USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot -5:sc= 0.611 USER MOD Set 1.2: A 87 GLN : amide:sc= -1.82 X(o=-1.2,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0486) USER MOD Single : A 24 ASN : amide:sc= -0.0419 K(o=-0.042,f=-0.77) USER MOD Single : A 26 GLN : amide:sc= -1.95 K(o=-2,f=-7.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0249 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.86 F(o=-3.6,f=-1.9) USER MOD Single : A 64 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -1.33 F(o=-2.8!,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= -1.84! (180deg=-1.85!) USER MOD Single : A 86 SER OG : rot 66:sc= 1.2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 66:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -167:sc= -2.61 (180deg=-2.75!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 104 SER OG : rot 180:sc= -0.152 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -7.822 -4.895 -11.781 1.00 0.00 N ATOM 71 CA LYS A 21 -6.869 -4.188 -12.629 1.00 0.00 C ATOM 72 C LYS A 21 -5.868 -3.405 -11.787 1.00 0.00 C ATOM 73 O LYS A 21 -6.164 -3.009 -10.660 1.00 0.00 O ATOM 74 CB LYS A 21 -7.599 -3.241 -13.586 1.00 0.00 C ATOM 75 CG LYS A 21 -8.846 -2.608 -12.991 1.00 0.00 C ATOM 76 CD LYS A 21 -8.508 -1.693 -11.826 1.00 0.00 C ATOM 77 CE LYS A 21 -9.574 -0.629 -11.633 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.916 -1.224 -11.386 1.00 0.00 N ATOM 0 HA LYS A 21 -6.326 -4.931 -13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.914 -2.451 -13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.876 -3.791 -14.485 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.369 -2.040 -13.761 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.526 -3.390 -12.654 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.410 -2.282 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.544 -1.217 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.301 0.010 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.616 0.007 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.578 -0.477 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.263 -1.672 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.846 -1.939 -10.634 1.00 0.00 H new ATOM 92 N ARG A 22 -4.680 -3.183 -12.342 1.00 0.00 N ATOM 93 CA ARG A 22 -3.638 -2.446 -11.640 1.00 0.00 C ATOM 94 C ARG A 22 -3.470 -1.048 -12.228 1.00 0.00 C ATOM 95 O ARG A 22 -3.504 -0.867 -13.444 1.00 0.00 O ATOM 96 CB ARG A 22 -2.310 -3.203 -11.707 1.00 0.00 C ATOM 97 CG ARG A 22 -1.771 -3.370 -13.118 1.00 0.00 C ATOM 98 CD ARG A 22 -0.818 -4.551 -13.212 1.00 0.00 C ATOM 99 NE ARG A 22 -0.310 -4.737 -14.570 1.00 0.00 N ATOM 100 CZ ARG A 22 0.326 -5.834 -14.978 1.00 0.00 C ATOM 101 NH1 ARG A 22 0.532 -6.841 -14.140 1.00 0.00 N ATOM 102 NH2 ARG A 22 0.756 -5.922 -16.230 1.00 0.00 N ATOM 0 H ARG A 22 -4.417 -3.503 -13.274 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.939 -2.349 -10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.570 -2.675 -11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.441 -4.188 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.600 -3.513 -13.811 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.255 -2.459 -13.422 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.018 -4.397 -12.530 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.331 -5.457 -12.889 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.451 -3.984 -15.243 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.203 -6.778 -13.177 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.020 -7.678 -14.459 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.599 -5.150 -16.878 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.243 -6.761 -16.544 1.00 0.00 H new ATOM 116 N LEU A 23 -3.294 -0.063 -11.352 1.00 0.00 N ATOM 117 CA LEU A 23 -3.127 1.321 -11.788 1.00 0.00 C ATOM 118 C LEU A 23 -1.966 1.991 -11.062 1.00 0.00 C ATOM 119 O LEU A 23 -1.600 1.596 -9.955 1.00 0.00 O ATOM 120 CB LEU A 23 -4.416 2.129 -11.567 1.00 0.00 C ATOM 121 CG LEU A 23 -5.519 1.415 -10.780 1.00 0.00 C ATOM 122 CD1 LEU A 23 -5.950 2.246 -9.580 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.710 1.118 -11.679 1.00 0.00 C ATOM 0 H LEU A 23 -3.263 -0.195 -10.341 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.905 1.301 -12.855 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.160 3.051 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.816 2.415 -12.540 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.119 0.469 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.734 1.720 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.096 2.405 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.329 3.209 -9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.483 0.611 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.108 2.052 -12.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.393 0.478 -12.503 1.00 0.00 H new ATOM 135 N ASN A 24 -1.396 3.014 -11.692 1.00 0.00 N ATOM 136 CA ASN A 24 -0.280 3.750 -11.108 1.00 0.00 C ATOM 137 C ASN A 24 -0.775 5.027 -10.440 1.00 0.00 C ATOM 138 O ASN A 24 -1.361 5.892 -11.091 1.00 0.00 O ATOM 139 CB ASN A 24 0.756 4.088 -12.180 1.00 0.00 C ATOM 140 CG ASN A 24 2.124 4.374 -11.592 1.00 0.00 C ATOM 141 OD1 ASN A 24 2.587 3.668 -10.695 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.780 5.413 -12.094 1.00 0.00 N ATOM 0 H ASN A 24 -1.689 3.352 -12.608 1.00 0.00 H new ATOM 0 HA ASN A 24 0.189 3.119 -10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.832 3.258 -12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.419 4.956 -12.747 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.705 5.653 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.359 5.971 -12.837 1.00 0.00 H new ATOM 149 N ILE A 25 -0.542 5.141 -9.136 1.00 0.00 N ATOM 150 CA ILE A 25 -0.973 6.312 -8.384 1.00 0.00 C ATOM 151 C ILE A 25 0.187 6.941 -7.621 1.00 0.00 C ATOM 152 O ILE A 25 0.740 6.336 -6.704 1.00 0.00 O ATOM 153 CB ILE A 25 -2.093 5.955 -7.389 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.199 5.171 -8.099 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.653 7.215 -6.744 1.00 0.00 C ATOM 156 CD1 ILE A 25 -4.347 4.785 -7.192 1.00 0.00 C ATOM 0 H ILE A 25 -0.057 4.437 -8.580 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.353 7.030 -9.111 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.676 5.327 -6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.585 5.770 -8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.771 4.268 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.443 6.945 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.857 7.735 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.060 7.869 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.092 4.232 -7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.975 4.159 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.802 5.685 -6.777 1.00 0.00 H new ATOM 168 N GLN A 26 0.544 8.163 -8.003 1.00 0.00 N ATOM 169 CA GLN A 26 1.633 8.878 -7.348 1.00 0.00 C ATOM 170 C GLN A 26 1.088 9.928 -6.386 1.00 0.00 C ATOM 171 O GLN A 26 -0.037 10.401 -6.543 1.00 0.00 O ATOM 172 CB GLN A 26 2.549 9.537 -8.384 1.00 0.00 C ATOM 173 CG GLN A 26 1.810 10.127 -9.574 1.00 0.00 C ATOM 174 CD GLN A 26 0.719 11.095 -9.162 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.435 10.707 -8.975 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.079 12.367 -9.020 1.00 0.00 N ATOM 0 H GLN A 26 0.096 8.678 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 26 2.216 8.154 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.122 10.326 -7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.265 8.798 -8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.522 10.641 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.372 9.320 -10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.047 12.645 -9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.388 13.065 -8.746 1.00 0.00 H new ATOM 185 N LEU A 27 1.886 10.279 -5.383 1.00 0.00 N ATOM 186 CA LEU A 27 1.469 11.264 -4.392 1.00 0.00 C ATOM 187 C LEU A 27 2.617 12.185 -3.990 1.00 0.00 C ATOM 188 O LEU A 27 3.696 11.726 -3.620 1.00 0.00 O ATOM 189 CB LEU A 27 0.910 10.556 -3.157 1.00 0.00 C ATOM 190 CG LEU A 27 -0.203 9.550 -3.448 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.410 8.621 -2.262 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.494 10.271 -3.797 1.00 0.00 C ATOM 0 H LEU A 27 2.821 9.898 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 27 0.692 11.881 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.725 10.039 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.530 11.307 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 27 0.095 8.946 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.207 7.913 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.513 8.077 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.685 9.207 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.276 9.539 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.796 10.901 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.337 10.891 -4.680 1.00 0.00 H new ATOM 204 N LYS A 28 2.368 13.487 -4.064 1.00 0.00 N ATOM 205 CA LYS A 28 3.367 14.488 -3.709 1.00 0.00 C ATOM 206 C LYS A 28 3.470 14.649 -2.195 1.00 0.00 C ATOM 207 O LYS A 28 2.495 15.004 -1.533 1.00 0.00 O ATOM 208 CB LYS A 28 3.016 15.833 -4.346 1.00 0.00 C ATOM 209 CG LYS A 28 4.128 16.861 -4.251 1.00 0.00 C ATOM 210 CD LYS A 28 5.314 16.471 -5.115 1.00 0.00 C ATOM 211 CE LYS A 28 6.399 17.538 -5.095 1.00 0.00 C ATOM 212 NZ LYS A 28 6.559 18.194 -6.422 1.00 0.00 N ATOM 0 H LYS A 28 1.476 13.876 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 28 4.331 14.148 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.768 15.674 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.123 16.231 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.753 17.836 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.448 16.960 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.726 15.526 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.980 16.310 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.154 18.291 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.346 17.087 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.307 18.914 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.818 17.481 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.663 18.646 -6.696 1.00 0.00 H new ATOM 226 N LYS A 29 4.657 14.393 -1.652 1.00 0.00 N ATOM 227 CA LYS A 29 4.881 14.519 -0.215 1.00 0.00 C ATOM 228 C LYS A 29 4.604 15.948 0.249 1.00 0.00 C ATOM 229 O LYS A 29 4.871 16.906 -0.478 1.00 0.00 O ATOM 230 CB LYS A 29 6.315 14.121 0.140 1.00 0.00 C ATOM 231 CG LYS A 29 6.460 12.659 0.529 1.00 0.00 C ATOM 232 CD LYS A 29 7.063 12.501 1.917 1.00 0.00 C ATOM 233 CE LYS A 29 6.220 13.192 2.978 1.00 0.00 C ATOM 234 NZ LYS A 29 7.062 13.903 3.980 1.00 0.00 N ATOM 0 H LYS A 29 5.476 14.098 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 29 4.193 13.847 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.963 14.328 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.663 14.744 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.483 12.177 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.089 12.149 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.153 11.441 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.071 12.916 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.546 13.903 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.598 12.454 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.450 14.361 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.687 13.221 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.637 14.625 3.501 1.00 0.00 H new ATOM 284 N GLY A 33 2.913 12.987 5.723 1.00 0.00 N ATOM 285 CA GLY A 33 2.650 11.639 5.252 1.00 0.00 C ATOM 286 C GLY A 33 1.913 11.626 3.928 1.00 0.00 C ATOM 287 O GLY A 33 1.984 12.586 3.160 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.593 11.103 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.062 11.104 5.998 1.00 0.00 H new ATOM 291 N LEU A 34 1.205 10.534 3.657 1.00 0.00 N ATOM 292 CA LEU A 34 0.454 10.401 2.412 1.00 0.00 C ATOM 293 C LEU A 34 -1.036 10.179 2.679 1.00 0.00 C ATOM 294 O LEU A 34 -1.849 10.215 1.754 1.00 0.00 O ATOM 295 CB LEU A 34 1.018 9.250 1.579 1.00 0.00 C ATOM 296 CG LEU A 34 2.343 9.555 0.875 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.509 9.388 1.839 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.520 8.657 -0.338 1.00 0.00 C ATOM 0 H LEU A 34 1.135 9.730 4.281 1.00 0.00 H new ATOM 0 HA LEU A 34 0.559 11.332 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.158 8.385 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.280 8.968 0.828 1.00 0.00 H new ATOM 0 HG LEU A 34 2.323 10.591 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.443 9.609 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.388 10.073 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.532 8.363 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.467 8.887 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.519 7.614 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.701 8.825 -1.037 1.00 0.00 H new ATOM 310 N GLY A 35 -1.392 9.959 3.942 1.00 0.00 N ATOM 311 CA GLY A 35 -2.785 9.747 4.293 1.00 0.00 C ATOM 312 C GLY A 35 -3.285 8.368 3.915 1.00 0.00 C ATOM 313 O GLY A 35 -4.470 8.191 3.629 1.00 0.00 O ATOM 0 H GLY A 35 -0.742 9.924 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.910 9.892 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.398 10.499 3.796 1.00 0.00 H new ATOM 317 N PHE A 36 -2.389 7.390 3.912 1.00 0.00 N ATOM 318 CA PHE A 36 -2.764 6.027 3.564 1.00 0.00 C ATOM 319 C PHE A 36 -1.960 5.010 4.366 1.00 0.00 C ATOM 320 O PHE A 36 -0.730 5.058 4.399 1.00 0.00 O ATOM 321 CB PHE A 36 -2.580 5.793 2.058 1.00 0.00 C ATOM 322 CG PHE A 36 -1.169 5.459 1.653 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.114 6.277 2.026 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.902 4.327 0.901 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.181 5.971 1.655 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.392 4.015 0.528 1.00 0.00 C ATOM 327 CZ PHE A 36 1.435 4.839 0.906 1.00 0.00 C ATOM 0 H PHE A 36 -1.404 7.514 4.145 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.816 5.891 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.238 4.982 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.898 6.687 1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.306 7.163 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.714 3.681 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.995 6.617 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.587 3.129 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.447 4.598 0.616 1.00 0.00 H new ATOM 337 N SER A 37 -2.666 4.082 5.001 1.00 0.00 N ATOM 338 CA SER A 37 -2.025 3.041 5.791 1.00 0.00 C ATOM 339 C SER A 37 -2.100 1.713 5.052 1.00 0.00 C ATOM 340 O SER A 37 -3.146 1.355 4.510 1.00 0.00 O ATOM 341 CB SER A 37 -2.695 2.920 7.161 1.00 0.00 C ATOM 342 OG SER A 37 -2.010 3.691 8.134 1.00 0.00 O ATOM 0 H SER A 37 -3.685 4.030 4.983 1.00 0.00 H new ATOM 0 HA SER A 37 -0.979 3.308 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.731 3.252 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.715 1.875 7.469 1.00 0.00 H new ATOM 0 HG SER A 37 -2.459 3.598 9.000 1.00 0.00 H new ATOM 348 N ILE A 38 -0.988 0.992 5.016 1.00 0.00 N ATOM 349 CA ILE A 38 -0.943 -0.285 4.319 1.00 0.00 C ATOM 350 C ILE A 38 -0.844 -1.458 5.280 1.00 0.00 C ATOM 351 O ILE A 38 -0.127 -1.406 6.279 1.00 0.00 O ATOM 352 CB ILE A 38 0.239 -0.353 3.338 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.538 0.041 4.042 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.020 0.543 2.140 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.761 -0.064 3.159 1.00 0.00 C ATOM 0 H ILE A 38 -0.111 1.267 5.458 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.880 -0.356 3.767 1.00 0.00 H new ATOM 0 HB ILE A 38 0.342 -1.378 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.449 1.065 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.675 -0.596 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.825 0.486 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.926 0.215 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.145 1.572 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.645 0.231 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.876 -1.093 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.646 0.594 2.298 1.00 0.00 H new ATOM 367 N THR A 39 -1.561 -2.522 4.950 1.00 0.00 N ATOM 368 CA THR A 39 -1.557 -3.735 5.758 1.00 0.00 C ATOM 369 C THR A 39 -0.584 -4.752 5.173 1.00 0.00 C ATOM 370 O THR A 39 -0.060 -4.559 4.076 1.00 0.00 O ATOM 371 CB THR A 39 -2.960 -4.339 5.838 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.905 -5.675 6.304 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.689 -4.346 4.512 1.00 0.00 C ATOM 0 H THR A 39 -2.157 -2.571 4.123 1.00 0.00 H new ATOM 0 HA THR A 39 -1.236 -3.473 6.766 1.00 0.00 H new ATOM 0 HB THR A 39 -3.508 -3.700 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.812 -6.043 6.350 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.677 -4.788 4.642 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.794 -3.324 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.122 -4.932 3.788 1.00 0.00 H new ATOM 381 N SER A 40 -0.342 -5.830 5.907 1.00 0.00 N ATOM 382 CA SER A 40 0.574 -6.869 5.448 1.00 0.00 C ATOM 383 C SER A 40 -0.026 -8.257 5.645 1.00 0.00 C ATOM 384 O SER A 40 -0.447 -8.613 6.745 1.00 0.00 O ATOM 385 CB SER A 40 1.906 -6.764 6.192 1.00 0.00 C ATOM 386 OG SER A 40 1.834 -7.392 7.461 1.00 0.00 O ATOM 0 H SER A 40 -0.764 -6.009 6.818 1.00 0.00 H new ATOM 0 HA SER A 40 0.746 -6.721 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.695 -7.226 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.174 -5.715 6.317 1.00 0.00 H new ATOM 0 HG SER A 40 0.917 -7.698 7.623 1.00 0.00 H new ATOM 392 N ARG A 41 -0.062 -9.038 4.569 1.00 0.00 N ATOM 393 CA ARG A 41 -0.609 -10.388 4.625 1.00 0.00 C ATOM 394 C ARG A 41 0.229 -11.273 5.542 1.00 0.00 C ATOM 395 O ARG A 41 -0.291 -12.169 6.204 1.00 0.00 O ATOM 396 CB ARG A 41 -0.666 -10.995 3.222 1.00 0.00 C ATOM 397 CG ARG A 41 -2.006 -10.805 2.530 1.00 0.00 C ATOM 398 CD ARG A 41 -3.097 -11.631 3.192 1.00 0.00 C ATOM 399 NE ARG A 41 -4.114 -12.062 2.237 1.00 0.00 N ATOM 400 CZ ARG A 41 -5.285 -12.589 2.588 1.00 0.00 C ATOM 401 NH1 ARG A 41 -5.591 -12.749 3.869 1.00 0.00 N ATOM 402 NH2 ARG A 41 -6.154 -12.954 1.656 1.00 0.00 N ATOM 0 H ARG A 41 0.281 -8.759 3.650 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.620 -10.330 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.116 -10.547 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.448 -12.061 3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.282 -9.751 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.919 -11.089 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.652 -12.506 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.567 -11.044 3.982 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.916 -11.953 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.928 -12.468 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.490 -13.153 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.926 -12.831 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.051 -13.358 1.925 1.00 0.00 H new ATOM 491 N SER A 48 8.654 -11.446 1.571 1.00 0.00 N ATOM 492 CA SER A 48 8.013 -11.710 0.286 1.00 0.00 C ATOM 493 C SER A 48 6.497 -11.721 0.419 1.00 0.00 C ATOM 494 O SER A 48 5.790 -12.295 -0.410 1.00 0.00 O ATOM 495 CB SER A 48 8.488 -13.042 -0.280 1.00 0.00 C ATOM 496 OG SER A 48 9.606 -12.869 -1.133 1.00 0.00 O ATOM 0 HA SER A 48 8.294 -10.908 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.752 -13.714 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.676 -13.515 -0.832 1.00 0.00 H new ATOM 0 HG SER A 48 9.890 -13.740 -1.480 1.00 0.00 H new ATOM 502 N ALA A 49 6.009 -11.079 1.465 1.00 0.00 N ATOM 503 CA ALA A 49 4.576 -11.003 1.719 1.00 0.00 C ATOM 504 C ALA A 49 3.958 -9.815 0.984 1.00 0.00 C ATOM 505 O ALA A 49 4.560 -8.744 0.907 1.00 0.00 O ATOM 506 CB ALA A 49 4.314 -10.906 3.215 1.00 0.00 C ATOM 0 H ALA A 49 6.585 -10.600 2.157 1.00 0.00 H new ATOM 0 HA ALA A 49 4.108 -11.912 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.240 -10.850 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.719 -11.787 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.795 -10.012 3.611 1.00 0.00 H new ATOM 512 N PRO A 50 2.745 -9.988 0.424 1.00 0.00 N ATOM 513 CA PRO A 50 2.058 -8.924 -0.311 1.00 0.00 C ATOM 514 C PRO A 50 1.522 -7.828 0.605 1.00 0.00 C ATOM 515 O PRO A 50 1.086 -8.096 1.726 1.00 0.00 O ATOM 516 CB PRO A 50 0.905 -9.656 -1.001 1.00 0.00 C ATOM 517 CG PRO A 50 0.632 -10.833 -0.132 1.00 0.00 C ATOM 518 CD PRO A 50 1.957 -11.234 0.462 1.00 0.00 C ATOM 0 HA PRO A 50 2.729 -8.410 -0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.027 -9.017 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.179 -9.964 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.085 -10.582 0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.201 -11.651 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.844 -11.606 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.432 -12.027 -0.116 1.00 0.00 H new ATOM 526 N ILE A 51 1.561 -6.591 0.117 1.00 0.00 N ATOM 527 CA ILE A 51 1.083 -5.447 0.885 1.00 0.00 C ATOM 528 C ILE A 51 -0.189 -4.867 0.276 1.00 0.00 C ATOM 529 O ILE A 51 -0.398 -4.931 -0.936 1.00 0.00 O ATOM 530 CB ILE A 51 2.150 -4.337 0.955 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.496 -4.921 1.412 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.691 -3.211 1.873 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.775 -4.764 2.894 1.00 0.00 C ATOM 0 H ILE A 51 1.920 -6.356 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 51 0.871 -5.808 1.891 1.00 0.00 H new ATOM 0 HB ILE A 51 2.287 -3.916 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.523 -5.981 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.297 -4.439 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.457 -2.437 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.763 -2.786 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.524 -3.604 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.744 -5.203 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.784 -3.705 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.998 -5.271 3.466 1.00 0.00 H new ATOM 545 N TYR A 52 -1.035 -4.296 1.127 1.00 0.00 N ATOM 546 CA TYR A 52 -2.286 -3.695 0.682 1.00 0.00 C ATOM 547 C TYR A 52 -2.570 -2.416 1.460 1.00 0.00 C ATOM 548 O TYR A 52 -1.854 -2.086 2.405 1.00 0.00 O ATOM 549 CB TYR A 52 -3.447 -4.676 0.857 1.00 0.00 C ATOM 550 CG TYR A 52 -3.147 -6.071 0.360 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.250 -6.890 1.034 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.762 -6.570 -0.781 1.00 0.00 C ATOM 553 CE1 TYR A 52 -1.973 -8.167 0.584 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.491 -7.846 -1.237 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.596 -8.640 -0.553 1.00 0.00 C ATOM 556 OH TYR A 52 -2.323 -9.910 -1.004 1.00 0.00 O ATOM 0 H TYR A 52 -0.875 -4.237 2.133 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.187 -3.451 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.712 -4.726 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.318 -4.291 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.761 -6.523 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.463 -5.951 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.273 -8.791 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.978 -8.219 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.845 -10.089 -1.814 1.00 0.00 H new ATOM 566 N VAL A 53 -3.620 -1.704 1.067 1.00 0.00 N ATOM 567 CA VAL A 53 -3.997 -0.467 1.739 1.00 0.00 C ATOM 568 C VAL A 53 -5.069 -0.731 2.790 1.00 0.00 C ATOM 569 O VAL A 53 -6.253 -0.837 2.473 1.00 0.00 O ATOM 570 CB VAL A 53 -4.511 0.584 0.736 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.781 1.908 1.438 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.515 0.768 -0.399 1.00 0.00 C ATOM 0 H VAL A 53 -4.225 -1.962 0.287 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.103 -0.076 2.225 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.450 0.227 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.143 2.637 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.534 1.762 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.860 2.274 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.894 1.514 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.560 1.102 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.377 -0.180 -0.919 1.00 0.00 H new ATOM 582 N LYS A 54 -4.639 -0.841 4.042 1.00 0.00 N ATOM 583 CA LYS A 54 -5.552 -1.101 5.147 1.00 0.00 C ATOM 584 C LYS A 54 -6.615 -0.014 5.247 1.00 0.00 C ATOM 585 O LYS A 54 -7.753 -0.282 5.631 1.00 0.00 O ATOM 586 CB LYS A 54 -4.778 -1.194 6.463 1.00 0.00 C ATOM 587 CG LYS A 54 -5.584 -1.804 7.599 1.00 0.00 C ATOM 588 CD LYS A 54 -4.692 -2.211 8.763 1.00 0.00 C ATOM 589 CE LYS A 54 -4.957 -3.645 9.193 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.824 -3.816 10.667 1.00 0.00 N ATOM 0 H LYS A 54 -3.661 -0.754 4.317 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.050 -2.052 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.879 -1.790 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.452 -0.196 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.328 -1.086 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.127 -2.676 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.646 -2.103 8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.862 -1.540 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.960 -3.938 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.259 -4.311 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.012 -4.807 10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.859 -3.561 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.507 -3.199 11.151 1.00 0.00 H new ATOM 604 N ASN A 55 -6.242 1.216 4.900 1.00 0.00 N ATOM 605 CA ASN A 55 -7.182 2.336 4.959 1.00 0.00 C ATOM 606 C ASN A 55 -6.513 3.660 4.611 1.00 0.00 C ATOM 607 O ASN A 55 -5.325 3.859 4.873 1.00 0.00 O ATOM 608 CB ASN A 55 -7.813 2.431 6.351 1.00 0.00 C ATOM 609 CG ASN A 55 -6.788 2.305 7.462 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.990 3.349 7.649 1.00 0.00 O flip ATOM 611 ND2 ASN A 55 -6.716 1.283 8.144 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.306 1.462 4.578 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.957 2.144 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.333 3.384 6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.562 1.647 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.350 0.505 7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.022 1.214 8.888 1.00 0.00 H new ATOM 618 N ILE A 56 -7.293 4.567 4.031 1.00 0.00 N ATOM 619 CA ILE A 56 -6.796 5.883 3.657 1.00 0.00 C ATOM 620 C ILE A 56 -7.079 6.893 4.762 1.00 0.00 C ATOM 621 O ILE A 56 -8.220 7.309 4.963 1.00 0.00 O ATOM 622 CB ILE A 56 -7.433 6.378 2.340 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.192 5.365 1.220 1.00 0.00 C ATOM 624 CG2 ILE A 56 -6.872 7.740 1.955 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.732 5.007 1.027 1.00 0.00 C ATOM 0 H ILE A 56 -8.276 4.412 3.810 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.720 5.792 3.509 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.508 6.479 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.754 4.457 1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.585 5.768 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.332 8.073 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.089 8.459 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.793 7.664 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.639 4.284 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.167 5.905 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.339 4.573 1.947 1.00 0.00 H new ATOM 637 N LEU A 57 -6.034 7.273 5.485 1.00 0.00 N ATOM 638 CA LEU A 57 -6.164 8.224 6.582 1.00 0.00 C ATOM 639 C LEU A 57 -6.766 9.543 6.100 1.00 0.00 C ATOM 640 O LEU A 57 -6.672 9.884 4.922 1.00 0.00 O ATOM 641 CB LEU A 57 -4.806 8.451 7.238 1.00 0.00 C ATOM 642 CG LEU A 57 -4.006 7.172 7.489 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.748 7.469 8.287 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.863 6.134 8.201 1.00 0.00 C ATOM 0 H LEU A 57 -5.084 6.936 5.331 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.845 7.806 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.217 9.116 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.956 8.964 8.188 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.706 6.764 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.196 6.544 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.123 8.170 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.021 7.906 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.276 5.232 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.198 6.534 9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.729 5.893 7.585 1.00 0.00 H new ATOM 656 N PRO A 58 -7.414 10.292 7.011 1.00 0.00 N ATOM 657 CA PRO A 58 -8.059 11.566 6.677 1.00 0.00 C ATOM 658 C PRO A 58 -7.102 12.757 6.660 1.00 0.00 C ATOM 659 O PRO A 58 -7.541 13.905 6.701 1.00 0.00 O ATOM 660 CB PRO A 58 -9.078 11.724 7.801 1.00 0.00 C ATOM 661 CG PRO A 58 -8.441 11.068 8.977 1.00 0.00 C ATOM 662 CD PRO A 58 -7.593 9.943 8.433 1.00 0.00 C ATOM 0 HA PRO A 58 -8.479 11.551 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.290 12.775 7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.026 11.250 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.831 11.779 9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.196 10.687 9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.637 9.876 8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.087 8.978 8.549 1.00 0.00 H new ATOM 670 N ARG A 59 -5.801 12.490 6.598 1.00 0.00 N ATOM 671 CA ARG A 59 -4.811 13.560 6.574 1.00 0.00 C ATOM 672 C ARG A 59 -3.590 13.165 5.753 1.00 0.00 C ATOM 673 O ARG A 59 -2.614 12.636 6.286 1.00 0.00 O ATOM 674 CB ARG A 59 -4.381 13.917 7.999 1.00 0.00 C ATOM 675 CG ARG A 59 -5.350 14.842 8.717 1.00 0.00 C ATOM 676 CD ARG A 59 -4.802 16.256 8.822 1.00 0.00 C ATOM 677 NE ARG A 59 -3.790 16.374 9.869 1.00 0.00 N ATOM 678 CZ ARG A 59 -2.971 17.417 9.994 1.00 0.00 C ATOM 679 NH1 ARG A 59 -3.040 18.431 9.139 1.00 0.00 N ATOM 680 NH2 ARG A 59 -2.080 17.447 10.975 1.00 0.00 N ATOM 0 H ARG A 59 -5.410 11.548 6.564 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.273 14.430 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.273 12.999 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.399 14.390 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.301 14.858 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.551 14.454 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.370 16.549 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.619 16.947 9.028 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.706 15.613 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.723 18.414 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.410 19.227 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.021 16.671 11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.453 18.246 11.070 1.00 0.00 H new ATOM 694 N GLY A 60 -3.647 13.434 4.454 1.00 0.00 N ATOM 695 CA GLY A 60 -2.533 13.106 3.583 1.00 0.00 C ATOM 696 C GLY A 60 -2.759 13.544 2.151 1.00 0.00 C ATOM 697 O GLY A 60 -3.794 14.126 1.826 1.00 0.00 O ATOM 0 H GLY A 60 -4.442 13.872 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.628 13.579 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.364 12.029 3.607 1.00 0.00 H new ATOM 701 N ALA A 61 -1.782 13.266 1.294 1.00 0.00 N ATOM 702 CA ALA A 61 -1.866 13.638 -0.113 1.00 0.00 C ATOM 703 C ALA A 61 -2.806 12.719 -0.887 1.00 0.00 C ATOM 704 O ALA A 61 -3.480 13.154 -1.820 1.00 0.00 O ATOM 705 CB ALA A 61 -0.481 13.628 -0.742 1.00 0.00 C ATOM 0 H ALA A 61 -0.921 12.783 1.551 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.277 14.646 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.557 13.907 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.160 14.340 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.052 12.629 -0.662 1.00 0.00 H new ATOM 711 N ALA A 62 -2.840 11.447 -0.507 1.00 0.00 N ATOM 712 CA ALA A 62 -3.694 10.478 -1.184 1.00 0.00 C ATOM 713 C ALA A 62 -5.161 10.887 -1.122 1.00 0.00 C ATOM 714 O ALA A 62 -5.828 10.988 -2.153 1.00 0.00 O ATOM 715 CB ALA A 62 -3.504 9.090 -0.588 1.00 0.00 C ATOM 0 H ALA A 62 -2.290 11.064 0.262 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.399 10.453 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.149 8.380 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.464 8.785 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.763 9.110 0.471 1.00 0.00 H new ATOM 721 N ILE A 63 -5.665 11.110 0.086 1.00 0.00 N ATOM 722 CA ILE A 63 -7.053 11.493 0.270 1.00 0.00 C ATOM 723 C ILE A 63 -7.395 12.783 -0.475 1.00 0.00 C ATOM 724 O ILE A 63 -8.457 12.885 -1.090 1.00 0.00 O ATOM 725 CB ILE A 63 -7.397 11.630 1.763 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.851 11.237 1.976 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.127 13.040 2.282 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.221 11.088 3.428 1.00 0.00 C ATOM 0 H ILE A 63 -5.130 11.031 0.951 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.660 10.694 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.752 10.961 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.494 11.990 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.045 10.297 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.383 13.094 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.072 13.280 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.733 13.755 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.271 10.807 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.602 10.315 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.058 12.034 3.944 1.00 0.00 H new ATOM 740 N GLN A 64 -6.497 13.764 -0.427 1.00 0.00 N ATOM 741 CA GLN A 64 -6.733 15.028 -1.110 1.00 0.00 C ATOM 742 C GLN A 64 -6.629 14.848 -2.621 1.00 0.00 C ATOM 743 O GLN A 64 -7.348 15.492 -3.385 1.00 0.00 O ATOM 744 CB GLN A 64 -5.743 16.093 -0.638 1.00 0.00 C ATOM 745 CG GLN A 64 -4.300 15.770 -0.977 1.00 0.00 C ATOM 746 CD GLN A 64 -3.338 16.853 -0.529 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.051 16.990 0.660 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.835 17.628 -1.482 1.00 0.00 N ATOM 0 H GLN A 64 -5.609 13.707 0.072 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.742 15.361 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.008 17.050 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.837 16.212 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.023 14.826 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.207 15.629 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.101 17.478 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.182 18.374 -1.241 1.00 0.00 H new ATOM 757 N ASP A 65 -5.733 13.960 -3.044 1.00 0.00 N ATOM 758 CA ASP A 65 -5.541 13.688 -4.464 1.00 0.00 C ATOM 759 C ASP A 65 -6.729 12.918 -5.032 1.00 0.00 C ATOM 760 O ASP A 65 -7.103 13.101 -6.189 1.00 0.00 O ATOM 761 CB ASP A 65 -4.251 12.896 -4.683 1.00 0.00 C ATOM 762 CG ASP A 65 -3.056 13.797 -4.929 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.741 14.621 -4.044 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.433 13.676 -6.006 1.00 0.00 O ATOM 0 H ASP A 65 -5.130 13.418 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.465 14.642 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.059 12.271 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.379 12.226 -5.533 1.00 0.00 H new ATOM 769 N GLY A 66 -7.313 12.053 -4.207 1.00 0.00 N ATOM 770 CA GLY A 66 -8.450 11.266 -4.643 1.00 0.00 C ATOM 771 C GLY A 66 -8.115 10.364 -5.813 1.00 0.00 C ATOM 772 O GLY A 66 -8.728 10.463 -6.878 1.00 0.00 O ATOM 0 H GLY A 66 -7.018 11.884 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.809 10.659 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.264 11.934 -4.924 1.00 0.00 H new ATOM 776 N ARG A 67 -7.137 9.485 -5.620 1.00 0.00 N ATOM 777 CA ARG A 67 -6.721 8.565 -6.672 1.00 0.00 C ATOM 778 C ARG A 67 -6.578 7.145 -6.137 1.00 0.00 C ATOM 779 O ARG A 67 -7.045 6.188 -6.756 1.00 0.00 O ATOM 780 CB ARG A 67 -5.397 9.024 -7.284 1.00 0.00 C ATOM 781 CG ARG A 67 -5.462 10.408 -7.909 1.00 0.00 C ATOM 782 CD ARG A 67 -4.421 10.574 -9.005 1.00 0.00 C ATOM 783 NE ARG A 67 -4.629 11.798 -9.776 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.695 12.360 -10.539 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.489 11.813 -10.638 1.00 0.00 N ATOM 786 NH2 ARG A 67 -3.966 13.473 -11.208 1.00 0.00 N ATOM 0 H ARG A 67 -6.619 9.391 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.493 8.566 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.628 9.019 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.089 8.306 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.457 10.575 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.305 11.164 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.426 10.590 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.458 9.714 -9.673 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.543 12.248 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.274 10.957 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.778 12.249 -11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.891 13.898 -11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.250 13.904 -11.793 1.00 0.00 H new ATOM 800 N LEU A 68 -5.929 7.015 -4.987 1.00 0.00 N ATOM 801 CA LEU A 68 -5.721 5.710 -4.372 1.00 0.00 C ATOM 802 C LEU A 68 -6.587 5.554 -3.123 1.00 0.00 C ATOM 803 O LEU A 68 -6.488 6.344 -2.183 1.00 0.00 O ATOM 804 CB LEU A 68 -4.231 5.522 -4.045 1.00 0.00 C ATOM 805 CG LEU A 68 -3.904 5.074 -2.617 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.405 3.658 -2.374 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.407 5.163 -2.362 1.00 0.00 C ATOM 0 H LEU A 68 -5.538 7.797 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.022 4.934 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.818 4.788 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.717 6.464 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.412 5.741 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.164 3.357 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.485 3.625 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.925 2.977 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.192 4.841 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.879 4.519 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.076 6.193 -2.495 1.00 0.00 H new ATOM 819 N LYS A 69 -7.436 4.532 -3.124 1.00 0.00 N ATOM 820 CA LYS A 69 -8.322 4.271 -1.996 1.00 0.00 C ATOM 821 C LYS A 69 -7.887 3.023 -1.233 1.00 0.00 C ATOM 822 O LYS A 69 -6.808 2.481 -1.474 1.00 0.00 O ATOM 823 CB LYS A 69 -9.755 4.111 -2.483 1.00 0.00 C ATOM 824 CG LYS A 69 -10.425 5.430 -2.819 1.00 0.00 C ATOM 825 CD LYS A 69 -11.691 5.203 -3.612 1.00 0.00 C ATOM 826 CE LYS A 69 -12.250 6.506 -4.162 1.00 0.00 C ATOM 827 NZ LYS A 69 -12.712 6.361 -5.571 1.00 0.00 N ATOM 0 H LYS A 69 -7.529 3.870 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.266 5.122 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.762 3.472 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.337 3.601 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.658 5.969 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.740 6.056 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.487 4.518 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.438 4.726 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.082 6.836 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.485 7.281 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.086 7.271 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.913 6.071 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.460 5.640 -5.619 1.00 0.00 H new ATOM 841 N ALA A 70 -8.735 2.570 -0.314 1.00 0.00 N ATOM 842 CA ALA A 70 -8.439 1.383 0.481 1.00 0.00 C ATOM 843 C ALA A 70 -8.788 0.111 -0.283 1.00 0.00 C ATOM 844 O ALA A 70 -9.483 0.155 -1.297 1.00 0.00 O ATOM 845 CB ALA A 70 -9.192 1.432 1.801 1.00 0.00 C ATOM 0 H ALA A 70 -9.632 3.007 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.369 1.370 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.962 0.540 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.891 2.318 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.264 1.472 1.607 1.00 0.00 H new ATOM 851 N GLY A 71 -8.300 -1.024 0.209 1.00 0.00 N ATOM 852 CA GLY A 71 -8.571 -2.290 -0.444 1.00 0.00 C ATOM 853 C GLY A 71 -7.758 -2.475 -1.711 1.00 0.00 C ATOM 854 O GLY A 71 -8.080 -3.322 -2.543 1.00 0.00 O ATOM 0 H GLY A 71 -7.723 -1.088 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.353 -3.105 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.632 -2.351 -0.685 1.00 0.00 H new ATOM 858 N ASP A 72 -6.702 -1.681 -1.857 1.00 0.00 N ATOM 859 CA ASP A 72 -5.841 -1.760 -3.028 1.00 0.00 C ATOM 860 C ASP A 72 -4.555 -2.514 -2.704 1.00 0.00 C ATOM 861 O ASP A 72 -4.048 -2.442 -1.585 1.00 0.00 O ATOM 862 CB ASP A 72 -5.512 -0.355 -3.540 1.00 0.00 C ATOM 863 CG ASP A 72 -6.335 0.025 -4.753 1.00 0.00 C ATOM 864 OD1 ASP A 72 -7.580 0.046 -4.644 1.00 0.00 O ATOM 865 OD2 ASP A 72 -5.736 0.297 -5.815 1.00 0.00 O ATOM 0 H ASP A 72 -6.423 -0.974 -1.176 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.373 -2.305 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.687 0.369 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.453 -0.302 -3.792 1.00 0.00 H new ATOM 870 N ARG A 73 -4.033 -3.234 -3.689 1.00 0.00 N ATOM 871 CA ARG A 73 -2.806 -4.000 -3.507 1.00 0.00 C ATOM 872 C ARG A 73 -1.604 -3.247 -4.067 1.00 0.00 C ATOM 873 O ARG A 73 -1.621 -2.791 -5.211 1.00 0.00 O ATOM 874 CB ARG A 73 -2.926 -5.366 -4.184 1.00 0.00 C ATOM 875 CG ARG A 73 -2.109 -6.455 -3.507 1.00 0.00 C ATOM 876 CD ARG A 73 -0.765 -6.651 -4.191 1.00 0.00 C ATOM 877 NE ARG A 73 -0.438 -8.064 -4.359 1.00 0.00 N ATOM 878 CZ ARG A 73 0.771 -8.510 -4.691 1.00 0.00 C ATOM 879 NH1 ARG A 73 1.770 -7.658 -4.890 1.00 0.00 N ATOM 880 NH2 ARG A 73 0.985 -9.813 -4.826 1.00 0.00 N ATOM 0 H ARG A 73 -4.440 -3.304 -4.622 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.655 -4.144 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.974 -5.665 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.607 -5.277 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.951 -6.195 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.666 -7.392 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.780 -6.164 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.015 -6.166 -3.604 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.179 -8.749 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.613 -6.655 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.694 -8.006 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.222 -10.473 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.912 -10.154 -5.081 1.00 0.00 H new ATOM 894 N LEU A 74 -0.558 -3.121 -3.253 1.00 0.00 N ATOM 895 CA LEU A 74 0.655 -2.427 -3.667 1.00 0.00 C ATOM 896 C LEU A 74 1.509 -3.324 -4.553 1.00 0.00 C ATOM 897 O LEU A 74 2.118 -4.286 -4.082 1.00 0.00 O ATOM 898 CB LEU A 74 1.451 -1.978 -2.442 1.00 0.00 C ATOM 899 CG LEU A 74 1.198 -0.533 -2.004 1.00 0.00 C ATOM 900 CD1 LEU A 74 1.035 -0.450 -0.494 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.322 0.379 -2.476 1.00 0.00 C ATOM 0 H LEU A 74 -0.528 -3.491 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 74 0.370 -1.546 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.215 -2.641 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.514 -2.098 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 74 0.270 -0.195 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.856 0.585 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.190 -1.065 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.942 -0.811 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.121 1.401 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.267 0.043 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.384 0.347 -3.564 1.00 0.00 H new ATOM 913 N ILE A 75 1.542 -3.005 -5.840 1.00 0.00 N ATOM 914 CA ILE A 75 2.310 -3.778 -6.804 1.00 0.00 C ATOM 915 C ILE A 75 3.713 -3.209 -6.985 1.00 0.00 C ATOM 916 O ILE A 75 4.649 -3.939 -7.309 1.00 0.00 O ATOM 917 CB ILE A 75 1.601 -3.819 -8.168 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.195 -4.402 -7.997 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.419 -4.630 -9.167 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.391 -4.980 -9.266 1.00 0.00 C ATOM 0 H ILE A 75 1.042 -2.211 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 75 2.389 -4.791 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 75 1.510 -2.806 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.226 -5.182 -7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.468 -3.621 -7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.904 -4.650 -10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.400 -4.172 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.538 -5.649 -8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.387 -5.372 -9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.457 -4.200 -10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.248 -5.785 -9.628 1.00 0.00 H new ATOM 932 N GLU A 76 3.856 -1.902 -6.782 1.00 0.00 N ATOM 933 CA GLU A 76 5.155 -1.254 -6.936 1.00 0.00 C ATOM 934 C GLU A 76 5.181 0.126 -6.284 1.00 0.00 C ATOM 935 O GLU A 76 4.169 0.827 -6.242 1.00 0.00 O ATOM 936 CB GLU A 76 5.509 -1.131 -8.419 1.00 0.00 C ATOM 937 CG GLU A 76 6.136 -2.386 -9.003 1.00 0.00 C ATOM 938 CD GLU A 76 7.041 -2.091 -10.183 1.00 0.00 C ATOM 939 OE1 GLU A 76 7.806 -1.106 -10.112 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.986 -2.846 -11.176 1.00 0.00 O ATOM 0 H GLU A 76 3.097 -1.276 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 76 5.894 -1.877 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.606 -0.892 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.197 -0.296 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.709 -2.895 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.347 -3.069 -9.317 1.00 0.00 H new ATOM 947 N VAL A 77 6.353 0.508 -5.787 1.00 0.00 N ATOM 948 CA VAL A 77 6.539 1.804 -5.144 1.00 0.00 C ATOM 949 C VAL A 77 7.850 2.438 -5.602 1.00 0.00 C ATOM 950 O VAL A 77 8.913 1.828 -5.495 1.00 0.00 O ATOM 951 CB VAL A 77 6.546 1.680 -3.606 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.766 3.038 -2.954 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.251 1.050 -3.110 1.00 0.00 C ATOM 0 H VAL A 77 7.195 -0.067 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 77 5.700 2.435 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 77 7.373 1.029 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.767 2.925 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.724 3.446 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.965 3.717 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.277 0.972 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.406 1.671 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.141 0.056 -3.543 1.00 0.00 H new ATOM 963 N ASN A 78 7.769 3.660 -6.119 1.00 0.00 N ATOM 964 CA ASN A 78 8.953 4.364 -6.597 1.00 0.00 C ATOM 965 C ASN A 78 9.665 3.547 -7.672 1.00 0.00 C ATOM 966 O ASN A 78 10.884 3.623 -7.821 1.00 0.00 O ATOM 967 CB ASN A 78 9.906 4.653 -5.434 1.00 0.00 C ATOM 968 CG ASN A 78 9.938 6.122 -5.063 1.00 0.00 C ATOM 969 OD1 ASN A 78 8.764 6.733 -4.958 1.00 0.00 O flip ATOM 970 ND2 ASN A 78 11.006 6.703 -4.873 1.00 0.00 N flip ATOM 0 H ASN A 78 6.898 4.182 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 78 8.637 5.311 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.602 4.069 -4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.911 4.327 -5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.886 6.195 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.011 7.692 -4.624 1.00 0.00 H new ATOM 977 N GLY A 79 8.890 2.765 -8.420 1.00 0.00 N ATOM 978 CA GLY A 79 9.457 1.942 -9.472 1.00 0.00 C ATOM 979 C GLY A 79 10.113 0.680 -8.939 1.00 0.00 C ATOM 980 O GLY A 79 10.918 0.054 -9.630 1.00 0.00 O ATOM 0 H GLY A 79 7.878 2.688 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.672 1.669 -10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.194 2.524 -10.026 1.00 0.00 H new ATOM 984 N VAL A 80 9.770 0.305 -7.710 1.00 0.00 N ATOM 985 CA VAL A 80 10.336 -0.888 -7.090 1.00 0.00 C ATOM 986 C VAL A 80 9.303 -2.005 -6.991 1.00 0.00 C ATOM 987 O VAL A 80 8.107 -1.753 -6.843 1.00 0.00 O ATOM 988 CB VAL A 80 10.884 -0.587 -5.681 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.428 -1.852 -5.033 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.956 0.488 -5.748 1.00 0.00 C ATOM 0 H VAL A 80 9.104 0.809 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 80 11.157 -1.212 -7.730 1.00 0.00 H new ATOM 0 HB VAL A 80 10.065 -0.217 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.810 -1.617 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.630 -2.590 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.234 -2.256 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.333 0.689 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.775 0.147 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.531 1.401 -6.165 1.00 0.00 H new ATOM 1000 N ASP A 81 9.781 -3.243 -7.056 1.00 0.00 N ATOM 1001 CA ASP A 81 8.912 -4.407 -6.960 1.00 0.00 C ATOM 1002 C ASP A 81 8.706 -4.796 -5.501 1.00 0.00 C ATOM 1003 O ASP A 81 9.649 -5.189 -4.814 1.00 0.00 O ATOM 1004 CB ASP A 81 9.507 -5.583 -7.737 1.00 0.00 C ATOM 1005 CG ASP A 81 9.014 -5.639 -9.169 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.917 -6.190 -9.399 1.00 0.00 O ATOM 1007 OD2 ASP A 81 9.726 -5.133 -10.063 1.00 0.00 O ATOM 0 H ASP A 81 10.769 -3.465 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 81 7.946 -4.152 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.594 -5.505 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.253 -6.515 -7.232 1.00 0.00 H new ATOM 1012 N LEU A 82 7.467 -4.684 -5.033 1.00 0.00 N ATOM 1013 CA LEU A 82 7.142 -5.024 -3.652 1.00 0.00 C ATOM 1014 C LEU A 82 6.808 -6.508 -3.512 1.00 0.00 C ATOM 1015 O LEU A 82 6.158 -6.917 -2.552 1.00 0.00 O ATOM 1016 CB LEU A 82 5.965 -4.182 -3.161 1.00 0.00 C ATOM 1017 CG LEU A 82 6.141 -2.671 -3.316 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.796 -1.999 -3.532 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.840 -2.088 -2.097 1.00 0.00 C ATOM 0 H LEU A 82 6.674 -4.362 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 82 8.019 -4.809 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.070 -4.486 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.792 -4.406 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 82 6.764 -2.484 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.940 -0.924 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.332 -2.396 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.150 -2.194 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.957 -1.012 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.243 -2.285 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.821 -2.549 -1.985 1.00 0.00 H new ATOM 1031 N ALA A 83 7.262 -7.312 -4.472 1.00 0.00 N ATOM 1032 CA ALA A 83 7.010 -8.747 -4.442 1.00 0.00 C ATOM 1033 C ALA A 83 8.196 -9.497 -3.846 1.00 0.00 C ATOM 1034 O ALA A 83 8.537 -10.595 -4.287 1.00 0.00 O ATOM 1035 CB ALA A 83 6.705 -9.261 -5.840 1.00 0.00 C ATOM 0 H ALA A 83 7.804 -6.994 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 83 6.142 -8.926 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.519 -10.334 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.822 -8.754 -6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.555 -9.064 -6.494 1.00 0.00 H new ATOM 1041 N GLY A 84 8.823 -8.892 -2.843 1.00 0.00 N ATOM 1042 CA GLY A 84 9.967 -9.507 -2.198 1.00 0.00 C ATOM 1043 C GLY A 84 10.592 -8.599 -1.158 1.00 0.00 C ATOM 1044 O GLY A 84 11.815 -8.535 -1.031 1.00 0.00 O ATOM 0 H GLY A 84 8.558 -7.983 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.658 -10.440 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.713 -9.763 -2.951 1.00 0.00 H new ATOM 1048 N LYS A 85 9.747 -7.891 -0.414 1.00 0.00 N ATOM 1049 CA LYS A 85 10.218 -6.976 0.618 1.00 0.00 C ATOM 1050 C LYS A 85 9.569 -7.296 1.969 1.00 0.00 C ATOM 1051 O LYS A 85 9.835 -8.345 2.554 1.00 0.00 O ATOM 1052 CB LYS A 85 9.940 -5.529 0.198 1.00 0.00 C ATOM 1053 CG LYS A 85 10.634 -5.130 -1.095 1.00 0.00 C ATOM 1054 CD LYS A 85 11.135 -3.697 -1.040 1.00 0.00 C ATOM 1055 CE LYS A 85 12.074 -3.394 -2.196 1.00 0.00 C ATOM 1056 NZ LYS A 85 12.721 -2.061 -2.052 1.00 0.00 N ATOM 0 H LYS A 85 8.732 -7.934 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 85 11.294 -7.101 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.865 -5.393 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.261 -4.859 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.471 -5.802 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.942 -5.243 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.287 -3.012 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.651 -3.526 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.842 -4.166 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.519 -3.428 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.366 -1.900 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.991 -1.320 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.258 -2.030 -1.162 1.00 0.00 H new ATOM 1070 N SER A 86 8.722 -6.393 2.467 1.00 0.00 N ATOM 1071 CA SER A 86 8.048 -6.594 3.745 1.00 0.00 C ATOM 1072 C SER A 86 7.244 -5.357 4.122 1.00 0.00 C ATOM 1073 O SER A 86 7.271 -4.351 3.417 1.00 0.00 O ATOM 1074 CB SER A 86 9.066 -6.908 4.845 1.00 0.00 C ATOM 1075 OG SER A 86 9.233 -8.307 5.001 1.00 0.00 O ATOM 0 H SER A 86 8.488 -5.516 2.002 1.00 0.00 H new ATOM 0 HA SER A 86 7.368 -7.440 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.024 -6.449 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.735 -6.471 5.787 1.00 0.00 H new ATOM 0 HG SER A 86 9.634 -8.681 4.189 1.00 0.00 H new ATOM 1081 N GLN A 87 6.535 -5.429 5.242 1.00 0.00 N ATOM 1082 CA GLN A 87 5.735 -4.304 5.707 1.00 0.00 C ATOM 1083 C GLN A 87 6.644 -3.171 6.145 1.00 0.00 C ATOM 1084 O GLN A 87 6.534 -2.050 5.658 1.00 0.00 O ATOM 1085 CB GLN A 87 4.824 -4.731 6.861 1.00 0.00 C ATOM 1086 CG GLN A 87 4.047 -3.581 7.485 1.00 0.00 C ATOM 1087 CD GLN A 87 2.706 -4.013 8.039 1.00 0.00 C ATOM 1088 OE1 GLN A 87 2.634 -4.713 9.047 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.632 -3.597 7.379 1.00 0.00 N ATOM 0 H GLN A 87 6.498 -6.252 5.843 1.00 0.00 H new ATOM 0 HA GLN A 87 5.107 -3.958 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.119 -5.479 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.429 -5.210 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.641 -3.139 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.893 -2.804 6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.738 -3.017 6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.701 -3.857 7.704 1.00 0.00 H new ATOM 1098 N GLU A 88 7.558 -3.481 7.052 1.00 0.00 N ATOM 1099 CA GLU A 88 8.506 -2.491 7.536 1.00 0.00 C ATOM 1100 C GLU A 88 9.387 -2.022 6.389 1.00 0.00 C ATOM 1101 O GLU A 88 9.833 -0.876 6.357 1.00 0.00 O ATOM 1102 CB GLU A 88 9.362 -3.069 8.663 1.00 0.00 C ATOM 1103 CG GLU A 88 9.694 -2.064 9.754 1.00 0.00 C ATOM 1104 CD GLU A 88 8.559 -1.886 10.745 1.00 0.00 C ATOM 1105 OE1 GLU A 88 7.888 -2.890 11.065 1.00 0.00 O ATOM 1106 OE2 GLU A 88 8.343 -0.745 11.201 1.00 0.00 O ATOM 0 H GLU A 88 7.663 -4.407 7.466 1.00 0.00 H new ATOM 0 HA GLU A 88 7.953 -1.640 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.838 -3.915 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.290 -3.454 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.588 -2.391 10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.928 -1.102 9.298 1.00 0.00 H new ATOM 1113 N GLU A 89 9.620 -2.920 5.433 1.00 0.00 N ATOM 1114 CA GLU A 89 10.431 -2.593 4.271 1.00 0.00 C ATOM 1115 C GLU A 89 9.672 -1.635 3.365 1.00 0.00 C ATOM 1116 O GLU A 89 10.183 -0.581 2.981 1.00 0.00 O ATOM 1117 CB GLU A 89 10.802 -3.863 3.502 1.00 0.00 C ATOM 1118 CG GLU A 89 11.793 -4.751 4.235 1.00 0.00 C ATOM 1119 CD GLU A 89 13.202 -4.194 4.209 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.444 -3.159 4.864 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.065 -4.794 3.533 1.00 0.00 O ATOM 0 H GLU A 89 9.259 -3.874 5.443 1.00 0.00 H new ATOM 0 HA GLU A 89 11.350 -2.113 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.895 -4.434 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.223 -3.583 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.472 -4.871 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.790 -5.743 3.784 1.00 0.00 H new ATOM 1128 N VAL A 90 8.439 -2.007 3.044 1.00 0.00 N ATOM 1129 CA VAL A 90 7.584 -1.188 2.199 1.00 0.00 C ATOM 1130 C VAL A 90 7.335 0.170 2.849 1.00 0.00 C ATOM 1131 O VAL A 90 7.429 1.213 2.197 1.00 0.00 O ATOM 1132 CB VAL A 90 6.238 -1.896 1.921 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.271 -0.968 1.201 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.467 -3.167 1.111 1.00 0.00 C ATOM 0 H VAL A 90 8.008 -2.876 3.359 1.00 0.00 H new ATOM 0 HA VAL A 90 8.096 -1.037 1.249 1.00 0.00 H new ATOM 0 HB VAL A 90 5.791 -2.168 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.333 -1.491 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.082 -0.090 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.705 -0.657 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.511 -3.655 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.938 -2.913 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.116 -3.842 1.669 1.00 0.00 H new ATOM 1144 N VAL A 91 7.037 0.150 4.142 1.00 0.00 N ATOM 1145 CA VAL A 91 6.800 1.379 4.885 1.00 0.00 C ATOM 1146 C VAL A 91 8.051 2.244 4.866 1.00 0.00 C ATOM 1147 O VAL A 91 7.972 3.473 4.850 1.00 0.00 O ATOM 1148 CB VAL A 91 6.389 1.093 6.344 1.00 0.00 C ATOM 1149 CG1 VAL A 91 6.091 2.389 7.086 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.186 0.161 6.387 1.00 0.00 C ATOM 0 H VAL A 91 6.954 -0.702 4.696 1.00 0.00 H new ATOM 0 HA VAL A 91 5.978 1.906 4.401 1.00 0.00 H new ATOM 0 HB VAL A 91 7.224 0.601 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.803 2.163 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.980 3.019 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.276 2.914 6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.910 -0.030 7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.347 0.625 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.438 -0.781 5.900 1.00 0.00 H new ATOM 1160 N SER A 92 9.210 1.590 4.851 1.00 0.00 N ATOM 1161 CA SER A 92 10.484 2.290 4.813 1.00 0.00 C ATOM 1162 C SER A 92 10.626 3.053 3.502 1.00 0.00 C ATOM 1163 O SER A 92 11.149 4.166 3.471 1.00 0.00 O ATOM 1164 CB SER A 92 11.642 1.304 4.975 1.00 0.00 C ATOM 1165 OG SER A 92 12.879 1.984 5.098 1.00 0.00 O ATOM 0 H SER A 92 9.289 0.573 4.865 1.00 0.00 H new ATOM 0 HA SER A 92 10.513 3.000 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.475 0.684 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.676 0.634 4.116 1.00 0.00 H new ATOM 0 HG SER A 92 13.602 1.331 5.202 1.00 0.00 H new ATOM 1171 N LEU A 93 10.142 2.447 2.419 1.00 0.00 N ATOM 1172 CA LEU A 93 10.204 3.080 1.104 1.00 0.00 C ATOM 1173 C LEU A 93 9.424 4.384 1.120 1.00 0.00 C ATOM 1174 O LEU A 93 9.939 5.438 0.742 1.00 0.00 O ATOM 1175 CB LEU A 93 9.642 2.162 0.017 1.00 0.00 C ATOM 1176 CG LEU A 93 9.915 0.675 0.218 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.240 -0.145 -0.869 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.412 0.406 0.243 1.00 0.00 C ATOM 0 H LEU A 93 9.706 1.525 2.426 1.00 0.00 H new ATOM 0 HA LEU A 93 11.251 3.279 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.564 2.312 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.059 2.465 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 93 9.497 0.376 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.447 -1.203 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.164 0.023 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.625 0.156 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.588 -0.660 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.854 0.722 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.868 0.963 1.061 1.00 0.00 H new ATOM 1190 N LEU A 94 8.178 4.305 1.573 1.00 0.00 N ATOM 1191 CA LEU A 94 7.325 5.490 1.653 1.00 0.00 C ATOM 1192 C LEU A 94 7.908 6.477 2.654 1.00 0.00 C ATOM 1193 O LEU A 94 7.977 7.677 2.397 1.00 0.00 O ATOM 1194 CB LEU A 94 5.883 5.134 2.055 1.00 0.00 C ATOM 1195 CG LEU A 94 5.545 3.644 2.095 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.140 3.434 2.635 1.00 0.00 C ATOM 1197 CD2 LEU A 94 5.683 3.028 0.710 1.00 0.00 C ATOM 0 H LEU A 94 7.737 3.441 1.889 1.00 0.00 H new ATOM 0 HA LEU A 94 7.291 5.941 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.687 5.557 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.202 5.622 1.358 1.00 0.00 H new ATOM 0 HG LEU A 94 6.249 3.147 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.914 2.368 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.074 3.840 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.423 3.943 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.438 1.967 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.002 3.527 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.708 3.149 0.359 1.00 0.00 H new ATOM 1209 N ARG A 95 8.332 5.955 3.795 1.00 0.00 N ATOM 1210 CA ARG A 95 8.921 6.782 4.840 1.00 0.00 C ATOM 1211 C ARG A 95 10.188 7.466 4.330 1.00 0.00 C ATOM 1212 O ARG A 95 10.528 8.567 4.762 1.00 0.00 O ATOM 1213 CB ARG A 95 9.245 5.938 6.075 1.00 0.00 C ATOM 1214 CG ARG A 95 8.152 5.962 7.132 1.00 0.00 C ATOM 1215 CD ARG A 95 8.644 5.383 8.450 1.00 0.00 C ATOM 1216 NE ARG A 95 7.544 4.895 9.280 1.00 0.00 N ATOM 1217 CZ ARG A 95 6.746 5.686 9.993 1.00 0.00 C ATOM 1218 NH1 ARG A 95 6.920 7.002 9.980 1.00 0.00 N ATOM 1219 NH2 ARG A 95 5.771 5.161 10.723 1.00 0.00 N ATOM 0 H ARG A 95 8.280 4.962 4.022 1.00 0.00 H new ATOM 0 HA ARG A 95 8.196 7.547 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.417 4.907 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.174 6.297 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.815 6.987 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.291 5.393 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.337 4.566 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.199 6.146 8.996 1.00 0.00 H new ATOM 0 HE ARG A 95 7.378 3.889 9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.669 7.412 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.305 7.603 10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.633 4.151 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.160 5.768 11.269 1.00 0.00 H new ATOM 1233 N SER A 96 10.883 6.802 3.409 1.00 0.00 N ATOM 1234 CA SER A 96 12.112 7.344 2.840 1.00 0.00 C ATOM 1235 C SER A 96 11.850 8.668 2.133 1.00 0.00 C ATOM 1236 O SER A 96 12.623 9.617 2.266 1.00 0.00 O ATOM 1237 CB SER A 96 12.734 6.341 1.865 1.00 0.00 C ATOM 1238 OG SER A 96 13.840 5.677 2.452 1.00 0.00 O ATOM 0 H SER A 96 10.615 5.889 3.042 1.00 0.00 H new ATOM 0 HA SER A 96 12.811 7.525 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.984 5.609 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.055 6.859 0.961 1.00 0.00 H new ATOM 0 HG SER A 96 14.218 5.041 1.810 1.00 0.00 H new ATOM 1244 N THR A 97 10.754 8.730 1.385 1.00 0.00 N ATOM 1245 CA THR A 97 10.393 9.945 0.662 1.00 0.00 C ATOM 1246 C THR A 97 10.238 11.115 1.628 1.00 0.00 C ATOM 1247 O THR A 97 9.532 11.015 2.632 1.00 0.00 O ATOM 1248 CB THR A 97 9.094 9.738 -0.127 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.508 8.487 0.185 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.289 9.785 -1.627 1.00 0.00 C ATOM 0 H THR A 97 10.101 7.956 1.263 1.00 0.00 H new ATOM 0 HA THR A 97 11.194 10.174 -0.040 1.00 0.00 H new ATOM 0 HB THR A 97 8.447 10.564 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.212 8.488 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.331 9.631 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.693 10.757 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.984 9.001 -1.928 1.00 0.00 H new ATOM 1258 N LYS A 98 10.905 12.220 1.320 1.00 0.00 N ATOM 1259 CA LYS A 98 10.847 13.408 2.163 1.00 0.00 C ATOM 1260 C LYS A 98 9.949 14.475 1.547 1.00 0.00 C ATOM 1261 O LYS A 98 9.335 14.257 0.503 1.00 0.00 O ATOM 1262 CB LYS A 98 12.251 13.969 2.383 1.00 0.00 C ATOM 1263 CG LYS A 98 12.905 14.471 1.110 1.00 0.00 C ATOM 1264 CD LYS A 98 13.800 13.413 0.484 1.00 0.00 C ATOM 1265 CE LYS A 98 15.272 13.748 0.664 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.144 12.906 -0.201 1.00 0.00 N ATOM 0 H LYS A 98 11.493 12.319 0.492 1.00 0.00 H new ATOM 0 HA LYS A 98 10.423 13.119 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.199 14.786 3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.879 13.195 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.135 14.765 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.493 15.362 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.589 12.444 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.573 13.326 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.436 14.800 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.551 13.606 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.139 13.166 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.007 11.903 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.895 13.060 -1.199 1.00 0.00 H new ATOM 1280 N MET A 99 9.880 15.631 2.199 1.00 0.00 N ATOM 1281 CA MET A 99 9.057 16.737 1.712 1.00 0.00 C ATOM 1282 C MET A 99 9.390 17.053 0.258 1.00 0.00 C ATOM 1283 O MET A 99 10.547 16.970 -0.154 1.00 0.00 O ATOM 1284 CB MET A 99 9.253 17.986 2.579 1.00 0.00 C ATOM 1285 CG MET A 99 10.686 18.197 3.050 1.00 0.00 C ATOM 1286 SD MET A 99 10.843 18.176 4.848 1.00 0.00 S ATOM 1287 CE MET A 99 10.048 16.620 5.249 1.00 0.00 C ATOM 0 H MET A 99 10.382 15.828 3.065 1.00 0.00 H new ATOM 0 HA MET A 99 8.012 16.432 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 99 8.935 18.862 2.013 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.602 17.916 3.450 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.321 17.419 2.626 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.052 19.151 2.669 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.860 16.573 6.322 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.103 16.545 4.711 1.00 0.00 H new ATOM 0 HE3 MET A 99 10.697 15.794 4.958 1.00 0.00 H new ATOM 1297 N GLU A 100 8.369 17.399 -0.518 1.00 0.00 N ATOM 1298 CA GLU A 100 8.562 17.707 -1.930 1.00 0.00 C ATOM 1299 C GLU A 100 9.143 16.499 -2.654 1.00 0.00 C ATOM 1300 O GLU A 100 10.332 16.462 -2.975 1.00 0.00 O ATOM 1301 CB GLU A 100 9.486 18.917 -2.091 1.00 0.00 C ATOM 1302 CG GLU A 100 9.059 19.864 -3.201 1.00 0.00 C ATOM 1303 CD GLU A 100 10.210 20.697 -3.731 1.00 0.00 C ATOM 1304 OE1 GLU A 100 11.266 20.113 -4.053 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.055 21.932 -3.824 1.00 0.00 O ATOM 0 H GLU A 100 7.404 17.473 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 100 7.595 17.950 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.520 19.466 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.498 18.567 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.626 19.288 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.277 20.526 -2.828 1.00 0.00 H new ATOM 1312 N GLY A 101 8.296 15.505 -2.897 1.00 0.00 N ATOM 1313 CA GLY A 101 8.731 14.302 -3.566 1.00 0.00 C ATOM 1314 C GLY A 101 7.562 13.418 -3.943 1.00 0.00 C ATOM 1315 O GLY A 101 6.964 12.764 -3.088 1.00 0.00 O ATOM 0 H GLY A 101 7.309 15.516 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.291 14.566 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.410 13.750 -2.917 1.00 0.00 H new ATOM 1319 N THR A 102 7.231 13.415 -5.223 1.00 0.00 N ATOM 1320 CA THR A 102 6.121 12.617 -5.725 1.00 0.00 C ATOM 1321 C THR A 102 6.457 11.131 -5.689 1.00 0.00 C ATOM 1322 O THR A 102 7.315 10.656 -6.434 1.00 0.00 O ATOM 1323 CB THR A 102 5.767 13.039 -7.152 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.419 14.412 -7.197 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.615 12.255 -7.743 1.00 0.00 C ATOM 0 H THR A 102 7.716 13.958 -5.937 1.00 0.00 H new ATOM 0 HA THR A 102 5.261 12.790 -5.078 1.00 0.00 H new ATOM 0 HB THR A 102 6.661 12.837 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.198 14.663 -8.118 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.418 12.606 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.871 11.196 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.725 12.398 -7.130 1.00 0.00 H new ATOM 1333 N VAL A 103 5.768 10.403 -4.816 1.00 0.00 N ATOM 1334 CA VAL A 103 5.980 8.968 -4.673 1.00 0.00 C ATOM 1335 C VAL A 103 4.985 8.195 -5.533 1.00 0.00 C ATOM 1336 O VAL A 103 3.784 8.207 -5.266 1.00 0.00 O ATOM 1337 CB VAL A 103 5.829 8.517 -3.206 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.492 7.168 -2.985 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.398 9.561 -2.255 1.00 0.00 C ATOM 0 H VAL A 103 5.055 10.786 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 103 6.998 8.757 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 103 4.765 8.411 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.373 6.870 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.026 6.424 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.553 7.241 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.279 9.220 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.457 9.709 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.866 10.503 -2.388 1.00 0.00 H new ATOM 1349 N SER A 104 5.489 7.529 -6.565 1.00 0.00 N ATOM 1350 CA SER A 104 4.635 6.759 -7.463 1.00 0.00 C ATOM 1351 C SER A 104 4.380 5.366 -6.905 1.00 0.00 C ATOM 1352 O SER A 104 5.294 4.551 -6.801 1.00 0.00 O ATOM 1353 CB SER A 104 5.272 6.660 -8.850 1.00 0.00 C ATOM 1354 OG SER A 104 5.450 7.943 -9.424 1.00 0.00 O ATOM 0 H SER A 104 6.481 7.506 -6.801 1.00 0.00 H new ATOM 0 HA SER A 104 3.680 7.277 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.235 6.155 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.643 6.052 -9.500 1.00 0.00 H new ATOM 0 HG SER A 104 5.860 7.851 -10.309 1.00 0.00 H new ATOM 1360 N LEU A 105 3.130 5.099 -6.542 1.00 0.00 N ATOM 1361 CA LEU A 105 2.759 3.804 -5.985 1.00 0.00 C ATOM 1362 C LEU A 105 1.770 3.073 -6.886 1.00 0.00 C ATOM 1363 O LEU A 105 0.615 3.477 -7.013 1.00 0.00 O ATOM 1364 CB LEU A 105 2.154 3.984 -4.593 1.00 0.00 C ATOM 1365 CG LEU A 105 2.879 4.992 -3.699 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.068 6.270 -3.564 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.157 4.388 -2.328 1.00 0.00 C ATOM 0 H LEU A 105 2.358 5.761 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 105 3.664 3.201 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.116 4.298 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.143 3.017 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 105 3.832 5.239 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.601 6.973 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.922 6.714 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.098 6.041 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.673 5.119 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.215 4.110 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.782 3.502 -2.441 1.00 0.00 H new ATOM 1379 N LEU A 106 2.230 1.987 -7.497 1.00 0.00 N ATOM 1380 CA LEU A 106 1.381 1.189 -8.372 1.00 0.00 C ATOM 1381 C LEU A 106 0.457 0.309 -7.539 1.00 0.00 C ATOM 1382 O LEU A 106 0.911 -0.612 -6.861 1.00 0.00 O ATOM 1383 CB LEU A 106 2.236 0.323 -9.299 1.00 0.00 C ATOM 1384 CG LEU A 106 1.480 -0.323 -10.461 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.408 0.627 -11.647 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.142 -1.633 -10.863 1.00 0.00 C ATOM 0 H LEU A 106 3.184 1.640 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 106 0.778 1.861 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.040 0.937 -9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.703 -0.464 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 106 0.463 -0.538 -10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.866 0.149 -12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.889 1.539 -11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.417 0.874 -11.977 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.592 -2.080 -11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.170 -1.442 -11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.139 -2.317 -10.015 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.837 0.605 -7.580 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.812 -0.156 -6.809 1.00 0.00 C ATOM 1400 C VAL A 107 -2.640 -1.073 -7.703 1.00 0.00 C ATOM 1401 O VAL A 107 -2.558 -1.004 -8.929 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.758 0.779 -6.029 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.964 1.701 -5.118 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.629 1.588 -6.984 1.00 0.00 C ATOM 0 H VAL A 107 -1.234 1.363 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.248 -0.766 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.412 0.164 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.648 2.354 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.391 1.105 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.283 2.306 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.288 2.240 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.994 2.192 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.228 0.911 -7.592 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.437 -1.928 -7.075 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.289 -2.859 -7.804 1.00 0.00 C ATOM 1416 C PHE A 108 -5.714 -2.814 -7.267 1.00 0.00 C ATOM 1417 O PHE A 108 -5.964 -3.159 -6.112 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.735 -4.282 -7.704 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.548 -5.301 -8.451 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.783 -5.710 -7.972 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.076 -5.851 -9.633 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.531 -6.649 -8.658 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.821 -6.789 -10.323 1.00 0.00 C ATOM 1424 CZ PHE A 108 -6.051 -7.187 -9.834 1.00 0.00 C ATOM 0 H PHE A 108 -3.511 -1.996 -6.060 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.302 -2.560 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.715 -4.293 -8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.684 -4.570 -6.654 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.165 -5.291 -7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.115 -5.543 -10.019 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.491 -6.961 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.443 -7.210 -11.243 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.636 -7.918 -10.372 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.647 -2.388 -8.110 1.00 0.00 N ATOM 1435 CA ARG A 109 -8.048 -2.299 -7.715 1.00 0.00 C ATOM 1436 C ARG A 109 -8.834 -3.510 -8.207 1.00 0.00 C ATOM 1437 O ARG A 109 -8.725 -3.902 -9.369 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.675 -1.015 -8.259 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.786 -0.461 -7.382 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.939 1.041 -7.558 1.00 0.00 C ATOM 1441 NE ARG A 109 -8.792 1.775 -7.030 1.00 0.00 N ATOM 1442 CZ ARG A 109 -8.815 3.072 -6.731 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -9.922 3.782 -6.910 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -7.727 3.661 -6.254 1.00 0.00 N ATOM 0 H ARG A 109 -6.460 -2.099 -9.070 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.088 -2.282 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.898 -0.259 -8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.072 -1.209 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.726 -0.955 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.572 -0.686 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.060 1.271 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.846 1.374 -7.053 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.922 1.264 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.761 3.334 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.934 4.775 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.873 3.120 -6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.744 4.655 -6.025 1.00 0.00 H new