 0 H GLU B 26 14.890 4.979 -12.944 1.00 0.00 H new ATOM 0 HA GLU B 26 14.718 7.887 -12.888 1.00 0.00 H new ATOM 0 HB2 GLU B 26 12.013 7.400 -12.820 1.00 0.00 H new ATOM 0 HB3 GLU B 26 12.864 8.060 -14.203 1.00 0.00 H new ATOM 0 HG2 GLU B 26 12.955 5.097 -14.116 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.321 5.723 -14.200 1.00 0.00 H new ATOM 1490 N TYR B 27 12.909 7.176 -10.725 1.00 0.00 N ATOM 1491 CA TYR B 27 12.624 6.817 -9.319 1.00 0.00 C ATOM 1492 C TYR B 27 11.168 7.148 -9.032 1.00 0.00 C ATOM 1493 O TYR B 27 10.462 7.639 -9.893 1.00 0.00 O ATOM 1494 CB TYR B 27 13.531 7.618 -8.385 1.00 0.00 C ATOM 1495 CG TYR B 27 13.313 9.091 -8.633 1.00 0.00 C ATOM 1496 CD1 TYR B 27 12.263 9.770 -7.974 1.00 0.00 C ATOM 1497 CD2 TYR B 27 14.131 9.781 -9.555 1.00 0.00 C ATOM 1498 CE1 TYR B 27 12.037 11.140 -8.231 1.00 0.00 C ATOM 1499 CE2 TYR B 27 13.900 11.150 -9.817 1.00 0.00 C ATOM 1500 CZ TYR B 27 12.853 11.830 -9.155 1.00 0.00 C ATOM 1501 OH TYR B 27 12.627 13.167 -9.412 1.00 0.00 O ATOM 0 H TYR B 27 12.296 7.886 -11.125 1.00 0.00 H new ATOM 0 HA TYR B 27 12.809 5.755 -9.156 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.310 7.374 -7.346 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.575 7.357 -8.559 1.00 0.00 H new ATOM 0 HD1 TYR B 27 11.633 9.241 -7.274 1.00 0.00 H new ATOM 0 HD2 TYR B 27 14.933 9.262 -10.059 1.00 0.00 H new ATOM 0 HE1 TYR B 27 11.240 11.661 -7.721 1.00 0.00 H new ATOM 0 HE2 TYR B 27 14.524 11.677 -10.524 1.00 0.00 H new ATOM 0 HH TYR B 27 13.278 13.488 -10.071 1.00 0.00 H new ATOM 1511 N PHE B 28 10.697 6.886 -7.846 1.00 0.00 N ATOM 1512 CA PHE B 28 9.279 7.198 -7.560 1.00 0.00 C ATOM 1513 C PHE B 28 9.064 7.319 -6.046 1.00 0.00 C ATOM 1514 O PHE B 28 8.595 6.400 -5.405 1.00 0.00 O ATOM 1515 CB PHE B 28 8.394 6.080 -8.136 1.00 0.00 C ATOM 1516 CG PHE B 28 6.973 6.218 -7.635 1.00 0.00 C ATOM 1517 CD1 PHE B 28 6.177 7.310 -8.049 1.00 0.00 C ATOM 1518 CD2 PHE B 28 6.455 5.271 -6.725 1.00 0.00 C ATOM 1519 CE1 PHE B 28 4.862 7.452 -7.551 1.00 0.00 C ATOM 1520 CE2 PHE B 28 5.141 5.411 -6.230 1.00 0.00 C ATOM 1521 CZ PHE B 28 4.345 6.503 -6.641 1.00 0.00 C ATOM 0 H PHE B 28 11.226 6.476 -7.076 1.00 0.00 H new ATOM 0 HA PHE B 28 9.011 8.147 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE B 28 8.408 6.122 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.794 5.107 -7.850 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.573 8.035 -8.745 1.00 0.00 H new ATOM 0 HD2 PHE B 28 7.065 4.438 -6.407 1.00 0.00 H new ATOM 0 HE1 PHE B 28 4.252 8.286 -7.866 1.00 0.00 H new ATOM 0 HE2 PHE B 28 4.744 4.684 -5.537 1.00 0.00 H new ATOM 0 HZ PHE B 28 3.341 6.613 -6.259 1.00 0.00 H new ATOM 1531 N TYR B 29 9.382 8.447 -5.471 1.00 0.00 N ATOM 1532 CA TYR B 29 9.175 8.610 -4.005 1.00 0.00 C ATOM 1533 C TYR B 29 7.717 8.304 -3.664 1.00 0.00 C ATOM 1534 O TYR B 29 6.800 8.783 -4.301 1.00 0.00 O ATOM 1535 CB TYR B 29 9.508 10.045 -3.595 1.00 0.00 C ATOM 1536 CG TYR B 29 9.195 10.253 -2.131 1.00 0.00 C ATOM 1537 CD1 TYR B 29 10.072 9.758 -1.141 1.00 0.00 C ATOM 1538 CD2 TYR B 29 8.020 10.940 -1.754 1.00 0.00 C ATOM 1539 CE1 TYR B 29 9.775 9.950 0.226 1.00 0.00 C ATOM 1540 CE2 TYR B 29 7.723 11.134 -0.387 1.00 0.00 C ATOM 1541 CZ TYR B 29 8.600 10.638 0.604 1.00 0.00 C ATOM 1542 OH TYR B 29 8.310 10.827 1.940 1.00 0.00 O ATOM 0 H TYR B 29 9.774 9.258 -5.950 1.00 0.00 H new ATOM 0 HA TYR B 29 9.828 7.923 -3.466 1.00 0.00 H new ATOM 0 HB2 TYR B 29 10.562 10.250 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR B 29 8.935 10.747 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR B 29 10.970 9.232 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR B 29 7.349 11.317 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR B 29 10.446 9.571 0.983 1.00 0.00 H new ATOM 0 HE2 TYR B 29 6.826 11.661 -0.099 1.00 0.00 H new ATOM 0 HH TYR B 29 7.467 11.319 2.025 1.00 0.00 H new ATOM 1552 N THR B 30 7.508 7.510 -2.662 1.00 0.00 N ATOM 1553 CA THR B 30 6.116 7.161 -2.261 1.00 0.00 C ATOM 1554 C THR B 30 5.537 8.291 -1.407 1.00 0.00 C ATOM 1555 O THR B 30 6.128 8.711 -0.433 1.00 0.00 O ATOM 1556 CB THR B 30 6.125 5.864 -1.450 1.00 0.00 C ATOM 1557 OG1 THR B 30 6.971 4.915 -2.083 1.00 0.00 O ATOM 1558 CG2 THR B 30 4.703 5.305 -1.367 1.00 0.00 C ATOM 0 H THR B 30 8.242 7.082 -2.097 1.00 0.00 H new ATOM 0 HA THR B 30 5.504 7.025 -3.153 1.00 0.00 H new ATOM 0 HB THR B 30 6.495 6.066 -0.445 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.978 4.085 -1.563 1.00 0.00 H new ATOM 0 HG21 THR B 30 4.709 4.381 -0.789 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.054 6.033 -0.881 1.00 0.00 H new ATOM 0 HG23 THR B 30 4.332 5.102 -2.372 1.00 0.00 H new ATOM 1566 N SER B 31 4.384 8.786 -1.765 1.00 0.00 N ATOM 1567 CA SER B 31 3.769 9.888 -0.972 1.00 0.00 C ATOM 1568 C SER B 31 3.601 9.438 0.479 1.00 0.00 C ATOM 1569 O SER B 31 4.316 9.873 1.361 1.00 0.00 O ATOM 1570 CB SER B 31 2.401 10.240 -1.561 1.00 0.00 C ATOM 1571 OG SER B 31 2.576 11.057 -2.709 1.00 0.00 O ATOM 0 H SER B 31 3.842 8.476 -2.571 1.00 0.00 H new ATOM 0 HA SER B 31 4.414 10.766 -1.007 1.00 0.00 H new ATOM 0 HB2 SER B 31 1.863 9.330 -1.827 1.00 0.00 H new ATOM 0 HB3 SER B 31 1.797 10.762 -0.819 1.00 0.00 H new ATOM 0 HG SER B 31 1.700 11.281 -3.088 1.00 0.00 H new ATOM 1577 N GLY B 32 2.663 8.568 0.736 1.00 0.00 N ATOM 1578 CA GLY B 32 2.453 8.092 2.131 1.00 0.00 C ATOM 1579 C GLY B 32 1.055 7.486 2.264 1.00 0.00 C ATOM 1580 O GLY B 32 0.222 7.979 3.001 1.00 0.00 O ATOM 0 H GLY B 32 2.034 8.167 0.040 1.00 0.00 H new ATOM 0 HA2 GLY B 32 3.208 7.349 2.390 1.00 0.00 H new ATOM 0 HA3 GLY B 32 2.569 8.921 2.830 1.00 0.00 H new ATOM 1584 N LYS B 33 0.790 6.420 1.561 1.00 0.00 N ATOM 1585 CA LYS B 33 -0.554 5.782 1.652 1.00 0.00 C ATOM 1586 C LYS B 33 -0.458 4.523 2.512 1.00 0.00 C ATOM 1587 O LYS B 33 -1.174 4.362 3.480 1.00 0.00 O ATOM 1588 CB LYS B 33 -1.039 5.408 0.251 1.00 0.00 C ATOM 1589 CG LYS B 33 -1.298 6.680 -0.559 1.00 0.00 C ATOM 1590 CD LYS B 33 -2.724 6.652 -1.115 1.00 0.00 C ATOM 1591 CE LYS B 33 -2.822 7.590 -2.320 1.00 0.00 C ATOM 1592 NZ LYS B 33 -4.217 7.583 -2.845 1.00 0.00 N ATOM 0 H LYS B 33 1.446 5.963 0.927 1.00 0.00 H new ATOM 0 HA LYS B 33 -1.259 6.480 2.103 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -0.293 4.791 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.951 4.815 0.317 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -1.159 7.559 0.071 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -0.580 6.756 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.991 5.637 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -3.432 6.958 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -2.536 8.601 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -2.128 7.273 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.283 8.221 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -4.474 6.618 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.869 7.905 -2.102 1.00 0.00 H new ATOM 1606 N CYS B 34 0.425 3.626 2.168 1.00 0.00 N ATOM 1607 CA CYS B 34 0.569 2.376 2.967 1.00 0.00 C ATOM 1608 C CYS B 34 1.473 2.652 4.168 1.00 0.00 C ATOM 1609 O CYS B 34 1.661 3.783 4.569 1.00 0.00 O ATOM 1610 CB CYS B 34 1.205 1.268 2.114 1.00 0.00 C ATOM 1611 SG CYS B 34 0.549 1.302 0.424 1.00 0.00 S ATOM 0 H CYS B 34 1.053 3.705 1.368 1.00 0.00 H new ATOM 0 HA CYS B 34 -0.418 2.053 3.299 1.00 0.00 H new ATOM 0 HB2 CYS B 34 2.287 1.396 2.092 1.00 0.00 H new ATOM 0 HB3 CYS B 34 1.008 0.296 2.566 1.00 0.00 H new ATOM 1616 N SER B 35 2.043 1.627 4.739 1.00 0.00 N ATOM 1617 CA SER B 35 2.944 1.828 5.908 1.00 0.00 C ATOM 1618 C SER B 35 4.382 1.504 5.495 1.00 0.00 C ATOM 1619 O SER B 35 5.198 1.104 6.301 1.00 0.00 O ATOM 1620 CB SER B 35 2.519 0.904 7.050 1.00 0.00 C ATOM 1621 OG SER B 35 2.682 1.578 8.291 1.00 0.00 O ATOM 0 H SER B 35 1.923 0.657 4.446 1.00 0.00 H new ATOM 0 HA SER B 35 2.882 2.863 6.243 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.479 0.604 6.921 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.118 -0.007 7.037 1.00 0.00 H new ATOM 0 HG SER B 35 2.408 0.987 9.023 1.00 0.00 H new ATOM 1627 N ASN B 36 4.696 1.673 4.238 1.00 0.00 N ATOM 1628 CA ASN B 36 6.076 1.375 3.762 1.00 0.00 C ATOM 1629 C ASN B 36 6.611 2.567 2.958 1.00 0.00 C ATOM 1630 O ASN B 36 7.002 2.406 1.819 1.00 0.00 O ATOM 1631 CB ASN B 36 6.047 0.132 2.870 1.00 0.00 C ATOM 1632 CG ASN B 36 5.904 -1.117 3.743 1.00 0.00 C ATOM 1633 OD1 ASN B 36 4.809 -1.502 4.097 1.00 0.00 O ATOM 1634 ND2 ASN B 36 6.974 -1.768 4.108 1.00 0.00 N ATOM 0 H ASN B 36 4.053 2.006 3.519 1.00 0.00 H new ATOM 0 HA ASN B 36 6.725 1.196 4.619 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.216 0.195 2.167 1.00 0.00 H new ATOM 0 HB3 ASN B 36 6.961 0.073 2.279 1.00 0.00 H new ATOM 0 HD21 ASN B 36 6.890 -2.601 4.691 1.00 0.00 H new ATOM 0 HD22 ASN B 36 7.894 -1.444 3.810 1.00 0.00 H new ATOM 1641 N PRO B 37 6.628 3.736 3.569 1.00 0.00 N ATOM 1642 CA PRO B 37 7.134 4.943 2.898 1.00 0.00 C ATOM 1643 C PRO B 37 8.562 4.688 2.425 1.00 0.00 C ATOM 1644 O PRO B 37 9.391 4.198 3.167 1.00 0.00 O ATOM 1645 CB PRO B 37 7.098 6.039 3.974 1.00 0.00 C ATOM 1646 CG PRO B 37 6.483 5.421 5.255 1.00 0.00 C ATOM 1647 CD PRO B 37 6.160 3.948 4.957 1.00 0.00 C ATOM 0 HA PRO B 37 6.547 5.226 2.024 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.102 6.412 4.174 1.00 0.00 H new ATOM 0 HB3 PRO B 37 6.504 6.888 3.636 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.180 5.498 6.089 1.00 0.00 H new ATOM 0 HG3 PRO B 37 5.580 5.959 5.544 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.670 3.282 5.653 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.092 3.750 5.050 1.00 0.00 H new ATOM 1655 N ALA B 38 8.858 4.989 1.194 1.00 0.00 N ATOM 1656 CA ALA B 38 10.231 4.731 0.686 1.00 0.00 C ATOM 1657 C ALA B 38 10.441 5.481 -0.629 1.00 0.00 C ATOM 1658 O ALA B 38 9.926 6.563 -0.826 1.00 0.00 O ATOM 1659 CB ALA B 38 10.393 3.220 0.479 1.00 0.00 C ATOM 0 H ALA B 38 8.212 5.401 0.520 1.00 0.00 H new ATOM 0 HA ALA B 38 10.975 5.082 1.401 1.00 0.00 H new ATOM 0 HB1 ALA B 38 11.395 3.009 0.106 1.00 0.00 H new ATOM 0 HB2 ALA B 38 10.243 2.705 1.428 1.00 0.00 H new ATOM 0 HB3 ALA B 38 9.656 2.871 -0.244 1.00 0.00 H new ATOM 1665 N VAL B 39 11.188 4.917 -1.531 1.00 0.00 N ATOM 1666 CA VAL B 39 11.430 5.574 -2.822 1.00 0.00 C ATOM 1667 C VAL B 39 11.533 4.434 -3.809 1.00 0.00 C ATOM 1668 O VAL B 39 12.056 3.384 -3.485 1.00 0.00 O ATOM 1669 CB VAL B 39 12.703 6.436 -2.716 1.00 0.00 C ATOM 1670 CG1 VAL B 39 13.937 5.734 -3.293 1.00 0.00 C ATOM 1671 CG2 VAL B 39 12.479 7.766 -3.429 1.00 0.00 C ATOM 0 H VAL B 39 11.645 4.012 -1.418 1.00 0.00 H new ATOM 0 HA VAL B 39 10.647 6.263 -3.138 1.00 0.00 H new ATOM 0 HB VAL B 39 12.898 6.605 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL B 39 14.806 6.385 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL B 39 14.115 4.806 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL B 39 13.770 5.512 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL B 39 13.380 8.375 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL B 39 12.252 7.582 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.645 8.292 -2.964 1.00 0.00 H new ATOM 1681 N VAL B 40 10.979 4.581 -4.963 1.00 0.00 N ATOM 1682 CA VAL B 40 10.994 3.429 -5.895 1.00 0.00 C ATOM 1683 C VAL B 40 11.799 3.703 -7.153 1.00 0.00 C ATOM 1684 O VAL B 40 11.456 4.525 -7.972 1.00 0.00 O ATOM 1685 CB VAL B 40 9.541 3.068 -6.217 1.00 0.00 C ATOM 1686 CG1 VAL B 40 9.424 2.349 -7.556 1.00 0.00 C ATOM 1687 CG2 VAL B 40 9.040 2.130 -5.125 1.00 0.00 C ATOM 0 H VAL B 40 10.523 5.428 -5.303 1.00 0.00 H new ATOM 0 HA VAL B 40 11.494 2.587 -5.417 1.00 0.00 H new ATOM 0 HB VAL B 40 8.955 3.986 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL B 40 8.379 2.109 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL B 40 9.802 2.994 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL B 40 10.008 1.429 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL B 40 8.005 1.855 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL B 40 9.657 1.232 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL B 40 9.099 2.632 -4.159 1.00 0.00 H new ATOM 1697 N PHE B 41 12.845 2.962 -7.332 1.00 0.00 N ATOM 1698 CA PHE B 41 13.655 3.125 -8.546 1.00 0.00 C ATOM 1699 C PHE B 41 13.011 2.356 -9.679 1.00 0.00 C ATOM 1700 O PHE B 41 12.500 1.271 -9.515 1.00 0.00 O ATOM 1701 CB PHE B 41 15.069 2.591 -8.309 1.00 0.00 C ATOM 1702 CG PHE B 41 15.901 3.625 -7.591 1.00 0.00 C ATOM 1703 CD1 PHE B 41 16.336 4.783 -8.272 1.00 0.00 C ATOM 1704 CD2 PHE B 41 16.294 3.403 -6.253 1.00 0.00 C ATOM 1705 CE1 PHE B 41 17.168 5.718 -7.616 1.00 0.00 C ATOM 1706 CE2 PHE B 41 17.119 4.341 -5.594 1.00 0.00 C ATOM 1707 CZ PHE B 41 17.560 5.496 -6.277 1.00 0.00 C ATOM 0 H PHE B 41 13.172 2.247 -6.682 1.00 0.00 H new ATOM 0 HA PHE B 41 13.713 4.183 -8.801 1.00 0.00 H new ATOM 0 HB2 PHE B 41 15.026 1.675 -7.720 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.534 2.336 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE B 41 16.033 4.954 -9.294 1.00 0.00 H new ATOM 0 HD2 PHE B 41 15.964 2.516 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE B 41 17.504 6.602 -8.138 1.00 0.00 H new ATOM 0 HE2 PHE B 41 17.413 4.175 -4.568 1.00 0.00 H new ATOM 0 HZ PHE B 41 18.197 6.210 -5.776 1.00 0.00 H new ATOM 1717 N VAL B 42 13.055 2.927 -10.828 1.00 0.00 N ATOM 1718 CA VAL B 42 12.488 2.281 -12.034 1.00 0.00 C ATOM 1719 C VAL B 42 13.693 2.088 -12.972 1.00 0.00 C ATOM 1720 O VAL B 42 14.043 2.966 -13.733 1.00 0.00 O ATOM 1721 CB VAL B 42 11.424 3.185 -12.675 1.00 0.00 C ATOM 1722 CG1 VAL B 42 10.055 2.550 -12.467 1.00 0.00 C ATOM 1723 CG2 VAL B 42 11.407 4.573 -12.033 1.00 0.00 C ATOM 0 H VAL B 42 13.472 3.843 -10.995 1.00 0.00 H new ATOM 0 HA VAL B 42 11.991 1.337 -11.811 1.00 0.00 H new ATOM 0 HB VAL B 42 11.660 3.291 -13.734 1.00 0.00 H new ATOM 0 HG11 VAL B 42 9.289 3.181 -12.917 1.00 0.00 H new ATOM 0 HG12 VAL B 42 10.035 1.566 -12.935 1.00 0.00 H new ATOM 0 HG13 VAL B 42 9.860 2.448 -11.400 1.00 0.00 H new ATOM 0 HG21 VAL B 42 10.643 5.186 -12.511 1.00 0.00 H new ATOM 0 HG22 VAL B 42 11.185 4.480 -10.970 1.00 0.00 H new ATOM 0 HG23 VAL B 42 12.382 5.044 -12.160 1.00 0.00 H new ATOM 1733 N THR B 43 14.383 0.983 -12.847 1.00 0.00 N ATOM 1734 CA THR B 43 15.638 0.770 -13.650 1.00 0.00 C ATOM 1735 C THR B 43 15.373 0.292 -15.074 1.00 0.00 C ATOM 1736 O THR B 43 14.298 0.455 -15.616 1.00 0.00 O ATOM 1737 CB THR B 43 16.518 -0.257 -12.927 1.00 0.00 C ATOM 1738 OG1 THR B 43 15.960 -1.553 -13.084 1.00 0.00 O ATOM 1739 CG2 THR B 43 16.603 0.087 -11.437 1.00 0.00 C ATOM 0 H THR B 43 14.136 0.214 -12.224 1.00 0.00 H new ATOM 0 HA THR B 43 16.136 1.736 -13.732 1.00 0.00 H new ATOM 0 HB THR B 43 17.520 -0.237 -13.357 1.00 0.00 H new ATOM 0 HG1 THR B 43 16.523 -2.210 -12.623 1.00 0.00 H new ATOM 0 HG21 THR B 43 17.230 -0.646 -10.929 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.037 1.080 -11.317 1.00 0.00 H new ATOM 0 HG23 THR B 43 15.603 0.073 -11.003 1.00 0.00 H new ATOM 1747 N ARG B 44 16.385 -0.276 -15.696 1.00 0.00 N ATOM 1748 CA ARG B 44 16.249 -0.760 -17.100 1.00 0.00 C ATOM 1749 C ARG B 44 14.975 -1.592 -17.223 1.00 0.00 C ATOM 1750 O ARG B 44 14.034 -1.194 -17.882 1.00 0.00 O ATOM 1751 CB ARG B 44 17.474 -1.597 -17.509 1.00 0.00 C ATOM 1752 CG ARG B 44 18.027 -2.384 -16.312 1.00 0.00 C ATOM 1753 CD ARG B 44 18.195 -3.855 -16.700 1.00 0.00 C ATOM 1754 NE ARG B 44 19.006 -4.550 -15.661 1.00 0.00 N ATOM 1755 CZ ARG B 44 19.463 -5.752 -15.885 1.00 0.00 C ATOM 1756 NH1 ARG B 44 18.691 -6.654 -16.425 1.00 0.00 N ATOM 1757 NH2 ARG B 44 20.690 -6.053 -15.562 1.00 0.00 N ATOM 0 H ARG B 44 17.305 -0.423 -15.281 1.00 0.00 H new ATOM 0 HA ARG B 44 16.190 0.099 -17.769 1.00 0.00 H new ATOM 0 HB2 ARG B 44 17.198 -2.287 -18.306 1.00 0.00 H new ATOM 0 HB3 ARG B 44 18.249 -0.943 -17.908 1.00 0.00 H new ATOM 0 HG2 ARG B 44 18.985 -1.967 -16.001 1.00 0.00 H new ATOM 0 HG3 ARG B 44 17.350 -2.296 -15.462 1.00 0.00 H new ATOM 0 HD2 ARG B 44 17.219 -4.332 -16.795 1.00 0.00 H new ATOM 0 HD3 ARG B 44 18.684 -3.933 -17.671 1.00 0.00 H new ATOM 0 HE ARG B 44 19.204 -4.086 -14.774 1.00 0.00 H new ATOM 0 HH11 ARG B 44 17.729 -6.420 -16.673 1.00 0.00 H new ATOM 0 HH12 ARG B 44 19.049 -7.593 -16.600 1.00 0.00 H new ATOM 0 HH21 ARG B 44 21.292 -5.349 -15.135 1.00 0.00 H new ATOM 0 HH22 ARG B 44 21.048 -6.992 -15.737 1.00 0.00 H new ATOM 1771 N LYS B 45 14.896 -2.711 -16.545 1.00 0.00 N ATOM 1772 CA LYS B 45 13.627 -3.501 -16.591 1.00 0.00 C ATOM 1773 C LYS B 45 12.514 -2.546 -16.147 1.00 0.00 C ATOM 1774 O LYS B 45 11.378 -2.631 -16.569 1.00 0.00 O ATOM 1775 CB LYS B 45 13.711 -4.694 -15.636 1.00 0.00 C ATOM 1776 CG LYS B 45 13.024 -5.905 -16.274 1.00 0.00 C ATOM 1777 CD LYS B 45 12.056 -6.531 -15.268 1.00 0.00 C ATOM 1778 CE LYS B 45 11.649 -7.926 -15.750 1.00 0.00 C ATOM 1779 NZ LYS B 45 11.224 -7.854 -17.176 1.00 0.00 N ATOM 0 H LYS B 45 15.641 -3.106 -15.971 1.00 0.00 H new ATOM 0 HA LYS B 45 13.440 -3.894 -17.590 1.00 0.00 H new ATOM 0 HB2 LYS B 45 14.753 -4.926 -15.418 1.00 0.00 H new ATOM 0 HB3 LYS B 45 13.233 -4.449 -14.687 1.00 0.00 H new ATOM 0 HG2 LYS B 45 12.486 -5.600 -17.171 1.00 0.00 H new ATOM 0 HG3 LYS B 45 13.769 -6.638 -16.583 1.00 0.00 H new ATOM 0 HD2 LYS B 45 12.527 -6.597 -14.287 1.00 0.00 H new ATOM 0 HD3 LYS B 45 11.173 -5.901 -15.157 1.00 0.00 H new ATOM 0 HE2 LYS B 45 12.485 -8.618 -15.643 1.00 0.00 H new ATOM 0 HE3 LYS B 45 10.835 -8.312 -15.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.657 -8.693 -17.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 10.654 -6.997 -17.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 12.065 -7.821 -17.788 1.00 0.00 H new ATOM 1793 N ASN B 46 12.889 -1.603 -15.319 1.00 0.00 N ATOM 1794 CA ASN B 46 11.958 -0.562 -14.834 1.00 0.00 C ATOM 1795 C ASN B 46 10.971 -1.124 -13.855 1.00 0.00 C ATOM 1796 O ASN B 46 9.970 -0.503 -13.553 1.00 0.00 O ATOM 1797 CB ASN B 46 11.219 0.064 -16.015 1.00 0.00 C ATOM 1798 CG ASN B 46 11.656 1.519 -16.200 1.00 0.00 C ATOM 1799 OD1 ASN B 46 12.369 2.064 -15.381 1.00 0.00 O ATOM 1800 ND2 ASN B 46 11.256 2.177 -17.254 1.00 0.00 N ATOM 0 H ASN B 46 13.837 -1.518 -14.952 1.00 0.00 H new ATOM 0 HA ASN B 46 12.543 0.202 -14.322 1.00 0.00 H new ATOM 0 HB2 ASN B 46 11.423 -0.503 -16.923 1.00 0.00 H new ATOM 0 HB3 ASN B 46 10.143 0.018 -15.846 1.00 0.00 H new ATOM 0 HD21 ASN B 46 11.542 3.147 -17.389 1.00 0.00 H new ATOM 0 HD22 ASN B 46 10.657 1.721 -17.943 1.00 0.00 H new ATOM 1807 N ARG B 47 11.270 -2.245 -13.272 1.00 0.00 N ATOM 1808 CA ARG B 47 10.366 -2.754 -12.216 1.00 0.00 C ATOM 1809 C ARG B 47 10.348 -1.644 -11.177 1.00 0.00 C ATOM 1810 O ARG B 47 11.180 -0.758 -11.245 1.00 0.00 O ATOM 1811 CB ARG B 47 10.934 -4.039 -11.618 1.00 0.00 C ATOM 1812 CG ARG B 47 10.775 -5.185 -12.620 1.00 0.00 C ATOM 1813 CD ARG B 47 9.411 -5.853 -12.433 1.00 0.00 C ATOM 1814 NE ARG B 47 8.402 -5.173 -13.294 1.00 0.00 N ATOM 1815 CZ ARG B 47 7.170 -5.603 -13.318 1.00 0.00 C ATOM 1816 NH1 ARG B 47 6.846 -6.616 -14.075 1.00 0.00 N ATOM 1817 NH2 ARG B 47 6.261 -5.022 -12.583 1.00 0.00 N ATOM 0 H ARG B 47 12.086 -2.821 -13.476 1.00 0.00 H new ATOM 0 HA ARG B 47 9.369 -2.992 -12.587 1.00 0.00 H new ATOM 0 HB2 ARG B 47 11.987 -3.903 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG B 47 10.416 -4.280 -10.689 1.00 0.00 H new ATOM 0 HG2 ARG B 47 10.868 -4.806 -13.638 1.00 0.00 H new ATOM 0 HG3 ARG B 47 11.571 -5.917 -12.479 1.00 0.00 H new ATOM 0 HD2 ARG B 47 9.473 -6.910 -12.693 1.00 0.00 H new ATOM 0 HD3 ARG B 47 9.108 -5.799 -11.387 1.00 0.00 H new ATOM 0 HE ARG B 47 8.674 -4.372 -13.864 1.00 0.00 H new ATOM 0 HH11 ARG B 47 7.556 -7.072 -14.648 1.00 0.00 H new ATOM 0 HH12 ARG B 47 5.883 -6.952 -14.093 1.00 0.00 H new ATOM 0 HH21 ARG B 47 6.513 -4.232 -11.990 1.00 0.00 H new ATOM 0 HH22 ARG B 47 5.298 -5.358 -12.602 1.00 0.00 H new ATOM 1831 N GLN B 48 9.436 -1.619 -10.262 1.00 0.00 N ATOM 1832 CA GLN B 48 9.467 -0.490 -9.314 1.00 0.00 C ATOM 1833 C GLN B 48 10.341 -0.861 -8.133 1.00 0.00 C ATOM 1834 O GLN B 48 9.904 -1.042 -7.017 1.00 0.00 O ATOM 1835 CB GLN B 48 8.062 -0.087 -8.915 1.00 0.00 C ATOM 1836 CG GLN B 48 7.659 1.062 -9.840 1.00 0.00 C ATOM 1837 CD GLN B 48 6.215 1.483 -9.558 1.00 0.00 C ATOM 1838 OE1 GLN B 48 5.954 2.629 -9.251 1.00 0.00 O ATOM 1839 NE2 GLN B 48 5.260 0.601 -9.661 1.00 0.00 N ATOM 0 H GLN B 48 8.694 -2.306 -10.130 1.00 0.00 H new ATOM 0 HA GLN B 48 9.906 0.389 -9.786 1.00 0.00 H new ATOM 0 HB2 GLN B 48 7.374 -0.926 -9.017 1.00 0.00 H new ATOM 0 HB3 GLN B 48 8.030 0.226 -7.871 1.00 0.00 H new ATOM 0 HG2 GLN B 48 8.328 1.910 -9.693 1.00 0.00 H new ATOM 0 HG3 GLN B 48 7.759 0.754 -10.881 1.00 0.00 H new ATOM 0 HE21 GLN B 48 5.480 -0.361 -9.919 1.00 0.00 H new ATOM 0 HE22 GLN B 48 4.293 0.873 -9.484 1.00 0.00 H new ATOM 1848 N VAL B 49 11.599 -0.956 -8.422 1.00 0.00 N ATOM 1849 CA VAL B 49 12.615 -1.308 -7.405 1.00 0.00 C ATOM 1850 C VAL B 49 12.442 -0.401 -6.178 1.00 0.00 C ATOM 1851 O VAL B 49 11.763 0.604 -6.225 1.00 0.00 O ATOM 1852 CB VAL B 49 14.034 -1.129 -7.987 1.00 0.00 C ATOM 1853 CG1 VAL B 49 14.927 -2.215 -7.398 1.00 0.00 C ATOM 1854 CG2 VAL B 49 14.059 -1.258 -9.537 1.00 0.00 C ATOM 0 H VAL B 49 11.979 -0.798 -9.355 1.00 0.00 H new ATOM 0 HA VAL B 49 12.483 -2.350 -7.113 1.00 0.00 H new ATOM 0 HB VAL B 49 14.382 -0.128 -7.731 1.00 0.00 H new ATOM 0 HG11 VAL B 49 15.937 -2.110 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.951 -2.117 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.532 -3.195 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL B 49 15.079 -1.124 -9.897 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.699 -2.245 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.416 -0.495 -9.976 1.00 0.00 H new ATOM 1864 N CYS B 50 13.047 -0.760 -5.079 1.00 0.00 N ATOM 1865 CA CYS B 50 12.925 0.058 -3.839 1.00 0.00 C ATOM 1866 C CYS B 50 14.327 0.376 -3.314 1.00 0.00 C ATOM 1867 O CYS B 50 15.310 -0.089 -3.854 1.00 0.00 O ATOM 1868 CB CYS B 50 12.184 -0.752 -2.782 1.00 0.00 C ATOM 1869 SG CYS B 50 11.367 0.370 -1.628 1.00 0.00 S ATOM 0 H CYS B 50 13.627 -1.594 -4.986 1.00 0.00 H new ATOM 0 HA CYS B 50 12.385 0.980 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS B 50 11.449 -1.402 -3.256 1.00 0.00 H new ATOM 0 HB3 CYS B 50 12.882 -1.397 -2.247 1.00 0.00 H new ATOM 1874 N ALA B 51 14.441 1.145 -2.258 1.00 0.00 N ATOM 1875 CA ALA B 51 15.797 1.447 -1.720 1.00 0.00 C ATOM 1876 C ALA B 51 15.722 2.450 -0.579 1.00 0.00 C ATOM 1877 O ALA B 51 16.585 3.283 -0.433 1.00 0.00 O ATOM 1878 CB ALA B 51 16.678 2.006 -2.838 1.00 0.00 C ATOM 0 H ALA B 51 13.663 1.570 -1.754 1.00 0.00 H new ATOM 0 HA ALA B 51 16.228 0.523 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA B 51 17.670 2.227 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA B 51 16.761 1.270 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA B 51 16.232 2.920 -3.230 1.00 0.00 H new ATOM 1884 N ASN B 52 14.726 2.356 0.259 1.00 0.00 N ATOM 1885 CA ASN B 52 14.639 3.292 1.418 1.00 0.00 C ATOM 1886 C ASN B 52 14.456 4.731 0.921 1.00 0.00 C ATOM 1887 O ASN B 52 15.024 5.101 -0.087 1.00 0.00 O ATOM 1888 CB ASN B 52 15.944 3.194 2.210 1.00 0.00 C ATOM 1889 CG ASN B 52 15.833 4.006 3.503 1.00 0.00 C ATOM 1890 OD1 ASN B 52 15.839 5.221 3.472 1.00 0.00 O ATOM 1891 ND2 ASN B 52 15.734 3.382 4.644 1.00 0.00 N ATOM 0 H ASN B 52 13.970 1.674 0.193 1.00 0.00 H new ATOM 0 HA ASN B 52 13.788 3.026 2.045 1.00 0.00 H new ATOM 0 HB2 ASN B 52 16.160 2.151 2.443 1.00 0.00 H new ATOM 0 HB3 ASN B 52 16.773 3.565 1.608 1.00 0.00 H new ATOM 0 HD21 ASN B 52 15.661 3.914 5.511 1.00 0.00 H new ATOM 0 HD22 ASN B 52 15.729 2.362 4.669 1.00 0.00 H new ATOM 1898 N PRO B 53 13.662 5.512 1.627 1.00 0.00 N ATOM 1899 CA PRO B 53 13.411 6.900 1.235 1.00 0.00 C ATOM 1900 C PRO B 53 14.508 7.829 1.776 1.00 0.00 C ATOM 1901 O PRO B 53 15.037 8.660 1.064 1.00 0.00 O ATOM 1902 CB PRO B 53 12.097 7.235 1.926 1.00 0.00 C ATOM 1903 CG PRO B 53 11.985 6.273 3.139 1.00 0.00 C ATOM 1904 CD PRO B 53 12.936 5.093 2.851 1.00 0.00 C ATOM 0 HA PRO B 53 13.389 7.024 0.152 1.00 0.00 H new ATOM 0 HB2 PRO B 53 12.083 8.275 2.252 1.00 0.00 H new ATOM 0 HB3 PRO B 53 11.255 7.103 1.246 1.00 0.00 H new ATOM 0 HG2 PRO B 53 12.264 6.780 4.063 1.00 0.00 H new ATOM 0 HG3 PRO B 53 10.960 5.924 3.264 1.00 0.00 H new ATOM 0 HD2 PRO B 53 13.620 4.919 3.682 1.00 0.00 H new ATOM 0 HD3 PRO B 53 12.386 4.166 2.692 1.00 0.00 H new ATOM 1912 N GLU B 54 14.827 7.716 3.045 1.00 0.00 N ATOM 1913 CA GLU B 54 15.860 8.616 3.646 1.00 0.00 C ATOM 1914 C GLU B 54 17.191 7.883 3.849 1.00 0.00 C ATOM 1915 O GLU B 54 17.825 8.007 4.879 1.00 0.00 O ATOM 1916 CB GLU B 54 15.364 9.123 5.001 1.00 0.00 C ATOM 1917 CG GLU B 54 16.035 10.461 5.319 1.00 0.00 C ATOM 1918 CD GLU B 54 15.424 11.051 6.591 1.00 0.00 C ATOM 1919 OE1 GLU B 54 14.320 10.661 6.930 1.00 0.00 O ATOM 1920 OE2 GLU B 54 16.073 11.882 7.205 1.00 0.00 O ATOM 0 H GLU B 54 14.416 7.040 3.688 1.00 0.00 H new ATOM 0 HA GLU B 54 16.023 9.448 2.961 1.00 0.00 H new ATOM 0 HB2 GLU B 54 14.281 9.242 4.983 1.00 0.00 H new ATOM 0 HB3 GLU B 54 15.592 8.395 5.780 1.00 0.00 H new ATOM 0 HG2 GLU B 54 17.108 10.319 5.450 1.00 0.00 H new ATOM 0 HG3 GLU B 54 15.904 11.152 4.486 1.00 0.00 H new ATOM 1927 N LYS B 55 17.632 7.142 2.875 1.00 0.00 N ATOM 1928 CA LYS B 55 18.937 6.427 3.010 1.00 0.00 C ATOM 1929 C LYS B 55 20.051 7.289 2.400 1.00 0.00 C ATOM 1930 O LYS B 55 21.052 6.785 1.933 1.00 0.00 O ATOM 1931 CB LYS B 55 18.868 5.082 2.289 1.00 0.00 C ATOM 1932 CG LYS B 55 18.866 3.950 3.318 1.00 0.00 C ATOM 1933 CD LYS B 55 20.306 3.578 3.675 1.00 0.00 C ATOM 1934 CE LYS B 55 20.300 2.559 4.816 1.00 0.00 C ATOM 1935 NZ LYS B 55 21.701 2.224 5.194 1.00 0.00 N ATOM 0 H LYS B 55 17.148 6.998 1.989 1.00 0.00 H new ATOM 0 HA LYS B 55 19.149 6.252 4.065 1.00 0.00 H new ATOM 0 HB2 LYS B 55 17.968 5.032 1.676 1.00 0.00 H new ATOM 0 HB3 LYS B 55 19.719 4.974 1.616 1.00 0.00 H new ATOM 0 HG2 LYS B 55 18.327 4.260 4.213 1.00 0.00 H new ATOM 0 HG3 LYS B 55 18.344 3.081 2.917 1.00 0.00 H new ATOM 0 HD2 LYS B 55 20.812 3.162 2.804 1.00 0.00 H new ATOM 0 HD3 LYS B 55 20.861 4.468 3.971 1.00 0.00 H new ATOM 0 HE2 LYS B 55 19.768 2.964 5.676 1.00 0.00 H new ATOM 0 HE3 LYS B 55 19.770 1.657 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 21.695 1.531 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 22.195 1.820 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 22.193 3.086 5.504 1.00 0.00 H new ATOM 1949 N LYS B 56 19.880 8.587 2.413 1.00 0.00 N ATOM 1950 CA LYS B 56 20.917 9.506 1.854 1.00 0.00 C ATOM 1951 C LYS B 56 21.137 9.239 0.358 1.00 0.00 C ATOM 1952 O LYS B 56 20.532 9.873 -0.484 1.00 0.00 O ATOM 1953 CB LYS B 56 22.234 9.313 2.612 1.00 0.00 C ATOM 1954 CG LYS B 56 22.126 9.956 3.997 1.00 0.00 C ATOM 1955 CD LYS B 56 21.122 9.174 4.846 1.00 0.00 C ATOM 1956 CE LYS B 56 21.374 9.463 6.327 1.00 0.00 C ATOM 1957 NZ LYS B 56 20.975 10.865 6.635 1.00 0.00 N ATOM 0 H LYS B 56 19.056 9.054 2.792 1.00 0.00 H new ATOM 0 HA LYS B 56 20.570 10.533 1.972 1.00 0.00 H new ATOM 0 HB2 LYS B 56 22.457 8.251 2.709 1.00 0.00 H new ATOM 0 HB3 LYS B 56 23.056 9.762 2.054 1.00 0.00 H new ATOM 0 HG2 LYS B 56 23.102 9.963 4.483 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.808 10.995 3.904 1.00 0.00 H new ATOM 0 HD2 LYS B 56 20.104 9.456 4.577 1.00 0.00 H new ATOM 0 HD3 LYS B 56 21.218 8.106 4.651 1.00 0.00 H new ATOM 0 HE2 LYS B 56 20.806 8.768 6.946 1.00 0.00 H new ATOM 0 HE3 LYS B 56 22.427 9.313 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 21.066 11.035 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 21.592 11.523 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 19.988 11.016 6.346 1.00 0.00 H new ATOM 1971 N TRP B 57 22.015 8.328 0.024 1.00 0.00 N ATOM 1972 CA TRP B 57 22.309 8.032 -1.413 1.00 0.00 C ATOM 1973 C TRP B 57 21.022 7.952 -2.252 1.00 0.00 C ATOM 1974 O TRP B 57 21.002 8.366 -3.395 1.00 0.00 O ATOM 1975 CB TRP B 57 23.099 6.721 -1.498 1.00 0.00 C ATOM 1976 CG TRP B 57 22.231 5.571 -1.163 1.00 0.00 C ATOM 1977 CD1 TRP B 57 22.284 4.825 -0.039 1.00 0.00 C ATOM 1978 CD2 TRP B 57 21.300 4.933 -2.041 1.00 0.00 C ATOM 1979 NE1 TRP B 57 21.388 3.775 -0.164 1.00 0.00 N ATOM 1980 CE2 TRP B 57 20.764 3.791 -1.394 1.00 0.00 C ATOM 1981 CE3 TRP B 57 20.871 5.246 -3.343 1.00 0.00 C ATOM 1982 CZ2 TRP B 57 19.827 2.968 -2.037 1.00 0.00 C ATOM 1983 CZ3 TRP B 57 19.949 4.428 -4.000 1.00 0.00 C ATOM 1984 CH2 TRP B 57 19.430 3.283 -3.355 1.00 0.00 C ATOM 0 H TRP B 57 22.547 7.770 0.692 1.00 0.00 H new ATOM 0 HA TRP B 57 22.904 8.847 -1.826 1.00 0.00 H new ATOM 0 HB2 TRP B 57 23.504 6.598 -2.502 1.00 0.00 H new ATOM 0 HB3 TRP B 57 23.947 6.756 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP B 57 22.918 5.015 0.814 1.00 0.00 H new ATOM 0 HE1 TRP B 57 21.212 3.079 0.561 1.00 0.00 H new ATOM 0 HE3 TRP B 57 21.257 6.125 -3.838 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 19.416 2.107 -1.532 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 19.632 4.671 -5.003 1.00 0.00 H new ATOM 0 HH2 TRP B 57 18.727 2.646 -3.872 1.00 0.00 H new ATOM 1995 N VAL B 58 19.955 7.431 -1.715 1.00 0.00 N ATOM 1996 CA VAL B 58 18.692 7.345 -2.525 1.00 0.00 C ATOM 1997 C VAL B 58 18.282 8.732 -3.004 1.00 0.00 C ATOM 1998 O VAL B 58 18.003 8.926 -4.165 1.00 0.00 O ATOM 1999 CB VAL B 58 17.534 6.763 -1.713 1.00 0.00 C ATOM 2000 CG1 VAL B 58 17.488 5.258 -1.914 1.00 0.00 C ATOM 2001 CG2 VAL B 58 17.691 7.091 -0.238 1.00 0.00 C ATOM 0 H VAL B 58 19.894 7.064 -0.765 1.00 0.00 H new ATOM 0 HA VAL B 58 18.900 6.688 -3.370 1.00 0.00 H new ATOM 0 HB VAL B 58 16.600 7.206 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL B 58 16.664 4.839 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL B 58 17.340 5.036 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL B 58 18.427 4.817 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL B 58 16.856 6.667 0.320 1.00 0.00 H new ATOM 0 HG22 VAL B 58 18.626 6.669 0.131 1.00 0.00 H new ATOM 0 HG23 VAL B 58 17.704 8.173 -0.105 1.00 0.00 H new ATOM 2011 N ARG B 59 18.224 9.694 -2.126 1.00 0.00 N ATOM 2012 CA ARG B 59 17.818 11.062 -2.551 1.00 0.00 C ATOM 2013 C ARG B 59 18.900 11.638 -3.460 1.00 0.00 C ATOM 2014 O ARG B 59 18.627 12.403 -4.364 1.00 0.00 O ATOM 2015 CB ARG B 59 17.642 11.952 -1.320 1.00 0.00 C ATOM 2016 CG ARG B 59 16.218 11.798 -0.781 1.00 0.00 C ATOM 2017 CD ARG B 59 15.967 12.844 0.308 1.00 0.00 C ATOM 2018 NE ARG B 59 14.511 13.160 0.364 1.00 0.00 N ATOM 2019 CZ ARG B 59 13.988 13.633 1.462 1.00 0.00 C ATOM 2020 NH1 ARG B 59 14.606 14.571 2.127 1.00 0.00 N ATOM 2021 NH2 ARG B 59 12.847 13.169 1.894 1.00 0.00 N ATOM 0 H ARG B 59 18.440 9.592 -1.134 1.00 0.00 H new ATOM 0 HA ARG B 59 16.872 11.018 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG B 59 18.365 11.677 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG B 59 17.834 12.993 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG B 59 15.497 11.919 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG B 59 16.078 10.796 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG B 59 16.306 12.469 1.273 1.00 0.00 H new ATOM 0 HD3 ARG B 59 16.539 13.748 0.098 1.00 0.00 H new ATOM 0 HE ARG B 59 13.924 13.006 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG B 59 15.497 14.934 1.788 1.00 0.00 H new ATOM 0 HH12 ARG B 59 14.198 14.941 2.985 1.00 0.00 H new ATOM 0 HH21 ARG B 59 12.364 12.437 1.373 1.00 0.00 H new ATOM 0 HH22 ARG B 59 12.438 13.539 2.752 1.00 0.00 H new ATOM 2035 N GLU B 60 20.128 11.261 -3.239 1.00 0.00 N ATOM 2036 CA GLU B 60 21.232 11.767 -4.101 1.00 0.00 C ATOM 2037 C GLU B 60 21.068 11.189 -5.509 1.00 0.00 C ATOM 2038 O GLU B 60 21.620 11.692 -6.467 1.00 0.00 O ATOM 2039 CB GLU B 60 22.577 11.322 -3.523 1.00 0.00 C ATOM 2040 CG GLU B 60 23.042 12.328 -2.469 1.00 0.00 C ATOM 2041 CD GLU B 60 24.472 11.994 -2.040 1.00 0.00 C ATOM 2042 OE1 GLU B 60 24.653 10.971 -1.401 1.00 0.00 O ATOM 2043 OE2 GLU B 60 25.361 12.763 -2.363 1.00 0.00 O ATOM 0 H GLU B 60 20.415 10.623 -2.497 1.00 0.00 H new ATOM 0 HA GLU B 60 21.199 12.856 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU B 60 22.483 10.331 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU B 60 23.318 11.245 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU B 60 22.999 13.340 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU B 60 22.376 12.301 -1.606 1.00 0.00 H new ATOM 2050 N TYR B 61 20.301 10.139 -5.640 1.00 0.00 N ATOM 2051 CA TYR B 61 20.083 9.524 -6.975 1.00 0.00 C ATOM 2052 C TYR B 61 18.808 10.118 -7.566 1.00 0.00 C ATOM 2053 O TYR B 61 18.680 10.294 -8.762 1.00 0.00 O ATOM 2054 CB TYR B 61 19.911 8.011 -6.819 1.00 0.00 C ATOM 2055 CG TYR B 61 21.261 7.339 -6.688 1.00 0.00 C ATOM 2056 CD1 TYR B 61 22.246 7.871 -5.822 1.00 0.00 C ATOM 2057 CD2 TYR B 61 21.523 6.151 -7.405 1.00 0.00 C ATOM 2058 CE1 TYR B 61 23.488 7.213 -5.676 1.00 0.00 C ATOM 2059 CE2 TYR B 61 22.766 5.497 -7.261 1.00 0.00 C ATOM 2060 CZ TYR B 61 23.749 6.027 -6.396 1.00 0.00 C ATOM 2061 OH TYR B 61 24.961 5.384 -6.252 1.00 0.00 O ATOM 0 H TYR B 61 19.814 9.680 -4.871 1.00 0.00 H new ATOM 0 HA TYR B 61 20.935 9.721 -7.626 1.00 0.00 H new ATOM 0 HB2 TYR B 61 19.303 7.796 -5.940 1.00 0.00 H new ATOM 0 HB3 TYR B 61 19.379 7.608 -7.681 1.00 0.00 H new ATOM 0 HD1 TYR B 61 22.048 8.780 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR B 61 20.772 5.742 -8.064 1.00 0.00 H new ATOM 0 HE1 TYR B 61 24.238 7.618 -5.013 1.00 0.00 H new ATOM 0 HE2 TYR B 61 22.965 4.590 -7.813 1.00 0.00 H new ATOM 0 HH TYR B 61 24.976 4.583 -6.817 1.00 0.00 H new ATOM 2071 N ILE B 62 17.865 10.433 -6.722 1.00 0.00 N ATOM 2072 CA ILE B 62 16.590 11.026 -7.203 1.00 0.00 C ATOM 2073 C ILE B 62 16.894 12.301 -8.001 1.00 0.00 C ATOM 2074 O ILE B 62 16.478 12.450 -9.132 1.00 0.00 O ATOM 2075 CB ILE B 62 15.711 11.359 -5.988 1.00 0.00 C ATOM 2076 CG1 ILE B 62 15.254 10.060 -5.322 1.00 0.00 C ATOM 2077 CG2 ILE B 62 14.482 12.159 -6.425 1.00 0.00 C ATOM 2078 CD1 ILE B 62 14.493 10.386 -4.035 1.00 0.00 C ATOM 0 H ILE B 62 17.925 10.303 -5.712 1.00 0.00 H new ATOM 0 HA ILE B 62 16.065 10.322 -7.848 1.00 0.00 H new ATOM 0 HB ILE B 62 16.292 11.955 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE B 62 14.615 9.496 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE B 62 16.116 9.431 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE B 62 13.868 12.388 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE B 62 14.802 13.088 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE B 62 13.899 11.572 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE B 62 14.167 9.460 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE B 62 15.146 10.932 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE B 62 13.623 10.998 -4.272 1.00 0.00 H new ATOM 2090 N ASN B 63 17.613 13.220 -7.416 1.00 0.00 N ATOM 2091 CA ASN B 63 17.936 14.483 -8.140 1.00 0.00 C ATOM 2092 C ASN B 63 19.053 14.226 -9.154 1.00 0.00 C ATOM 2093 O ASN B 63 19.117 14.854 -10.191 1.00 0.00 O ATOM 2094 CB ASN B 63 18.394 15.541 -7.134 1.00 0.00 C ATOM 2095 CG ASN B 63 17.168 16.199 -6.496 1.00 0.00 C ATOM 2096 OD1 ASN B 63 16.823 17.317 -6.827 1.00 0.00 O ATOM 2097 ND2 ASN B 63 16.490 15.549 -5.590 1.00 0.00 N ATOM 0 H ASN B 63 17.990 13.152 -6.471 1.00 0.00 H new ATOM 0 HA ASN B 63 17.048 14.836 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN B 63 19.016 15.083 -6.365 1.00 0.00 H new ATOM 0 HB3 ASN B 63 19.006 16.293 -7.633 1.00 0.00 H new ATOM 0 HD21 ASN B 63 15.671 15.979 -5.160 1.00 0.00 H new ATOM 0 HD22 ASN B 63 16.779 14.611 -5.312 1.00 0.00 H new ATOM 2104 N SER B 64 19.935 13.309 -8.862 1.00 0.00 N ATOM 2105 CA SER B 64 21.046 13.017 -9.812 1.00 0.00 C ATOM 2106 C SER B 64 20.508 12.261 -11.034 1.00 0.00 C ATOM 2107 O SER B 64 21.200 12.092 -12.019 1.00 0.00 O ATOM 2108 CB SER B 64 22.102 12.160 -9.112 1.00 0.00 C ATOM 2109 OG SER B 64 23.168 11.891 -10.010 1.00 0.00 O ATOM 0 H SER B 64 19.934 12.750 -8.008 1.00 0.00 H new ATOM 0 HA SER B 64 21.491 13.957 -10.139 1.00 0.00 H new ATOM 0 HB2 SER B 64 22.478 12.677 -8.229 1.00 0.00 H new ATOM 0 HB3 SER B 64 21.658 11.226 -8.769 1.00 0.00 H new ATOM 0 HG SER B 64 22.855 12.004 -10.932 1.00 0.00 H new ATOM 2115 N LEU B 65 19.286 11.802 -10.984 1.00 0.00 N ATOM 2116 CA LEU B 65 18.722 11.060 -12.147 1.00 0.00 C ATOM 2117 C LEU B 65 18.125 12.053 -13.146 1.00 0.00 C ATOM 2118 O LEU B 65 17.340 12.910 -12.791 1.00 0.00 O ATOM 2119 CB LEU B 65 17.631 10.104 -11.663 1.00 0.00 C ATOM 2120 CG LEU B 65 18.249 8.741 -11.344 1.00 0.00 C ATOM 2121 CD1 LEU B 65 17.172 7.815 -10.774 1.00 0.00 C ATOM 2122 CD2 LEU B 65 18.824 8.128 -12.622 1.00 0.00 C ATOM 0 H LEU B 65 18.656 11.909 -10.189 1.00 0.00 H new ATOM 0 HA LEU B 65 19.514 10.490 -12.632 1.00 0.00 H new ATOM 0 HB2 LEU B 65 17.144 10.510 -10.777 1.00 0.00 H new ATOM 0 HB3 LEU B 65 16.862 9.996 -12.428 1.00 0.00 H new ATOM 0 HG LEU B 65 19.047 8.866 -10.612 1.00 0.00 H new ATOM 0 HD11 LEU B 65 17.611 6.844 -10.546 1.00 0.00 H new ATOM 0 HD12 LEU B 65 16.763 8.251 -9.863 1.00 0.00 H new ATOM 0 HD13 LEU B 65 16.375 7.690 -11.507 1.00 0.00 H new ATOM 0 HD21 LEU B 65 19.264 7.157 -12.394 1.00 0.00 H new ATOM 0 HD22 LEU B 65 18.028 8.002 -13.355 1.00 0.00 H new ATOM 0 HD23 LEU B 65 19.591 8.787 -13.029 1.00 0.00 H new