USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=12 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= 0.315 X(o=0.31,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0131 (180deg=-0.0972) USER MOD Single : A 36 THR OG1 : rot -116:sc= 0.0279 USER MOD Single : A 41 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.013) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 52 GLN : amide:sc= 0.353 X(o=0.35,f=-0.0063) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0628) USER MOD Single : A 62 LYS NZ :NH3+ -119:sc= 0.772 (180deg=-0.0387) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 69 GLN : amide:sc=-0.00378 X(o=-0.0038,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0405 K(o=-0.041,f=-1.1!) USER MOD Single : A 78 HIS : no HE2:sc= 0.529 K(o=0.53,f=-2.3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 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 :FLIP amide:sc= -0.238 F(o=-1,f=-0.24) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0985 USER MOD Single : A 92 THR OG1 : rot 75:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.939 11.086 -5.211 1.00 0.00 N ATOM 118 CA PHE A 8 -9.283 11.127 -3.901 1.00 0.00 C ATOM 119 C PHE A 8 -8.052 10.220 -3.837 1.00 0.00 C ATOM 120 O PHE A 8 -7.378 10.160 -2.809 1.00 0.00 O ATOM 121 CB PHE A 8 -10.269 10.737 -2.796 1.00 0.00 C ATOM 122 CG PHE A 8 -11.148 11.871 -2.351 1.00 0.00 C ATOM 123 CD1 PHE A 8 -12.337 12.139 -3.009 1.00 0.00 C ATOM 124 CD2 PHE A 8 -10.784 12.670 -1.278 1.00 0.00 C ATOM 125 CE1 PHE A 8 -13.149 13.181 -2.607 1.00 0.00 C ATOM 126 CE2 PHE A 8 -11.593 13.714 -0.871 1.00 0.00 C ATOM 127 CZ PHE A 8 -12.776 13.972 -1.537 1.00 0.00 C ATOM 0 HA PHE A 8 -8.947 12.152 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.896 9.919 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.711 10.361 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.633 11.525 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.859 12.475 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.074 13.378 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.301 14.328 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.407 14.790 -1.222 1.00 0.00 H new ATOM 137 N LEU A 9 -7.755 9.524 -4.931 1.00 0.00 N ATOM 138 CA LEU A 9 -6.596 8.627 -4.972 1.00 0.00 C ATOM 139 C LEU A 9 -5.298 9.340 -5.401 1.00 0.00 C ATOM 140 O LEU A 9 -4.259 9.133 -4.774 1.00 0.00 O ATOM 141 CB LEU A 9 -6.861 7.426 -5.886 1.00 0.00 C ATOM 142 CG LEU A 9 -6.190 6.118 -5.447 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.047 5.384 -4.426 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.920 5.222 -6.648 1.00 0.00 C ATOM 0 H LEU A 9 -8.294 9.561 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.449 8.277 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.937 7.263 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.521 7.672 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.238 6.370 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.550 4.460 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.190 6.016 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.016 5.150 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.444 4.300 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.861 4.985 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.261 5.738 -7.346 1.00 0.00 H new ATOM 156 N PRO A 10 -5.312 10.179 -6.472 1.00 0.00 N ATOM 157 CA PRO A 10 -4.103 10.884 -6.931 1.00 0.00 C ATOM 158 C PRO A 10 -3.659 11.999 -5.979 1.00 0.00 C ATOM 159 O PRO A 10 -2.556 12.531 -6.113 1.00 0.00 O ATOM 160 CB PRO A 10 -4.512 11.480 -8.291 1.00 0.00 C ATOM 161 CG PRO A 10 -5.823 10.856 -8.632 1.00 0.00 C ATOM 162 CD PRO A 10 -6.465 10.500 -7.326 1.00 0.00 C ATOM 0 HA PRO A 10 -3.252 10.205 -6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.599 12.565 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.765 11.261 -9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.448 11.547 -9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.684 9.971 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.048 11.328 -6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.142 9.652 -7.426 1.00 0.00 H new ATOM 170 N GLU A 11 -4.513 12.343 -5.017 1.00 0.00 N ATOM 171 CA GLU A 11 -4.205 13.398 -4.054 1.00 0.00 C ATOM 172 C GLU A 11 -3.424 12.855 -2.855 1.00 0.00 C ATOM 173 O GLU A 11 -2.495 13.497 -2.366 1.00 0.00 O ATOM 174 CB GLU A 11 -5.495 14.068 -3.582 1.00 0.00 C ATOM 175 CG GLU A 11 -6.126 14.979 -4.625 1.00 0.00 C ATOM 176 CD GLU A 11 -7.349 15.699 -4.097 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.451 15.114 -4.152 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.207 16.847 -3.626 1.00 0.00 O ATOM 0 H GLU A 11 -5.425 11.906 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.576 14.135 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.213 13.297 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.285 14.649 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.391 15.712 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.404 14.389 -5.499 1.00 0.00 H new ATOM 185 N ILE A 12 -3.807 11.666 -2.391 1.00 0.00 N ATOM 186 CA ILE A 12 -3.146 11.030 -1.250 1.00 0.00 C ATOM 187 C ILE A 12 -1.787 10.450 -1.640 1.00 0.00 C ATOM 188 O ILE A 12 -0.886 10.352 -0.807 1.00 0.00 O ATOM 189 CB ILE A 12 -4.014 9.915 -0.614 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.615 8.998 -1.682 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.117 10.524 0.237 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.884 7.682 -1.842 1.00 0.00 C ATOM 0 H ILE A 12 -4.573 11.122 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.001 11.818 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.367 9.311 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.656 8.796 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.615 9.521 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.718 9.728 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.674 11.125 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.751 11.155 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.369 7.088 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.849 7.873 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.907 7.136 -0.899 1.00 0.00 H new ATOM 204 N LEU A 13 -1.667 10.045 -2.908 1.00 0.00 N ATOM 205 CA LEU A 13 -0.438 9.447 -3.439 1.00 0.00 C ATOM 206 C LEU A 13 0.804 10.307 -3.171 1.00 0.00 C ATOM 207 O LEU A 13 1.891 9.778 -2.966 1.00 0.00 O ATOM 208 CB LEU A 13 -0.580 9.201 -4.943 1.00 0.00 C ATOM 209 CG LEU A 13 0.297 8.077 -5.499 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.414 6.742 -5.378 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.668 8.352 -6.949 1.00 0.00 C ATOM 0 H LEU A 13 -2.418 10.122 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.296 8.501 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.623 8.970 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.340 10.124 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 13 1.215 8.036 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.223 5.953 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.629 6.538 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.347 6.775 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.292 7.541 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.239 8.421 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.217 9.291 -7.012 1.00 0.00 H new ATOM 223 N ALA A 14 0.639 11.627 -3.173 1.00 0.00 N ATOM 224 CA ALA A 14 1.757 12.538 -2.934 1.00 0.00 C ATOM 225 C ALA A 14 2.291 12.417 -1.506 1.00 0.00 C ATOM 226 O ALA A 14 3.503 12.417 -1.285 1.00 0.00 O ATOM 227 CB ALA A 14 1.329 13.971 -3.217 1.00 0.00 C ATOM 0 H ALA A 14 -0.255 12.090 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 14 2.565 12.261 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.168 14.644 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.012 14.057 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.501 14.240 -2.561 1.00 0.00 H new ATOM 233 N GLU A 15 1.377 12.301 -0.546 1.00 0.00 N ATOM 234 CA GLU A 15 1.741 12.191 0.867 1.00 0.00 C ATOM 235 C GLU A 15 2.290 10.809 1.245 1.00 0.00 C ATOM 236 O GLU A 15 2.839 10.645 2.331 1.00 0.00 O ATOM 237 CB GLU A 15 0.532 12.507 1.750 1.00 0.00 C ATOM 238 CG GLU A 15 0.175 13.984 1.809 1.00 0.00 C ATOM 239 CD GLU A 15 -1.044 14.246 2.670 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.170 14.205 2.133 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.874 14.485 3.885 1.00 0.00 O ATOM 0 H GLU A 15 0.372 12.281 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 15 2.538 12.916 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.329 11.951 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.731 12.152 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.023 14.545 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.010 14.352 0.800 1.00 0.00 H new ATOM 248 N ILE A 16 2.148 9.814 0.369 1.00 0.00 N ATOM 249 CA ILE A 16 2.634 8.468 0.685 1.00 0.00 C ATOM 250 C ILE A 16 4.047 8.210 0.155 1.00 0.00 C ATOM 251 O ILE A 16 4.826 7.512 0.796 1.00 0.00 O ATOM 252 CB ILE A 16 1.672 7.356 0.180 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.089 5.992 0.735 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.628 7.302 -1.338 1.00 0.00 C ATOM 255 CD1 ILE A 16 1.385 5.611 2.015 1.00 0.00 C ATOM 0 H ILE A 16 1.710 9.909 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 16 2.668 8.425 1.774 1.00 0.00 H new ATOM 0 HB ILE A 16 0.673 7.601 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.892 5.229 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.165 5.996 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.946 6.513 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.281 8.260 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.626 7.095 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.734 4.632 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.602 6.352 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.310 5.573 1.841 1.00 0.00 H new ATOM 267 N ILE A 17 4.390 8.779 -0.998 1.00 0.00 N ATOM 268 CA ILE A 17 5.716 8.566 -1.580 1.00 0.00 C ATOM 269 C ILE A 17 6.830 9.146 -0.703 1.00 0.00 C ATOM 270 O ILE A 17 7.903 8.554 -0.581 1.00 0.00 O ATOM 271 CB ILE A 17 5.828 9.169 -2.999 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.682 8.678 -3.887 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.168 8.804 -3.625 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.321 9.641 -4.999 1.00 0.00 C ATOM 0 H ILE A 17 3.777 9.385 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 17 5.842 7.485 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 17 5.761 10.254 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.958 7.718 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.802 8.505 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.233 9.235 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.977 9.195 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.255 7.720 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.502 9.227 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.014 10.594 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.187 9.795 -5.642 1.00 0.00 H new ATOM 286 N ALA A 18 6.563 10.287 -0.074 1.00 0.00 N ATOM 287 CA ALA A 18 7.560 10.949 0.765 1.00 0.00 C ATOM 288 C ALA A 18 7.476 10.530 2.236 1.00 0.00 C ATOM 289 O ALA A 18 8.353 10.875 3.026 1.00 0.00 O ATOM 290 CB ALA A 18 7.411 12.459 0.641 1.00 0.00 C ATOM 0 H ALA A 18 5.667 10.772 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 18 8.541 10.637 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.155 12.951 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.558 12.755 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.413 12.754 0.964 1.00 0.00 H new ATOM 296 N ASN A 19 6.428 9.795 2.606 1.00 0.00 N ATOM 297 CA ASN A 19 6.253 9.367 3.998 1.00 0.00 C ATOM 298 C ASN A 19 6.215 7.845 4.143 1.00 0.00 C ATOM 299 O ASN A 19 5.639 7.323 5.100 1.00 0.00 O ATOM 300 CB ASN A 19 4.981 9.980 4.588 1.00 0.00 C ATOM 301 CG ASN A 19 5.122 11.467 4.846 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.564 11.885 5.917 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.747 12.278 3.864 1.00 0.00 N ATOM 0 H ASN A 19 5.693 9.485 1.971 1.00 0.00 H new ATOM 0 HA ASN A 19 7.122 9.724 4.551 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.149 9.810 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.736 9.474 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.820 13.289 3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.386 11.890 2.992 1.00 0.00 H new ATOM 310 N LEU A 20 6.809 7.129 3.194 1.00 0.00 N ATOM 311 CA LEU A 20 6.819 5.668 3.252 1.00 0.00 C ATOM 312 C LEU A 20 8.188 5.102 2.903 1.00 0.00 C ATOM 313 O LEU A 20 8.911 5.651 2.071 1.00 0.00 O ATOM 314 CB LEU A 20 5.770 5.074 2.310 1.00 0.00 C ATOM 315 CG LEU A 20 5.493 3.580 2.503 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.497 3.364 3.630 1.00 0.00 C ATOM 317 CD2 LEU A 20 4.981 2.963 1.211 1.00 0.00 C ATOM 0 H LEU A 20 7.285 7.528 2.385 1.00 0.00 H new ATOM 0 HA LEU A 20 6.579 5.391 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.836 5.620 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.094 5.238 1.282 1.00 0.00 H new ATOM 0 HG LEU A 20 6.427 3.088 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.312 2.297 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.902 3.771 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.561 3.869 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.789 1.901 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.057 3.459 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.729 3.086 0.428 1.00 0.00 H new ATOM 329 N ASP A 21 8.528 3.990 3.544 1.00 0.00 N ATOM 330 CA ASP A 21 9.800 3.319 3.309 1.00 0.00 C ATOM 331 C ASP A 21 9.560 1.887 2.836 1.00 0.00 C ATOM 332 O ASP A 21 9.225 1.014 3.635 1.00 0.00 O ATOM 333 CB ASP A 21 10.646 3.325 4.585 1.00 0.00 C ATOM 334 CG ASP A 21 11.168 4.709 4.920 1.00 0.00 C ATOM 335 OD1 ASP A 21 12.249 5.073 4.412 1.00 0.00 O ATOM 336 OD2 ASP A 21 10.493 5.429 5.686 1.00 0.00 O ATOM 0 H ASP A 21 7.935 3.531 4.236 1.00 0.00 H new ATOM 0 HA ASP A 21 10.342 3.857 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.048 2.953 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.486 2.641 4.465 1.00 0.00 H new ATOM 341 N PRO A 22 9.732 1.636 1.521 1.00 0.00 N ATOM 342 CA PRO A 22 9.525 0.306 0.912 1.00 0.00 C ATOM 343 C PRO A 22 10.429 -0.783 1.488 1.00 0.00 C ATOM 344 O PRO A 22 10.132 -1.968 1.363 1.00 0.00 O ATOM 345 CB PRO A 22 9.869 0.530 -0.567 1.00 0.00 C ATOM 346 CG PRO A 22 9.747 1.997 -0.782 1.00 0.00 C ATOM 347 CD PRO A 22 10.136 2.636 0.517 1.00 0.00 C ATOM 0 HA PRO A 22 8.511 -0.048 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.877 0.182 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.188 -0.020 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.398 2.329 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.729 2.268 -1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.206 2.840 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.624 3.586 0.667 1.00 0.00 H new ATOM 355 N THR A 23 11.529 -0.379 2.114 1.00 0.00 N ATOM 356 CA THR A 23 12.481 -1.323 2.691 1.00 0.00 C ATOM 357 C THR A 23 11.987 -1.932 4.004 1.00 0.00 C ATOM 358 O THR A 23 12.056 -3.147 4.199 1.00 0.00 O ATOM 359 CB THR A 23 13.833 -0.635 2.955 1.00 0.00 C ATOM 360 OG1 THR A 23 13.615 0.702 3.424 1.00 0.00 O ATOM 361 CG2 THR A 23 14.685 -0.600 1.694 1.00 0.00 C ATOM 0 H THR A 23 11.785 0.601 2.235 1.00 0.00 H new ATOM 0 HA THR A 23 12.593 -2.124 1.960 1.00 0.00 H new ATOM 0 HB THR A 23 14.364 -1.209 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.478 1.135 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.634 -0.109 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.873 -1.618 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.159 -0.048 0.915 1.00 0.00 H new ATOM 369 N LYS A 24 11.486 -1.082 4.896 1.00 0.00 N ATOM 370 CA LYS A 24 11.020 -1.525 6.209 1.00 0.00 C ATOM 371 C LYS A 24 9.702 -2.300 6.153 1.00 0.00 C ATOM 372 O LYS A 24 9.480 -3.193 6.966 1.00 0.00 O ATOM 373 CB LYS A 24 10.873 -0.324 7.149 1.00 0.00 C ATOM 374 CG LYS A 24 11.339 -0.598 8.572 1.00 0.00 C ATOM 375 CD LYS A 24 10.969 0.541 9.509 1.00 0.00 C ATOM 376 CE LYS A 24 9.816 0.157 10.425 1.00 0.00 C ATOM 377 NZ LYS A 24 9.398 1.287 11.302 1.00 0.00 N ATOM 0 H LYS A 24 11.392 -0.079 4.734 1.00 0.00 H new ATOM 0 HA LYS A 24 11.776 -2.212 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.442 0.514 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.827 -0.018 7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.892 -1.525 8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.420 -0.741 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.836 0.816 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.694 1.419 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.967 -0.167 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.111 -0.691 11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.476 1.070 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.106 1.425 12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.320 2.156 10.735 1.00 0.00 H new ATOM 391 N ILE A 25 8.835 -1.978 5.200 1.00 0.00 N ATOM 392 CA ILE A 25 7.536 -2.655 5.100 1.00 0.00 C ATOM 393 C ILE A 25 7.603 -3.960 4.305 1.00 0.00 C ATOM 394 O ILE A 25 6.848 -4.894 4.585 1.00 0.00 O ATOM 395 CB ILE A 25 6.446 -1.746 4.487 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.959 -1.060 3.222 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.977 -0.714 5.504 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.878 -0.812 2.196 1.00 0.00 C ATOM 0 H ILE A 25 8.999 -1.263 4.492 1.00 0.00 H new ATOM 0 HA ILE A 25 7.265 -2.893 6.129 1.00 0.00 H new ATOM 0 HB ILE A 25 5.596 -2.371 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.418 -0.109 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.740 -1.675 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.210 -0.083 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.564 -1.223 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.821 -0.096 5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.310 -0.323 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.435 -1.762 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.108 -0.172 2.626 1.00 0.00 H new ATOM 410 N LEU A 26 8.493 -4.019 3.313 1.00 0.00 N ATOM 411 CA LEU A 26 8.638 -5.206 2.464 1.00 0.00 C ATOM 412 C LEU A 26 8.955 -6.462 3.276 1.00 0.00 C ATOM 413 O LEU A 26 8.526 -7.561 2.922 1.00 0.00 O ATOM 414 CB LEU A 26 9.737 -4.984 1.424 1.00 0.00 C ATOM 415 CG LEU A 26 9.601 -5.816 0.147 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.654 -5.136 -0.828 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.962 -6.037 -0.495 1.00 0.00 C ATOM 0 H LEU A 26 9.127 -3.256 3.076 1.00 0.00 H new ATOM 0 HA LEU A 26 7.681 -5.360 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.750 -3.929 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.700 -5.207 1.883 1.00 0.00 H new ATOM 0 HG LEU A 26 9.186 -6.789 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.567 -5.739 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.672 -5.029 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.043 -4.151 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.845 -6.631 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.406 -5.074 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.612 -6.565 0.203 1.00 0.00 H new ATOM 429 N GLU A 27 9.699 -6.288 4.366 1.00 0.00 N ATOM 430 CA GLU A 27 10.094 -7.402 5.225 1.00 0.00 C ATOM 431 C GLU A 27 8.900 -8.054 5.929 1.00 0.00 C ATOM 432 O GLU A 27 8.873 -9.272 6.109 1.00 0.00 O ATOM 433 CB GLU A 27 11.103 -6.915 6.263 1.00 0.00 C ATOM 434 CG GLU A 27 12.481 -6.630 5.689 1.00 0.00 C ATOM 435 CD GLU A 27 13.456 -6.142 6.741 1.00 0.00 C ATOM 436 OE1 GLU A 27 13.531 -4.913 6.954 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.141 -6.987 7.353 1.00 0.00 O ATOM 0 H GLU A 27 10.043 -5.379 4.677 1.00 0.00 H new ATOM 0 HA GLU A 27 10.545 -8.162 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.720 -6.009 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.194 -7.666 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.873 -7.536 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.396 -5.881 4.902 1.00 0.00 H new ATOM 444 N GLU A 28 7.913 -7.244 6.315 1.00 0.00 N ATOM 445 CA GLU A 28 6.728 -7.747 7.015 1.00 0.00 C ATOM 446 C GLU A 28 5.775 -8.484 6.074 1.00 0.00 C ATOM 447 O GLU A 28 5.063 -9.398 6.492 1.00 0.00 O ATOM 448 CB GLU A 28 5.985 -6.595 7.698 1.00 0.00 C ATOM 449 CG GLU A 28 6.599 -6.172 9.023 1.00 0.00 C ATOM 450 CD GLU A 28 7.638 -5.079 8.865 1.00 0.00 C ATOM 451 OE1 GLU A 28 7.244 -3.910 8.671 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.846 -5.393 8.940 1.00 0.00 O ATOM 0 H GLU A 28 7.910 -6.237 6.155 1.00 0.00 H new ATOM 0 HA GLU A 28 7.075 -8.458 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.967 -5.737 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.949 -6.891 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.810 -5.824 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.059 -7.038 9.499 1.00 0.00 H new ATOM 459 N LEU A 29 5.769 -8.082 4.805 1.00 0.00 N ATOM 460 CA LEU A 29 4.897 -8.694 3.806 1.00 0.00 C ATOM 461 C LEU A 29 5.433 -10.050 3.355 1.00 0.00 C ATOM 462 O LEU A 29 4.671 -11.003 3.180 1.00 0.00 O ATOM 463 CB LEU A 29 4.750 -7.763 2.603 1.00 0.00 C ATOM 464 CG LEU A 29 3.951 -6.487 2.875 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.512 -5.319 2.081 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.483 -6.700 2.547 1.00 0.00 C ATOM 0 H LEU A 29 6.360 -7.333 4.444 1.00 0.00 H new ATOM 0 HA LEU A 29 3.920 -8.854 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.744 -7.485 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.268 -8.311 1.793 1.00 0.00 H new ATOM 0 HG LEU A 29 4.038 -6.249 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.928 -4.423 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.550 -5.150 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.461 -5.545 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.929 -5.783 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.380 -6.965 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.085 -7.505 3.165 1.00 0.00 H new ATOM 478 N LEU A 30 6.747 -10.130 3.175 1.00 0.00 N ATOM 479 CA LEU A 30 7.395 -11.364 2.741 1.00 0.00 C ATOM 480 C LEU A 30 7.452 -12.399 3.861 1.00 0.00 C ATOM 481 O LEU A 30 7.424 -13.603 3.601 1.00 0.00 O ATOM 482 CB LEU A 30 8.808 -11.072 2.236 1.00 0.00 C ATOM 483 CG LEU A 30 8.879 -10.271 0.937 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.218 -9.563 0.821 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.650 -11.179 -0.259 1.00 0.00 C ATOM 0 H LEU A 30 7.388 -9.351 3.324 1.00 0.00 H new ATOM 0 HA LEU A 30 6.796 -11.778 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.349 -10.528 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.328 -12.019 2.090 1.00 0.00 H new ATOM 0 HG LEU A 30 8.092 -9.517 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.251 -8.997 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.344 -8.883 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.021 -10.300 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.704 -10.593 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.415 -11.955 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.666 -11.642 -0.181 1.00 0.00 H new ATOM 497 N ARG A 31 7.537 -11.926 5.105 1.00 0.00 N ATOM 498 CA ARG A 31 7.614 -12.816 6.261 1.00 0.00 C ATOM 499 C ARG A 31 6.305 -13.567 6.489 1.00 0.00 C ATOM 500 O ARG A 31 6.298 -14.649 7.076 1.00 0.00 O ATOM 501 CB ARG A 31 7.986 -12.032 7.520 1.00 0.00 C ATOM 502 CG ARG A 31 8.830 -12.834 8.500 1.00 0.00 C ATOM 503 CD ARG A 31 10.313 -12.745 8.169 1.00 0.00 C ATOM 504 NE ARG A 31 10.675 -13.573 7.016 1.00 0.00 N ATOM 505 CZ ARG A 31 11.863 -13.529 6.413 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.803 -12.700 6.848 1.00 0.00 N ATOM 507 NH2 ARG A 31 12.109 -14.316 5.374 1.00 0.00 N ATOM 0 H ARG A 31 7.554 -10.933 5.336 1.00 0.00 H new ATOM 0 HA ARG A 31 8.391 -13.550 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.531 -11.133 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.074 -11.705 8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.660 -12.467 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.515 -13.877 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.576 -11.707 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.896 -13.057 9.035 1.00 0.00 H new ATOM 0 HE ARG A 31 9.977 -14.222 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.618 -12.093 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.711 -12.669 6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.389 -14.955 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.018 -14.282 4.913 1.00 0.00 H new ATOM 521 N ARG A 32 5.199 -12.995 6.024 1.00 0.00 N ATOM 522 CA ARG A 32 3.894 -13.625 6.189 1.00 0.00 C ATOM 523 C ARG A 32 3.486 -14.387 4.930 1.00 0.00 C ATOM 524 O ARG A 32 2.542 -15.174 4.951 1.00 0.00 O ATOM 525 CB ARG A 32 2.839 -12.576 6.548 1.00 0.00 C ATOM 526 CG ARG A 32 2.964 -12.059 7.974 1.00 0.00 C ATOM 527 CD ARG A 32 2.181 -12.922 8.951 1.00 0.00 C ATOM 528 NE ARG A 32 2.277 -12.423 10.324 1.00 0.00 N ATOM 529 CZ ARG A 32 1.667 -12.995 11.362 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.927 -14.080 11.183 1.00 0.00 N ATOM 531 NH2 ARG A 32 1.799 -12.481 12.580 1.00 0.00 N ATOM 0 H ARG A 32 5.180 -12.101 5.533 1.00 0.00 H new ATOM 0 HA ARG A 32 3.966 -14.343 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.921 -11.737 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.847 -13.007 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.014 -12.040 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.602 -11.032 8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.134 -12.953 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.554 -13.945 8.910 1.00 0.00 H new ATOM 0 HE ARG A 32 2.842 -11.591 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.824 -14.479 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.461 -14.516 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.368 -11.647 12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.331 -12.921 13.373 1.00 0.00 H new ATOM 545 N GLY A 33 4.214 -14.153 3.838 1.00 0.00 N ATOM 546 CA GLY A 33 3.920 -14.826 2.585 1.00 0.00 C ATOM 547 C GLY A 33 2.815 -14.146 1.799 1.00 0.00 C ATOM 548 O GLY A 33 2.012 -14.811 1.147 1.00 0.00 O ATOM 0 H GLY A 33 5.003 -13.508 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.824 -14.862 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.632 -15.857 2.790 1.00 0.00 H new ATOM 552 N LEU A 34 2.775 -12.816 1.860 1.00 0.00 N ATOM 553 CA LEU A 34 1.758 -12.043 1.149 1.00 0.00 C ATOM 554 C LEU A 34 2.272 -11.541 -0.197 1.00 0.00 C ATOM 555 O LEU A 34 1.489 -11.121 -1.048 1.00 0.00 O ATOM 556 CB LEU A 34 1.310 -10.850 2.000 1.00 0.00 C ATOM 557 CG LEU A 34 -0.066 -10.274 1.649 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.794 -9.832 2.907 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.073 -9.110 0.674 1.00 0.00 C ATOM 0 H LEU A 34 3.435 -12.251 2.394 1.00 0.00 H new ATOM 0 HA LEU A 34 0.911 -12.705 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.302 -11.154 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.052 -10.058 1.904 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.654 -11.056 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.769 -9.426 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.927 -10.687 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.209 -9.066 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.915 -8.714 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.679 -8.326 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.554 -9.457 -0.240 1.00 0.00 H new ATOM 571 N LEU A 35 3.576 -11.620 -0.413 1.00 0.00 N ATOM 572 CA LEU A 35 4.151 -11.127 -1.652 1.00 0.00 C ATOM 573 C LEU A 35 4.650 -12.272 -2.528 1.00 0.00 C ATOM 574 O LEU A 35 5.306 -13.195 -2.043 1.00 0.00 O ATOM 575 CB LEU A 35 5.303 -10.170 -1.350 1.00 0.00 C ATOM 576 CG LEU A 35 5.315 -8.884 -2.178 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.007 -7.766 -1.417 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.996 -9.119 -3.517 1.00 0.00 C ATOM 0 H LEU A 35 4.248 -12.016 0.245 1.00 0.00 H new ATOM 0 HA LEU A 35 3.369 -10.598 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.265 -9.903 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.244 -10.696 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 35 4.283 -8.585 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.006 -6.859 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.477 -7.580 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.035 -8.056 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.995 -8.194 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.024 -9.442 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.458 -9.890 -4.069 1.00 0.00 H new ATOM 590 N THR A 36 4.331 -12.207 -3.821 1.00 0.00 N ATOM 591 CA THR A 36 4.752 -13.235 -4.766 1.00 0.00 C ATOM 592 C THR A 36 5.952 -12.773 -5.587 1.00 0.00 C ATOM 593 O THR A 36 6.144 -11.577 -5.792 1.00 0.00 O ATOM 594 CB THR A 36 3.608 -13.623 -5.725 1.00 0.00 C ATOM 595 OG1 THR A 36 3.042 -12.444 -6.310 1.00 0.00 O ATOM 596 CG2 THR A 36 2.532 -14.406 -4.991 1.00 0.00 C ATOM 0 H THR A 36 3.783 -11.453 -4.235 1.00 0.00 H new ATOM 0 HA THR A 36 5.033 -14.107 -4.176 1.00 0.00 H new ATOM 0 HB THR A 36 4.017 -14.256 -6.513 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.108 -12.354 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.735 -14.669 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.964 -15.315 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.124 -13.796 -4.185 1.00 0.00 H new ATOM 604 N PRO A 37 6.774 -13.724 -6.064 1.00 0.00 N ATOM 605 CA PRO A 37 7.967 -13.427 -6.875 1.00 0.00 C ATOM 606 C PRO A 37 7.642 -12.707 -8.189 1.00 0.00 C ATOM 607 O PRO A 37 8.470 -11.962 -8.712 1.00 0.00 O ATOM 608 CB PRO A 37 8.571 -14.812 -7.154 1.00 0.00 C ATOM 609 CG PRO A 37 7.468 -15.781 -6.898 1.00 0.00 C ATOM 610 CD PRO A 37 6.621 -15.169 -5.826 1.00 0.00 C ATOM 0 HA PRO A 37 8.641 -12.748 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.929 -14.885 -8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.424 -15.007 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.886 -15.957 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.863 -16.746 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.580 -15.483 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.964 -15.452 -4.831 1.00 0.00 H new ATOM 618 N ALA A 38 6.434 -12.934 -8.712 1.00 0.00 N ATOM 619 CA ALA A 38 5.993 -12.302 -9.956 1.00 0.00 C ATOM 620 C ALA A 38 5.783 -10.802 -9.762 1.00 0.00 C ATOM 621 O ALA A 38 6.207 -9.992 -10.587 1.00 0.00 O ATOM 622 CB ALA A 38 4.712 -12.957 -10.448 1.00 0.00 C ATOM 0 H ALA A 38 5.742 -13.554 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 38 6.772 -12.439 -10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.392 -12.480 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.892 -14.017 -10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.933 -12.845 -9.694 1.00 0.00 H new ATOM 628 N GLU A 39 5.127 -10.446 -8.659 1.00 0.00 N ATOM 629 CA GLU A 39 4.864 -9.048 -8.327 1.00 0.00 C ATOM 630 C GLU A 39 6.135 -8.379 -7.812 1.00 0.00 C ATOM 631 O GLU A 39 6.366 -7.187 -8.035 1.00 0.00 O ATOM 632 CB GLU A 39 3.768 -8.962 -7.261 1.00 0.00 C ATOM 633 CG GLU A 39 2.384 -9.333 -7.769 1.00 0.00 C ATOM 634 CD GLU A 39 1.404 -9.585 -6.640 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.326 -8.739 -5.724 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.716 -10.627 -6.672 1.00 0.00 O ATOM 0 H GLU A 39 4.766 -11.112 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 39 4.532 -8.532 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.029 -9.620 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.739 -7.947 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.006 -8.531 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.455 -10.225 -8.391 1.00 0.00 H new ATOM 643 N LEU A 40 6.952 -9.174 -7.124 1.00 0.00 N ATOM 644 CA LEU A 40 8.211 -8.713 -6.547 1.00 0.00 C ATOM 645 C LEU A 40 9.172 -8.205 -7.616 1.00 0.00 C ATOM 646 O LEU A 40 9.580 -7.048 -7.583 1.00 0.00 O ATOM 647 CB LEU A 40 8.863 -9.860 -5.765 1.00 0.00 C ATOM 648 CG LEU A 40 9.677 -9.447 -4.534 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.783 -10.602 -3.550 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.066 -8.979 -4.941 1.00 0.00 C ATOM 0 H LEU A 40 6.758 -10.160 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 40 7.991 -7.881 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.081 -10.549 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.516 -10.411 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 40 9.159 -8.620 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.365 -10.289 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.785 -10.900 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.276 -11.446 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.628 -8.690 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.587 -9.788 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.980 -8.123 -5.610 1.00 0.00 H new ATOM 662 N GLN A 41 9.520 -9.080 -8.559 1.00 0.00 N ATOM 663 CA GLN A 41 10.453 -8.761 -9.634 1.00 0.00 C ATOM 664 C GLN A 41 10.068 -7.515 -10.433 1.00 0.00 C ATOM 665 O GLN A 41 10.937 -6.855 -10.997 1.00 0.00 O ATOM 666 CB GLN A 41 10.551 -9.955 -10.576 1.00 0.00 C ATOM 667 CG GLN A 41 11.958 -10.228 -11.070 1.00 0.00 C ATOM 668 CD GLN A 41 12.852 -10.829 -9.998 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.825 -12.036 -9.765 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.650 -9.994 -9.334 1.00 0.00 N ATOM 0 H GLN A 41 9.160 -10.034 -8.597 1.00 0.00 H new ATOM 0 HA GLN A 41 11.413 -8.543 -9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.177 -10.842 -10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.901 -9.784 -11.434 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.914 -10.906 -11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.400 -9.297 -11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.644 -8.998 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.267 -10.350 -8.604 1.00 0.00 H new ATOM 679 N GLU A 42 8.779 -7.192 -10.482 1.00 0.00 N ATOM 680 CA GLU A 42 8.313 -6.038 -11.239 1.00 0.00 C ATOM 681 C GLU A 42 8.626 -4.714 -10.531 1.00 0.00 C ATOM 682 O GLU A 42 9.320 -3.848 -11.084 1.00 0.00 O ATOM 683 CB GLU A 42 6.807 -6.165 -11.468 1.00 0.00 C ATOM 684 CG GLU A 42 6.438 -7.018 -12.674 1.00 0.00 C ATOM 685 CD GLU A 42 6.573 -6.271 -13.987 1.00 0.00 C ATOM 686 OE1 GLU A 42 5.594 -5.614 -14.397 1.00 0.00 O ATOM 687 OE2 GLU A 42 7.657 -6.345 -14.603 1.00 0.00 O ATOM 0 H GLU A 42 8.041 -7.713 -10.007 1.00 0.00 H new ATOM 0 HA GLU A 42 8.842 -6.024 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.349 -6.594 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.383 -5.169 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.076 -7.902 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.412 -7.369 -12.565 1.00 0.00 H new ATOM 694 N VAL A 43 8.152 -4.573 -9.294 1.00 0.00 N ATOM 695 CA VAL A 43 8.370 -3.344 -8.536 1.00 0.00 C ATOM 696 C VAL A 43 9.808 -3.253 -8.015 1.00 0.00 C ATOM 697 O VAL A 43 10.317 -2.161 -7.775 1.00 0.00 O ATOM 698 CB VAL A 43 7.347 -3.192 -7.377 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.454 -4.332 -6.380 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.506 -1.849 -6.674 1.00 0.00 C ATOM 0 H VAL A 43 7.619 -5.288 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 43 8.211 -2.514 -9.224 1.00 0.00 H new ATOM 0 HB VAL A 43 6.352 -3.231 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.722 -4.190 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.260 -5.278 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.456 -4.348 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.777 -1.772 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.512 -1.771 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.343 -1.043 -7.389 1.00 0.00 H new ATOM 710 N LEU A 44 10.472 -4.394 -7.867 1.00 0.00 N ATOM 711 CA LEU A 44 11.853 -4.403 -7.396 1.00 0.00 C ATOM 712 C LEU A 44 12.807 -4.058 -8.533 1.00 0.00 C ATOM 713 O LEU A 44 13.958 -3.684 -8.303 1.00 0.00 O ATOM 714 CB LEU A 44 12.218 -5.761 -6.800 1.00 0.00 C ATOM 715 CG LEU A 44 13.499 -5.777 -5.966 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.197 -5.427 -4.518 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.181 -7.133 -6.061 1.00 0.00 C ATOM 0 H LEU A 44 10.082 -5.316 -8.064 1.00 0.00 H new ATOM 0 HA LEU A 44 11.947 -3.648 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.392 -6.101 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.322 -6.481 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 44 14.179 -5.024 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.121 -5.443 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.756 -4.432 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.498 -6.155 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.091 -7.125 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.508 -7.906 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.434 -7.341 -7.101 1.00 0.00 H new ATOM 729 N ASP A 45 12.313 -4.180 -9.765 1.00 0.00 N ATOM 730 CA ASP A 45 13.109 -3.871 -10.943 1.00 0.00 C ATOM 731 C ASP A 45 13.168 -2.368 -11.164 1.00 0.00 C ATOM 732 O ASP A 45 14.245 -1.814 -11.391 1.00 0.00 O ATOM 733 CB ASP A 45 12.528 -4.555 -12.182 1.00 0.00 C ATOM 734 CG ASP A 45 13.588 -4.871 -13.220 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.225 -5.938 -13.112 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.778 -4.050 -14.143 1.00 0.00 O ATOM 0 H ASP A 45 11.363 -4.491 -9.969 1.00 0.00 H new ATOM 0 HA ASP A 45 14.119 -4.245 -10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.029 -5.477 -11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.769 -3.911 -12.626 1.00 0.00 H new ATOM 741 N LEU A 46 12.012 -1.704 -11.083 1.00 0.00 N ATOM 742 CA LEU A 46 11.970 -0.254 -11.286 1.00 0.00 C ATOM 743 C LEU A 46 12.690 0.480 -10.161 1.00 0.00 C ATOM 744 O LEU A 46 12.617 0.086 -8.995 1.00 0.00 O ATOM 745 CB LEU A 46 10.534 0.276 -11.404 1.00 0.00 C ATOM 746 CG LEU A 46 9.482 -0.431 -10.550 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.214 0.356 -9.279 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.197 -0.614 -11.338 1.00 0.00 C ATOM 0 H LEU A 46 11.110 -2.136 -10.883 1.00 0.00 H new ATOM 0 HA LEU A 46 12.482 -0.062 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.536 1.333 -11.139 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.229 0.209 -12.448 1.00 0.00 H new ATOM 0 HG LEU A 46 9.864 -1.414 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.463 -0.161 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.136 0.444 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.851 1.351 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.458 -1.119 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.813 0.361 -11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.397 -1.215 -12.225 1.00 0.00 H new ATOM 760 N LYS A 47 13.388 1.547 -10.524 1.00 0.00 N ATOM 761 CA LYS A 47 14.119 2.352 -9.556 1.00 0.00 C ATOM 762 C LYS A 47 13.412 3.682 -9.342 1.00 0.00 C ATOM 763 O LYS A 47 13.959 4.597 -8.728 1.00 0.00 O ATOM 764 CB LYS A 47 15.547 2.597 -10.041 1.00 0.00 C ATOM 765 CG LYS A 47 16.460 1.394 -9.884 1.00 0.00 C ATOM 766 CD LYS A 47 17.872 1.706 -10.351 1.00 0.00 C ATOM 767 CE LYS A 47 18.782 0.493 -10.235 1.00 0.00 C ATOM 768 NZ LYS A 47 19.165 0.217 -8.822 1.00 0.00 N ATOM 0 H LYS A 47 13.463 1.876 -11.486 1.00 0.00 H new ATOM 0 HA LYS A 47 14.155 1.811 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.520 2.887 -11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.969 3.437 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.481 1.085 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.062 0.556 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.847 2.045 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.279 2.525 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.278 -0.379 -10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.681 0.656 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.785 -0.617 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.668 1.039 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.309 0.036 -8.259 1.00 0.00 H new ATOM 782 N THR A 48 12.191 3.779 -9.858 1.00 0.00 N ATOM 783 CA THR A 48 11.395 4.994 -9.741 1.00 0.00 C ATOM 784 C THR A 48 10.589 5.002 -8.439 1.00 0.00 C ATOM 785 O THR A 48 9.655 4.220 -8.286 1.00 0.00 O ATOM 786 CB THR A 48 10.449 5.137 -10.950 1.00 0.00 C ATOM 787 OG1 THR A 48 10.001 3.841 -11.370 1.00 0.00 O ATOM 788 CG2 THR A 48 11.162 5.828 -12.106 1.00 0.00 C ATOM 0 H THR A 48 11.729 3.024 -10.365 1.00 0.00 H new ATOM 0 HA THR A 48 12.079 5.842 -9.725 1.00 0.00 H new ATOM 0 HB THR A 48 9.592 5.742 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.399 3.936 -12.137 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.480 5.921 -12.951 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.488 6.820 -11.792 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.029 5.238 -12.403 1.00 0.00 H new ATOM 796 N PRO A 49 10.947 5.897 -7.492 1.00 0.00 N ATOM 797 CA PRO A 49 10.276 6.007 -6.180 1.00 0.00 C ATOM 798 C PRO A 49 8.768 6.228 -6.282 1.00 0.00 C ATOM 799 O PRO A 49 8.001 5.672 -5.495 1.00 0.00 O ATOM 800 CB PRO A 49 10.949 7.227 -5.540 1.00 0.00 C ATOM 801 CG PRO A 49 12.263 7.345 -6.226 1.00 0.00 C ATOM 802 CD PRO A 49 12.034 6.882 -7.633 1.00 0.00 C ATOM 0 HA PRO A 49 10.376 5.085 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.349 8.127 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.075 7.090 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.623 8.374 -6.207 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.018 6.734 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.748 7.706 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.931 6.433 -8.060 1.00 0.00 H new ATOM 810 N GLU A 50 8.353 7.044 -7.249 1.00 0.00 N ATOM 811 CA GLU A 50 6.936 7.333 -7.459 1.00 0.00 C ATOM 812 C GLU A 50 6.177 6.067 -7.864 1.00 0.00 C ATOM 813 O GLU A 50 5.058 5.830 -7.411 1.00 0.00 O ATOM 814 CB GLU A 50 6.767 8.401 -8.542 1.00 0.00 C ATOM 815 CG GLU A 50 7.309 9.768 -8.154 1.00 0.00 C ATOM 816 CD GLU A 50 7.116 10.794 -9.251 1.00 0.00 C ATOM 817 OE1 GLU A 50 6.049 11.442 -9.279 1.00 0.00 O ATOM 818 OE2 GLU A 50 8.032 10.948 -10.087 1.00 0.00 O ATOM 0 H GLU A 50 8.979 7.517 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 50 6.524 7.704 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.270 8.066 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.708 8.496 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.810 10.110 -7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.370 9.683 -7.921 1.00 0.00 H new ATOM 825 N GLU A 51 6.807 5.260 -8.717 1.00 0.00 N ATOM 826 CA GLU A 51 6.213 4.016 -9.196 1.00 0.00 C ATOM 827 C GLU A 51 6.230 2.932 -8.116 1.00 0.00 C ATOM 828 O GLU A 51 5.345 2.081 -8.075 1.00 0.00 O ATOM 829 CB GLU A 51 6.955 3.526 -10.441 1.00 0.00 C ATOM 830 CG GLU A 51 6.118 2.638 -11.348 1.00 0.00 C ATOM 831 CD GLU A 51 6.539 2.727 -12.801 1.00 0.00 C ATOM 832 OE1 GLU A 51 7.686 2.340 -13.113 1.00 0.00 O ATOM 833 OE2 GLU A 51 5.720 3.180 -13.628 1.00 0.00 O ATOM 0 H GLU A 51 7.736 5.449 -9.092 1.00 0.00 H new ATOM 0 HA GLU A 51 5.173 4.219 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.298 4.390 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.843 2.976 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.199 1.604 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.069 2.921 -11.260 1.00 0.00 H new ATOM 840 N GLN A 52 7.254 2.964 -7.255 1.00 0.00 N ATOM 841 CA GLN A 52 7.397 1.985 -6.171 1.00 0.00 C ATOM 842 C GLN A 52 6.196 2.015 -5.231 1.00 0.00 C ATOM 843 O GLN A 52 5.566 0.984 -4.984 1.00 0.00 O ATOM 844 CB GLN A 52 8.681 2.253 -5.382 1.00 0.00 C ATOM 845 CG GLN A 52 9.943 2.026 -6.198 1.00 0.00 C ATOM 846 CD GLN A 52 10.925 1.095 -5.522 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.669 1.497 -4.628 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.932 -0.157 -5.951 1.00 0.00 N ATOM 0 H GLN A 52 7.999 3.660 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 52 7.450 0.994 -6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.670 3.281 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.702 1.607 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.671 1.615 -7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.428 2.985 -6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.297 -0.445 -6.695 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.573 -0.834 -5.537 1.00 0.00 H new ATOM 857 N ALA A 53 5.880 3.201 -4.713 1.00 0.00 N ATOM 858 CA ALA A 53 4.751 3.366 -3.806 1.00 0.00 C ATOM 859 C ALA A 53 3.433 3.112 -4.529 1.00 0.00 C ATOM 860 O ALA A 53 2.516 2.515 -3.967 1.00 0.00 O ATOM 861 CB ALA A 53 4.761 4.757 -3.188 1.00 0.00 C ATOM 0 H ALA A 53 6.392 4.061 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 53 4.848 2.632 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.911 4.862 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.686 4.901 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.693 5.506 -3.977 1.00 0.00 H new ATOM 867 N LYS A 54 3.359 3.555 -5.787 1.00 0.00 N ATOM 868 CA LYS A 54 2.161 3.378 -6.606 1.00 0.00 C ATOM 869 C LYS A 54 1.853 1.898 -6.821 1.00 0.00 C ATOM 870 O LYS A 54 0.693 1.495 -6.820 1.00 0.00 O ATOM 871 CB LYS A 54 2.340 4.069 -7.959 1.00 0.00 C ATOM 872 CG LYS A 54 1.040 4.578 -8.560 1.00 0.00 C ATOM 873 CD LYS A 54 1.261 5.251 -9.906 1.00 0.00 C ATOM 874 CE LYS A 54 -0.052 5.742 -10.494 1.00 0.00 C ATOM 875 NZ LYS A 54 0.134 6.395 -11.820 1.00 0.00 N ATOM 0 H LYS A 54 4.120 4.041 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 54 1.323 3.830 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.028 4.906 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.803 3.370 -8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.346 3.746 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.575 5.285 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.947 6.090 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.731 4.549 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.738 4.902 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.515 6.448 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.787 6.714 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.768 7.213 -11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.551 5.715 -12.487 1.00 0.00 H new ATOM 889 N LYS A 55 2.905 1.100 -7.001 1.00 0.00 N ATOM 890 CA LYS A 55 2.762 -0.337 -7.218 1.00 0.00 C ATOM 891 C LYS A 55 2.192 -1.027 -5.989 1.00 0.00 C ATOM 892 O LYS A 55 1.313 -1.870 -6.105 1.00 0.00 O ATOM 893 CB LYS A 55 4.110 -0.959 -7.587 1.00 0.00 C ATOM 894 CG LYS A 55 4.139 -1.557 -8.985 1.00 0.00 C ATOM 895 CD LYS A 55 4.373 -0.487 -10.038 1.00 0.00 C ATOM 896 CE LYS A 55 4.092 -1.002 -11.441 1.00 0.00 C ATOM 897 NZ LYS A 55 4.391 0.026 -12.476 1.00 0.00 N ATOM 0 H LYS A 55 3.871 1.428 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 55 2.065 -0.480 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.886 -0.197 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.353 -1.736 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.927 -2.308 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.196 -2.067 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.734 0.372 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.404 -0.139 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.692 -1.892 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.046 -1.301 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.092 -0.324 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.877 0.902 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.413 0.218 -12.489 1.00 0.00 H new ATOM 911 N LEU A 56 2.679 -0.644 -4.816 1.00 0.00 N ATOM 912 CA LEU A 56 2.220 -1.241 -3.566 1.00 0.00 C ATOM 913 C LEU A 56 0.754 -0.939 -3.300 1.00 0.00 C ATOM 914 O LEU A 56 -0.011 -1.838 -2.965 1.00 0.00 O ATOM 915 CB LEU A 56 3.058 -0.737 -2.405 1.00 0.00 C ATOM 916 CG LEU A 56 3.084 -1.653 -1.181 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.329 -2.525 -1.189 1.00 0.00 C ATOM 918 CD2 LEU A 56 3.010 -0.833 0.098 1.00 0.00 C ATOM 0 H LEU A 56 3.392 0.077 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 56 2.332 -2.321 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.081 -0.590 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.681 0.240 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 56 2.212 -2.306 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.328 -3.169 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.337 -3.140 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.216 -1.892 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.030 -1.500 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.862 -0.155 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.085 -0.256 0.107 1.00 0.00 H new ATOM 930 N ILE A 57 0.370 0.329 -3.443 1.00 0.00 N ATOM 931 CA ILE A 57 -1.015 0.735 -3.219 1.00 0.00 C ATOM 932 C ILE A 57 -1.931 0.085 -4.253 1.00 0.00 C ATOM 933 O ILE A 57 -3.102 -0.193 -3.983 1.00 0.00 O ATOM 934 CB ILE A 57 -1.177 2.271 -3.273 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.217 2.943 -2.291 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.612 2.672 -2.960 1.00 0.00 C ATOM 937 CD1 ILE A 57 0.128 4.365 -2.668 1.00 0.00 C ATOM 0 H ILE A 57 0.996 1.089 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.296 0.400 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.937 2.604 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.663 2.937 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.701 2.357 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.704 3.757 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.283 2.221 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.877 2.325 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.813 4.781 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.603 4.376 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.782 4.964 -2.698 1.00 0.00 H new ATOM 949 N ASP A 58 -1.373 -0.176 -5.429 1.00 0.00 N ATOM 950 CA ASP A 58 -2.113 -0.800 -6.513 1.00 0.00 C ATOM 951 C ASP A 58 -2.233 -2.304 -6.295 1.00 0.00 C ATOM 952 O ASP A 58 -3.158 -2.935 -6.797 1.00 0.00 O ATOM 953 CB ASP A 58 -1.420 -0.524 -7.850 1.00 0.00 C ATOM 954 CG ASP A 58 -2.095 0.578 -8.641 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.006 1.752 -8.220 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.710 0.269 -9.685 1.00 0.00 O ATOM 0 H ASP A 58 -0.402 0.038 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.115 -0.372 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.381 -0.250 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.409 -1.438 -8.444 1.00 0.00 H new ATOM 961 N PHE A 59 -1.304 -2.878 -5.530 1.00 0.00 N ATOM 962 CA PHE A 59 -1.318 -4.315 -5.275 1.00 0.00 C ATOM 963 C PHE A 59 -2.162 -4.680 -4.053 1.00 0.00 C ATOM 964 O PHE A 59 -2.554 -5.835 -3.894 1.00 0.00 O ATOM 965 CB PHE A 59 0.109 -4.841 -5.106 1.00 0.00 C ATOM 966 CG PHE A 59 0.789 -5.145 -6.411 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.147 -5.899 -7.380 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.060 -4.664 -6.674 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.760 -6.167 -8.587 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.681 -4.931 -7.880 1.00 0.00 C ATOM 971 CZ PHE A 59 2.029 -5.682 -8.838 1.00 0.00 C ATOM 0 H PHE A 59 -0.540 -2.374 -5.081 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.778 -4.789 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.698 -4.104 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.086 -5.745 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.845 -6.281 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.572 -4.074 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.248 -6.755 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.674 -4.553 -8.072 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.510 -5.890 -9.782 1.00 0.00 H new ATOM 981 N ILE A 60 -2.449 -3.703 -3.199 1.00 0.00 N ATOM 982 CA ILE A 60 -3.241 -3.955 -1.994 1.00 0.00 C ATOM 983 C ILE A 60 -4.719 -3.617 -2.196 1.00 0.00 C ATOM 984 O ILE A 60 -5.589 -4.213 -1.558 1.00 0.00 O ATOM 985 CB ILE A 60 -2.696 -3.173 -0.776 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.542 -1.683 -1.099 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.361 -3.755 -0.337 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.649 -0.819 -0.534 1.00 0.00 C ATOM 0 H ILE A 60 -2.149 -2.735 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.154 -5.023 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.414 -3.270 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.586 -1.333 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.511 -1.556 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.986 -3.198 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.493 -4.801 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.646 -3.684 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.472 0.222 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.607 -1.141 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.667 -0.915 0.552 1.00 0.00 H new ATOM 1000 N LEU A 61 -4.999 -2.667 -3.087 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.372 -2.254 -3.363 1.00 0.00 C ATOM 1002 C LEU A 61 -7.064 -3.239 -4.307 1.00 0.00 C ATOM 1003 O LEU A 61 -8.274 -3.162 -4.521 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.401 -0.849 -3.967 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.679 -0.053 -3.692 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.641 0.556 -2.299 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.871 1.031 -4.743 1.00 0.00 C ATOM 0 H LEU A 61 -4.293 -2.170 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.912 -2.245 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.551 -0.287 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.267 -0.931 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.526 -0.737 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.558 1.118 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.553 -0.238 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.784 1.225 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.785 1.586 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.020 1.712 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.946 0.573 -5.729 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.287 -4.167 -4.861 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.818 -5.159 -5.789 1.00 0.00 C ATOM 1021 C LYS A 62 -7.114 -6.483 -5.093 1.00 0.00 C ATOM 1022 O LYS A 62 -7.772 -7.354 -5.661 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.830 -5.391 -6.928 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.832 -4.284 -7.962 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.844 -4.571 -9.076 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.775 -3.422 -10.066 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.050 -2.252 -9.502 1.00 0.00 N ATOM 0 H LYS A 62 -5.286 -4.252 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.755 -4.769 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.826 -5.489 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.067 -6.336 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.833 -4.175 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.581 -3.337 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.856 -4.747 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.135 -5.484 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.276 -3.755 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.785 -3.123 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.688 -1.431 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.724 -2.476 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.231 -2.029 -10.102 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.625 -6.637 -3.867 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.843 -7.865 -3.117 1.00 0.00 C ATOM 1043 C LEU A 63 -8.103 -7.773 -2.262 1.00 0.00 C ATOM 1044 O LEU A 63 -8.759 -6.730 -2.209 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.632 -8.176 -2.240 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.389 -8.650 -2.996 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.143 -8.449 -2.149 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.528 -10.110 -3.400 1.00 0.00 C ATOM 0 H LEU A 63 -6.078 -5.930 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.978 -8.675 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.374 -7.282 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.913 -8.942 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.292 -8.053 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.268 -8.791 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.031 -7.391 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.235 -9.020 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.633 -10.426 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.652 -10.724 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.398 -10.228 -4.046 1.00 0.00 H new ATOM 1060 N SER A 64 -8.432 -8.871 -1.590 1.00 0.00 N ATOM 1061 CA SER A 64 -9.614 -8.931 -0.742 1.00 0.00 C ATOM 1062 C SER A 64 -9.344 -8.290 0.626 1.00 0.00 C ATOM 1063 O SER A 64 -8.191 -8.065 0.991 1.00 0.00 O ATOM 1064 CB SER A 64 -10.056 -10.391 -0.582 1.00 0.00 C ATOM 1065 OG SER A 64 -8.987 -11.209 -0.134 1.00 0.00 O ATOM 0 H SER A 64 -7.892 -9.736 -1.618 1.00 0.00 H new ATOM 0 HA SER A 64 -10.416 -8.366 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.881 -10.447 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.429 -10.766 -1.535 1.00 0.00 H new ATOM 0 HG SER A 64 -9.299 -12.133 -0.040 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.412 -7.971 1.391 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.295 -7.351 2.727 1.00 0.00 C ATOM 1073 C PRO A 65 -9.406 -8.133 3.706 1.00 0.00 C ATOM 1074 O PRO A 65 -8.836 -7.553 4.628 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.740 -7.323 3.230 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.575 -7.335 1.999 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.825 -8.167 1.003 1.00 0.00 C ATOM 0 HA PRO A 65 -9.817 -6.373 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.955 -8.185 3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.932 -6.433 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.560 -7.758 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.732 -6.324 1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.115 -9.216 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.011 -7.836 -0.019 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.307 -9.450 3.516 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.491 -10.298 4.386 1.00 0.00 C ATOM 1087 C ALA A 66 -6.995 -10.048 4.176 1.00 0.00 C ATOM 1088 O ALA A 66 -6.182 -10.309 5.064 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.819 -11.762 4.137 1.00 0.00 C ATOM 0 H ALA A 66 -9.782 -9.953 2.766 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.726 -10.044 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.208 -12.388 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.873 -11.940 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.611 -12.010 3.096 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.645 -9.537 2.996 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.252 -9.252 2.650 1.00 0.00 C ATOM 1097 C ASP A 67 -4.740 -7.990 3.344 1.00 0.00 C ATOM 1098 O ASP A 67 -3.619 -7.968 3.855 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.115 -9.105 1.134 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.073 -10.448 0.433 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -3.985 -11.062 0.391 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.127 -10.885 -0.073 1.00 0.00 O ATOM 0 H ASP A 67 -7.312 -9.310 2.258 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.645 -10.089 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.952 -8.522 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.206 -8.548 0.905 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.568 -6.944 3.370 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.180 -5.678 3.993 1.00 0.00 C ATOM 1109 C VAL A 68 -5.145 -5.785 5.518 1.00 0.00 C ATOM 1110 O VAL A 68 -4.366 -5.092 6.169 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.102 -4.501 3.584 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.746 -3.993 2.193 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.573 -4.888 3.653 1.00 0.00 C ATOM 0 H VAL A 68 -6.506 -6.948 2.969 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.176 -5.467 3.624 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.939 -3.695 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.406 -3.167 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.712 -3.648 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.865 -4.800 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.187 -4.037 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.762 -5.722 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.824 -5.182 4.672 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.007 -6.644 6.077 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.099 -6.850 7.529 1.00 0.00 C ATOM 1125 C GLN A 69 -4.733 -7.134 8.162 1.00 0.00 C ATOM 1126 O GLN A 69 -4.438 -6.653 9.258 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.060 -8.002 7.837 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.780 -7.861 9.170 1.00 0.00 C ATOM 1129 CD GLN A 69 -8.957 -6.909 9.097 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.064 -7.300 8.729 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.724 -5.650 9.444 1.00 0.00 N ATOM 0 H GLN A 69 -6.659 -7.214 5.538 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.478 -5.925 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.800 -8.068 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.503 -8.939 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.129 -8.841 9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.077 -7.507 9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.791 -5.368 9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.478 -4.964 9.411 1.00 0.00 H new ATOM 1140 N ALA A 70 -3.904 -7.905 7.459 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.571 -8.264 7.939 1.00 0.00 C ATOM 1142 C ALA A 70 -1.642 -7.052 7.971 1.00 0.00 C ATOM 1143 O ALA A 70 -0.811 -6.918 8.871 1.00 0.00 O ATOM 1144 CB ALA A 70 -1.985 -9.356 7.055 1.00 0.00 C ATOM 0 H ALA A 70 -4.136 -8.296 6.546 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.664 -8.634 8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.991 -9.622 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.629 -10.235 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.914 -8.995 6.029 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.801 -6.166 6.988 1.00 0.00 N ATOM 1151 CA ARG A 71 -0.982 -4.960 6.880 1.00 0.00 C ATOM 1152 C ARG A 71 -1.366 -3.928 7.937 1.00 0.00 C ATOM 1153 O ARG A 71 -0.504 -3.237 8.472 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.142 -4.336 5.497 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.471 -5.116 4.378 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.510 -4.342 3.069 1.00 0.00 C ATOM 1157 NE ARG A 71 0.414 -3.206 3.078 1.00 0.00 N ATOM 1158 CZ ARG A 71 0.077 -1.958 2.742 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -1.163 -1.668 2.369 1.00 0.00 N ATOM 1160 NH2 ARG A 71 0.987 -0.996 2.788 1.00 0.00 N ATOM 0 H ARG A 71 -2.497 -6.263 6.249 1.00 0.00 H new ATOM 0 HA ARG A 71 0.055 -5.254 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.205 -4.244 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.732 -3.326 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.564 -5.327 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.970 -6.077 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.257 -5.009 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.524 -3.984 2.889 1.00 0.00 H new ATOM 0 HE ARG A 71 1.379 -3.379 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.871 -2.402 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.408 -0.711 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.941 -1.210 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.734 -0.042 2.532 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.664 -3.821 8.223 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.157 -2.869 9.219 1.00 0.00 C ATOM 1176 C ILE A 72 -2.645 -3.242 10.614 1.00 0.00 C ATOM 1177 O ILE A 72 -2.434 -2.374 11.462 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.708 -2.803 9.217 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.220 -2.343 7.851 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.229 -1.866 10.302 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.466 -3.069 7.392 1.00 0.00 C ATOM 0 H ILE A 72 -3.392 -4.381 7.780 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.777 -1.882 8.954 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.079 -3.807 9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.428 -1.274 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.433 -2.487 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.318 -1.844 10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.900 -2.222 11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.841 -0.862 10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.770 -2.690 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.259 -4.136 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.269 -2.905 8.111 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.428 -4.540 10.828 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.931 -5.042 12.109 1.00 0.00 C ATOM 1195 C ASN A 73 -0.481 -4.619 12.355 1.00 0.00 C ATOM 1196 O ASN A 73 -0.149 -4.123 13.431 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.033 -6.568 12.159 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.459 -7.057 12.328 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.295 -6.381 12.927 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.744 -8.241 11.800 1.00 0.00 N ATOM 0 H ASN A 73 -2.589 -5.265 10.128 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.552 -4.608 12.892 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.617 -6.986 11.242 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.426 -6.941 12.984 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.686 -8.623 11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.021 -8.769 11.311 1.00 0.00 H new ATOM 1207 N VAL A 74 0.378 -4.820 11.352 1.00 0.00 N ATOM 1208 CA VAL A 74 1.792 -4.465 11.480 1.00 0.00 C ATOM 1209 C VAL A 74 2.007 -2.953 11.393 1.00 0.00 C ATOM 1210 O VAL A 74 2.874 -2.413 12.072 1.00 0.00 O ATOM 1211 CB VAL A 74 2.678 -5.170 10.424 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.917 -6.623 10.809 1.00 0.00 C ATOM 1213 CG2 VAL A 74 2.066 -5.079 9.036 1.00 0.00 C ATOM 0 H VAL A 74 0.122 -5.223 10.451 1.00 0.00 H new ATOM 0 HA VAL A 74 2.095 -4.812 12.468 1.00 0.00 H new ATOM 0 HB VAL A 74 3.638 -4.654 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.542 -7.101 10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.419 -6.665 11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.962 -7.144 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.713 -5.584 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.086 -5.556 9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.959 -4.032 8.753 1.00 0.00 H new ATOM 1223 N LEU A 75 1.212 -2.282 10.558 1.00 0.00 N ATOM 1224 CA LEU A 75 1.322 -0.833 10.368 1.00 0.00 C ATOM 1225 C LEU A 75 1.115 -0.065 11.671 1.00 0.00 C ATOM 1226 O LEU A 75 1.848 0.881 11.960 1.00 0.00 O ATOM 1227 CB LEU A 75 0.305 -0.364 9.323 1.00 0.00 C ATOM 1228 CG LEU A 75 0.797 0.734 8.380 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.882 0.202 7.462 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.356 1.298 7.566 1.00 0.00 C ATOM 0 H LEU A 75 0.481 -2.721 9.999 1.00 0.00 H new ATOM 0 HA LEU A 75 2.334 -0.625 10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.000 -1.223 8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.584 -0.004 9.841 1.00 0.00 H new ATOM 0 HG LEU A 75 1.218 1.538 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.220 0.998 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.722 -0.153 8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.485 -0.621 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.015 2.078 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.808 0.502 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.104 1.719 8.238 1.00 0.00 H new ATOM 1242 N ARG A 76 0.130 -0.485 12.460 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.179 0.176 13.726 1.00 0.00 C ATOM 1244 C ARG A 76 0.924 -0.032 14.769 1.00 0.00 C ATOM 1245 O ARG A 76 1.223 0.870 15.551 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.515 -0.338 14.275 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.721 0.084 13.447 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.313 1.397 13.938 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.504 1.777 13.178 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.203 2.889 13.403 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.832 3.727 14.361 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.275 3.164 12.669 1.00 0.00 N ATOM 0 H ARG A 76 -0.469 -1.282 12.245 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.248 1.245 13.526 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.483 -1.426 14.325 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.642 0.024 15.295 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.427 0.186 12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.481 -0.696 13.489 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.569 1.307 14.994 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.564 2.185 13.858 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.817 1.155 12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.010 3.521 14.928 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.369 4.577 14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.566 2.523 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.808 4.016 12.844 1.00 0.00 H new ATOM 1266 N ALA A 77 1.532 -1.214 14.771 1.00 0.00 N ATOM 1267 CA ALA A 77 2.576 -1.536 15.742 1.00 0.00 C ATOM 1268 C ALA A 77 3.976 -1.100 15.298 1.00 0.00 C ATOM 1269 O ALA A 77 4.893 -1.039 16.117 1.00 0.00 O ATOM 1270 CB ALA A 77 2.561 -3.027 16.041 1.00 0.00 C ATOM 0 H ALA A 77 1.321 -1.965 14.113 1.00 0.00 H new ATOM 0 HA ALA A 77 2.350 -0.969 16.645 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.341 -3.261 16.765 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.590 -3.306 16.451 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.741 -3.584 15.122 1.00 0.00 H new ATOM 1276 N HIS A 78 4.144 -0.791 14.012 1.00 0.00 N ATOM 1277 CA HIS A 78 5.453 -0.380 13.494 1.00 0.00 C ATOM 1278 C HIS A 78 5.644 1.137 13.532 1.00 0.00 C ATOM 1279 O HIS A 78 6.701 1.642 13.152 1.00 0.00 O ATOM 1280 CB HIS A 78 5.658 -0.905 12.069 1.00 0.00 C ATOM 1281 CG HIS A 78 6.246 -2.284 12.032 1.00 0.00 C ATOM 1282 ND1 HIS A 78 5.514 -3.423 12.297 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.512 -2.704 11.790 1.00 0.00 C ATOM 1284 CE1 HIS A 78 6.301 -4.480 12.220 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.516 -4.072 11.914 1.00 0.00 N ATOM 0 H HIS A 78 3.400 -0.816 13.315 1.00 0.00 H new ATOM 0 HA HIS A 78 6.206 -0.818 14.149 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.700 -0.910 11.548 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.312 -0.222 11.527 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.519 -3.445 12.518 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.359 -2.080 11.546 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.000 -5.505 12.380 1.00 0.00 H new ATOM 1294 N GLY A 79 4.625 1.858 13.991 1.00 0.00 N ATOM 1295 CA GLY A 79 4.725 3.307 14.083 1.00 0.00 C ATOM 1296 C GLY A 79 4.032 4.034 12.945 1.00 0.00 C ATOM 1297 O GLY A 79 3.990 5.264 12.929 1.00 0.00 O ATOM 0 H GLY A 79 3.735 1.468 14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.293 3.634 15.029 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.777 3.591 14.098 1.00 0.00 H new ATOM 1301 N TYR A 80 3.484 3.280 11.998 1.00 0.00 N ATOM 1302 CA TYR A 80 2.787 3.863 10.853 1.00 0.00 C ATOM 1303 C TYR A 80 1.276 3.870 11.105 1.00 0.00 C ATOM 1304 O TYR A 80 0.480 3.473 10.253 1.00 0.00 O ATOM 1305 CB TYR A 80 3.127 3.082 9.579 1.00 0.00 C ATOM 1306 CG TYR A 80 4.578 3.203 9.161 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.534 2.313 9.637 1.00 0.00 C ATOM 1308 CD2 TYR A 80 4.990 4.205 8.291 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.859 2.421 9.260 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.314 4.318 7.908 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.243 3.423 8.395 1.00 0.00 C ATOM 1312 OH TYR A 80 8.563 3.529 8.018 1.00 0.00 O ATOM 0 H TYR A 80 3.508 2.260 11.999 1.00 0.00 H new ATOM 0 HA TYR A 80 3.115 4.894 10.720 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.889 2.030 9.734 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.493 3.436 8.766 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.236 1.524 10.312 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.264 4.907 7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.590 1.724 9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.619 5.103 7.231 1.00 0.00 H new ATOM 0 HH TYR A 80 8.668 4.286 7.404 1.00 0.00 H new ATOM 1322 N GLN A 81 0.908 4.336 12.295 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.488 4.408 12.736 1.00 0.00 C ATOM 1324 C GLN A 81 -1.309 5.407 11.921 1.00 0.00 C ATOM 1325 O GLN A 81 -2.460 5.133 11.579 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.547 4.794 14.216 1.00 0.00 C ATOM 1327 CG GLN A 81 -0.098 3.689 15.156 1.00 0.00 C ATOM 1328 CD GLN A 81 -0.038 4.145 16.600 1.00 0.00 C ATOM 1329 OE1 GLN A 81 0.987 4.641 17.065 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -1.141 3.978 17.320 1.00 0.00 N ATOM 0 H GLN A 81 1.573 4.678 12.989 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.922 3.420 12.583 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.078 5.672 14.378 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.569 5.079 14.467 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.783 2.845 15.073 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.886 3.333 14.850 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.970 3.562 16.895 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.160 4.266 18.298 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.715 6.567 11.625 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.391 7.610 10.848 1.00 0.00 C ATOM 1341 C ALA A 82 -1.789 7.093 9.469 1.00 0.00 C ATOM 1342 O ALA A 82 -2.827 7.468 8.925 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.493 8.831 10.720 1.00 0.00 C ATOM 0 H ALA A 82 0.234 6.807 11.912 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.301 7.895 11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.005 9.600 10.141 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.261 9.218 11.712 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.431 8.551 10.215 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.944 6.227 8.923 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.173 5.623 7.619 1.00 0.00 C ATOM 1351 C LEU A 83 -2.273 4.567 7.694 1.00 0.00 C ATOM 1352 O LEU A 83 -3.081 4.431 6.775 1.00 0.00 O ATOM 1353 CB LEU A 83 0.123 4.980 7.122 1.00 0.00 C ATOM 1354 CG LEU A 83 1.122 5.937 6.466 1.00 0.00 C ATOM 1355 CD1 LEU A 83 1.926 6.687 7.518 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.051 5.171 5.542 1.00 0.00 C ATOM 0 H LEU A 83 -0.080 5.924 9.373 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.490 6.402 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.613 4.492 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.131 4.199 6.405 1.00 0.00 H new ATOM 0 HG LEU A 83 0.563 6.667 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.629 7.360 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.250 7.264 8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.476 5.974 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.757 5.862 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.598 4.422 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.466 4.678 4.765 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.298 3.836 8.810 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.272 2.766 9.025 1.00 0.00 C ATOM 1370 C ALA A 84 -4.687 3.301 9.240 1.00 0.00 C ATOM 1371 O ALA A 84 -5.658 2.564 9.089 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.845 1.905 10.207 1.00 0.00 C ATOM 0 H ALA A 84 -1.648 3.968 9.585 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.296 2.159 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.575 1.110 10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.868 1.466 10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.786 2.522 11.104 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.797 4.578 9.593 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.100 5.197 9.821 1.00 0.00 C ATOM 1380 C ASP A 85 -6.703 5.715 8.517 1.00 0.00 C ATOM 1381 O ASP A 85 -7.924 5.805 8.382 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.968 6.345 10.826 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.228 6.542 11.645 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.405 5.813 12.644 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -8.038 7.424 11.289 1.00 0.00 O ATOM 0 H ASP A 85 -4.003 5.204 9.727 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.768 4.436 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.131 6.145 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.737 7.267 10.292 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.841 6.043 7.558 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.285 6.566 6.269 1.00 0.00 C ATOM 1392 C LYS A 86 -6.812 5.462 5.351 1.00 0.00 C ATOM 1393 O LYS A 86 -7.873 5.611 4.747 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.143 7.319 5.583 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.864 8.685 6.193 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.745 9.410 5.460 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.458 10.769 6.080 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.368 11.491 5.362 1.00 0.00 N ATOM 0 H LYS A 86 -4.829 5.956 7.650 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.109 7.253 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.237 6.715 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.383 7.444 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.771 9.289 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.595 8.567 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.841 8.801 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.018 9.538 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.365 11.373 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.179 10.639 7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.204 12.412 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.495 10.927 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.644 11.638 4.370 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.072 4.356 5.245 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.479 3.249 4.379 1.00 0.00 C ATOM 1414 C LEU A 87 -7.651 2.456 4.963 1.00 0.00 C ATOM 1415 O LEU A 87 -8.486 1.952 4.217 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.298 2.310 4.086 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.438 1.913 5.292 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.902 0.587 5.873 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.974 1.826 4.890 1.00 0.00 C ATOM 0 H LEU A 87 -5.195 4.204 5.744 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.815 3.694 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.688 1.401 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.654 2.788 3.348 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.549 2.681 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.277 0.326 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.940 0.674 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.822 -0.191 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.375 1.543 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.856 1.077 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.640 2.795 4.519 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.709 2.346 6.291 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.781 1.604 6.956 1.00 0.00 C ATOM 1433 C ASN A 88 -10.122 2.323 6.836 1.00 0.00 C ATOM 1434 O ASN A 88 -11.157 1.693 6.611 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.445 1.387 8.432 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.130 0.163 9.008 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.459 -0.977 8.935 1.00 0.00 O flip ATOM 1438 ND2 ASN A 88 -10.248 0.242 9.516 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.027 2.761 6.926 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.866 0.639 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.366 1.282 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.741 2.268 9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.730 1.140 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.693 -0.591 9.902 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.094 3.646 6.979 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.307 4.450 6.898 1.00 0.00 C ATOM 1447 C LYS A 89 -11.794 4.569 5.460 1.00 0.00 C ATOM 1448 O LYS A 89 -12.998 4.576 5.204 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.061 5.837 7.487 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.276 6.426 8.179 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.967 7.780 8.793 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.195 8.381 9.452 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.908 9.711 10.054 1.00 0.00 N ATOM 0 H LYS A 89 -9.244 4.182 7.151 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.083 3.949 7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.239 5.779 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.745 6.510 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.090 6.528 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.620 5.743 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.171 7.674 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.598 8.456 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.991 8.481 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.560 7.704 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.772 10.087 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.167 9.612 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.584 10.365 9.313 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.851 4.669 4.524 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.179 4.773 3.107 1.00 0.00 C ATOM 1469 C TYR A 90 -11.731 3.445 2.595 1.00 0.00 C ATOM 1470 O TYR A 90 -12.516 3.402 1.649 1.00 0.00 O ATOM 1471 CB TYR A 90 -9.928 5.155 2.313 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.220 5.779 0.969 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.448 7.143 0.851 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.262 5.003 -0.182 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.711 7.717 -0.377 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -10.524 5.570 -1.412 1.00 0.00 C ATOM 1477 CZ TYR A 90 -10.749 6.925 -1.503 1.00 0.00 C ATOM 1478 OH TYR A 90 -11.007 7.493 -2.726 1.00 0.00 O ATOM 0 H TYR A 90 -9.851 4.680 4.725 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.938 5.544 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.334 5.852 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.319 4.264 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.419 7.765 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.087 3.940 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.886 8.780 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.552 4.954 -2.299 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.998 6.799 -3.418 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.315 2.371 3.250 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.734 1.023 2.897 1.00 0.00 C ATOM 1490 C LEU A 91 -13.191 0.772 3.286 1.00 0.00 C ATOM 1491 O LEU A 91 -13.935 0.122 2.552 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.816 0.023 3.597 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.235 -1.439 3.510 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.481 -2.139 2.390 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.985 -2.121 4.844 1.00 0.00 C ATOM 0 H LEU A 91 -10.675 2.410 4.044 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.662 0.901 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.816 0.120 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.746 0.299 4.649 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.300 -1.496 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.791 -3.183 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.701 -1.649 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.410 -2.087 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.285 -3.167 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.925 -2.062 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.565 -1.624 5.621 1.00 0.00 H new ATOM 1507 N THR A 92 -13.592 1.292 4.444 1.00 0.00 N ATOM 1508 CA THR A 92 -14.958 1.120 4.928 1.00 0.00 C ATOM 1509 C THR A 92 -15.799 2.370 4.677 1.00 0.00 C ATOM 1510 O THR A 92 -16.881 2.527 5.249 1.00 0.00 O ATOM 1511 CB THR A 92 -14.993 0.775 6.431 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.834 0.011 6.790 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.252 -0.015 6.766 1.00 0.00 C ATOM 0 H THR A 92 -12.991 1.835 5.063 1.00 0.00 H new ATOM 0 HA THR A 92 -15.382 0.286 4.368 1.00 0.00 H new ATOM 0 HB THR A 92 -14.998 1.706 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 92 -13.052 0.600 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.261 -0.251 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.131 0.580 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.265 -0.940 6.190 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.286 3.265 3.830 1.00 0.00 N ATOM 1522 CA LEU A 93 -15.984 4.505 3.492 1.00 0.00 C ATOM 1523 C LEU A 93 -17.414 4.224 3.043 1.00 0.00 C ATOM 1524 O LEU A 93 -18.349 4.908 3.458 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.236 5.254 2.388 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.478 6.764 2.355 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.570 7.470 3.348 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.263 7.307 0.952 1.00 0.00 C ATOM 0 H LEU A 93 -14.386 3.152 3.364 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.017 5.124 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.167 5.075 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.524 4.834 1.425 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.512 6.955 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.756 8.543 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.773 7.101 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.529 7.273 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.439 8.383 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.239 7.106 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.956 6.823 0.264 1.00 0.00 H new