USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=11 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 Set 1.1: A 88 ASN : amide:sc= 0 X(o=-0.14,f=-0.16) USER MOD Set 1.2: A 92 THR OG1 : rot 73:sc= -0.144 USER MOD Single : A 19 ASN : amide:sc= 0.41 X(o=0.41,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 0.657 (180deg=-0.0364) USER MOD Single : A 36 THR OG1 : rot -91:sc= 0.283 USER MOD Single : A 41 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.01) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 52 GLN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -0.914 (180deg=-3.4!) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= 0.239 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 73 ASN : amide:sc= 0.844 K(o=0.84,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0603 X(o=-0.06,f=-0.12) USER MOD Single : A 80 TYR OH : rot -130:sc= -0.666 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00213) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.781 11.333 -4.449 1.00 0.00 N ATOM 118 CA PHE A 8 -9.064 11.357 -3.169 1.00 0.00 C ATOM 119 C PHE A 8 -7.759 10.554 -3.203 1.00 0.00 C ATOM 120 O PHE A 8 -6.887 10.747 -2.353 1.00 0.00 O ATOM 121 CB PHE A 8 -9.966 10.813 -2.056 1.00 0.00 C ATOM 122 CG PHE A 8 -11.098 11.730 -1.693 1.00 0.00 C ATOM 123 CD1 PHE A 8 -10.939 12.694 -0.712 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.320 11.627 -2.336 1.00 0.00 C ATOM 125 CE1 PHE A 8 -11.979 13.541 -0.381 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.363 12.472 -2.011 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.192 13.430 -1.031 1.00 0.00 C ATOM 0 HA PHE A 8 -8.802 12.397 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.375 9.852 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.361 10.628 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.992 12.785 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.459 10.877 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.843 14.289 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.310 12.384 -2.522 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.006 14.091 -0.773 1.00 0.00 H new ATOM 137 N LEU A 9 -7.623 9.663 -4.182 1.00 0.00 N ATOM 138 CA LEU A 9 -6.430 8.818 -4.294 1.00 0.00 C ATOM 139 C LEU A 9 -5.188 9.567 -4.825 1.00 0.00 C ATOM 140 O LEU A 9 -4.105 9.420 -4.257 1.00 0.00 O ATOM 141 CB LEU A 9 -6.721 7.592 -5.167 1.00 0.00 C ATOM 142 CG LEU A 9 -7.023 6.300 -4.395 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.009 5.435 -5.163 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.744 5.521 -4.120 1.00 0.00 C ATOM 0 H LEU A 9 -8.321 9.505 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.188 8.501 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.570 7.818 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.864 7.417 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.471 6.576 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.210 4.524 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.939 5.985 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.586 5.175 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.984 4.610 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.266 5.261 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.065 6.134 -3.526 1.00 0.00 H new ATOM 156 N PRO A 10 -5.297 10.366 -5.917 1.00 0.00 N ATOM 157 CA PRO A 10 -4.145 11.100 -6.475 1.00 0.00 C ATOM 158 C PRO A 10 -3.652 12.244 -5.580 1.00 0.00 C ATOM 159 O PRO A 10 -2.595 12.822 -5.837 1.00 0.00 O ATOM 160 CB PRO A 10 -4.673 11.661 -7.807 1.00 0.00 C ATOM 161 CG PRO A 10 -5.961 10.956 -8.058 1.00 0.00 C ATOM 162 CD PRO A 10 -6.512 10.609 -6.711 1.00 0.00 C ATOM 0 HA PRO A 10 -3.283 10.441 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.822 12.739 -7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.964 11.482 -8.616 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.653 11.592 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.804 10.060 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.111 11.420 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.153 9.728 -6.750 1.00 0.00 H new ATOM 170 N GLU A 11 -4.412 12.564 -4.535 1.00 0.00 N ATOM 171 CA GLU A 11 -4.042 13.642 -3.618 1.00 0.00 C ATOM 172 C GLU A 11 -3.123 13.137 -2.504 1.00 0.00 C ATOM 173 O GLU A 11 -2.143 13.793 -2.148 1.00 0.00 O ATOM 174 CB GLU A 11 -5.299 14.272 -3.018 1.00 0.00 C ATOM 175 CG GLU A 11 -6.036 15.193 -3.978 1.00 0.00 C ATOM 176 CD GLU A 11 -7.079 16.041 -3.279 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.150 15.498 -2.935 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.824 17.246 -3.071 1.00 0.00 O ATOM 0 H GLU A 11 -5.286 12.094 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.496 14.395 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.975 13.479 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.023 14.836 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.318 15.844 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.517 14.596 -4.753 1.00 0.00 H new ATOM 185 N ILE A 12 -3.446 11.963 -1.963 1.00 0.00 N ATOM 186 CA ILE A 12 -2.656 11.359 -0.891 1.00 0.00 C ATOM 187 C ILE A 12 -1.347 10.770 -1.417 1.00 0.00 C ATOM 188 O ILE A 12 -0.362 10.688 -0.686 1.00 0.00 O ATOM 189 CB ILE A 12 -3.443 10.262 -0.133 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.145 9.310 -1.104 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.456 10.895 0.808 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.426 7.991 -1.291 1.00 0.00 C ATOM 0 H ILE A 12 -4.253 11.409 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.428 12.166 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.730 9.681 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.154 9.115 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.243 9.801 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.002 10.112 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.937 11.525 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.156 11.503 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.983 7.369 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.426 8.174 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.351 7.478 -0.332 1.00 0.00 H new ATOM 204 N LEU A 13 -1.369 10.335 -2.682 1.00 0.00 N ATOM 205 CA LEU A 13 -0.206 9.726 -3.339 1.00 0.00 C ATOM 206 C LEU A 13 1.080 10.540 -3.148 1.00 0.00 C ATOM 207 O LEU A 13 2.147 9.973 -2.936 1.00 0.00 O ATOM 208 CB LEU A 13 -0.484 9.552 -4.835 1.00 0.00 C ATOM 209 CG LEU A 13 0.335 8.456 -5.524 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.385 7.122 -5.435 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.602 8.819 -6.977 1.00 0.00 C ATOM 0 H LEU A 13 -2.194 10.395 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.048 8.756 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.543 9.331 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.290 10.500 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 13 1.293 8.369 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.210 6.354 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.526 6.854 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.356 7.199 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.185 8.028 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.346 8.934 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.158 9.755 -7.022 1.00 0.00 H new ATOM 223 N ALA A 14 0.972 11.865 -3.219 1.00 0.00 N ATOM 224 CA ALA A 14 2.131 12.742 -3.060 1.00 0.00 C ATOM 225 C ALA A 14 2.718 12.658 -1.650 1.00 0.00 C ATOM 226 O ALA A 14 3.936 12.593 -1.478 1.00 0.00 O ATOM 227 CB ALA A 14 1.745 14.177 -3.387 1.00 0.00 C ATOM 0 H ALA A 14 0.093 12.356 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 14 2.901 12.407 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.614 14.824 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.391 14.233 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.953 14.503 -2.713 1.00 0.00 H new ATOM 233 N GLU A 15 1.840 12.650 -0.648 1.00 0.00 N ATOM 234 CA GLU A 15 2.258 12.589 0.753 1.00 0.00 C ATOM 235 C GLU A 15 2.741 11.197 1.179 1.00 0.00 C ATOM 236 O GLU A 15 3.323 11.050 2.252 1.00 0.00 O ATOM 237 CB GLU A 15 1.107 13.020 1.664 1.00 0.00 C ATOM 238 CG GLU A 15 0.835 14.515 1.650 1.00 0.00 C ATOM 239 CD GLU A 15 -0.314 14.900 2.560 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.473 14.874 2.094 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.057 15.222 3.739 1.00 0.00 O ATOM 0 H GLU A 15 0.829 12.685 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 15 3.102 13.271 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.202 12.493 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.330 12.711 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.734 15.048 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.610 14.831 0.631 1.00 0.00 H new ATOM 248 N ILE A 16 2.510 10.174 0.354 1.00 0.00 N ATOM 249 CA ILE A 16 2.931 8.817 0.712 1.00 0.00 C ATOM 250 C ILE A 16 4.304 8.457 0.135 1.00 0.00 C ATOM 251 O ILE A 16 5.039 7.682 0.738 1.00 0.00 O ATOM 252 CB ILE A 16 1.887 7.742 0.301 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.168 6.425 1.029 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.882 7.518 -1.204 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.921 5.666 1.422 1.00 0.00 C ATOM 0 H ILE A 16 2.043 10.255 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 16 3.008 8.818 1.799 1.00 0.00 H new ATOM 0 HB ILE A 16 0.901 8.107 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.781 5.791 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.752 6.634 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.140 6.760 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.634 8.451 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.868 7.182 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.202 4.745 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.316 6.281 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.345 5.425 0.529 1.00 0.00 H new ATOM 267 N ILE A 17 4.662 9.022 -1.019 1.00 0.00 N ATOM 268 CA ILE A 17 5.957 8.719 -1.635 1.00 0.00 C ATOM 269 C ILE A 17 7.123 9.232 -0.785 1.00 0.00 C ATOM 270 O ILE A 17 8.170 8.589 -0.703 1.00 0.00 O ATOM 271 CB ILE A 17 6.074 9.309 -3.061 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.888 8.872 -3.923 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.381 8.876 -3.715 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.590 9.811 -5.073 1.00 0.00 C ATOM 0 H ILE A 17 4.085 9.682 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 17 6.012 7.632 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 17 6.066 10.396 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.087 7.877 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.002 8.792 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.445 9.301 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.221 9.229 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.413 7.788 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.737 9.435 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.358 10.802 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.460 9.873 -5.727 1.00 0.00 H new ATOM 286 N ALA A 18 6.926 10.376 -0.134 1.00 0.00 N ATOM 287 CA ALA A 18 7.970 10.980 0.689 1.00 0.00 C ATOM 288 C ALA A 18 7.920 10.512 2.147 1.00 0.00 C ATOM 289 O ALA A 18 8.831 10.806 2.921 1.00 0.00 O ATOM 290 CB ALA A 18 7.861 12.497 0.624 1.00 0.00 C ATOM 0 H ALA A 18 6.053 10.903 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 18 8.929 10.655 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.642 12.945 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.979 12.826 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.884 12.808 0.994 1.00 0.00 H new ATOM 296 N ASN A 19 6.861 9.796 2.524 1.00 0.00 N ATOM 297 CA ASN A 19 6.716 9.320 3.903 1.00 0.00 C ATOM 298 C ASN A 19 6.634 7.795 3.981 1.00 0.00 C ATOM 299 O ASN A 19 6.107 7.242 4.949 1.00 0.00 O ATOM 300 CB ASN A 19 5.472 9.941 4.543 1.00 0.00 C ATOM 301 CG ASN A 19 5.676 11.399 4.907 1.00 0.00 C ATOM 302 OD1 ASN A 19 6.146 11.717 5.998 1.00 0.00 O ATOM 303 ND2 ASN A 19 5.323 12.294 3.992 1.00 0.00 N ATOM 0 H ASN A 19 6.096 9.534 1.902 1.00 0.00 H new ATOM 0 HA ASN A 19 7.606 9.630 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.631 9.855 3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.209 9.379 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.438 13.290 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.937 11.986 3.100 1.00 0.00 H new ATOM 310 N LEU A 20 7.155 7.115 2.966 1.00 0.00 N ATOM 311 CA LEU A 20 7.128 5.653 2.936 1.00 0.00 C ATOM 312 C LEU A 20 8.531 5.058 2.992 1.00 0.00 C ATOM 313 O LEU A 20 9.490 5.645 2.495 1.00 0.00 O ATOM 314 CB LEU A 20 6.422 5.156 1.674 1.00 0.00 C ATOM 315 CG LEU A 20 5.945 3.704 1.723 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.530 3.627 2.270 1.00 0.00 C ATOM 317 CD2 LEU A 20 6.018 3.076 0.340 1.00 0.00 C ATOM 0 H LEU A 20 7.599 7.547 2.156 1.00 0.00 H new ATOM 0 HA LEU A 20 6.580 5.326 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.562 5.798 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.101 5.270 0.829 1.00 0.00 H new ATOM 0 HG LEU A 20 6.601 3.146 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.207 2.586 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.506 4.041 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.860 4.198 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.675 2.043 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.383 3.635 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.048 3.100 -0.016 1.00 0.00 H new ATOM 329 N ASP A 21 8.632 3.879 3.602 1.00 0.00 N ATOM 330 CA ASP A 21 9.902 3.171 3.716 1.00 0.00 C ATOM 331 C ASP A 21 9.763 1.758 3.149 1.00 0.00 C ATOM 332 O ASP A 21 9.272 0.859 3.830 1.00 0.00 O ATOM 333 CB ASP A 21 10.357 3.111 5.177 1.00 0.00 C ATOM 334 CG ASP A 21 10.807 4.460 5.698 1.00 0.00 C ATOM 335 OD1 ASP A 21 9.959 5.207 6.229 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.010 4.772 5.571 1.00 0.00 O ATOM 0 H ASP A 21 7.843 3.392 4.027 1.00 0.00 H new ATOM 0 HA ASP A 21 10.655 3.713 3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.539 2.741 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.175 2.397 5.271 1.00 0.00 H new ATOM 341 N PRO A 22 10.205 1.552 1.890 1.00 0.00 N ATOM 342 CA PRO A 22 10.118 0.250 1.195 1.00 0.00 C ATOM 343 C PRO A 22 10.852 -0.895 1.896 1.00 0.00 C ATOM 344 O PRO A 22 10.573 -2.061 1.632 1.00 0.00 O ATOM 345 CB PRO A 22 10.775 0.523 -0.164 1.00 0.00 C ATOM 346 CG PRO A 22 10.708 1.999 -0.342 1.00 0.00 C ATOM 347 CD PRO A 22 10.820 2.583 1.033 1.00 0.00 C ATOM 0 HA PRO A 22 9.081 -0.083 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.807 0.171 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.249 0.006 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.515 2.352 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.772 2.293 -0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.858 2.768 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.295 3.535 1.110 1.00 0.00 H new ATOM 355 N THR A 23 11.784 -0.563 2.778 1.00 0.00 N ATOM 356 CA THR A 23 12.564 -1.572 3.489 1.00 0.00 C ATOM 357 C THR A 23 11.777 -2.247 4.611 1.00 0.00 C ATOM 358 O THR A 23 11.735 -3.474 4.703 1.00 0.00 O ATOM 359 CB THR A 23 13.834 -0.952 4.095 1.00 0.00 C ATOM 360 OG1 THR A 23 13.537 0.341 4.637 1.00 0.00 O ATOM 361 CG2 THR A 23 14.931 -0.826 3.048 1.00 0.00 C ATOM 0 H THR A 23 12.021 0.399 3.020 1.00 0.00 H new ATOM 0 HA THR A 23 12.823 -2.327 2.747 1.00 0.00 H new ATOM 0 HB THR A 23 14.187 -1.609 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.350 0.729 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.818 -0.385 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.176 -1.814 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.585 -0.189 2.234 1.00 0.00 H new ATOM 369 N LYS A 24 11.151 -1.437 5.458 1.00 0.00 N ATOM 370 CA LYS A 24 10.402 -1.944 6.606 1.00 0.00 C ATOM 371 C LYS A 24 9.081 -2.612 6.221 1.00 0.00 C ATOM 372 O LYS A 24 8.664 -3.566 6.872 1.00 0.00 O ATOM 373 CB LYS A 24 10.135 -0.809 7.597 1.00 0.00 C ATOM 374 CG LYS A 24 10.988 -0.880 8.854 1.00 0.00 C ATOM 375 CD LYS A 24 10.520 0.125 9.895 1.00 0.00 C ATOM 376 CE LYS A 24 9.586 -0.515 10.913 1.00 0.00 C ATOM 377 NZ LYS A 24 9.197 0.444 11.984 1.00 0.00 N ATOM 0 H LYS A 24 11.147 -0.421 5.372 1.00 0.00 H new ATOM 0 HA LYS A 24 11.022 -2.713 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.315 0.145 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.083 -0.827 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.943 -1.886 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.030 -0.686 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.384 0.547 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.009 0.951 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.691 -0.878 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.074 -1.381 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.605 0.137 12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.553 1.392 11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.160 0.474 12.064 1.00 0.00 H new ATOM 391 N ILE A 25 8.433 -2.130 5.164 1.00 0.00 N ATOM 392 CA ILE A 25 7.141 -2.690 4.754 1.00 0.00 C ATOM 393 C ILE A 25 7.280 -3.956 3.904 1.00 0.00 C ATOM 394 O ILE A 25 6.431 -4.846 3.979 1.00 0.00 O ATOM 395 CB ILE A 25 6.278 -1.662 3.988 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.063 -1.050 2.828 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.779 -0.572 4.928 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.208 -0.750 1.620 1.00 0.00 C ATOM 0 H ILE A 25 8.772 -1.365 4.581 1.00 0.00 H new ATOM 0 HA ILE A 25 6.642 -2.956 5.686 1.00 0.00 H new ATOM 0 HB ILE A 25 5.414 -2.185 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.538 -0.129 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.862 -1.733 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.174 0.141 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.175 -1.020 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.631 -0.056 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.827 -0.318 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.754 -1.672 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.425 -0.043 1.895 1.00 0.00 H new ATOM 410 N LEU A 26 8.340 -4.038 3.102 1.00 0.00 N ATOM 411 CA LEU A 26 8.550 -5.201 2.239 1.00 0.00 C ATOM 412 C LEU A 26 8.937 -6.435 3.046 1.00 0.00 C ATOM 413 O LEU A 26 8.500 -7.547 2.741 1.00 0.00 O ATOM 414 CB LEU A 26 9.630 -4.914 1.195 1.00 0.00 C ATOM 415 CG LEU A 26 9.549 -5.774 -0.068 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.548 -5.184 -1.046 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.918 -5.902 -0.717 1.00 0.00 C ATOM 0 H LEU A 26 9.061 -3.320 3.031 1.00 0.00 H new ATOM 0 HA LEU A 26 7.605 -5.401 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.567 -3.865 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.607 -5.060 1.655 1.00 0.00 H new ATOM 0 HG LEU A 26 9.210 -6.771 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.502 -5.807 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.564 -5.145 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.859 -4.177 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.840 -6.517 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.287 -4.912 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.611 -6.368 -0.016 1.00 0.00 H new ATOM 429 N GLU A 27 9.744 -6.228 4.084 1.00 0.00 N ATOM 430 CA GLU A 27 10.211 -7.320 4.937 1.00 0.00 C ATOM 431 C GLU A 27 9.072 -7.944 5.747 1.00 0.00 C ATOM 432 O GLU A 27 9.126 -9.126 6.087 1.00 0.00 O ATOM 433 CB GLU A 27 11.304 -6.808 5.879 1.00 0.00 C ATOM 434 CG GLU A 27 12.643 -6.578 5.191 1.00 0.00 C ATOM 435 CD GLU A 27 13.418 -7.860 4.962 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.173 -8.267 5.871 1.00 0.00 O ATOM 437 OE2 GLU A 27 13.271 -8.458 3.876 1.00 0.00 O ATOM 0 H GLU A 27 10.090 -5.308 4.356 1.00 0.00 H new ATOM 0 HA GLU A 27 10.615 -8.098 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.973 -5.874 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.439 -7.525 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.474 -6.086 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.244 -5.899 5.796 1.00 0.00 H new ATOM 444 N GLU A 28 8.041 -7.154 6.040 1.00 0.00 N ATOM 445 CA GLU A 28 6.901 -7.631 6.824 1.00 0.00 C ATOM 446 C GLU A 28 6.015 -8.592 6.026 1.00 0.00 C ATOM 447 O GLU A 28 5.473 -9.551 6.580 1.00 0.00 O ATOM 448 CB GLU A 28 6.064 -6.445 7.315 1.00 0.00 C ATOM 449 CG GLU A 28 6.736 -5.633 8.414 1.00 0.00 C ATOM 450 CD GLU A 28 5.920 -4.423 8.831 1.00 0.00 C ATOM 451 OE1 GLU A 28 4.771 -4.609 9.275 1.00 0.00 O ATOM 452 OE2 GLU A 28 6.434 -3.290 8.715 1.00 0.00 O ATOM 0 H GLU A 28 7.971 -6.180 5.747 1.00 0.00 H new ATOM 0 HA GLU A 28 7.302 -8.178 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.849 -5.789 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.107 -6.815 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.901 -6.271 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.716 -5.304 8.069 1.00 0.00 H new ATOM 459 N LEU A 29 5.879 -8.336 4.726 1.00 0.00 N ATOM 460 CA LEU A 29 5.045 -9.164 3.852 1.00 0.00 C ATOM 461 C LEU A 29 5.746 -10.457 3.427 1.00 0.00 C ATOM 462 O LEU A 29 5.096 -11.482 3.219 1.00 0.00 O ATOM 463 CB LEU A 29 4.647 -8.367 2.610 1.00 0.00 C ATOM 464 CG LEU A 29 3.789 -7.131 2.877 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.073 -6.054 1.843 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.313 -7.493 2.878 1.00 0.00 C ATOM 0 H LEU A 29 6.338 -7.558 4.251 1.00 0.00 H new ATOM 0 HA LEU A 29 4.159 -9.444 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.554 -8.055 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.104 -9.027 1.933 1.00 0.00 H new ATOM 0 HG LEU A 29 4.046 -6.741 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.454 -5.181 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.125 -5.772 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.844 -6.436 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.719 -6.599 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.040 -7.909 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.120 -8.231 3.657 1.00 0.00 H new ATOM 478 N LEU A 30 7.066 -10.400 3.287 1.00 0.00 N ATOM 479 CA LEU A 30 7.849 -11.563 2.871 1.00 0.00 C ATOM 480 C LEU A 30 7.988 -12.592 3.992 1.00 0.00 C ATOM 481 O LEU A 30 8.088 -13.793 3.732 1.00 0.00 O ATOM 482 CB LEU A 30 9.231 -11.120 2.398 1.00 0.00 C ATOM 483 CG LEU A 30 9.253 -10.424 1.038 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.480 -9.537 0.913 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.217 -11.451 -0.085 1.00 0.00 C ATOM 0 H LEU A 30 7.619 -9.560 3.455 1.00 0.00 H new ATOM 0 HA LEU A 30 7.315 -12.041 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.655 -10.445 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.881 -11.994 2.353 1.00 0.00 H new ATOM 0 HG LEU A 30 8.367 -9.795 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.479 -9.050 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.463 -8.780 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.380 -10.144 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.233 -10.939 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.085 -12.105 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.307 -12.045 -0.006 1.00 0.00 H new ATOM 497 N ARG A 31 7.996 -12.113 5.233 1.00 0.00 N ATOM 498 CA ARG A 31 8.143 -12.982 6.398 1.00 0.00 C ATOM 499 C ARG A 31 6.879 -13.793 6.683 1.00 0.00 C ATOM 500 O ARG A 31 6.923 -14.776 7.423 1.00 0.00 O ATOM 501 CB ARG A 31 8.515 -12.150 7.623 1.00 0.00 C ATOM 502 CG ARG A 31 9.989 -11.786 7.669 1.00 0.00 C ATOM 503 CD ARG A 31 10.343 -11.036 8.940 1.00 0.00 C ATOM 504 NE ARG A 31 11.740 -10.612 8.950 1.00 0.00 N ATOM 505 CZ ARG A 31 12.393 -10.240 10.047 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.778 -10.237 11.223 1.00 0.00 N ATOM 507 NH2 ARG A 31 13.662 -9.869 9.967 1.00 0.00 N ATOM 0 H ARG A 31 7.902 -11.123 5.459 1.00 0.00 H new ATOM 0 HA ARG A 31 8.940 -13.692 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.921 -11.236 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.255 -12.705 8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.590 -12.693 7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.240 -11.173 6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.698 -10.163 9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.151 -11.673 9.803 1.00 0.00 H new ATOM 0 HE ARG A 31 12.245 -10.600 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.800 -10.521 11.288 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.283 -9.951 12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.137 -9.869 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.164 -9.583 10.808 1.00 0.00 H new ATOM 521 N ARG A 32 5.758 -13.384 6.096 1.00 0.00 N ATOM 522 CA ARG A 32 4.497 -14.094 6.298 1.00 0.00 C ATOM 523 C ARG A 32 4.139 -14.936 5.076 1.00 0.00 C ATOM 524 O ARG A 32 3.223 -15.756 5.125 1.00 0.00 O ATOM 525 CB ARG A 32 3.362 -13.113 6.620 1.00 0.00 C ATOM 526 CG ARG A 32 3.220 -11.970 5.628 1.00 0.00 C ATOM 527 CD ARG A 32 2.078 -11.038 6.008 1.00 0.00 C ATOM 528 NE ARG A 32 0.777 -11.684 5.845 1.00 0.00 N ATOM 529 CZ ARG A 32 -0.215 -11.609 6.731 1.00 0.00 C ATOM 530 NH1 ARG A 32 -0.066 -10.923 7.859 1.00 0.00 N ATOM 531 NH2 ARG A 32 -1.356 -12.242 6.493 1.00 0.00 N ATOM 0 H ARG A 32 5.696 -12.572 5.482 1.00 0.00 H new ATOM 0 HA ARG A 32 4.627 -14.763 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.422 -13.664 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.529 -12.697 7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.152 -11.406 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.045 -12.373 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.198 -10.718 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.119 -10.141 5.390 1.00 0.00 H new ATOM 0 HE ARG A 32 0.618 -12.228 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.815 -10.447 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.832 -10.872 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.470 -12.782 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.119 -12.188 7.168 1.00 0.00 H new ATOM 545 N GLY A 33 4.871 -14.726 3.982 1.00 0.00 N ATOM 546 CA GLY A 33 4.625 -15.475 2.764 1.00 0.00 C ATOM 547 C GLY A 33 3.504 -14.890 1.918 1.00 0.00 C ATOM 548 O GLY A 33 2.991 -15.561 1.023 1.00 0.00 O ATOM 0 H GLY A 33 5.631 -14.048 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.540 -15.505 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.378 -16.505 3.022 1.00 0.00 H new ATOM 552 N LEU A 34 3.118 -13.643 2.201 1.00 0.00 N ATOM 553 CA LEU A 34 2.051 -12.983 1.444 1.00 0.00 C ATOM 554 C LEU A 34 2.584 -12.345 0.165 1.00 0.00 C ATOM 555 O LEU A 34 1.813 -11.975 -0.721 1.00 0.00 O ATOM 556 CB LEU A 34 1.362 -11.911 2.297 1.00 0.00 C ATOM 557 CG LEU A 34 -0.009 -11.452 1.786 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.982 -11.284 2.939 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.114 -10.152 1.001 1.00 0.00 C ATOM 0 H LEU A 34 3.525 -13.074 2.943 1.00 0.00 H new ATOM 0 HA LEU A 34 1.327 -13.752 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.244 -12.296 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.018 -11.043 2.360 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.395 -12.221 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.949 -10.958 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.100 -12.236 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.597 -10.538 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.871 -9.845 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.527 -9.376 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.774 -10.304 0.147 1.00 0.00 H new ATOM 571 N LEU A 35 3.900 -12.251 0.044 1.00 0.00 N ATOM 572 CA LEU A 35 4.493 -11.624 -1.127 1.00 0.00 C ATOM 573 C LEU A 35 5.187 -12.654 -2.017 1.00 0.00 C ATOM 574 O LEU A 35 5.913 -13.519 -1.527 1.00 0.00 O ATOM 575 CB LEU A 35 5.502 -10.557 -0.695 1.00 0.00 C ATOM 576 CG LEU A 35 5.546 -9.304 -1.573 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.000 -8.100 -0.765 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.467 -9.521 -2.760 1.00 0.00 C ATOM 0 H LEU A 35 4.569 -12.596 0.732 1.00 0.00 H new ATOM 0 HA LEU A 35 3.691 -11.160 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.272 -10.256 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.496 -11.005 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 35 4.540 -9.110 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.025 -7.219 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.305 -7.930 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.997 -8.285 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.487 -8.621 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.474 -9.740 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.102 -10.358 -3.355 1.00 0.00 H new ATOM 590 N THR A 36 4.952 -12.557 -3.326 1.00 0.00 N ATOM 591 CA THR A 36 5.563 -13.482 -4.280 1.00 0.00 C ATOM 592 C THR A 36 6.740 -12.833 -5.008 1.00 0.00 C ATOM 593 O THR A 36 6.816 -11.611 -5.114 1.00 0.00 O ATOM 594 CB THR A 36 4.541 -13.983 -5.321 1.00 0.00 C ATOM 595 OG1 THR A 36 3.898 -12.870 -5.954 1.00 0.00 O ATOM 596 CG2 THR A 36 3.498 -14.881 -4.669 1.00 0.00 C ATOM 0 H THR A 36 4.347 -11.852 -3.747 1.00 0.00 H new ATOM 0 HA THR A 36 5.923 -14.332 -3.701 1.00 0.00 H new ATOM 0 HB THR A 36 5.076 -14.564 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.083 -12.639 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.789 -15.222 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.990 -15.743 -4.218 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.968 -14.322 -3.898 1.00 0.00 H new ATOM 604 N PRO A 37 7.678 -13.654 -5.520 1.00 0.00 N ATOM 605 CA PRO A 37 8.860 -13.163 -6.243 1.00 0.00 C ATOM 606 C PRO A 37 8.507 -12.453 -7.552 1.00 0.00 C ATOM 607 O PRO A 37 9.261 -11.606 -8.020 1.00 0.00 O ATOM 608 CB PRO A 37 9.674 -14.434 -6.527 1.00 0.00 C ATOM 609 CG PRO A 37 9.105 -15.482 -5.633 1.00 0.00 C ATOM 610 CD PRO A 37 7.667 -15.123 -5.429 1.00 0.00 C ATOM 0 HA PRO A 37 9.399 -12.418 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.593 -14.726 -7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.733 -14.276 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.199 -16.470 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.637 -15.513 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.027 -15.570 -6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.299 -15.465 -4.462 1.00 0.00 H new ATOM 618 N ALA A 38 7.357 -12.806 -8.133 1.00 0.00 N ATOM 619 CA ALA A 38 6.902 -12.195 -9.381 1.00 0.00 C ATOM 620 C ALA A 38 6.513 -10.738 -9.160 1.00 0.00 C ATOM 621 O ALA A 38 6.875 -9.862 -9.945 1.00 0.00 O ATOM 622 CB ALA A 38 5.726 -12.979 -9.946 1.00 0.00 C ATOM 0 H ALA A 38 6.725 -13.513 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 38 7.722 -12.221 -10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.394 -12.517 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.034 -14.006 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.907 -12.976 -9.226 1.00 0.00 H new ATOM 628 N GLU A 39 5.779 -10.492 -8.077 1.00 0.00 N ATOM 629 CA GLU A 39 5.338 -9.146 -7.724 1.00 0.00 C ATOM 630 C GLU A 39 6.525 -8.294 -7.284 1.00 0.00 C ATOM 631 O GLU A 39 6.621 -7.109 -7.622 1.00 0.00 O ATOM 632 CB GLU A 39 4.306 -9.217 -6.594 1.00 0.00 C ATOM 633 CG GLU A 39 2.956 -9.765 -7.027 1.00 0.00 C ATOM 634 CD GLU A 39 2.034 -10.019 -5.851 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.771 -9.067 -5.085 1.00 0.00 O ATOM 636 OE2 GLU A 39 1.580 -11.171 -5.691 1.00 0.00 O ATOM 0 H GLU A 39 5.475 -11.215 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 39 4.883 -8.687 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.701 -9.842 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.166 -8.219 -6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.483 -9.061 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.103 -10.694 -7.578 1.00 0.00 H new ATOM 643 N LEU A 40 7.434 -8.921 -6.539 1.00 0.00 N ATOM 644 CA LEU A 40 8.623 -8.250 -6.026 1.00 0.00 C ATOM 645 C LEU A 40 9.569 -7.833 -7.144 1.00 0.00 C ATOM 646 O LEU A 40 9.925 -6.664 -7.246 1.00 0.00 O ATOM 647 CB LEU A 40 9.357 -9.162 -5.042 1.00 0.00 C ATOM 648 CG LEU A 40 10.324 -8.445 -4.090 1.00 0.00 C ATOM 649 CD1 LEU A 40 10.296 -9.076 -2.711 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.742 -8.460 -4.645 1.00 0.00 C ATOM 0 H LEU A 40 7.366 -9.904 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 40 8.293 -7.346 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.618 -9.700 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.915 -9.908 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 40 9.996 -7.409 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.990 -8.549 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.288 -9.010 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.590 -10.123 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.409 -7.946 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.073 -9.491 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.760 -7.954 -5.610 1.00 0.00 H new ATOM 662 N GLN A 41 9.972 -8.798 -7.973 1.00 0.00 N ATOM 663 CA GLN A 41 10.891 -8.556 -9.076 1.00 0.00 C ATOM 664 C GLN A 41 10.415 -7.449 -10.011 1.00 0.00 C ATOM 665 O GLN A 41 11.224 -6.805 -10.671 1.00 0.00 O ATOM 666 CB GLN A 41 11.073 -9.846 -9.868 1.00 0.00 C ATOM 667 CG GLN A 41 12.480 -10.049 -10.388 1.00 0.00 C ATOM 668 CD GLN A 41 13.457 -10.460 -9.300 1.00 0.00 C ATOM 669 OE1 GLN A 41 13.547 -11.636 -8.951 1.00 0.00 O ATOM 670 NE2 GLN A 41 14.194 -9.497 -8.751 1.00 0.00 N ATOM 0 H GLN A 41 9.668 -9.768 -7.895 1.00 0.00 H new ATOM 0 HA GLN A 41 11.837 -8.227 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.804 -10.691 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.381 -9.845 -10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.468 -10.812 -11.166 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.827 -9.126 -10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.091 -8.533 -9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.862 -9.723 -8.014 1.00 0.00 H new ATOM 679 N GLU A 42 9.106 -7.231 -10.064 1.00 0.00 N ATOM 680 CA GLU A 42 8.542 -6.213 -10.938 1.00 0.00 C ATOM 681 C GLU A 42 8.763 -4.798 -10.390 1.00 0.00 C ATOM 682 O GLU A 42 9.374 -3.948 -11.054 1.00 0.00 O ATOM 683 CB GLU A 42 7.051 -6.471 -11.115 1.00 0.00 C ATOM 684 CG GLU A 42 6.718 -7.430 -12.247 1.00 0.00 C ATOM 685 CD GLU A 42 5.226 -7.612 -12.427 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.656 -8.520 -11.787 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.625 -6.843 -13.205 1.00 0.00 O ATOM 0 H GLU A 42 8.418 -7.745 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 42 9.052 -6.275 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.649 -6.871 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.548 -5.521 -11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.151 -7.057 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.178 -8.398 -12.047 1.00 0.00 H new ATOM 694 N VAL A 43 8.294 -4.558 -9.164 1.00 0.00 N ATOM 695 CA VAL A 43 8.428 -3.242 -8.547 1.00 0.00 C ATOM 696 C VAL A 43 9.870 -2.975 -8.100 1.00 0.00 C ATOM 697 O VAL A 43 10.295 -1.827 -8.015 1.00 0.00 O ATOM 698 CB VAL A 43 7.436 -3.053 -7.367 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.648 -4.094 -6.281 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.534 -1.647 -6.785 1.00 0.00 C ATOM 0 H VAL A 43 7.822 -5.253 -8.585 1.00 0.00 H new ATOM 0 HA VAL A 43 8.173 -2.507 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 43 6.432 -3.190 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.935 -3.928 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.499 -5.090 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.663 -4.012 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.828 -1.544 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.546 -1.474 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.298 -0.916 -7.558 1.00 0.00 H new ATOM 710 N LEU A 44 10.629 -4.035 -7.841 1.00 0.00 N ATOM 711 CA LEU A 44 12.020 -3.882 -7.427 1.00 0.00 C ATOM 712 C LEU A 44 12.910 -3.600 -8.633 1.00 0.00 C ATOM 713 O LEU A 44 14.030 -3.106 -8.489 1.00 0.00 O ATOM 714 CB LEU A 44 12.512 -5.132 -6.698 1.00 0.00 C ATOM 715 CG LEU A 44 13.764 -4.928 -5.846 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.385 -4.523 -4.429 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.612 -6.189 -5.836 1.00 0.00 C ATOM 0 H LEU A 44 10.309 -5.001 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 44 12.075 -3.036 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.711 -5.501 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.714 -5.909 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 44 14.353 -4.123 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.289 -4.382 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.820 -3.591 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.774 -5.305 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.499 -6.026 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.032 -7.014 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.913 -6.433 -6.855 1.00 0.00 H new ATOM 729 N ASP A 45 12.397 -3.911 -9.823 1.00 0.00 N ATOM 730 CA ASP A 45 13.130 -3.685 -11.060 1.00 0.00 C ATOM 731 C ASP A 45 13.082 -2.216 -11.449 1.00 0.00 C ATOM 732 O ASP A 45 14.109 -1.629 -11.792 1.00 0.00 O ATOM 733 CB ASP A 45 12.556 -4.537 -12.192 1.00 0.00 C ATOM 734 CG ASP A 45 13.591 -4.871 -13.248 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.330 -5.861 -13.063 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.664 -4.140 -14.259 1.00 0.00 O ATOM 0 H ASP A 45 11.472 -4.322 -9.953 1.00 0.00 H new ATOM 0 HA ASP A 45 14.168 -3.974 -10.893 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.152 -5.461 -11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.725 -4.006 -12.657 1.00 0.00 H new ATOM 741 N LEU A 46 11.890 -1.620 -11.392 1.00 0.00 N ATOM 742 CA LEU A 46 11.747 -0.209 -11.752 1.00 0.00 C ATOM 743 C LEU A 46 12.411 0.696 -10.721 1.00 0.00 C ATOM 744 O LEU A 46 12.395 0.415 -9.521 1.00 0.00 O ATOM 745 CB LEU A 46 10.278 0.200 -11.924 1.00 0.00 C ATOM 746 CG LEU A 46 9.273 -0.476 -10.991 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.991 0.404 -9.785 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.985 -0.777 -11.736 1.00 0.00 C ATOM 0 H LEU A 46 11.026 -2.081 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 46 12.249 -0.086 -12.712 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.204 1.278 -11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.983 -0.008 -12.953 1.00 0.00 H new ATOM 0 HG LEU A 46 9.703 -1.415 -10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.274 -0.093 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.918 0.580 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.579 1.357 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.278 -1.258 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.555 0.152 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.196 -1.442 -12.574 1.00 0.00 H new ATOM 760 N LYS A 47 12.997 1.781 -11.207 1.00 0.00 N ATOM 761 CA LYS A 47 13.663 2.745 -10.344 1.00 0.00 C ATOM 762 C LYS A 47 12.848 4.028 -10.261 1.00 0.00 C ATOM 763 O LYS A 47 13.322 5.045 -9.757 1.00 0.00 O ATOM 764 CB LYS A 47 15.066 3.050 -10.871 1.00 0.00 C ATOM 765 CG LYS A 47 16.076 1.954 -10.582 1.00 0.00 C ATOM 766 CD LYS A 47 17.456 2.316 -11.107 1.00 0.00 C ATOM 767 CE LYS A 47 18.468 1.219 -10.819 1.00 0.00 C ATOM 768 NZ LYS A 47 18.282 0.038 -11.708 1.00 0.00 N ATOM 0 H LYS A 47 13.024 2.016 -12.199 1.00 0.00 H new ATOM 0 HA LYS A 47 13.749 2.316 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.014 3.209 -11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.417 3.982 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.128 1.780 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.744 1.022 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.403 2.490 -12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.788 3.248 -10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.476 1.613 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.378 0.907 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.993 -0.685 -11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.329 -0.355 -11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.394 0.329 -12.700 1.00 0.00 H new ATOM 782 N THR A 48 11.619 3.969 -10.762 1.00 0.00 N ATOM 783 CA THR A 48 10.727 5.124 -10.755 1.00 0.00 C ATOM 784 C THR A 48 9.966 5.218 -9.434 1.00 0.00 C ATOM 785 O THR A 48 9.111 4.385 -9.149 1.00 0.00 O ATOM 786 CB THR A 48 9.731 5.054 -11.928 1.00 0.00 C ATOM 787 OG1 THR A 48 9.289 3.702 -12.110 1.00 0.00 O ATOM 788 CG2 THR A 48 10.380 5.552 -13.210 1.00 0.00 C ATOM 0 H THR A 48 11.216 3.130 -11.180 1.00 0.00 H new ATOM 0 HA THR A 48 11.342 6.017 -10.869 1.00 0.00 H new ATOM 0 HB THR A 48 8.877 5.690 -11.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.655 3.663 -12.856 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.661 5.495 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.699 6.586 -13.079 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.246 4.932 -13.444 1.00 0.00 H new ATOM 796 N PRO A 49 10.268 6.249 -8.622 1.00 0.00 N ATOM 797 CA PRO A 49 9.634 6.461 -7.307 1.00 0.00 C ATOM 798 C PRO A 49 8.109 6.547 -7.376 1.00 0.00 C ATOM 799 O PRO A 49 7.413 6.064 -6.480 1.00 0.00 O ATOM 800 CB PRO A 49 10.219 7.797 -6.841 1.00 0.00 C ATOM 801 CG PRO A 49 11.494 7.942 -7.595 1.00 0.00 C ATOM 802 CD PRO A 49 11.256 7.299 -8.926 1.00 0.00 C ATOM 0 HA PRO A 49 9.831 5.626 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.539 8.622 -7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.394 7.798 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.763 8.992 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.317 7.458 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.873 8.013 -9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.173 6.881 -9.341 1.00 0.00 H new ATOM 810 N GLU A 50 7.600 7.165 -8.439 1.00 0.00 N ATOM 811 CA GLU A 50 6.158 7.309 -8.630 1.00 0.00 C ATOM 812 C GLU A 50 5.497 5.949 -8.845 1.00 0.00 C ATOM 813 O GLU A 50 4.418 5.684 -8.312 1.00 0.00 O ATOM 814 CB GLU A 50 5.872 8.218 -9.825 1.00 0.00 C ATOM 815 CG GLU A 50 6.140 9.690 -9.559 1.00 0.00 C ATOM 816 CD GLU A 50 5.844 10.557 -10.765 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.690 11.017 -10.897 1.00 0.00 O ATOM 818 OE2 GLU A 50 6.764 10.770 -11.583 1.00 0.00 O ATOM 0 H GLU A 50 8.165 7.575 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 50 5.741 7.758 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.482 7.895 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.830 8.096 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.531 10.021 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.182 9.820 -9.268 1.00 0.00 H new ATOM 825 N GLU A 51 6.154 5.091 -9.626 1.00 0.00 N ATOM 826 CA GLU A 51 5.636 3.755 -9.914 1.00 0.00 C ATOM 827 C GLU A 51 5.787 2.827 -8.708 1.00 0.00 C ATOM 828 O GLU A 51 4.970 1.935 -8.511 1.00 0.00 O ATOM 829 CB GLU A 51 6.347 3.155 -11.131 1.00 0.00 C ATOM 830 CG GLU A 51 5.541 2.081 -11.847 1.00 0.00 C ATOM 831 CD GLU A 51 5.798 2.057 -13.340 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.951 1.791 -13.740 1.00 0.00 O ATOM 833 OE2 GLU A 51 4.847 2.304 -14.110 1.00 0.00 O ATOM 0 H GLU A 51 7.048 5.299 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 51 4.573 3.853 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.577 3.954 -11.836 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.298 2.729 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.785 1.106 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.479 2.249 -11.668 1.00 0.00 H new ATOM 840 N GLN A 52 6.843 3.038 -7.914 1.00 0.00 N ATOM 841 CA GLN A 52 7.099 2.219 -6.725 1.00 0.00 C ATOM 842 C GLN A 52 5.932 2.295 -5.743 1.00 0.00 C ATOM 843 O GLN A 52 5.386 1.267 -5.336 1.00 0.00 O ATOM 844 CB GLN A 52 8.389 2.669 -6.032 1.00 0.00 C ATOM 845 CG GLN A 52 9.634 2.455 -6.877 1.00 0.00 C ATOM 846 CD GLN A 52 10.722 1.701 -6.143 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.447 2.268 -5.327 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.840 0.412 -6.433 1.00 0.00 N ATOM 0 H GLN A 52 7.535 3.770 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 52 7.210 1.185 -7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.307 3.726 -5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.498 2.125 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.364 1.907 -7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.021 3.423 -7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.216 -0.016 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.555 -0.151 -5.972 1.00 0.00 H new ATOM 857 N ALA A 53 5.553 3.517 -5.377 1.00 0.00 N ATOM 858 CA ALA A 53 4.447 3.737 -4.452 1.00 0.00 C ATOM 859 C ALA A 53 3.121 3.317 -5.077 1.00 0.00 C ATOM 860 O ALA A 53 2.249 2.781 -4.393 1.00 0.00 O ATOM 861 CB ALA A 53 4.394 5.197 -4.028 1.00 0.00 C ATOM 0 H ALA A 53 5.998 4.372 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 53 4.616 3.121 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.564 5.346 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.328 5.467 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.252 5.826 -4.907 1.00 0.00 H new ATOM 867 N LYS A 54 2.989 3.549 -6.384 1.00 0.00 N ATOM 868 CA LYS A 54 1.773 3.197 -7.115 1.00 0.00 C ATOM 869 C LYS A 54 1.586 1.683 -7.179 1.00 0.00 C ATOM 870 O LYS A 54 0.463 1.193 -7.119 1.00 0.00 O ATOM 871 CB LYS A 54 1.815 3.778 -8.530 1.00 0.00 C ATOM 872 CG LYS A 54 0.456 4.224 -9.040 1.00 0.00 C ATOM 873 CD LYS A 54 0.548 4.872 -10.411 1.00 0.00 C ATOM 874 CE LYS A 54 -0.827 5.264 -10.923 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.335 6.493 -10.253 1.00 0.00 N ATOM 0 H LYS A 54 3.713 3.981 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 54 0.926 3.624 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.497 4.628 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.222 3.030 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.213 3.365 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.017 4.929 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.185 5.755 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.018 4.182 -11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.781 5.429 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.525 4.444 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.276 6.729 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.403 6.327 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.682 7.282 -10.434 1.00 0.00 H new ATOM 889 N LYS A 55 2.698 0.956 -7.292 1.00 0.00 N ATOM 890 CA LYS A 55 2.675 -0.503 -7.363 1.00 0.00 C ATOM 891 C LYS A 55 2.174 -1.110 -6.064 1.00 0.00 C ATOM 892 O LYS A 55 1.374 -2.038 -6.078 1.00 0.00 O ATOM 893 CB LYS A 55 4.071 -1.044 -7.676 1.00 0.00 C ATOM 894 CG LYS A 55 4.381 -1.097 -9.163 1.00 0.00 C ATOM 895 CD LYS A 55 3.783 -2.333 -9.816 1.00 0.00 C ATOM 896 CE LYS A 55 4.167 -2.423 -11.282 1.00 0.00 C ATOM 897 NZ LYS A 55 5.525 -3.004 -11.465 1.00 0.00 N ATOM 0 H LYS A 55 3.634 1.360 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 55 1.990 -0.784 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.814 -0.419 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.166 -2.046 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.990 -0.203 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.461 -1.093 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.126 -3.225 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.697 -2.307 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.436 -3.034 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.134 -1.429 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.053 -2.440 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.032 -2.995 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.441 -3.983 -11.805 1.00 0.00 H new ATOM 911 N LEU A 56 2.635 -0.565 -4.946 1.00 0.00 N ATOM 912 CA LEU A 56 2.247 -1.059 -3.633 1.00 0.00 C ATOM 913 C LEU A 56 0.763 -0.869 -3.377 1.00 0.00 C ATOM 914 O LEU A 56 0.078 -1.808 -2.982 1.00 0.00 O ATOM 915 CB LEU A 56 3.038 -0.350 -2.552 1.00 0.00 C ATOM 916 CG LEU A 56 3.084 -1.074 -1.209 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.265 -2.031 -1.165 1.00 0.00 C ATOM 918 CD2 LEU A 56 3.152 -0.071 -0.067 1.00 0.00 C ATOM 0 H LEU A 56 3.282 0.224 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 56 2.464 -2.127 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.059 -0.205 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.610 0.641 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 56 2.170 -1.657 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.285 -2.540 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.166 -2.767 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.191 -1.472 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.184 -0.604 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.049 0.539 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.271 0.571 -0.094 1.00 0.00 H new ATOM 930 N ILE A 57 0.273 0.349 -3.597 1.00 0.00 N ATOM 931 CA ILE A 57 -1.138 0.645 -3.387 1.00 0.00 C ATOM 932 C ILE A 57 -1.998 -0.158 -4.362 1.00 0.00 C ATOM 933 O ILE A 57 -3.136 -0.512 -4.058 1.00 0.00 O ATOM 934 CB ILE A 57 -1.429 2.155 -3.545 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.515 2.967 -2.624 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.889 2.458 -3.236 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.337 4.404 -3.061 1.00 0.00 C ATOM 0 H ILE A 57 0.830 1.141 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.389 0.358 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.231 2.437 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.924 2.951 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.462 2.486 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.072 3.526 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.529 1.903 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.113 2.162 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.323 4.918 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.101 4.429 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.307 4.902 -3.078 1.00 0.00 H new ATOM 949 N ASP A 58 -1.424 -0.468 -5.522 1.00 0.00 N ATOM 950 CA ASP A 58 -2.115 -1.242 -6.544 1.00 0.00 C ATOM 951 C ASP A 58 -2.092 -2.729 -6.209 1.00 0.00 C ATOM 952 O ASP A 58 -2.831 -3.515 -6.796 1.00 0.00 O ATOM 953 CB ASP A 58 -1.467 -1.019 -7.911 1.00 0.00 C ATOM 954 CG ASP A 58 -2.231 -0.025 -8.764 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.488 1.098 -8.281 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.570 -0.369 -9.918 1.00 0.00 O ATOM 0 H ASP A 58 -0.476 -0.192 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.151 -0.904 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.446 -0.663 -7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.403 -1.971 -8.438 1.00 0.00 H new ATOM 961 N PHE A 59 -1.235 -3.119 -5.269 1.00 0.00 N ATOM 962 CA PHE A 59 -1.135 -4.520 -4.883 1.00 0.00 C ATOM 963 C PHE A 59 -1.973 -4.842 -3.647 1.00 0.00 C ATOM 964 O PHE A 59 -2.430 -5.972 -3.488 1.00 0.00 O ATOM 965 CB PHE A 59 0.326 -4.908 -4.644 1.00 0.00 C ATOM 966 CG PHE A 59 1.018 -5.387 -5.887 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.411 -6.313 -6.720 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.270 -4.901 -6.231 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.037 -6.746 -7.871 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.901 -5.328 -7.385 1.00 0.00 C ATOM 971 CZ PHE A 59 2.282 -6.252 -8.204 1.00 0.00 C ATOM 0 H PHE A 59 -0.607 -2.491 -4.767 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.534 -5.108 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.864 -4.048 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.369 -5.691 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.564 -6.701 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.758 -4.181 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.554 -7.470 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.875 -4.940 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.773 -6.588 -9.106 1.00 0.00 H new ATOM 981 N ILE A 60 -2.179 -3.859 -2.773 1.00 0.00 N ATOM 982 CA ILE A 60 -2.953 -4.085 -1.552 1.00 0.00 C ATOM 983 C ILE A 60 -4.405 -3.601 -1.661 1.00 0.00 C ATOM 984 O ILE A 60 -5.327 -4.322 -1.284 1.00 0.00 O ATOM 985 CB ILE A 60 -2.283 -3.428 -0.320 1.00 0.00 C ATOM 986 CG1 ILE A 60 -1.906 -1.971 -0.602 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.048 -4.220 0.089 1.00 0.00 C ATOM 988 CD1 ILE A 60 -2.760 -0.967 0.141 1.00 0.00 C ATOM 0 H ILE A 60 -1.826 -2.909 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.972 -5.167 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.002 -3.436 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.861 -1.816 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.990 -1.784 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.585 -3.749 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.337 -5.240 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.337 -4.238 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.434 0.043 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.804 -1.093 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.658 -1.126 1.214 1.00 0.00 H new ATOM 1000 N LEU A 61 -4.605 -2.394 -2.198 1.00 0.00 N ATOM 1001 CA LEU A 61 -5.946 -1.815 -2.317 1.00 0.00 C ATOM 1002 C LEU A 61 -6.798 -2.521 -3.371 1.00 0.00 C ATOM 1003 O LEU A 61 -8.001 -2.269 -3.471 1.00 0.00 O ATOM 1004 CB LEU A 61 -5.860 -0.321 -2.636 1.00 0.00 C ATOM 1005 CG LEU A 61 -6.928 0.544 -1.965 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -6.523 0.880 -0.536 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.166 1.813 -2.769 1.00 0.00 C ATOM 0 H LEU A 61 -3.857 -1.800 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.434 -1.956 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.877 0.043 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.933 -0.190 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.860 -0.021 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.295 1.496 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.404 -0.041 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.580 1.426 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.929 2.417 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.239 2.382 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.502 1.551 -3.772 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.183 -3.404 -4.151 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.907 -4.129 -5.189 1.00 0.00 C ATOM 1021 C LYS A 62 -7.369 -5.498 -4.703 1.00 0.00 C ATOM 1022 O LYS A 62 -8.049 -6.221 -5.428 1.00 0.00 O ATOM 1023 CB LYS A 62 -6.032 -4.288 -6.427 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.044 -3.069 -7.327 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.432 -3.376 -8.680 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.377 -2.139 -9.557 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.665 -2.398 -10.838 1.00 0.00 N ATOM 0 H LYS A 62 -5.191 -3.634 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.793 -3.546 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.007 -4.492 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.371 -5.154 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.069 -2.722 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.492 -2.258 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.426 -3.772 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.015 -4.151 -9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.391 -1.798 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.875 -1.335 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.812 -1.805 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.393 -3.401 -10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.292 -2.169 -11.636 1.00 0.00 H new ATOM 1041 N LEU A 63 -7.000 -5.851 -3.476 1.00 0.00 N ATOM 1042 CA LEU A 63 -7.387 -7.134 -2.912 1.00 0.00 C ATOM 1043 C LEU A 63 -8.635 -6.999 -2.050 1.00 0.00 C ATOM 1044 O LEU A 63 -9.202 -5.913 -1.919 1.00 0.00 O ATOM 1045 CB LEU A 63 -6.242 -7.721 -2.086 1.00 0.00 C ATOM 1046 CG LEU A 63 -5.075 -8.278 -2.901 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.823 -8.355 -2.046 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -5.420 -9.648 -3.466 1.00 0.00 C ATOM 0 H LEU A 63 -6.436 -5.268 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.612 -7.809 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.862 -6.948 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.639 -8.518 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.885 -7.603 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.001 -8.754 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.564 -7.358 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.005 -9.009 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.576 -10.027 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.638 -10.335 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.294 -9.565 -4.113 1.00 0.00 H new ATOM 1060 N SER A 64 -9.056 -8.114 -1.466 1.00 0.00 N ATOM 1061 CA SER A 64 -10.238 -8.143 -0.617 1.00 0.00 C ATOM 1062 C SER A 64 -9.972 -7.470 0.734 1.00 0.00 C ATOM 1063 O SER A 64 -8.822 -7.325 1.148 1.00 0.00 O ATOM 1064 CB SER A 64 -10.686 -9.592 -0.412 1.00 0.00 C ATOM 1065 OG SER A 64 -10.986 -10.210 -1.651 1.00 0.00 O ATOM 0 H SER A 64 -8.591 -9.016 -1.567 1.00 0.00 H new ATOM 0 HA SER A 64 -11.032 -7.584 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.900 -10.151 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.564 -9.617 0.233 1.00 0.00 H new ATOM 0 HG SER A 64 -11.268 -11.135 -1.495 1.00 0.00 H new ATOM 1071 N PRO A 65 -11.044 -7.041 1.430 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.936 -6.382 2.742 1.00 0.00 C ATOM 1073 C PRO A 65 -10.229 -7.240 3.796 1.00 0.00 C ATOM 1074 O PRO A 65 -9.623 -6.710 4.722 1.00 0.00 O ATOM 1075 CB PRO A 65 -12.394 -6.144 3.146 1.00 0.00 C ATOM 1076 CG PRO A 65 -13.162 -6.176 1.871 1.00 0.00 C ATOM 1077 CD PRO A 65 -12.446 -7.145 0.984 1.00 0.00 C ATOM 0 HA PRO A 65 -10.336 -5.475 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.742 -6.913 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.511 -5.186 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.191 -6.491 2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.203 -5.187 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.831 -8.158 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.554 -6.883 -0.068 1.00 0.00 H new ATOM 1085 N ALA A 66 -10.313 -8.562 3.652 1.00 0.00 N ATOM 1086 CA ALA A 66 -9.679 -9.479 4.598 1.00 0.00 C ATOM 1087 C ALA A 66 -8.163 -9.534 4.402 1.00 0.00 C ATOM 1088 O ALA A 66 -7.418 -9.808 5.343 1.00 0.00 O ATOM 1089 CB ALA A 66 -10.287 -10.868 4.459 1.00 0.00 C ATOM 0 H ALA A 66 -10.813 -9.021 2.891 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.863 -9.106 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.810 -11.546 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.356 -10.820 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.131 -11.234 3.444 1.00 0.00 H new ATOM 1095 N ASP A 67 -7.715 -9.265 3.175 1.00 0.00 N ATOM 1096 CA ASP A 67 -6.292 -9.286 2.843 1.00 0.00 C ATOM 1097 C ASP A 67 -5.561 -8.048 3.372 1.00 0.00 C ATOM 1098 O ASP A 67 -4.431 -8.149 3.856 1.00 0.00 O ATOM 1099 CB ASP A 67 -6.106 -9.392 1.325 1.00 0.00 C ATOM 1100 CG ASP A 67 -4.871 -10.184 0.941 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -3.749 -9.670 1.133 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -5.025 -11.321 0.446 1.00 0.00 O ATOM 0 H ASP A 67 -8.323 -9.029 2.391 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.857 -10.160 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.986 -9.864 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.037 -8.390 0.901 1.00 0.00 H new ATOM 1107 N VAL A 68 -6.211 -6.884 3.294 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.594 -5.633 3.748 1.00 0.00 C ATOM 1109 C VAL A 68 -5.545 -5.543 5.270 1.00 0.00 C ATOM 1110 O VAL A 68 -4.621 -4.952 5.828 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.320 -4.379 3.202 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.875 -4.074 1.783 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.830 -4.542 3.267 1.00 0.00 C ATOM 0 H VAL A 68 -7.156 -6.781 2.924 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.579 -5.652 3.351 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.048 -3.536 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.398 -3.189 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.801 -3.891 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.107 -4.922 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.310 -3.645 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.129 -5.403 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.135 -4.695 4.302 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.544 -6.134 5.934 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.637 -6.113 7.397 1.00 0.00 C ATOM 1125 C GLN A 69 -5.375 -6.658 8.062 1.00 0.00 C ATOM 1126 O GLN A 69 -4.981 -6.186 9.128 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.850 -6.919 7.863 1.00 0.00 C ATOM 1128 CG GLN A 69 -9.165 -6.174 7.721 1.00 0.00 C ATOM 1129 CD GLN A 69 -10.303 -6.857 8.452 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.920 -7.785 7.934 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -10.583 -6.396 9.663 1.00 0.00 N ATOM 0 H GLN A 69 -7.305 -6.636 5.477 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.749 -5.071 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.903 -7.845 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.711 -7.198 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.048 -5.161 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.417 -6.087 6.664 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.043 -5.623 10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.338 -6.814 10.206 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.751 -7.648 7.426 1.00 0.00 N ATOM 1141 CA ALA A 70 -3.532 -8.265 7.946 1.00 0.00 C ATOM 1142 C ALA A 70 -2.402 -7.249 8.060 1.00 0.00 C ATOM 1143 O ALA A 70 -1.695 -7.196 9.067 1.00 0.00 O ATOM 1144 CB ALA A 70 -3.115 -9.420 7.046 1.00 0.00 C ATOM 0 H ALA A 70 -5.073 -8.043 6.542 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.740 -8.644 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.206 -9.877 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.911 -10.164 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.929 -9.047 6.039 1.00 0.00 H new ATOM 1150 N ARG A 71 -2.242 -6.444 7.014 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.206 -5.420 6.972 1.00 0.00 C ATOM 1152 C ARG A 71 -1.549 -4.230 7.860 1.00 0.00 C ATOM 1153 O ARG A 71 -0.657 -3.557 8.367 1.00 0.00 O ATOM 1154 CB ARG A 71 -0.998 -4.959 5.540 1.00 0.00 C ATOM 1155 CG ARG A 71 0.417 -4.500 5.250 1.00 0.00 C ATOM 1156 CD ARG A 71 0.553 -4.005 3.823 1.00 0.00 C ATOM 1157 NE ARG A 71 1.943 -3.741 3.475 1.00 0.00 N ATOM 1158 CZ ARG A 71 2.315 -2.943 2.484 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.403 -2.325 1.745 1.00 0.00 N ATOM 1160 NH2 ARG A 71 3.599 -2.766 2.229 1.00 0.00 N ATOM 0 H ARG A 71 -2.823 -6.483 6.177 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.285 -5.860 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.252 -5.775 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.687 -4.142 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.692 -3.704 5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.111 -5.323 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.141 -4.747 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.033 -3.095 3.696 1.00 0.00 H new ATOM 0 HE ARG A 71 2.671 -4.196 4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.411 -2.463 1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.694 -1.712 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.302 -3.243 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.888 -2.153 1.467 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.842 -3.966 8.035 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.284 -2.858 8.876 1.00 0.00 C ATOM 1176 C ILE A 72 -2.935 -3.146 10.340 1.00 0.00 C ATOM 1177 O ILE A 72 -2.713 -2.230 11.135 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.808 -2.602 8.728 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.147 -2.187 7.293 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.282 -1.526 9.698 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.576 -2.491 6.895 1.00 0.00 C ATOM 0 H ILE A 72 -3.598 -4.501 7.608 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.765 -1.957 8.549 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.323 -3.533 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.967 -1.118 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.471 -2.698 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.353 -1.368 9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.080 -1.844 10.721 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.752 -0.595 9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.743 -2.170 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.755 -3.563 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.259 -1.959 7.557 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.859 -4.438 10.667 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.529 -4.888 12.019 1.00 0.00 C ATOM 1195 C ASN A 73 -1.073 -4.583 12.371 1.00 0.00 C ATOM 1196 O ASN A 73 -0.788 -4.056 13.447 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.782 -6.392 12.149 1.00 0.00 C ATOM 1198 CG ASN A 73 -4.147 -6.710 12.725 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.334 -6.715 13.942 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -5.109 -6.982 11.851 1.00 0.00 N ATOM 0 H ASN A 73 -3.024 -5.197 10.006 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.170 -4.346 12.714 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.689 -6.858 11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.013 -6.832 12.784 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.048 -7.207 12.180 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.909 -6.966 10.851 1.00 0.00 H new ATOM 1207 N VAL A 74 -0.155 -4.919 11.463 1.00 0.00 N ATOM 1208 CA VAL A 74 1.268 -4.677 11.695 1.00 0.00 C ATOM 1209 C VAL A 74 1.600 -3.194 11.552 1.00 0.00 C ATOM 1210 O VAL A 74 2.454 -2.672 12.264 1.00 0.00 O ATOM 1211 CB VAL A 74 2.171 -5.502 10.748 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.336 -6.922 11.268 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.623 -5.513 9.328 1.00 0.00 C ATOM 0 H VAL A 74 -0.370 -5.356 10.567 1.00 0.00 H new ATOM 0 HA VAL A 74 1.471 -4.999 12.716 1.00 0.00 H new ATOM 0 HB VAL A 74 3.150 -5.024 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.974 -7.487 10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.793 -6.896 12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.359 -7.402 11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.281 -6.101 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.626 -5.954 9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.569 -4.492 8.951 1.00 0.00 H new ATOM 1223 N LEU A 75 0.915 -2.531 10.621 1.00 0.00 N ATOM 1224 CA LEU A 75 1.115 -1.107 10.352 1.00 0.00 C ATOM 1225 C LEU A 75 0.948 -0.251 11.609 1.00 0.00 C ATOM 1226 O LEU A 75 1.726 0.673 11.841 1.00 0.00 O ATOM 1227 CB LEU A 75 0.122 -0.651 9.281 1.00 0.00 C ATOM 1228 CG LEU A 75 0.657 0.367 8.277 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.701 -0.269 7.375 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.481 0.941 7.451 1.00 0.00 C ATOM 0 H LEU A 75 0.205 -2.966 10.032 1.00 0.00 H new ATOM 0 HA LEU A 75 2.139 -0.974 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.223 -1.528 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.749 -0.222 9.777 1.00 0.00 H new ATOM 0 HG LEU A 75 1.131 1.179 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.070 0.473 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.530 -0.636 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.253 -1.100 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.085 1.665 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.980 0.137 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.196 1.433 8.110 1.00 0.00 H new ATOM 1242 N ARG A 76 -0.055 -0.575 12.421 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.336 0.174 13.646 1.00 0.00 C ATOM 1244 C ARG A 76 0.757 -0.007 14.703 1.00 0.00 C ATOM 1245 O ARG A 76 1.123 0.943 15.393 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.686 -0.260 14.226 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.882 0.202 13.405 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.411 1.545 13.885 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.602 1.963 13.143 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.202 3.141 13.307 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.724 4.014 14.183 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.280 3.448 12.594 1.00 0.00 N ATOM 0 H ARG A 76 -0.690 -1.355 12.253 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.365 1.230 13.378 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.706 -1.347 14.301 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.779 0.131 15.239 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.595 0.278 12.356 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.675 -0.544 13.466 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.649 1.482 14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.633 2.301 13.777 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.995 1.315 12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.896 3.784 14.732 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.184 4.916 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.651 2.781 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.736 4.351 12.723 1.00 0.00 H new ATOM 1266 N ALA A 77 1.286 -1.223 14.815 1.00 0.00 N ATOM 1267 CA ALA A 77 2.309 -1.522 15.815 1.00 0.00 C ATOM 1268 C ALA A 77 3.732 -1.223 15.336 1.00 0.00 C ATOM 1269 O ALA A 77 4.664 -1.207 16.141 1.00 0.00 O ATOM 1270 CB ALA A 77 2.196 -2.974 16.249 1.00 0.00 C ATOM 0 H ALA A 77 1.025 -2.015 14.228 1.00 0.00 H new ATOM 0 HA ALA A 77 2.124 -0.861 16.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.961 -3.192 16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.210 -3.150 16.679 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.336 -3.624 15.385 1.00 0.00 H new ATOM 1276 N HIS A 78 3.906 -0.979 14.038 1.00 0.00 N ATOM 1277 CA HIS A 78 5.236 -0.698 13.493 1.00 0.00 C ATOM 1278 C HIS A 78 5.518 0.803 13.405 1.00 0.00 C ATOM 1279 O HIS A 78 6.587 1.212 12.954 1.00 0.00 O ATOM 1280 CB HIS A 78 5.406 -1.356 12.118 1.00 0.00 C ATOM 1281 CG HIS A 78 5.906 -2.769 12.201 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.203 -3.131 11.899 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.278 -3.911 12.574 1.00 0.00 C ATOM 1284 CE1 HIS A 78 7.351 -4.432 12.085 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.198 -4.926 12.494 1.00 0.00 N ATOM 0 H HIS A 78 3.153 -0.970 13.350 1.00 0.00 H new ATOM 0 HA HIS A 78 5.963 -1.125 14.183 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.449 -1.345 11.596 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.101 -0.765 11.522 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.246 -4.005 12.878 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.260 -4.994 11.929 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.019 -5.906 12.715 1.00 0.00 H new ATOM 1294 N GLY A 79 4.563 1.621 13.841 1.00 0.00 N ATOM 1295 CA GLY A 79 4.755 3.065 13.820 1.00 0.00 C ATOM 1296 C GLY A 79 4.106 3.746 12.627 1.00 0.00 C ATOM 1297 O GLY A 79 4.140 4.973 12.519 1.00 0.00 O ATOM 0 H GLY A 79 3.662 1.313 14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.348 3.491 14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.823 3.281 13.815 1.00 0.00 H new ATOM 1301 N TYR A 80 3.509 2.959 11.740 1.00 0.00 N ATOM 1302 CA TYR A 80 2.848 3.498 10.552 1.00 0.00 C ATOM 1303 C TYR A 80 1.340 3.610 10.794 1.00 0.00 C ATOM 1304 O TYR A 80 0.523 3.198 9.971 1.00 0.00 O ATOM 1305 CB TYR A 80 3.147 2.611 9.338 1.00 0.00 C ATOM 1306 CG TYR A 80 4.610 2.595 8.949 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.495 1.699 9.539 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.106 3.473 7.994 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.830 1.683 9.190 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.443 3.461 7.639 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.299 2.564 8.240 1.00 0.00 C ATOM 1312 OH TYR A 80 8.630 2.545 7.894 1.00 0.00 O ATOM 0 H TYR A 80 3.468 1.943 11.819 1.00 0.00 H new ATOM 0 HA TYR A 80 3.234 4.497 10.348 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.825 1.592 9.554 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.557 2.958 8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.132 1.005 10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.437 4.177 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.505 0.983 9.660 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.814 4.151 6.895 1.00 0.00 H new ATOM 0 HH TYR A 80 8.991 3.455 7.932 1.00 0.00 H new ATOM 1322 N GLN A 81 1.003 4.186 11.944 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.385 4.371 12.378 1.00 0.00 C ATOM 1324 C GLN A 81 -1.156 5.340 11.482 1.00 0.00 C ATOM 1325 O GLN A 81 -2.336 5.123 11.206 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.413 4.877 13.822 1.00 0.00 C ATOM 1327 CG GLN A 81 -0.010 3.830 14.845 1.00 0.00 C ATOM 1328 CD GLN A 81 0.031 4.378 16.258 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.972 4.363 16.970 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.196 4.865 16.671 1.00 0.00 N ATOM 0 H GLN A 81 1.689 4.542 12.610 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.876 3.400 12.307 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.255 5.734 13.910 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.418 5.231 14.054 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.712 2.997 14.803 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.971 3.433 14.585 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.002 4.857 16.046 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.284 5.247 17.613 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.491 6.412 11.044 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.118 7.411 10.175 1.00 0.00 C ATOM 1341 C ALA A 82 -1.548 6.784 8.853 1.00 0.00 C ATOM 1342 O ALA A 82 -2.565 7.160 8.269 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.161 8.569 9.929 1.00 0.00 C ATOM 0 H ALA A 82 0.482 6.610 11.277 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.008 7.793 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.639 9.305 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.098 9.036 10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.744 8.197 9.449 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.750 5.825 8.395 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.012 5.103 7.157 1.00 0.00 C ATOM 1351 C LEU A 83 -2.161 4.110 7.340 1.00 0.00 C ATOM 1352 O LEU A 83 -2.926 3.841 6.411 1.00 0.00 O ATOM 1353 CB LEU A 83 0.253 4.358 6.730 1.00 0.00 C ATOM 1354 CG LEU A 83 1.320 5.218 6.044 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.185 5.930 7.074 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.184 4.360 5.136 1.00 0.00 C ATOM 0 H LEU A 83 0.099 5.526 8.874 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.298 5.819 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.696 3.893 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.031 3.552 6.053 1.00 0.00 H new ATOM 0 HG LEU A 83 0.815 5.972 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.935 6.534 6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.559 6.574 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.681 5.192 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.938 4.984 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.676 3.587 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.560 3.893 4.374 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.268 3.572 8.557 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.301 2.597 8.894 1.00 0.00 C ATOM 1370 C ALA A 84 -4.692 3.228 8.913 1.00 0.00 C ATOM 1371 O ALA A 84 -5.691 2.543 8.698 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.986 1.951 10.235 1.00 0.00 C ATOM 0 H ALA A 84 -1.644 3.800 9.331 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.306 1.830 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.761 1.225 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.021 1.447 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.950 2.718 11.009 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.747 4.535 9.169 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.014 5.261 9.199 1.00 0.00 C ATOM 1380 C ASP A 85 -6.512 5.533 7.781 1.00 0.00 C ATOM 1381 O ASP A 85 -7.706 5.732 7.556 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.850 6.581 9.956 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.131 7.020 10.637 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.429 6.496 11.732 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.837 7.885 10.075 1.00 0.00 O ATOM 0 H ASP A 85 -3.927 5.112 9.359 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.750 4.644 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.063 6.473 10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.526 7.357 9.262 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.582 5.531 6.827 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.911 5.777 5.429 1.00 0.00 C ATOM 1392 C LYS A 86 -6.563 4.553 4.796 1.00 0.00 C ATOM 1393 O LYS A 86 -7.571 4.671 4.103 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.652 6.170 4.650 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.196 7.590 4.931 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.935 7.940 4.157 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.489 9.364 4.442 1.00 0.00 C ATOM 1398 NZ LYS A 86 -1.865 9.492 5.789 1.00 0.00 N ATOM 0 H LYS A 86 -4.591 5.361 7.001 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.624 6.600 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.847 5.480 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.844 6.061 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.991 8.287 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.012 7.708 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.138 7.247 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.117 7.821 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.776 9.681 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.347 10.033 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.559 10.475 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.558 9.231 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.041 8.860 5.852 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.989 3.377 5.049 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.524 2.133 4.500 1.00 0.00 C ATOM 1414 C LEU A 87 -7.868 1.783 5.136 1.00 0.00 C ATOM 1415 O LEU A 87 -8.757 1.260 4.468 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.543 0.976 4.713 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.075 1.294 4.424 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -3.177 0.203 4.983 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.848 1.457 2.929 1.00 0.00 C ATOM 0 H LEU A 87 -5.157 3.260 5.628 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.670 2.286 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.627 0.638 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.848 0.143 4.079 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.823 2.235 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.136 0.444 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.319 0.132 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.431 -0.750 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.798 1.683 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.117 0.533 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.467 2.272 2.554 1.00 0.00 H new ATOM 1431 N ASN A 88 -8.007 2.083 6.427 1.00 0.00 N ATOM 1432 CA ASN A 88 -9.239 1.796 7.159 1.00 0.00 C ATOM 1433 C ASN A 88 -10.397 2.659 6.671 1.00 0.00 C ATOM 1434 O ASN A 88 -11.541 2.209 6.647 1.00 0.00 O ATOM 1435 CB ASN A 88 -9.033 2.010 8.659 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.936 1.126 9.499 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -9.591 -0.012 9.814 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -11.101 1.647 9.866 1.00 0.00 N ATOM 0 H ASN A 88 -7.279 2.526 6.988 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.491 0.752 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.993 1.807 8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.223 3.055 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.749 1.099 10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.347 2.595 9.583 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.100 3.896 6.283 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.132 4.812 5.813 1.00 0.00 C ATOM 1447 C LYS A 89 -11.734 4.354 4.489 1.00 0.00 C ATOM 1448 O LYS A 89 -12.947 4.401 4.312 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.577 6.230 5.675 1.00 0.00 C ATOM 1450 CG LYS A 89 -11.606 7.308 5.978 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.007 8.703 5.912 1.00 0.00 C ATOM 1452 CE LYS A 89 -12.050 9.758 6.243 1.00 0.00 C ATOM 1453 NZ LYS A 89 -11.486 11.135 6.210 1.00 0.00 N ATOM 0 H LYS A 89 -9.157 4.285 6.285 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.926 4.814 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.728 6.348 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.202 6.369 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.429 7.233 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.025 7.140 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.173 8.778 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.605 8.884 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.874 9.687 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.464 9.560 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.232 11.821 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.717 11.212 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.114 11.335 5.260 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.885 3.917 3.562 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.348 3.442 2.258 1.00 0.00 C ATOM 1469 C TYR A 90 -12.048 2.092 2.389 1.00 0.00 C ATOM 1470 O TYR A 90 -12.920 1.748 1.591 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.173 3.318 1.289 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.712 4.637 0.719 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -8.754 5.398 1.374 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.229 5.120 -0.475 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -8.324 6.603 0.859 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -9.802 6.326 -1.000 1.00 0.00 C ATOM 1477 CZ TYR A 90 -8.848 7.062 -0.326 1.00 0.00 C ATOM 1478 OH TYR A 90 -8.414 8.261 -0.840 1.00 0.00 O ATOM 0 H TYR A 90 -9.873 3.881 3.688 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.060 4.170 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.338 2.844 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.458 2.658 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.338 5.040 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.976 4.545 -1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.579 7.183 1.384 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.212 6.690 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.688 8.333 -1.778 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.656 1.339 3.411 1.00 0.00 N ATOM 1489 CA LEU A 91 -12.218 0.020 3.671 1.00 0.00 C ATOM 1490 C LEU A 91 -13.607 0.121 4.306 1.00 0.00 C ATOM 1491 O LEU A 91 -14.528 -0.601 3.919 1.00 0.00 O ATOM 1492 CB LEU A 91 -11.266 -0.764 4.581 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.814 -2.073 5.150 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.821 -3.201 4.931 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -12.124 -1.916 6.630 1.00 0.00 C ATOM 0 H LEU A 91 -10.942 1.625 4.080 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.331 -0.505 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.358 -0.986 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.977 -0.121 5.413 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.738 -2.321 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.225 -4.126 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.642 -3.326 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.883 -2.962 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.513 -2.856 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.213 -1.649 7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.868 -1.131 6.765 1.00 0.00 H new ATOM 1507 N THR A 92 -13.752 1.019 5.278 1.00 0.00 N ATOM 1508 CA THR A 92 -15.024 1.211 5.970 1.00 0.00 C ATOM 1509 C THR A 92 -15.796 2.408 5.416 1.00 0.00 C ATOM 1510 O THR A 92 -16.744 2.888 6.044 1.00 0.00 O ATOM 1511 CB THR A 92 -14.828 1.398 7.490 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.688 0.654 7.938 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.064 0.941 8.254 1.00 0.00 C ATOM 0 H THR A 92 -13.001 1.627 5.605 1.00 0.00 H new ATOM 0 HA THR A 92 -15.602 0.304 5.796 1.00 0.00 H new ATOM 0 HB THR A 92 -14.667 2.459 7.682 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.868 1.096 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.904 1.082 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.926 1.528 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.248 -0.114 8.051 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.376 2.897 4.248 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.028 4.039 3.604 1.00 0.00 C ATOM 1523 C LEU A 93 -17.532 3.818 3.493 1.00 0.00 C ATOM 1524 O LEU A 93 -18.323 4.720 3.773 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.441 4.280 2.213 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.570 5.717 1.701 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.452 6.583 2.255 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.562 5.744 0.181 1.00 0.00 C ATOM 0 H LEU A 93 -14.585 2.519 3.727 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.848 4.917 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.386 4.008 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.933 3.612 1.506 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.521 6.121 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.560 7.601 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.503 6.590 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.489 6.181 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.655 6.773 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.627 5.321 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.399 5.157 -0.198 1.00 0.00 H new