USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 737 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 Single : A 19 ASN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -117:sc= 0.0576 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 52 GLN : amide:sc= 0.327 X(o=0.33,f=-0.0079) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.28) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.213 K(o=-0.15,f=-0.96) USER MOD Single : A 80 TYR OH : rot -26:sc= 0.0826 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.043) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 73:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.069 10.660 -4.551 1.00 0.00 N ATOM 118 CA PHE A 8 -8.412 10.405 -3.264 1.00 0.00 C ATOM 119 C PHE A 8 -7.041 9.731 -3.405 1.00 0.00 C ATOM 120 O PHE A 8 -6.121 10.035 -2.648 1.00 0.00 O ATOM 121 CB PHE A 8 -9.315 9.537 -2.380 1.00 0.00 C ATOM 122 CG PHE A 8 -10.538 10.250 -1.878 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.710 10.241 -2.615 1.00 0.00 C ATOM 124 CD2 PHE A 8 -10.515 10.931 -0.671 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.838 10.895 -2.161 1.00 0.00 C ATOM 126 CE2 PHE A 8 -11.641 11.587 -0.210 1.00 0.00 C ATOM 127 CZ PHE A 8 -12.804 11.571 -0.957 1.00 0.00 C ATOM 0 HA PHE A 8 -8.244 11.379 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.625 8.658 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.738 9.180 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.742 9.715 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.608 10.949 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.745 10.878 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.612 12.112 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.684 12.086 -0.600 1.00 0.00 H new ATOM 137 N LEU A 9 -6.909 8.819 -4.368 1.00 0.00 N ATOM 138 CA LEU A 9 -5.657 8.079 -4.566 1.00 0.00 C ATOM 139 C LEU A 9 -4.481 8.954 -5.043 1.00 0.00 C ATOM 140 O LEU A 9 -3.393 8.870 -4.471 1.00 0.00 O ATOM 141 CB LEU A 9 -5.872 6.908 -5.530 1.00 0.00 C ATOM 142 CG LEU A 9 -6.139 5.554 -4.860 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.602 5.423 -4.465 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.739 4.413 -5.782 1.00 0.00 C ATOM 0 H LEU A 9 -7.651 8.573 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.375 7.703 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.712 7.145 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.991 6.814 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.533 5.501 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.766 4.455 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.863 6.217 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.227 5.503 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.936 3.461 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.317 4.471 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.677 4.488 -6.014 1.00 0.00 H new ATOM 156 N PRO A 10 -4.647 9.790 -6.096 1.00 0.00 N ATOM 157 CA PRO A 10 -3.557 10.647 -6.595 1.00 0.00 C ATOM 158 C PRO A 10 -3.176 11.771 -5.624 1.00 0.00 C ATOM 159 O PRO A 10 -2.166 12.446 -5.818 1.00 0.00 O ATOM 160 CB PRO A 10 -4.118 11.240 -7.899 1.00 0.00 C ATOM 161 CG PRO A 10 -5.324 10.425 -8.219 1.00 0.00 C ATOM 162 CD PRO A 10 -5.865 9.959 -6.902 1.00 0.00 C ATOM 0 HA PRO A 10 -2.641 10.072 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.377 12.291 -7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.383 11.187 -8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.064 11.017 -8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.066 9.579 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.544 10.689 -6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.420 9.026 -6.999 1.00 0.00 H new ATOM 170 N GLU A 11 -3.983 11.961 -4.582 1.00 0.00 N ATOM 171 CA GLU A 11 -3.728 13.005 -3.591 1.00 0.00 C ATOM 172 C GLU A 11 -2.859 12.487 -2.443 1.00 0.00 C ATOM 173 O GLU A 11 -1.983 13.196 -1.948 1.00 0.00 O ATOM 174 CB GLU A 11 -5.054 13.538 -3.045 1.00 0.00 C ATOM 175 CG GLU A 11 -5.825 14.389 -4.043 1.00 0.00 C ATOM 176 CD GLU A 11 -5.301 15.809 -4.136 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.778 16.669 -3.366 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.413 16.062 -4.978 1.00 0.00 O ATOM 0 H GLU A 11 -4.819 11.406 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.186 13.812 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.676 12.697 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.858 14.130 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.773 13.923 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.876 14.413 -3.757 1.00 0.00 H new ATOM 185 N ILE A 12 -3.105 11.247 -2.030 1.00 0.00 N ATOM 186 CA ILE A 12 -2.346 10.633 -0.944 1.00 0.00 C ATOM 187 C ILE A 12 -0.954 10.213 -1.406 1.00 0.00 C ATOM 188 O ILE A 12 -0.022 10.162 -0.606 1.00 0.00 O ATOM 189 CB ILE A 12 -3.074 9.411 -0.338 1.00 0.00 C ATOM 190 CG1 ILE A 12 -3.592 8.492 -1.441 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.218 9.866 0.557 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.479 7.021 -1.114 1.00 0.00 C ATOM 0 H ILE A 12 -3.825 10.646 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.254 11.395 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.361 8.851 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.637 8.731 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.039 8.694 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.721 8.994 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.824 10.482 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.929 10.448 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.867 6.433 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.433 6.765 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.055 6.803 -0.215 1.00 0.00 H new ATOM 204 N LEU A 13 -0.838 9.882 -2.698 1.00 0.00 N ATOM 205 CA LEU A 13 0.428 9.445 -3.299 1.00 0.00 C ATOM 206 C LEU A 13 1.602 10.361 -2.939 1.00 0.00 C ATOM 207 O LEU A 13 2.690 9.886 -2.632 1.00 0.00 O ATOM 208 CB LEU A 13 0.289 9.365 -4.822 1.00 0.00 C ATOM 209 CG LEU A 13 1.311 8.462 -5.517 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.847 7.018 -5.483 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.542 8.913 -6.952 1.00 0.00 C ATOM 0 H LEU A 13 -1.618 9.910 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 13 0.647 8.459 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.712 9.008 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.376 10.371 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 13 2.257 8.537 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.584 6.387 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.734 6.696 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.111 6.931 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.272 8.257 -7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.602 8.869 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.917 9.936 -6.956 1.00 0.00 H new ATOM 223 N ALA A 14 1.379 11.671 -2.972 1.00 0.00 N ATOM 224 CA ALA A 14 2.430 12.635 -2.656 1.00 0.00 C ATOM 225 C ALA A 14 2.832 12.573 -1.181 1.00 0.00 C ATOM 226 O ALA A 14 4.018 12.592 -0.850 1.00 0.00 O ATOM 227 CB ALA A 14 1.973 14.039 -3.024 1.00 0.00 C ATOM 0 H ALA A 14 0.481 12.090 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 14 3.310 12.377 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.762 14.753 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.755 14.083 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.075 14.289 -2.459 1.00 0.00 H new ATOM 233 N GLU A 15 1.835 12.487 -0.303 1.00 0.00 N ATOM 234 CA GLU A 15 2.071 12.434 1.141 1.00 0.00 C ATOM 235 C GLU A 15 2.596 11.073 1.611 1.00 0.00 C ATOM 236 O GLU A 15 3.054 10.947 2.747 1.00 0.00 O ATOM 237 CB GLU A 15 0.780 12.754 1.895 1.00 0.00 C ATOM 238 CG GLU A 15 0.381 14.220 1.854 1.00 0.00 C ATOM 239 CD GLU A 15 -0.916 14.480 2.596 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.989 14.369 1.970 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.857 14.784 3.806 1.00 0.00 O ATOM 0 H GLU A 15 0.850 12.452 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 15 2.838 13.178 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.030 12.157 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.895 12.449 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.176 14.824 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.274 14.537 0.817 1.00 0.00 H new ATOM 248 N ILE A 16 2.537 10.057 0.752 1.00 0.00 N ATOM 249 CA ILE A 16 2.996 8.724 1.138 1.00 0.00 C ATOM 250 C ILE A 16 4.464 8.480 0.779 1.00 0.00 C ATOM 251 O ILE A 16 5.164 7.796 1.513 1.00 0.00 O ATOM 252 CB ILE A 16 2.109 7.598 0.540 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.363 6.278 1.270 1.00 0.00 C ATOM 254 CG2 ILE A 16 2.359 7.428 -0.950 1.00 0.00 C ATOM 255 CD1 ILE A 16 1.193 5.319 1.225 1.00 0.00 C ATOM 0 H ILE A 16 2.182 10.128 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 16 2.905 8.690 2.224 1.00 0.00 H new ATOM 0 HB ILE A 16 1.067 7.887 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.235 5.793 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.607 6.490 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.723 6.632 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.129 8.360 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.405 7.169 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.449 4.407 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.324 5.783 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.962 5.075 0.188 1.00 0.00 H new ATOM 267 N ILE A 17 4.943 9.048 -0.329 1.00 0.00 N ATOM 268 CA ILE A 17 6.337 8.847 -0.738 1.00 0.00 C ATOM 269 C ILE A 17 7.322 9.433 0.280 1.00 0.00 C ATOM 270 O ILE A 17 8.431 8.927 0.446 1.00 0.00 O ATOM 271 CB ILE A 17 6.622 9.451 -2.135 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.610 8.935 -3.157 1.00 0.00 C ATOM 273 CG2 ILE A 17 8.037 9.115 -2.589 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.427 9.846 -4.353 1.00 0.00 C ATOM 0 H ILE A 17 4.397 9.643 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 17 6.484 7.768 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 17 6.528 10.534 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.929 7.953 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.647 8.801 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.216 9.549 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.754 9.523 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.154 8.033 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.694 9.412 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.077 10.822 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.379 9.961 -4.872 1.00 0.00 H new ATOM 286 N ALA A 18 6.901 10.483 0.982 1.00 0.00 N ATOM 287 CA ALA A 18 7.755 11.140 1.967 1.00 0.00 C ATOM 288 C ALA A 18 7.632 10.518 3.362 1.00 0.00 C ATOM 289 O ALA A 18 8.480 10.755 4.222 1.00 0.00 O ATOM 290 CB ALA A 18 7.421 12.623 2.028 1.00 0.00 C ATOM 0 H ALA A 18 5.973 10.897 0.886 1.00 0.00 H new ATOM 0 HA ALA A 18 8.787 11.001 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.060 13.110 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.586 13.074 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.377 12.749 2.314 1.00 0.00 H new ATOM 296 N ASN A 19 6.580 9.733 3.590 1.00 0.00 N ATOM 297 CA ASN A 19 6.362 9.113 4.899 1.00 0.00 C ATOM 298 C ASN A 19 6.335 7.586 4.824 1.00 0.00 C ATOM 299 O ASN A 19 5.759 6.927 5.692 1.00 0.00 O ATOM 300 CB ASN A 19 5.055 9.624 5.508 1.00 0.00 C ATOM 301 CG ASN A 19 5.162 11.059 5.986 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.571 11.320 7.117 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.796 12.000 5.123 1.00 0.00 N ATOM 0 H ASN A 19 5.870 9.512 2.892 1.00 0.00 H new ATOM 0 HA ASN A 19 7.203 9.394 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.259 9.549 4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.773 8.985 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.848 12.984 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.463 11.739 4.195 1.00 0.00 H new ATOM 310 N LEU A 20 6.950 7.023 3.793 1.00 0.00 N ATOM 311 CA LEU A 20 6.970 5.571 3.627 1.00 0.00 C ATOM 312 C LEU A 20 8.386 5.033 3.474 1.00 0.00 C ATOM 313 O LEU A 20 9.261 5.692 2.912 1.00 0.00 O ATOM 314 CB LEU A 20 6.144 5.164 2.408 1.00 0.00 C ATOM 315 CG LEU A 20 5.735 3.693 2.354 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.367 3.499 2.987 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.733 3.200 0.915 1.00 0.00 C ATOM 0 H LEU A 20 7.439 7.542 3.063 1.00 0.00 H new ATOM 0 HA LEU A 20 6.538 5.141 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.242 5.775 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.715 5.398 1.509 1.00 0.00 H new ATOM 0 HG LEU A 20 6.460 3.108 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.091 2.446 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.399 3.820 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.629 4.092 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.440 2.150 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.026 3.788 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.732 3.308 0.492 1.00 0.00 H new ATOM 329 N ASP A 21 8.593 3.821 3.978 1.00 0.00 N ATOM 330 CA ASP A 21 9.887 3.154 3.892 1.00 0.00 C ATOM 331 C ASP A 21 9.708 1.759 3.302 1.00 0.00 C ATOM 332 O ASP A 21 9.325 0.828 4.009 1.00 0.00 O ATOM 333 CB ASP A 21 10.538 3.063 5.275 1.00 0.00 C ATOM 334 CG ASP A 21 11.151 4.379 5.712 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.404 5.252 6.204 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.381 4.537 5.564 1.00 0.00 O ATOM 0 H ASP A 21 7.874 3.277 4.454 1.00 0.00 H new ATOM 0 HA ASP A 21 10.541 3.737 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.791 2.753 6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.309 2.293 5.261 1.00 0.00 H new ATOM 341 N PRO A 22 9.984 1.604 1.991 1.00 0.00 N ATOM 342 CA PRO A 22 9.837 0.323 1.269 1.00 0.00 C ATOM 343 C PRO A 22 10.647 -0.832 1.864 1.00 0.00 C ATOM 344 O PRO A 22 10.339 -1.995 1.619 1.00 0.00 O ATOM 345 CB PRO A 22 10.349 0.645 -0.140 1.00 0.00 C ATOM 346 CG PRO A 22 10.219 2.121 -0.271 1.00 0.00 C ATOM 347 CD PRO A 22 10.461 2.678 1.100 1.00 0.00 C ATOM 0 HA PRO A 22 8.804 -0.023 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.384 0.328 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.763 0.129 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.942 2.515 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.229 2.395 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.516 2.898 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.913 3.606 1.260 1.00 0.00 H new ATOM 355 N THR A 23 11.675 -0.512 2.639 1.00 0.00 N ATOM 356 CA THR A 23 12.525 -1.530 3.248 1.00 0.00 C ATOM 357 C THR A 23 11.857 -2.209 4.445 1.00 0.00 C ATOM 358 O THR A 23 11.798 -3.435 4.519 1.00 0.00 O ATOM 359 CB THR A 23 13.860 -0.917 3.712 1.00 0.00 C ATOM 360 OG1 THR A 23 13.630 0.372 4.298 1.00 0.00 O ATOM 361 CG2 THR A 23 14.826 -0.777 2.547 1.00 0.00 C ATOM 0 H THR A 23 11.942 0.447 2.862 1.00 0.00 H new ATOM 0 HA THR A 23 12.701 -2.282 2.479 1.00 0.00 H new ATOM 0 HB THR A 23 14.300 -1.584 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.483 0.755 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.761 -0.342 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.022 -1.759 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.388 -0.129 1.787 1.00 0.00 H new ATOM 369 N LYS A 24 11.339 -1.402 5.365 1.00 0.00 N ATOM 370 CA LYS A 24 10.716 -1.912 6.587 1.00 0.00 C ATOM 371 C LYS A 24 9.371 -2.600 6.345 1.00 0.00 C ATOM 372 O LYS A 24 8.999 -3.507 7.090 1.00 0.00 O ATOM 373 CB LYS A 24 10.535 -0.772 7.592 1.00 0.00 C ATOM 374 CG LYS A 24 10.615 -1.223 9.041 1.00 0.00 C ATOM 375 CD LYS A 24 10.310 -0.084 10.000 1.00 0.00 C ATOM 376 CE LYS A 24 10.210 -0.584 11.430 1.00 0.00 C ATOM 377 NZ LYS A 24 9.933 0.518 12.394 1.00 0.00 N ATOM 0 H LYS A 24 11.337 -0.385 5.289 1.00 0.00 H new ATOM 0 HA LYS A 24 11.390 -2.671 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.299 -0.015 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.569 -0.297 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.911 -2.038 9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.611 -1.615 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.091 0.673 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.374 0.396 9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.419 -1.331 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.141 -1.080 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.873 0.130 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.700 1.219 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.032 0.976 12.149 1.00 0.00 H new ATOM 391 N ILE A 25 8.640 -2.184 5.316 1.00 0.00 N ATOM 392 CA ILE A 25 7.332 -2.780 5.046 1.00 0.00 C ATOM 393 C ILE A 25 7.420 -4.029 4.170 1.00 0.00 C ATOM 394 O ILE A 25 6.662 -4.976 4.369 1.00 0.00 O ATOM 395 CB ILE A 25 6.357 -1.771 4.397 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.000 -1.087 3.194 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.904 -0.735 5.416 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.020 -0.777 2.087 1.00 0.00 C ATOM 0 H ILE A 25 8.922 -1.451 4.665 1.00 0.00 H new ATOM 0 HA ILE A 25 6.944 -3.073 6.022 1.00 0.00 H new ATOM 0 HB ILE A 25 5.484 -2.322 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.472 -0.161 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.791 -1.726 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.218 -0.033 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.398 -1.234 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.771 -0.194 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.543 -0.292 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.566 -1.703 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.243 -0.113 2.465 1.00 0.00 H new ATOM 410 N LEU A 26 8.350 -4.044 3.217 1.00 0.00 N ATOM 411 CA LEU A 26 8.491 -5.185 2.311 1.00 0.00 C ATOM 412 C LEU A 26 9.037 -6.419 3.024 1.00 0.00 C ATOM 413 O LEU A 26 8.650 -7.544 2.706 1.00 0.00 O ATOM 414 CB LEU A 26 9.402 -4.828 1.136 1.00 0.00 C ATOM 415 CG LEU A 26 9.135 -5.614 -0.146 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.040 -4.942 -0.957 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.405 -5.743 -0.971 1.00 0.00 C ATOM 0 H LEU A 26 9.013 -3.286 3.052 1.00 0.00 H new ATOM 0 HA LEU A 26 7.494 -5.423 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.295 -3.765 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.437 -4.990 1.435 1.00 0.00 H new ATOM 0 HG LEU A 26 8.802 -6.616 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.860 -5.513 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.124 -4.901 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.350 -3.930 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.193 -6.306 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.769 -4.750 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.165 -6.265 -0.390 1.00 0.00 H new ATOM 429 N GLU A 27 9.923 -6.203 3.993 1.00 0.00 N ATOM 430 CA GLU A 27 10.538 -7.303 4.732 1.00 0.00 C ATOM 431 C GLU A 27 9.539 -8.041 5.630 1.00 0.00 C ATOM 432 O GLU A 27 9.620 -9.262 5.778 1.00 0.00 O ATOM 433 CB GLU A 27 11.702 -6.781 5.576 1.00 0.00 C ATOM 434 CG GLU A 27 12.946 -6.445 4.768 1.00 0.00 C ATOM 435 CD GLU A 27 14.084 -5.952 5.640 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.164 -4.729 5.878 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.895 -6.790 6.086 1.00 0.00 O ATOM 0 H GLU A 27 10.231 -5.276 4.285 1.00 0.00 H new ATOM 0 HA GLU A 27 10.902 -8.018 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.378 -5.890 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.959 -7.529 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.269 -7.329 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.701 -5.682 4.029 1.00 0.00 H new ATOM 444 N GLU A 28 8.596 -7.304 6.216 1.00 0.00 N ATOM 445 CA GLU A 28 7.605 -7.901 7.114 1.00 0.00 C ATOM 446 C GLU A 28 6.530 -8.682 6.359 1.00 0.00 C ATOM 447 O GLU A 28 5.970 -9.644 6.887 1.00 0.00 O ATOM 448 CB GLU A 28 6.943 -6.820 7.974 1.00 0.00 C ATOM 449 CG GLU A 28 6.544 -7.308 9.357 1.00 0.00 C ATOM 450 CD GLU A 28 7.742 -7.589 10.241 1.00 0.00 C ATOM 451 OE1 GLU A 28 8.352 -6.618 10.738 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.073 -8.777 10.435 1.00 0.00 O ATOM 0 H GLU A 28 8.496 -6.297 6.087 1.00 0.00 H new ATOM 0 HA GLU A 28 8.141 -8.604 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.628 -5.979 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.057 -6.448 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.912 -6.559 9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.947 -8.215 9.261 1.00 0.00 H new ATOM 459 N LEU A 29 6.247 -8.273 5.126 1.00 0.00 N ATOM 460 CA LEU A 29 5.224 -8.932 4.320 1.00 0.00 C ATOM 461 C LEU A 29 5.736 -10.234 3.716 1.00 0.00 C ATOM 462 O LEU A 29 5.013 -11.229 3.664 1.00 0.00 O ATOM 463 CB LEU A 29 4.751 -8.000 3.207 1.00 0.00 C ATOM 464 CG LEU A 29 4.130 -6.689 3.683 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.029 -5.701 2.534 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.765 -6.938 4.300 1.00 0.00 C ATOM 0 H LEU A 29 6.710 -7.490 4.664 1.00 0.00 H new ATOM 0 HA LEU A 29 4.389 -9.170 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.599 -7.770 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.020 -8.530 2.596 1.00 0.00 H new ATOM 0 HG LEU A 29 4.776 -6.259 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.584 -4.772 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.025 -5.498 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.405 -6.122 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.338 -5.992 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.108 -7.391 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.868 -7.610 5.152 1.00 0.00 H new ATOM 478 N LEU A 30 6.988 -10.222 3.270 1.00 0.00 N ATOM 479 CA LEU A 30 7.596 -11.396 2.654 1.00 0.00 C ATOM 480 C LEU A 30 7.861 -12.504 3.669 1.00 0.00 C ATOM 481 O LEU A 30 7.824 -13.686 3.325 1.00 0.00 O ATOM 482 CB LEU A 30 8.898 -11.012 1.958 1.00 0.00 C ATOM 483 CG LEU A 30 8.728 -10.330 0.604 1.00 0.00 C ATOM 484 CD1 LEU A 30 9.932 -9.455 0.297 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.526 -11.368 -0.488 1.00 0.00 C ATOM 0 H LEU A 30 7.603 -9.410 3.324 1.00 0.00 H new ATOM 0 HA LEU A 30 6.887 -11.780 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.461 -10.348 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.499 -11.911 1.822 1.00 0.00 H new ATOM 0 HG LEU A 30 7.843 -9.694 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.796 -8.975 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.033 -8.692 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.832 -10.069 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.406 -10.867 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.393 -12.027 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.634 -11.955 -0.271 1.00 0.00 H new ATOM 497 N ARG A 31 8.130 -12.120 4.915 1.00 0.00 N ATOM 498 CA ARG A 31 8.409 -13.090 5.969 1.00 0.00 C ATOM 499 C ARG A 31 7.167 -13.904 6.322 1.00 0.00 C ATOM 500 O ARG A 31 7.270 -15.055 6.746 1.00 0.00 O ATOM 501 CB ARG A 31 8.934 -12.388 7.220 1.00 0.00 C ATOM 502 CG ARG A 31 9.901 -13.241 8.021 1.00 0.00 C ATOM 503 CD ARG A 31 11.324 -13.082 7.521 1.00 0.00 C ATOM 504 NE ARG A 31 12.271 -13.874 8.302 1.00 0.00 N ATOM 505 CZ ARG A 31 13.570 -13.942 8.035 1.00 0.00 C ATOM 506 NH1 ARG A 31 14.075 -13.269 7.009 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.369 -14.680 8.796 1.00 0.00 N ATOM 0 H ARG A 31 8.160 -11.147 5.218 1.00 0.00 H new ATOM 0 HA ARG A 31 9.171 -13.771 5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.431 -11.463 6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.092 -12.111 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.850 -12.961 9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.605 -14.288 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.376 -13.383 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.608 -12.031 7.565 1.00 0.00 H new ATOM 0 HE ARG A 31 11.914 -14.404 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.465 -12.698 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.073 -13.323 6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.985 -15.196 9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.366 -14.731 8.589 1.00 0.00 H new ATOM 521 N ARG A 32 5.995 -13.303 6.144 1.00 0.00 N ATOM 522 CA ARG A 32 4.739 -13.980 6.446 1.00 0.00 C ATOM 523 C ARG A 32 4.181 -14.689 5.214 1.00 0.00 C ATOM 524 O ARG A 32 3.264 -15.504 5.321 1.00 0.00 O ATOM 525 CB ARG A 32 3.719 -12.979 6.988 1.00 0.00 C ATOM 526 CG ARG A 32 4.135 -12.346 8.307 1.00 0.00 C ATOM 527 CD ARG A 32 2.948 -11.730 9.027 1.00 0.00 C ATOM 528 NE ARG A 32 3.330 -11.121 10.300 1.00 0.00 N ATOM 529 CZ ARG A 32 2.474 -10.510 11.113 1.00 0.00 C ATOM 530 NH1 ARG A 32 1.190 -10.425 10.789 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.900 -9.982 12.252 1.00 0.00 N ATOM 0 H ARG A 32 5.889 -12.351 5.793 1.00 0.00 H new ATOM 0 HA ARG A 32 4.937 -14.735 7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.565 -12.193 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.762 -13.483 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.597 -13.100 8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.888 -11.580 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.489 -10.975 8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.195 -12.498 9.205 1.00 0.00 H new ATOM 0 HE ARG A 32 4.310 -11.168 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.857 -10.829 9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.536 -9.955 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.886 -10.044 12.506 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.242 -9.514 12.875 1.00 0.00 H new ATOM 545 N GLY A 33 4.744 -14.380 4.049 1.00 0.00 N ATOM 546 CA GLY A 33 4.295 -14.998 2.815 1.00 0.00 C ATOM 547 C GLY A 33 3.095 -14.295 2.208 1.00 0.00 C ATOM 548 O GLY A 33 2.214 -14.941 1.640 1.00 0.00 O ATOM 0 H GLY A 33 5.505 -13.710 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.113 -14.997 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.041 -16.040 3.008 1.00 0.00 H new ATOM 552 N LEU A 34 3.056 -12.970 2.328 1.00 0.00 N ATOM 553 CA LEU A 34 1.951 -12.181 1.786 1.00 0.00 C ATOM 554 C LEU A 34 2.273 -11.638 0.397 1.00 0.00 C ATOM 555 O LEU A 34 1.370 -11.276 -0.358 1.00 0.00 O ATOM 556 CB LEU A 34 1.629 -11.014 2.726 1.00 0.00 C ATOM 557 CG LEU A 34 0.245 -10.381 2.538 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.330 -9.953 3.879 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.322 -9.194 1.585 1.00 0.00 C ATOM 0 H LEU A 34 3.776 -12.420 2.796 1.00 0.00 H new ATOM 0 HA LEU A 34 1.087 -12.840 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.713 -11.364 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.385 -10.241 2.590 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.418 -11.128 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.312 -9.506 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.424 -10.823 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.333 -9.223 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.670 -8.759 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.000 -8.444 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.691 -9.529 0.616 1.00 0.00 H new ATOM 571 N LEU A 35 3.548 -11.617 0.037 1.00 0.00 N ATOM 572 CA LEU A 35 3.946 -11.071 -1.249 1.00 0.00 C ATOM 573 C LEU A 35 4.430 -12.164 -2.197 1.00 0.00 C ATOM 574 O LEU A 35 5.161 -13.071 -1.796 1.00 0.00 O ATOM 575 CB LEU A 35 5.050 -10.031 -1.053 1.00 0.00 C ATOM 576 CG LEU A 35 4.830 -8.709 -1.791 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.533 -7.573 -1.067 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.317 -8.807 -3.229 1.00 0.00 C ATOM 0 H LEU A 35 4.315 -11.967 0.610 1.00 0.00 H new ATOM 0 HA LEU A 35 3.071 -10.600 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.148 -9.823 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.996 -10.461 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 35 3.760 -8.500 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.366 -6.640 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.135 -7.485 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.602 -7.778 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.151 -7.856 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.381 -9.041 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.768 -9.594 -3.746 1.00 0.00 H new ATOM 590 N THR A 36 4.011 -12.070 -3.460 1.00 0.00 N ATOM 591 CA THR A 36 4.401 -13.044 -4.473 1.00 0.00 C ATOM 592 C THR A 36 5.566 -12.523 -5.310 1.00 0.00 C ATOM 593 O THR A 36 5.747 -11.315 -5.449 1.00 0.00 O ATOM 594 CB THR A 36 3.227 -13.389 -5.412 1.00 0.00 C ATOM 595 OG1 THR A 36 2.638 -12.189 -5.923 1.00 0.00 O ATOM 596 CG2 THR A 36 2.176 -14.210 -4.682 1.00 0.00 C ATOM 0 H THR A 36 3.401 -11.328 -3.803 1.00 0.00 H new ATOM 0 HA THR A 36 4.705 -13.946 -3.942 1.00 0.00 H new ATOM 0 HB THR A 36 3.614 -13.981 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.710 -12.124 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.357 -14.442 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.623 -15.137 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.793 -13.640 -3.835 1.00 0.00 H new ATOM 604 N PRO A 37 6.376 -13.436 -5.872 1.00 0.00 N ATOM 605 CA PRO A 37 7.530 -13.073 -6.706 1.00 0.00 C ATOM 606 C PRO A 37 7.130 -12.354 -7.997 1.00 0.00 C ATOM 607 O PRO A 37 7.901 -11.560 -8.530 1.00 0.00 O ATOM 608 CB PRO A 37 8.189 -14.422 -7.019 1.00 0.00 C ATOM 609 CG PRO A 37 7.120 -15.437 -6.806 1.00 0.00 C ATOM 610 CD PRO A 37 6.243 -14.895 -5.717 1.00 0.00 C ATOM 0 HA PRO A 37 8.189 -12.372 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.561 -14.451 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.042 -14.605 -6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.550 -15.600 -7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.547 -16.398 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.209 -15.220 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.572 -15.227 -4.732 1.00 0.00 H new ATOM 618 N ALA A 38 5.920 -12.629 -8.487 1.00 0.00 N ATOM 619 CA ALA A 38 5.417 -12.005 -9.710 1.00 0.00 C ATOM 620 C ALA A 38 5.146 -10.517 -9.494 1.00 0.00 C ATOM 621 O ALA A 38 5.499 -9.684 -10.329 1.00 0.00 O ATOM 622 CB ALA A 38 4.152 -12.713 -10.172 1.00 0.00 C ATOM 0 H ALA A 38 5.268 -13.283 -8.053 1.00 0.00 H new ATOM 0 HA ALA A 38 6.180 -12.099 -10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.784 -12.242 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.373 -13.762 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.391 -12.643 -9.395 1.00 0.00 H new ATOM 628 N GLU A 39 4.522 -10.197 -8.362 1.00 0.00 N ATOM 629 CA GLU A 39 4.205 -8.815 -8.013 1.00 0.00 C ATOM 630 C GLU A 39 5.468 -8.060 -7.605 1.00 0.00 C ATOM 631 O GLU A 39 5.609 -6.860 -7.865 1.00 0.00 O ATOM 632 CB GLU A 39 3.187 -8.789 -6.867 1.00 0.00 C ATOM 633 CG GLU A 39 1.764 -9.107 -7.301 1.00 0.00 C ATOM 634 CD GLU A 39 0.843 -9.367 -6.124 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.732 -8.483 -5.249 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.233 -10.457 -6.076 1.00 0.00 O ATOM 0 H GLU A 39 4.225 -10.882 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 39 3.777 -8.325 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.493 -9.506 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.203 -7.803 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.372 -8.276 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.773 -9.981 -7.952 1.00 0.00 H new ATOM 643 N LEU A 40 6.388 -8.786 -6.976 1.00 0.00 N ATOM 644 CA LEU A 40 7.647 -8.218 -6.506 1.00 0.00 C ATOM 645 C LEU A 40 8.556 -7.815 -7.660 1.00 0.00 C ATOM 646 O LEU A 40 9.086 -6.709 -7.675 1.00 0.00 O ATOM 647 CB LEU A 40 8.374 -9.222 -5.616 1.00 0.00 C ATOM 648 CG LEU A 40 9.414 -8.616 -4.670 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.365 -9.291 -3.311 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.810 -8.732 -5.265 1.00 0.00 C ATOM 0 H LEU A 40 6.282 -9.781 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 40 7.406 -7.320 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.635 -9.760 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.868 -9.957 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 40 9.177 -7.560 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.113 -8.844 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.375 -9.159 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.572 -10.355 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.536 -8.296 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.050 -9.783 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.846 -8.201 -6.216 1.00 0.00 H new ATOM 662 N GLN A 41 8.733 -8.723 -8.620 1.00 0.00 N ATOM 663 CA GLN A 41 9.595 -8.476 -9.776 1.00 0.00 C ATOM 664 C GLN A 41 9.124 -7.277 -10.590 1.00 0.00 C ATOM 665 O GLN A 41 9.912 -6.664 -11.304 1.00 0.00 O ATOM 666 CB GLN A 41 9.649 -9.718 -10.668 1.00 0.00 C ATOM 667 CG GLN A 41 10.587 -10.797 -10.151 1.00 0.00 C ATOM 668 CD GLN A 41 12.027 -10.579 -10.576 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.441 -11.013 -11.649 1.00 0.00 O ATOM 670 NE2 GLN A 41 12.800 -9.908 -9.730 1.00 0.00 N ATOM 0 H GLN A 41 8.288 -9.641 -8.619 1.00 0.00 H new ATOM 0 HA GLN A 41 10.593 -8.252 -9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.646 -10.134 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.964 -9.423 -11.669 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.535 -10.826 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.250 -11.769 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.415 -9.565 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.778 -9.735 -9.961 1.00 0.00 H new ATOM 679 N GLU A 42 7.842 -6.949 -10.482 1.00 0.00 N ATOM 680 CA GLU A 42 7.279 -5.827 -11.215 1.00 0.00 C ATOM 681 C GLU A 42 7.687 -4.489 -10.593 1.00 0.00 C ATOM 682 O GLU A 42 8.286 -3.633 -11.257 1.00 0.00 O ATOM 683 CB GLU A 42 5.759 -5.943 -11.235 1.00 0.00 C ATOM 684 CG GLU A 42 5.212 -6.794 -12.370 1.00 0.00 C ATOM 685 CD GLU A 42 3.698 -6.858 -12.360 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.062 -5.964 -12.958 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.146 -7.798 -11.750 1.00 0.00 O ATOM 0 H GLU A 42 7.174 -7.446 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 42 7.668 -5.857 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.426 -6.365 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.331 -4.943 -11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.550 -6.387 -13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.617 -7.803 -12.293 1.00 0.00 H new ATOM 694 N VAL A 43 7.380 -4.324 -9.304 1.00 0.00 N ATOM 695 CA VAL A 43 7.694 -3.088 -8.594 1.00 0.00 C ATOM 696 C VAL A 43 9.202 -2.937 -8.367 1.00 0.00 C ATOM 697 O VAL A 43 9.712 -1.824 -8.283 1.00 0.00 O ATOM 698 CB VAL A 43 6.921 -2.989 -7.251 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.195 -4.186 -6.361 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.243 -1.692 -6.518 1.00 0.00 C ATOM 0 H VAL A 43 6.915 -5.031 -8.734 1.00 0.00 H new ATOM 0 HA VAL A 43 7.368 -2.264 -9.228 1.00 0.00 H new ATOM 0 HB VAL A 43 5.858 -2.986 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.637 -4.082 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.884 -5.098 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.261 -4.240 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.685 -1.655 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.311 -1.650 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.963 -0.843 -7.141 1.00 0.00 H new ATOM 710 N LEU A 44 9.920 -4.053 -8.292 1.00 0.00 N ATOM 711 CA LEU A 44 11.364 -4.004 -8.090 1.00 0.00 C ATOM 712 C LEU A 44 12.075 -3.640 -9.389 1.00 0.00 C ATOM 713 O LEU A 44 13.147 -3.033 -9.371 1.00 0.00 O ATOM 714 CB LEU A 44 11.883 -5.339 -7.557 1.00 0.00 C ATOM 715 CG LEU A 44 13.271 -5.287 -6.916 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.303 -6.118 -5.645 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.333 -5.769 -7.895 1.00 0.00 C ATOM 0 H LEU A 44 9.531 -4.993 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 44 11.576 -3.233 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.174 -5.719 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.906 -6.056 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 44 13.489 -4.251 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.298 -6.069 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.572 -5.728 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.062 -7.154 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.313 -5.724 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.118 -6.797 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.329 -5.131 -8.779 1.00 0.00 H new ATOM 729 N ASP A 45 11.464 -4.011 -10.515 1.00 0.00 N ATOM 730 CA ASP A 45 12.025 -3.718 -11.827 1.00 0.00 C ATOM 731 C ASP A 45 12.026 -2.219 -12.098 1.00 0.00 C ATOM 732 O ASP A 45 13.002 -1.683 -12.623 1.00 0.00 O ATOM 733 CB ASP A 45 11.235 -4.439 -12.921 1.00 0.00 C ATOM 734 CG ASP A 45 12.092 -4.784 -14.123 1.00 0.00 C ATOM 735 OD1 ASP A 45 12.740 -5.851 -14.104 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.115 -3.987 -15.085 1.00 0.00 O ATOM 0 H ASP A 45 10.578 -4.516 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 45 13.055 -4.074 -11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.804 -5.353 -12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.404 -3.810 -13.240 1.00 0.00 H new ATOM 741 N LEU A 46 10.939 -1.540 -11.735 1.00 0.00 N ATOM 742 CA LEU A 46 10.858 -0.098 -11.959 1.00 0.00 C ATOM 743 C LEU A 46 11.664 0.666 -10.921 1.00 0.00 C ATOM 744 O LEU A 46 11.744 0.273 -9.757 1.00 0.00 O ATOM 745 CB LEU A 46 9.410 0.408 -11.956 1.00 0.00 C ATOM 746 CG LEU A 46 8.465 -0.254 -10.951 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.343 0.595 -9.698 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.096 -0.470 -11.573 1.00 0.00 C ATOM 0 H LEU A 46 10.118 -1.954 -11.294 1.00 0.00 H new ATOM 0 HA LEU A 46 11.281 0.084 -12.947 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.422 1.480 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.997 0.271 -12.956 1.00 0.00 H new ATOM 0 HG LEU A 46 8.880 -1.224 -10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.667 0.110 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.325 0.709 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.949 1.577 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.436 -0.942 -10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.677 0.490 -11.874 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.191 -1.114 -12.447 1.00 0.00 H new ATOM 760 N LYS A 47 12.261 1.765 -11.358 1.00 0.00 N ATOM 761 CA LYS A 47 13.052 2.608 -10.481 1.00 0.00 C ATOM 762 C LYS A 47 12.343 3.935 -10.256 1.00 0.00 C ATOM 763 O LYS A 47 12.924 4.878 -9.724 1.00 0.00 O ATOM 764 CB LYS A 47 14.436 2.851 -11.082 1.00 0.00 C ATOM 765 CG LYS A 47 15.361 1.652 -10.974 1.00 0.00 C ATOM 766 CD LYS A 47 16.718 1.947 -11.584 1.00 0.00 C ATOM 767 CE LYS A 47 17.642 0.745 -11.499 1.00 0.00 C ATOM 768 NZ LYS A 47 18.975 1.028 -12.097 1.00 0.00 N ATOM 0 H LYS A 47 12.210 2.093 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 47 13.171 2.101 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.325 3.121 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.897 3.702 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.483 1.377 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.911 0.796 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.593 2.238 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.173 2.793 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.766 0.455 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.186 -0.101 -12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.577 0.183 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.859 1.280 -13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.422 1.819 -11.591 1.00 0.00 H new ATOM 782 N THR A 48 11.082 3.999 -10.672 1.00 0.00 N ATOM 783 CA THR A 48 10.286 5.210 -10.526 1.00 0.00 C ATOM 784 C THR A 48 9.602 5.258 -9.160 1.00 0.00 C ATOM 785 O THR A 48 8.721 4.455 -8.877 1.00 0.00 O ATOM 786 CB THR A 48 9.230 5.303 -11.644 1.00 0.00 C ATOM 787 OG1 THR A 48 8.720 3.998 -11.944 1.00 0.00 O ATOM 788 CG2 THR A 48 9.838 5.906 -12.901 1.00 0.00 C ATOM 0 H THR A 48 10.589 3.223 -11.114 1.00 0.00 H new ATOM 0 HA THR A 48 10.961 6.062 -10.604 1.00 0.00 H new ATOM 0 HB THR A 48 8.418 5.943 -11.299 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.048 4.065 -12.654 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.078 5.964 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.210 6.907 -12.681 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.662 5.280 -13.243 1.00 0.00 H new ATOM 796 N PRO A 49 10.010 6.216 -8.300 1.00 0.00 N ATOM 797 CA PRO A 49 9.455 6.379 -6.942 1.00 0.00 C ATOM 798 C PRO A 49 7.940 6.585 -6.927 1.00 0.00 C ATOM 799 O PRO A 49 7.256 6.126 -6.012 1.00 0.00 O ATOM 800 CB PRO A 49 10.163 7.633 -6.416 1.00 0.00 C ATOM 801 CG PRO A 49 11.402 7.746 -7.235 1.00 0.00 C ATOM 802 CD PRO A 49 11.046 7.219 -8.591 1.00 0.00 C ATOM 0 HA PRO A 49 9.617 5.485 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.535 8.517 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.398 7.539 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.738 8.781 -7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.216 7.171 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.671 8.007 -9.244 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.908 6.775 -9.090 1.00 0.00 H new ATOM 810 N GLU A 50 7.427 7.282 -7.938 1.00 0.00 N ATOM 811 CA GLU A 50 5.994 7.538 -8.042 1.00 0.00 C ATOM 812 C GLU A 50 5.230 6.240 -8.289 1.00 0.00 C ATOM 813 O GLU A 50 4.163 6.018 -7.714 1.00 0.00 O ATOM 814 CB GLU A 50 5.714 8.532 -9.169 1.00 0.00 C ATOM 815 CG GLU A 50 6.110 9.963 -8.838 1.00 0.00 C ATOM 816 CD GLU A 50 5.841 10.916 -9.984 1.00 0.00 C ATOM 817 OE1 GLU A 50 6.739 11.089 -10.834 1.00 0.00 O ATOM 818 OE2 GLU A 50 4.731 11.486 -10.035 1.00 0.00 O ATOM 0 H GLU A 50 7.982 7.679 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 50 5.654 7.966 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.250 8.214 -10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.651 8.505 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.561 10.295 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.169 9.994 -8.584 1.00 0.00 H new ATOM 825 N GLU A 51 5.785 5.388 -9.149 1.00 0.00 N ATOM 826 CA GLU A 51 5.165 4.109 -9.472 1.00 0.00 C ATOM 827 C GLU A 51 5.323 3.115 -8.323 1.00 0.00 C ATOM 828 O GLU A 51 4.460 2.269 -8.118 1.00 0.00 O ATOM 829 CB GLU A 51 5.757 3.526 -10.757 1.00 0.00 C ATOM 830 CG GLU A 51 4.822 2.566 -11.476 1.00 0.00 C ATOM 831 CD GLU A 51 3.671 3.277 -12.162 1.00 0.00 C ATOM 832 OE1 GLU A 51 3.857 3.732 -13.310 1.00 0.00 O ATOM 833 OE2 GLU A 51 2.588 3.382 -11.551 1.00 0.00 O ATOM 0 H GLU A 51 6.665 5.563 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 51 4.101 4.288 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.015 4.342 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.684 3.006 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.387 2.000 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.425 1.847 -10.760 1.00 0.00 H new ATOM 840 N GLN A 52 6.436 3.213 -7.586 1.00 0.00 N ATOM 841 CA GLN A 52 6.695 2.325 -6.450 1.00 0.00 C ATOM 842 C GLN A 52 5.586 2.435 -5.410 1.00 0.00 C ATOM 843 O GLN A 52 5.039 1.426 -4.964 1.00 0.00 O ATOM 844 CB GLN A 52 8.046 2.660 -5.810 1.00 0.00 C ATOM 845 CG GLN A 52 9.232 2.349 -6.707 1.00 0.00 C ATOM 846 CD GLN A 52 10.250 1.446 -6.047 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.013 1.878 -5.184 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.270 0.184 -6.454 1.00 0.00 N ATOM 0 H GLN A 52 7.171 3.899 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 52 6.721 1.300 -6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.064 3.718 -5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.147 2.102 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.875 1.877 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.716 3.282 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.618 -0.130 -7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.937 -0.472 -6.048 1.00 0.00 H new ATOM 857 N ALA A 53 5.257 3.668 -5.032 1.00 0.00 N ATOM 858 CA ALA A 53 4.205 3.918 -4.056 1.00 0.00 C ATOM 859 C ALA A 53 2.851 3.500 -4.614 1.00 0.00 C ATOM 860 O ALA A 53 2.022 2.939 -3.898 1.00 0.00 O ATOM 861 CB ALA A 53 4.189 5.385 -3.656 1.00 0.00 C ATOM 0 H ALA A 53 5.707 4.511 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 53 4.409 3.322 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.397 5.555 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.150 5.653 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.008 6.000 -4.537 1.00 0.00 H new ATOM 867 N LYS A 54 2.648 3.762 -5.906 1.00 0.00 N ATOM 868 CA LYS A 54 1.404 3.414 -6.585 1.00 0.00 C ATOM 869 C LYS A 54 1.219 1.900 -6.645 1.00 0.00 C ATOM 870 O LYS A 54 0.097 1.402 -6.586 1.00 0.00 O ATOM 871 CB LYS A 54 1.402 3.994 -8.000 1.00 0.00 C ATOM 872 CG LYS A 54 0.025 4.404 -8.491 1.00 0.00 C ATOM 873 CD LYS A 54 0.088 5.053 -9.862 1.00 0.00 C ATOM 874 CE LYS A 54 -1.298 5.431 -10.356 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.263 6.051 -11.708 1.00 0.00 N ATOM 0 H LYS A 54 3.336 4.218 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 54 0.575 3.839 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.061 4.862 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.817 3.256 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.622 3.528 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.423 5.098 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.716 5.943 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.555 4.368 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.928 4.542 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.756 6.125 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.230 6.292 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.684 6.914 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.850 5.380 -12.387 1.00 0.00 H new ATOM 889 N LYS A 55 2.335 1.180 -6.758 1.00 0.00 N ATOM 890 CA LYS A 55 2.319 -0.278 -6.823 1.00 0.00 C ATOM 891 C LYS A 55 1.800 -0.872 -5.523 1.00 0.00 C ATOM 892 O LYS A 55 0.971 -1.773 -5.543 1.00 0.00 O ATOM 893 CB LYS A 55 3.719 -0.821 -7.120 1.00 0.00 C ATOM 894 CG LYS A 55 4.085 -0.793 -8.597 1.00 0.00 C ATOM 895 CD LYS A 55 3.537 -2.007 -9.332 1.00 0.00 C ATOM 896 CE LYS A 55 3.269 -1.698 -10.795 1.00 0.00 C ATOM 897 NZ LYS A 55 3.129 -2.938 -11.609 1.00 0.00 N ATOM 0 H LYS A 55 3.268 1.589 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 55 1.649 -0.569 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.451 -0.237 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.786 -1.847 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.693 0.116 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.169 -0.761 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.247 -2.830 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.615 -2.337 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.359 -1.104 -10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.083 -1.093 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.582 -2.729 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.072 -3.287 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.635 -3.665 -11.053 1.00 0.00 H new ATOM 911 N LEU A 56 2.276 -0.345 -4.397 1.00 0.00 N ATOM 912 CA LEU A 56 1.864 -0.832 -3.083 1.00 0.00 C ATOM 913 C LEU A 56 0.375 -0.616 -2.850 1.00 0.00 C ATOM 914 O LEU A 56 -0.319 -1.517 -2.384 1.00 0.00 O ATOM 915 CB LEU A 56 2.653 -0.135 -1.986 1.00 0.00 C ATOM 916 CG LEU A 56 2.709 -0.887 -0.656 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.851 -1.891 -0.662 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.855 0.087 0.504 1.00 0.00 C ATOM 0 H LEU A 56 2.949 0.421 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 56 2.067 -1.903 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.672 0.027 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.216 0.848 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 56 1.774 -1.431 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.877 -2.418 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.701 -2.608 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.795 -1.367 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.893 -0.467 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.774 0.661 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.003 0.766 0.518 1.00 0.00 H new ATOM 930 N ILE A 57 -0.105 0.586 -3.167 1.00 0.00 N ATOM 931 CA ILE A 57 -1.516 0.908 -3.001 1.00 0.00 C ATOM 932 C ILE A 57 -2.369 0.048 -3.933 1.00 0.00 C ATOM 933 O ILE A 57 -3.527 -0.255 -3.642 1.00 0.00 O ATOM 934 CB ILE A 57 -1.792 2.406 -3.268 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.882 3.277 -2.400 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.251 2.739 -2.996 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.661 4.665 -2.960 1.00 0.00 C ATOM 0 H ILE A 57 0.462 1.348 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.784 0.695 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.580 2.612 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.315 3.361 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.082 2.782 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.425 3.797 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.888 2.141 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.487 2.517 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.007 5.226 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.199 4.591 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.618 5.179 -3.046 1.00 0.00 H new ATOM 949 N ASP A 58 -1.773 -0.359 -5.049 1.00 0.00 N ATOM 950 CA ASP A 58 -2.451 -1.200 -6.025 1.00 0.00 C ATOM 951 C ASP A 58 -2.439 -2.659 -5.577 1.00 0.00 C ATOM 952 O ASP A 58 -3.286 -3.446 -5.987 1.00 0.00 O ATOM 953 CB ASP A 58 -1.779 -1.071 -7.396 1.00 0.00 C ATOM 954 CG ASP A 58 -2.582 -0.218 -8.359 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.598 1.020 -8.186 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.192 -0.787 -9.287 1.00 0.00 O ATOM 0 H ASP A 58 -0.814 -0.117 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.486 -0.866 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.787 -0.637 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.641 -2.064 -7.824 1.00 0.00 H new ATOM 961 N PHE A 59 -1.476 -3.013 -4.722 1.00 0.00 N ATOM 962 CA PHE A 59 -1.357 -4.382 -4.228 1.00 0.00 C ATOM 963 C PHE A 59 -2.261 -4.630 -3.019 1.00 0.00 C ATOM 964 O PHE A 59 -2.551 -5.775 -2.684 1.00 0.00 O ATOM 965 CB PHE A 59 0.099 -4.700 -3.861 1.00 0.00 C ATOM 966 CG PHE A 59 1.019 -4.810 -5.048 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.557 -5.289 -6.265 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.347 -4.422 -4.946 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.401 -5.379 -7.354 1.00 0.00 C ATOM 970 CE2 PHE A 59 3.194 -4.509 -6.036 1.00 0.00 C ATOM 971 CZ PHE A 59 2.719 -4.987 -7.240 1.00 0.00 C ATOM 0 H PHE A 59 -0.771 -2.371 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.679 -5.043 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.473 -3.923 -3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.127 -5.637 -3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.474 -5.595 -6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.724 -4.048 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.029 -5.756 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.226 -4.203 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.378 -5.054 -8.093 1.00 0.00 H new ATOM 981 N ILE A 60 -2.702 -3.562 -2.362 1.00 0.00 N ATOM 982 CA ILE A 60 -3.570 -3.702 -1.193 1.00 0.00 C ATOM 983 C ILE A 60 -5.046 -3.536 -1.555 1.00 0.00 C ATOM 984 O ILE A 60 -5.918 -4.128 -0.924 1.00 0.00 O ATOM 985 CB ILE A 60 -3.205 -2.696 -0.077 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.051 -1.278 -0.634 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.925 -3.125 0.616 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.223 -0.371 -0.328 1.00 0.00 C ATOM 0 H ILE A 60 -2.477 -2.599 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.409 -4.714 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.020 -2.688 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.143 -0.834 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.920 -1.334 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.678 -2.409 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.063 -4.112 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.113 -3.162 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.041 0.615 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.131 -0.791 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.343 -0.283 0.752 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.321 -2.740 -2.582 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.695 -2.491 -3.005 1.00 0.00 C ATOM 1002 C LEU A 61 -7.180 -3.537 -4.005 1.00 0.00 C ATOM 1003 O LEU A 61 -8.364 -3.583 -4.338 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.815 -1.096 -3.616 1.00 0.00 C ATOM 1005 CG LEU A 61 -8.186 -0.441 -3.459 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.302 0.236 -2.103 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.424 0.559 -4.576 1.00 0.00 C ATOM 0 H LEU A 61 -4.614 -2.257 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.326 -2.557 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.065 -0.450 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.578 -1.159 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.949 -1.217 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.285 0.697 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.172 -0.505 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.532 1.002 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.405 1.018 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.655 1.331 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.383 0.047 -5.537 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.267 -4.378 -4.477 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.611 -5.403 -5.454 1.00 0.00 C ATOM 1021 C LYS A 62 -6.978 -6.729 -4.798 1.00 0.00 C ATOM 1022 O LYS A 62 -7.739 -7.514 -5.362 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.446 -5.617 -6.410 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.878 -5.935 -7.827 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.681 -6.099 -8.742 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.107 -6.447 -10.156 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.937 -6.612 -11.060 1.00 0.00 N ATOM 0 H LYS A 62 -5.285 -4.370 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.487 -5.049 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.825 -4.721 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.825 -6.431 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.471 -6.850 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.519 -5.137 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.100 -5.177 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.029 -6.882 -8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.690 -7.368 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.758 -5.663 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.268 -6.849 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.395 -5.725 -11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.329 -7.377 -10.705 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.440 -6.980 -3.612 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.713 -8.230 -2.917 1.00 0.00 C ATOM 1043 C LEU A 63 -7.938 -8.108 -2.013 1.00 0.00 C ATOM 1044 O LEU A 63 -8.524 -7.033 -1.881 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.481 -8.674 -2.125 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.431 -9.428 -2.952 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.625 -8.468 -3.811 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -3.505 -10.226 -2.049 1.00 0.00 C ATOM 0 H LEU A 63 -5.818 -6.342 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.937 -8.994 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.013 -7.795 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.804 -9.312 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.958 -10.120 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.888 -9.027 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.293 -7.940 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.115 -7.748 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.769 -10.752 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.993 -9.550 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.088 -10.949 -1.478 1.00 0.00 H new ATOM 1060 N SER A 64 -8.317 -9.222 -1.394 1.00 0.00 N ATOM 1061 CA SER A 64 -9.490 -9.265 -0.524 1.00 0.00 C ATOM 1062 C SER A 64 -9.237 -8.564 0.817 1.00 0.00 C ATOM 1063 O SER A 64 -8.093 -8.316 1.194 1.00 0.00 O ATOM 1064 CB SER A 64 -9.909 -10.722 -0.303 1.00 0.00 C ATOM 1065 OG SER A 64 -8.826 -11.505 0.164 1.00 0.00 O ATOM 0 H SER A 64 -7.826 -10.112 -1.479 1.00 0.00 H new ATOM 0 HA SER A 64 -10.298 -8.724 -1.016 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.726 -10.762 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.286 -11.140 -1.237 1.00 0.00 H new ATOM 0 HG SER A 64 -9.124 -12.429 0.297 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.324 -8.222 1.544 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.245 -7.547 2.854 1.00 0.00 C ATOM 1073 C PRO A 65 -9.415 -8.308 3.899 1.00 0.00 C ATOM 1074 O PRO A 65 -8.869 -7.702 4.820 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.709 -7.461 3.298 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.500 -7.544 2.040 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.724 -8.441 1.128 1.00 0.00 C ATOM 0 HA PRO A 65 -9.742 -6.584 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.963 -8.274 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.907 -6.529 3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.495 -7.946 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.634 -6.557 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.019 -9.484 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.878 -8.180 0.081 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.340 -9.630 3.768 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.576 -10.453 4.704 1.00 0.00 C ATOM 1087 C ALA A 66 -7.070 -10.255 4.522 1.00 0.00 C ATOM 1088 O ALA A 66 -6.286 -10.486 5.444 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.943 -11.918 4.524 1.00 0.00 C ATOM 0 H ALA A 66 -9.799 -10.155 3.023 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.830 -10.140 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.370 -12.525 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.008 -12.052 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.715 -12.228 3.504 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.679 -9.823 3.326 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.273 -9.592 2.998 1.00 0.00 C ATOM 1097 C ASP A 67 -4.742 -8.303 3.626 1.00 0.00 C ATOM 1098 O ASP A 67 -3.621 -8.270 4.135 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.104 -9.548 1.479 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.050 -10.938 0.879 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.149 -11.715 1.258 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -5.910 -11.252 0.031 1.00 0.00 O ATOM 0 H ASP A 67 -7.323 -9.624 2.560 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.691 -10.416 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.932 -8.993 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.190 -9.009 1.230 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.554 -7.247 3.594 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.159 -5.954 4.154 1.00 0.00 C ATOM 1109 C VAL A 68 -5.153 -5.976 5.683 1.00 0.00 C ATOM 1110 O VAL A 68 -4.384 -5.248 6.308 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.055 -4.789 3.669 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.688 -4.382 2.252 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.532 -5.142 3.758 1.00 0.00 C ATOM 0 H VAL A 68 -6.489 -7.261 3.187 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.146 -5.780 3.790 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.877 -3.942 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.330 -3.562 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.647 -4.060 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.823 -5.232 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.129 -4.300 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.736 -6.014 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.791 -5.366 4.793 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.032 -6.792 6.274 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.154 -6.906 7.733 1.00 0.00 C ATOM 1125 C GLN A 69 -4.803 -7.139 8.423 1.00 0.00 C ATOM 1126 O GLN A 69 -4.554 -6.599 9.500 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.116 -8.041 8.095 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.866 -7.809 9.397 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.057 -6.888 9.225 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.147 -7.325 8.862 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.853 -5.601 9.483 1.00 0.00 N ATOM 0 H GLN A 69 -6.677 -7.390 5.758 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.545 -5.954 8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.837 -8.167 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.555 -8.972 8.169 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.205 -8.766 9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.185 -7.383 10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.932 -5.281 9.782 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.617 -4.933 9.382 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.939 -7.930 7.792 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.622 -8.236 8.347 1.00 0.00 C ATOM 1142 C ALA A 70 -1.689 -7.028 8.268 1.00 0.00 C ATOM 1143 O ALA A 70 -0.827 -6.843 9.127 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.016 -9.425 7.615 1.00 0.00 C ATOM 0 H ALA A 70 -4.128 -8.372 6.893 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.746 -8.488 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.034 -9.648 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.665 -10.293 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.914 -9.187 6.556 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.879 -6.210 7.233 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.063 -5.014 7.021 1.00 0.00 C ATOM 1152 C ARG A 71 -1.412 -3.924 8.028 1.00 0.00 C ATOM 1153 O ARG A 71 -0.541 -3.180 8.472 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.274 -4.477 5.607 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.727 -5.380 4.516 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.164 -4.571 3.362 1.00 0.00 C ATOM 1157 NE ARG A 71 1.118 -3.953 3.700 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.682 -2.978 2.991 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.082 -2.508 1.907 1.00 0.00 N ATOM 1160 NH2 ARG A 71 2.852 -2.478 3.363 1.00 0.00 N ATOM 0 H ARG A 71 -2.597 -6.355 6.523 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.019 -5.296 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.341 -4.329 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.800 -3.499 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.052 -6.021 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.519 -6.035 4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.037 -5.218 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.877 -3.796 3.081 1.00 0.00 H new ATOM 0 HE ARG A 71 1.609 -4.289 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.185 -2.893 1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.518 -1.761 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.321 -2.841 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.283 -1.731 2.819 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.693 -3.833 8.376 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.164 -2.836 9.334 1.00 0.00 C ATOM 1176 C ILE A 72 -2.625 -3.142 10.734 1.00 0.00 C ATOM 1177 O ILE A 72 -2.419 -2.239 11.548 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.713 -2.779 9.360 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.254 -2.424 7.975 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.213 -1.769 10.383 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.482 -3.213 7.581 1.00 0.00 C ATOM 0 H ILE A 72 -3.426 -4.440 8.008 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.790 -1.862 9.017 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.077 -3.765 9.648 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.493 -1.361 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.472 -2.593 7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.303 -1.753 10.376 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.860 -2.051 11.375 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.834 -0.778 10.131 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.808 -2.907 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.244 -4.277 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.281 -3.025 8.299 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.382 -4.428 10.992 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.858 -4.873 12.281 1.00 0.00 C ATOM 1195 C ASN A 73 -0.399 -4.458 12.463 1.00 0.00 C ATOM 1196 O ASN A 73 -0.020 -3.953 13.520 1.00 0.00 O ATOM 1197 CB ASN A 73 -1.978 -6.395 12.409 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.261 -6.826 13.093 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.334 -6.884 14.320 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.280 -7.135 12.301 1.00 0.00 N ATOM 0 H ASN A 73 -2.541 -5.181 10.322 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.452 -4.395 13.060 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.932 -6.844 11.417 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.126 -6.776 12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.167 -7.435 12.705 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.176 -7.073 11.288 1.00 0.00 H new ATOM 1207 N VAL A 74 0.421 -4.678 11.433 1.00 0.00 N ATOM 1208 CA VAL A 74 1.837 -4.321 11.503 1.00 0.00 C ATOM 1209 C VAL A 74 2.037 -2.812 11.392 1.00 0.00 C ATOM 1210 O VAL A 74 2.904 -2.255 12.054 1.00 0.00 O ATOM 1211 CB VAL A 74 2.682 -5.031 10.419 1.00 0.00 C ATOM 1212 CG1 VAL A 74 3.010 -6.454 10.842 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.975 -5.021 9.074 1.00 0.00 C ATOM 0 H VAL A 74 0.132 -5.097 10.549 1.00 0.00 H new ATOM 0 HA VAL A 74 2.183 -4.660 12.479 1.00 0.00 H new ATOM 0 HB VAL A 74 3.616 -4.479 10.309 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.605 -6.936 10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.575 -6.435 11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.085 -7.012 10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.594 -5.527 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.019 -5.537 9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.804 -3.991 8.761 1.00 0.00 H new ATOM 1223 N LEU A 75 1.222 -2.158 10.564 1.00 0.00 N ATOM 1224 CA LEU A 75 1.310 -0.709 10.365 1.00 0.00 C ATOM 1225 C LEU A 75 1.114 0.047 11.673 1.00 0.00 C ATOM 1226 O LEU A 75 1.755 1.071 11.911 1.00 0.00 O ATOM 1227 CB LEU A 75 0.263 -0.254 9.346 1.00 0.00 C ATOM 1228 CG LEU A 75 0.744 0.796 8.347 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.790 0.207 7.419 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.424 1.348 7.549 1.00 0.00 C ATOM 0 H LEU A 75 0.489 -2.611 10.017 1.00 0.00 H new ATOM 0 HA LEU A 75 2.308 -0.486 9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.086 -1.126 8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.596 0.146 9.885 1.00 0.00 H new ATOM 0 HG LEU A 75 1.199 1.616 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.121 0.969 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.641 -0.141 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.360 -0.631 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.061 2.095 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.908 0.537 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.142 1.809 8.227 1.00 0.00 H new ATOM 1242 N ARG A 76 0.239 -0.478 12.522 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.059 0.132 13.804 1.00 0.00 C ATOM 1244 C ARG A 76 1.132 0.068 14.763 1.00 0.00 C ATOM 1245 O ARG A 76 1.433 1.042 15.452 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.264 -0.572 14.424 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.171 0.353 15.206 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.214 0.998 14.309 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.311 0.081 14.008 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.474 0.457 13.481 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.701 1.731 13.187 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.415 -0.449 13.252 1.00 0.00 N ATOM 0 H ARG A 76 -0.281 -1.336 12.338 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.281 1.186 13.634 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.842 -1.050 13.633 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.911 -1.364 15.084 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.667 -0.207 15.999 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.575 1.128 15.688 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.609 1.891 14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.745 1.321 13.380 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.177 -0.909 14.215 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.981 2.431 13.365 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.595 2.010 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.246 -1.429 13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.308 -0.166 12.848 1.00 0.00 H new ATOM 1266 N ALA A 77 1.812 -1.073 14.791 1.00 0.00 N ATOM 1267 CA ALA A 77 2.948 -1.267 15.690 1.00 0.00 C ATOM 1268 C ALA A 77 4.274 -0.781 15.097 1.00 0.00 C ATOM 1269 O ALA A 77 5.240 -0.573 15.832 1.00 0.00 O ATOM 1270 CB ALA A 77 3.049 -2.732 16.080 1.00 0.00 C ATOM 0 H ALA A 77 1.598 -1.878 14.203 1.00 0.00 H new ATOM 0 HA ALA A 77 2.764 -0.657 16.574 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.897 -2.872 16.750 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.133 -3.038 16.585 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.190 -3.338 15.185 1.00 0.00 H new ATOM 1276 N HIS A 78 4.326 -0.597 13.779 1.00 0.00 N ATOM 1277 CA HIS A 78 5.556 -0.151 13.119 1.00 0.00 C ATOM 1278 C HIS A 78 5.742 1.363 13.214 1.00 0.00 C ATOM 1279 O HIS A 78 6.821 1.880 12.919 1.00 0.00 O ATOM 1280 CB HIS A 78 5.574 -0.595 11.650 1.00 0.00 C ATOM 1281 CG HIS A 78 6.107 -1.986 11.455 1.00 0.00 C ATOM 1282 ND1 HIS A 78 5.636 -3.078 12.154 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.080 -2.459 10.638 1.00 0.00 C ATOM 1284 CE1 HIS A 78 6.296 -4.160 11.780 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.176 -3.812 10.862 1.00 0.00 N ATOM 0 H HIS A 78 3.538 -0.748 13.149 1.00 0.00 H new ATOM 0 HA HIS A 78 6.389 -0.619 13.644 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.562 -0.542 11.249 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.182 0.103 11.074 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.669 -1.881 9.942 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.141 -5.159 12.161 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.824 -4.445 10.393 1.00 0.00 H new ATOM 1294 N GLY A 79 4.694 2.072 13.627 1.00 0.00 N ATOM 1295 CA GLY A 79 4.781 3.518 13.759 1.00 0.00 C ATOM 1296 C GLY A 79 4.060 4.257 12.650 1.00 0.00 C ATOM 1297 O GLY A 79 3.995 5.487 12.656 1.00 0.00 O ATOM 0 H GLY A 79 3.788 1.673 13.872 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.361 3.816 14.720 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.830 3.815 13.764 1.00 0.00 H new ATOM 1301 N TYR A 80 3.510 3.508 11.701 1.00 0.00 N ATOM 1302 CA TYR A 80 2.788 4.093 10.575 1.00 0.00 C ATOM 1303 C TYR A 80 1.281 4.055 10.836 1.00 0.00 C ATOM 1304 O TYR A 80 0.496 3.589 10.012 1.00 0.00 O ATOM 1305 CB TYR A 80 3.154 3.347 9.290 1.00 0.00 C ATOM 1306 CG TYR A 80 4.634 3.400 8.976 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.215 4.555 8.466 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.452 2.298 9.198 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.566 4.609 8.185 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.803 2.347 8.918 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.354 3.504 8.413 1.00 0.00 C ATOM 1312 OH TYR A 80 8.698 3.555 8.135 1.00 0.00 O ATOM 0 H TYR A 80 3.550 2.489 11.689 1.00 0.00 H new ATOM 0 HA TYR A 80 3.076 5.138 10.458 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.844 2.306 9.380 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.596 3.774 8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.600 5.424 8.287 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.024 1.390 9.596 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.002 5.514 7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.425 1.482 9.094 1.00 0.00 H new ATOM 0 HH TYR A 80 8.863 4.223 7.437 1.00 0.00 H new ATOM 1322 N GLN A 81 0.905 4.567 12.005 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.488 4.607 12.456 1.00 0.00 C ATOM 1324 C GLN A 81 -1.339 5.586 11.646 1.00 0.00 C ATOM 1325 O GLN A 81 -2.504 5.306 11.362 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.545 4.988 13.935 1.00 0.00 C ATOM 1327 CG GLN A 81 -0.075 3.887 14.870 1.00 0.00 C ATOM 1328 CD GLN A 81 -0.006 4.343 16.314 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.976 4.224 17.062 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.146 4.868 16.716 1.00 0.00 N ATOM 0 H GLN A 81 1.562 4.970 12.673 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.901 3.610 12.305 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.068 5.875 14.096 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.569 5.257 14.192 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.751 3.036 14.793 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.909 3.542 14.554 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.925 4.948 16.063 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.251 5.191 17.678 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.759 6.736 11.294 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.470 7.751 10.514 1.00 0.00 C ATOM 1341 C ALA A 82 -1.900 7.190 9.164 1.00 0.00 C ATOM 1342 O ALA A 82 -2.960 7.531 8.640 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.589 8.979 10.323 1.00 0.00 C ATOM 0 H ALA A 82 0.199 6.987 11.536 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.366 8.043 11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.128 9.727 9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.328 9.395 11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.321 8.695 9.794 1.00 0.00 H new ATOM 1349 N LEU A 83 -1.056 6.325 8.616 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.315 5.683 7.338 1.00 0.00 C ATOM 1351 C LEU A 83 -2.392 4.606 7.473 1.00 0.00 C ATOM 1352 O LEU A 83 -3.190 4.393 6.560 1.00 0.00 O ATOM 1353 CB LEU A 83 -0.017 5.071 6.812 1.00 0.00 C ATOM 1354 CG LEU A 83 0.883 6.044 6.050 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.323 5.559 6.061 1.00 0.00 C ATOM 1356 CD2 LEU A 83 0.388 6.223 4.625 1.00 0.00 C ATOM 0 H LEU A 83 -0.173 6.050 9.047 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.680 6.431 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.543 4.661 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.264 4.236 6.156 1.00 0.00 H new ATOM 0 HG LEU A 83 0.845 7.012 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.949 6.264 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.674 5.485 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.381 4.579 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.041 6.919 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.395 5.260 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.628 6.618 4.640 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.413 3.948 8.633 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.372 2.880 8.910 1.00 0.00 C ATOM 1370 C ALA A 84 -4.800 3.408 9.056 1.00 0.00 C ATOM 1371 O ALA A 84 -5.757 2.654 8.907 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.958 2.120 10.164 1.00 0.00 C ATOM 0 H ALA A 84 -1.770 4.139 9.401 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.365 2.204 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.678 1.326 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.970 1.685 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.930 2.805 11.012 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.937 4.701 9.341 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.252 5.314 9.503 1.00 0.00 C ATOM 1380 C ASP A 85 -6.845 5.732 8.158 1.00 0.00 C ATOM 1381 O ASP A 85 -8.064 5.801 8.004 1.00 0.00 O ATOM 1382 CB ASP A 85 -6.158 6.531 10.426 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.446 6.783 11.185 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.645 6.148 12.242 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -8.258 7.612 10.722 1.00 0.00 O ATOM 0 H ASP A 85 -4.154 5.343 9.464 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.911 4.569 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.344 6.383 11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.909 7.413 9.836 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.977 5.999 7.186 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.418 6.424 5.861 1.00 0.00 C ATOM 1392 C LYS A 86 -6.941 5.255 5.027 1.00 0.00 C ATOM 1393 O LYS A 86 -8.006 5.352 4.419 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.276 7.127 5.124 1.00 0.00 C ATOM 1395 CG LYS A 86 -5.002 8.534 5.633 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.889 9.210 4.849 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.617 10.616 5.361 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.536 11.293 4.589 1.00 0.00 N ATOM 0 H LYS A 86 -4.965 5.929 7.291 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.244 7.122 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.369 6.530 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.514 7.173 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.912 9.130 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.731 8.493 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.979 8.614 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.160 9.253 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.531 11.207 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.337 10.571 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.383 12.248 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.657 10.743 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.814 11.360 3.589 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.195 4.151 4.999 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.600 2.982 4.218 1.00 0.00 C ATOM 1414 C LEU A 87 -7.766 2.233 4.867 1.00 0.00 C ATOM 1415 O LEU A 87 -8.611 1.680 4.166 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.415 2.031 3.998 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.566 1.724 5.236 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.021 0.429 5.890 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.096 1.634 4.861 1.00 0.00 C ATOM 0 H LEU A 87 -5.315 4.041 5.503 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.941 3.350 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.797 1.091 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.767 2.460 3.234 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.696 2.537 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.406 0.229 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.064 0.521 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.920 -0.392 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.506 1.415 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.955 0.839 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.771 2.583 4.434 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.810 2.215 6.200 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.874 1.519 6.926 1.00 0.00 C ATOM 1433 C ASN A 88 -10.216 2.229 6.775 1.00 0.00 C ATOM 1434 O ASN A 88 -11.260 1.582 6.680 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.519 1.398 8.409 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.158 0.187 9.060 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.262 0.263 9.597 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.461 -0.941 9.016 1.00 0.00 N ATOM 0 H ASN A 88 -7.123 2.673 6.798 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.966 0.523 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.436 1.336 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.840 2.299 8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.837 -1.790 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.549 -0.959 8.560 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.184 3.559 6.748 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.404 4.348 6.620 1.00 0.00 C ATOM 1447 C LYS A 89 -11.948 4.301 5.199 1.00 0.00 C ATOM 1448 O LYS A 89 -13.160 4.245 4.996 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.154 5.797 7.040 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.382 6.474 7.619 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.509 6.203 9.108 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.705 6.925 9.707 1.00 0.00 C ATOM 1453 NZ LYS A 89 -13.834 6.666 11.167 1.00 0.00 N ATOM 0 H LYS A 89 -9.329 4.111 6.813 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.151 3.911 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.352 5.821 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.808 6.364 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.323 7.549 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.274 6.117 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.609 5.131 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.599 6.522 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.605 7.997 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.615 6.604 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.661 7.176 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.954 5.646 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.977 6.995 11.655 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.048 4.326 4.218 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.442 4.270 2.815 1.00 0.00 C ATOM 1469 C TYR A 90 -12.004 2.894 2.478 1.00 0.00 C ATOM 1470 O TYR A 90 -12.837 2.745 1.585 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.239 4.575 1.920 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.616 5.052 0.537 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.877 6.394 0.292 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.706 4.161 -0.523 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.220 6.833 -0.971 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -11.047 4.592 -1.790 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.304 5.928 -2.009 1.00 0.00 C ATOM 1478 OH TYR A 90 -11.641 6.364 -3.268 1.00 0.00 O ATOM 0 H TYR A 90 -10.041 4.385 4.371 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.215 5.018 2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.623 5.335 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.627 3.677 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.811 7.105 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.506 3.113 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.422 7.880 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.112 3.886 -2.605 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.655 5.603 -3.885 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.541 1.898 3.221 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.965 0.520 3.034 1.00 0.00 C ATOM 1490 C LEU A 91 -13.403 0.308 3.511 1.00 0.00 C ATOM 1491 O LEU A 91 -14.172 -0.417 2.883 1.00 0.00 O ATOM 1492 CB LEU A 91 -11.011 -0.396 3.795 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.427 -1.858 3.883 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.727 -2.671 2.807 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -11.106 -2.398 5.266 1.00 0.00 C ATOM 0 H LEU A 91 -10.861 2.024 3.970 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.939 0.283 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.031 -0.344 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.895 -0.009 4.807 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.502 -1.937 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.034 -3.714 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.997 -2.283 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.648 -2.600 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.405 -3.445 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.035 -2.315 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.648 -1.822 6.016 1.00 0.00 H new ATOM 1507 N THR A 92 -13.757 0.948 4.622 1.00 0.00 N ATOM 1508 CA THR A 92 -15.100 0.829 5.182 1.00 0.00 C ATOM 1509 C THR A 92 -15.967 2.031 4.815 1.00 0.00 C ATOM 1510 O THR A 92 -17.025 2.249 5.411 1.00 0.00 O ATOM 1511 CB THR A 92 -15.068 0.672 6.715 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.888 -0.036 7.115 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.305 -0.074 7.201 1.00 0.00 C ATOM 0 H THR A 92 -13.132 1.555 5.153 1.00 0.00 H new ATOM 0 HA THR A 92 -15.537 -0.070 4.748 1.00 0.00 H new ATOM 0 HB THR A 92 -15.058 1.666 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 92 -13.106 0.546 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.266 -0.176 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.199 0.483 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.336 -1.063 6.745 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.503 2.817 3.841 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.232 3.999 3.385 1.00 0.00 C ATOM 1523 C LEU A 93 -17.680 3.655 3.049 1.00 0.00 C ATOM 1524 O LEU A 93 -18.602 4.377 3.428 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.551 4.606 2.158 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.815 6.097 1.946 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.871 6.931 2.797 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.671 6.461 0.477 1.00 0.00 C ATOM 0 H LEU A 93 -14.623 2.654 3.352 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.226 4.727 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.475 4.451 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.881 4.064 1.272 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.838 6.312 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.073 7.990 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.022 6.691 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.840 6.711 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.863 7.526 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.660 6.230 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.387 5.888 -0.112 1.00 0.00 H new