USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 687 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 65 LYS NZ :NH3+ -178:sc= 0.927 (180deg=-0.315) USER MOD Set 1.2: A 68 SER OG : rot 62:sc= 0.578 USER MOD Set 2.1: A 62 TYR OH : rot 165:sc= -2.12! USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.706 K(o=-1.4,f=-5.1!) USER MOD Single : A 8 THR OG1 : rot -33:sc= -0.124 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.107 F(o=-1.3!,f=-0.11) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 32 SER OG : rot 26:sc= 0.126 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 65:sc= 0.938 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.782 F(o=-1.4,f=-0.78) USER MOD Single : A 44 THR OG1 : rot -106:sc= -0.828! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= 0.821 (180deg=-0.0338) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.12) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.146 F(o=-1.7!,f=-0.15) USER MOD Single : A 59 GLN : amide:sc= -0.645 K(o=-0.64,f=-1.9) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -93:sc= 0.0367 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.547 X(o=-0.55,f=-1) USER MOD Single : A 86 MET CE :methyl -145:sc= -2.61! (180deg=-4.78!) USER MOD Single : A 87 SER OG : rot -69:sc= 1.27 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0559 F(o=-1.7!,f=-0.056) USER MOD Single : A 92 SER OG : rot -30:sc= 0.243 USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.0579 K(o=0.058,f=-1.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 3.356 12.953 -2.935 1.00 0.00 N ATOM 121 CA THR A 8 3.505 11.511 -2.930 1.00 0.00 C ATOM 122 C THR A 8 2.495 10.851 -1.993 1.00 0.00 C ATOM 123 O THR A 8 1.714 11.534 -1.322 1.00 0.00 O ATOM 124 CB THR A 8 4.937 11.129 -2.518 1.00 0.00 C ATOM 125 OG1 THR A 8 5.335 11.899 -1.376 1.00 0.00 O ATOM 126 CG2 THR A 8 5.910 11.371 -3.662 1.00 0.00 C ATOM 0 HA THR A 8 3.313 11.149 -3.940 1.00 0.00 H new ATOM 0 HB THR A 8 4.952 10.068 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.926 12.788 -1.422 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.916 11.094 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.619 10.767 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.893 12.426 -3.937 1.00 0.00 H new ATOM 134 N VAL A 9 2.522 9.523 -1.945 1.00 0.00 N ATOM 135 CA VAL A 9 1.582 8.755 -1.134 1.00 0.00 C ATOM 136 C VAL A 9 1.748 9.067 0.355 1.00 0.00 C ATOM 137 O VAL A 9 0.768 9.152 1.098 1.00 0.00 O ATOM 138 CB VAL A 9 1.761 7.237 -1.369 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.769 6.429 -0.547 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.623 6.904 -2.849 1.00 0.00 C ATOM 0 H VAL A 9 3.190 8.952 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 9 0.578 9.046 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 9 2.765 6.966 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.921 5.366 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.921 6.636 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.247 6.705 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.752 5.831 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.634 7.201 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.384 7.441 -3.415 1.00 0.00 H new ATOM 150 N GLU A 10 2.991 9.268 0.771 1.00 0.00 N ATOM 151 CA GLU A 10 3.300 9.542 2.171 1.00 0.00 C ATOM 152 C GLU A 10 2.673 10.860 2.632 1.00 0.00 C ATOM 153 O GLU A 10 2.421 11.053 3.821 1.00 0.00 O ATOM 154 CB GLU A 10 4.819 9.576 2.376 1.00 0.00 C ATOM 155 CG GLU A 10 5.529 10.583 1.484 1.00 0.00 C ATOM 156 CD GLU A 10 7.038 10.515 1.596 1.00 0.00 C ATOM 157 OE1 GLU A 10 7.660 9.734 0.845 1.00 0.00 O ATOM 158 OE2 GLU A 10 7.615 11.260 2.419 1.00 0.00 O ATOM 0 H GLU A 10 3.806 9.247 0.158 1.00 0.00 H new ATOM 0 HA GLU A 10 2.874 8.741 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.032 9.813 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.226 8.583 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.239 10.409 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.196 11.588 1.744 1.00 0.00 H new ATOM 165 N GLN A 11 2.396 11.747 1.685 1.00 0.00 N ATOM 166 CA GLN A 11 1.845 13.057 2.004 1.00 0.00 C ATOM 167 C GLN A 11 0.395 12.960 2.471 1.00 0.00 C ATOM 168 O GLN A 11 0.046 13.475 3.535 1.00 0.00 O ATOM 169 CB GLN A 11 1.946 13.988 0.794 1.00 0.00 C ATOM 170 CG GLN A 11 3.372 14.413 0.470 1.00 0.00 C ATOM 171 CD GLN A 11 3.973 15.306 1.541 1.00 0.00 C ATOM 172 OE1 GLN A 11 3.137 16.113 2.177 1.00 0.00 O flip ATOM 173 NE2 GLN A 11 5.182 15.279 1.786 1.00 0.00 N flip ATOM 0 H GLN A 11 2.544 11.583 0.689 1.00 0.00 H new ATOM 0 HA GLN A 11 2.434 13.470 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.518 13.488 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.344 14.877 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.994 13.525 0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.382 14.939 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.792 14.642 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.571 15.893 2.501 1.00 0.00 H new ATOM 182 N TRP A 12 -0.449 12.294 1.692 1.00 0.00 N ATOM 183 CA TRP A 12 -1.864 12.224 2.032 1.00 0.00 C ATOM 184 C TRP A 12 -2.116 11.178 3.118 1.00 0.00 C ATOM 185 O TRP A 12 -3.090 11.277 3.865 1.00 0.00 O ATOM 186 CB TRP A 12 -2.735 11.972 0.788 1.00 0.00 C ATOM 187 CG TRP A 12 -2.449 10.696 0.054 1.00 0.00 C ATOM 188 CD1 TRP A 12 -1.496 10.496 -0.902 1.00 0.00 C ATOM 189 CD2 TRP A 12 -3.148 9.452 0.193 1.00 0.00 C ATOM 190 NE1 TRP A 12 -1.548 9.200 -1.352 1.00 0.00 N ATOM 191 CE2 TRP A 12 -2.553 8.539 -0.696 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.215 9.019 0.991 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -2.989 7.221 -0.812 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -4.647 7.712 0.873 1.00 0.00 C ATOM 195 CH2 TRP A 12 -4.033 6.825 -0.022 1.00 0.00 C ATOM 0 H TRP A 12 -0.185 11.804 0.837 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.156 13.194 2.434 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.782 11.970 1.092 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.605 12.806 0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.803 11.246 -1.253 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.937 8.794 -2.061 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.691 9.695 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.519 6.536 -1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.471 7.368 1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.391 5.808 -0.089 1.00 0.00 H new ATOM 206 N LEU A 13 -1.227 10.198 3.228 1.00 0.00 N ATOM 207 CA LEU A 13 -1.326 9.219 4.302 1.00 0.00 C ATOM 208 C LEU A 13 -0.956 9.847 5.637 1.00 0.00 C ATOM 209 O LEU A 13 -1.529 9.502 6.667 1.00 0.00 O ATOM 210 CB LEU A 13 -0.451 7.995 4.027 1.00 0.00 C ATOM 211 CG LEU A 13 -1.030 6.999 3.020 1.00 0.00 C ATOM 212 CD1 LEU A 13 -0.105 5.805 2.863 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.414 6.540 3.459 1.00 0.00 C ATOM 0 H LEU A 13 -0.439 10.061 2.595 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.362 8.885 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.519 8.335 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.274 7.475 4.968 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.120 7.499 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.532 5.106 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.868 6.143 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.013 5.307 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.810 5.832 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.345 6.058 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.079 7.401 3.527 1.00 0.00 H new ATOM 225 N ASN A 14 -0.007 10.777 5.616 1.00 0.00 N ATOM 226 CA ASN A 14 0.349 11.530 6.815 1.00 0.00 C ATOM 227 C ASN A 14 -0.879 12.253 7.358 1.00 0.00 C ATOM 228 O ASN A 14 -1.129 12.273 8.567 1.00 0.00 O ATOM 229 CB ASN A 14 1.462 12.534 6.496 1.00 0.00 C ATOM 230 CG ASN A 14 1.813 13.429 7.672 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.706 13.034 8.834 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.241 14.645 7.374 1.00 0.00 N ATOM 0 H ASN A 14 0.529 11.027 4.785 1.00 0.00 H new ATOM 0 HA ASN A 14 0.713 10.838 7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.353 11.991 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.153 13.154 5.655 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.496 15.293 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.316 14.935 6.399 1.00 0.00 H new ATOM 239 N ARG A 15 -1.657 12.825 6.449 1.00 0.00 N ATOM 240 CA ARG A 15 -2.903 13.487 6.812 1.00 0.00 C ATOM 241 C ARG A 15 -3.917 12.467 7.314 1.00 0.00 C ATOM 242 O ARG A 15 -4.566 12.679 8.337 1.00 0.00 O ATOM 243 CB ARG A 15 -3.472 14.250 5.613 1.00 0.00 C ATOM 244 CG ARG A 15 -2.585 15.390 5.126 1.00 0.00 C ATOM 245 CD ARG A 15 -2.730 16.646 5.981 1.00 0.00 C ATOM 246 NE ARG A 15 -2.453 16.403 7.396 1.00 0.00 N ATOM 247 CZ ARG A 15 -1.392 16.874 8.045 1.00 0.00 C ATOM 248 NH1 ARG A 15 -0.474 17.592 7.406 1.00 0.00 N ATOM 249 NH2 ARG A 15 -1.257 16.628 9.340 1.00 0.00 N ATOM 0 H ARG A 15 -1.446 12.844 5.451 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.696 14.198 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.630 13.550 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.449 14.653 5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.544 15.066 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.837 15.626 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.051 17.414 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.742 17.037 5.875 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.118 15.834 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.580 17.786 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.337 17.949 7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.964 16.081 9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.446 16.986 9.845 1.00 0.00 H new ATOM 263 N TRP A 16 -4.028 11.354 6.592 1.00 0.00 N ATOM 264 CA TRP A 16 -4.953 10.276 6.938 1.00 0.00 C ATOM 265 C TRP A 16 -4.703 9.779 8.361 1.00 0.00 C ATOM 266 O TRP A 16 -5.601 9.805 9.202 1.00 0.00 O ATOM 267 CB TRP A 16 -4.793 9.120 5.944 1.00 0.00 C ATOM 268 CG TRP A 16 -5.974 8.196 5.882 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.348 7.270 6.813 1.00 0.00 C ATOM 270 CD2 TRP A 16 -6.921 8.097 4.813 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.477 6.607 6.391 1.00 0.00 N ATOM 272 CE2 TRP A 16 -7.850 7.100 5.168 1.00 0.00 C ATOM 273 CE3 TRP A 16 -7.079 8.762 3.594 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -8.918 6.751 4.345 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -8.139 8.415 2.777 1.00 0.00 C ATOM 276 CH2 TRP A 16 -9.048 7.420 3.156 1.00 0.00 C ATOM 0 H TRP A 16 -3.480 11.174 5.751 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.971 10.663 6.886 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.615 9.532 4.951 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.908 8.543 6.213 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -5.833 7.085 7.744 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.958 5.869 6.905 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.385 9.534 3.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.618 5.981 4.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.268 8.920 1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.868 7.175 2.498 1.00 0.00 H new ATOM 541 N SER A 32 -1.642 -2.539 13.913 1.00 0.00 N ATOM 542 CA SER A 32 -0.526 -2.708 12.997 1.00 0.00 C ATOM 543 C SER A 32 -0.816 -2.068 11.641 1.00 0.00 C ATOM 544 O SER A 32 0.071 -1.966 10.793 1.00 0.00 O ATOM 545 CB SER A 32 -0.229 -4.192 12.815 1.00 0.00 C ATOM 546 OG SER A 32 0.024 -4.813 14.063 1.00 0.00 O ATOM 0 HA SER A 32 0.343 -2.209 13.426 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.073 -4.679 12.326 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.634 -4.317 12.160 1.00 0.00 H new ATOM 0 HG SER A 32 -0.425 -4.312 14.775 1.00 0.00 H new ATOM 552 N TYR A 33 -2.058 -1.627 11.451 1.00 0.00 N ATOM 553 CA TYR A 33 -2.539 -1.187 10.140 1.00 0.00 C ATOM 554 C TYR A 33 -1.742 -0.016 9.577 1.00 0.00 C ATOM 555 O TYR A 33 -1.402 -0.009 8.395 1.00 0.00 O ATOM 556 CB TYR A 33 -4.028 -0.830 10.205 1.00 0.00 C ATOM 557 CG TYR A 33 -4.931 -2.041 10.255 1.00 0.00 C ATOM 558 CD1 TYR A 33 -5.396 -2.617 9.083 1.00 0.00 C ATOM 559 CD2 TYR A 33 -5.303 -2.617 11.464 1.00 0.00 C ATOM 560 CE1 TYR A 33 -6.208 -3.728 9.106 1.00 0.00 C ATOM 561 CE2 TYR A 33 -6.120 -3.732 11.497 1.00 0.00 C ATOM 562 CZ TYR A 33 -6.565 -4.286 10.316 1.00 0.00 C ATOM 563 OH TYR A 33 -7.371 -5.397 10.344 1.00 0.00 O ATOM 0 H TYR A 33 -2.755 -1.564 12.193 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.395 -2.026 9.459 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.209 -0.214 11.086 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.288 -0.227 9.335 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.116 -2.186 8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.949 -2.188 12.390 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.564 -4.160 8.182 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.408 -4.166 12.443 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.527 -5.665 11.274 1.00 0.00 H new ATOM 573 N GLU A 34 -1.428 0.962 10.411 1.00 0.00 N ATOM 574 CA GLU A 34 -0.707 2.134 9.935 1.00 0.00 C ATOM 575 C GLU A 34 0.784 1.827 9.876 1.00 0.00 C ATOM 576 O GLU A 34 1.506 2.314 9.003 1.00 0.00 O ATOM 577 CB GLU A 34 -0.970 3.363 10.827 1.00 0.00 C ATOM 578 CG GLU A 34 -0.218 3.372 12.155 1.00 0.00 C ATOM 579 CD GLU A 34 -0.697 2.320 13.134 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.361 1.131 12.945 1.00 0.00 O ATOM 581 OE2 GLU A 34 -1.403 2.684 14.100 1.00 0.00 O ATOM 0 H GLU A 34 -1.656 0.971 11.405 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.068 2.375 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.703 4.261 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.039 3.422 11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.844 3.219 11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.320 4.356 12.614 1.00 0.00 H new ATOM 588 N THR A 35 1.221 0.993 10.809 1.00 0.00 N ATOM 589 CA THR A 35 2.614 0.614 10.928 1.00 0.00 C ATOM 590 C THR A 35 3.086 -0.155 9.695 1.00 0.00 C ATOM 591 O THR A 35 4.060 0.235 9.054 1.00 0.00 O ATOM 592 CB THR A 35 2.834 -0.230 12.201 1.00 0.00 C ATOM 593 OG1 THR A 35 2.357 0.490 13.348 1.00 0.00 O ATOM 594 CG2 THR A 35 4.306 -0.566 12.388 1.00 0.00 C ATOM 0 H THR A 35 0.614 0.561 11.505 1.00 0.00 H new ATOM 0 HA THR A 35 3.205 1.527 11.002 1.00 0.00 H new ATOM 0 HB THR A 35 2.279 -1.162 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.387 0.609 13.279 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.431 -1.161 13.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.662 -1.134 11.528 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.881 0.356 12.478 1.00 0.00 H new ATOM 602 N VAL A 36 2.377 -1.226 9.344 1.00 0.00 N ATOM 603 CA VAL A 36 2.763 -2.038 8.196 1.00 0.00 C ATOM 604 C VAL A 36 2.614 -1.247 6.902 1.00 0.00 C ATOM 605 O VAL A 36 3.366 -1.448 5.951 1.00 0.00 O ATOM 606 CB VAL A 36 1.949 -3.354 8.096 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.187 -4.229 9.318 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.462 -3.077 7.914 1.00 0.00 C ATOM 0 H VAL A 36 1.542 -1.548 9.833 1.00 0.00 H new ATOM 0 HA VAL A 36 3.809 -2.306 8.345 1.00 0.00 H new ATOM 0 HB VAL A 36 2.297 -3.891 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.606 -5.147 9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.246 -4.475 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.879 -3.692 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.079 -4.021 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.091 -2.506 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.308 -2.505 6.999 1.00 0.00 H new ATOM 618 N LEU A 37 1.659 -0.327 6.887 1.00 0.00 N ATOM 619 CA LEU A 37 1.379 0.454 5.698 1.00 0.00 C ATOM 620 C LEU A 37 2.561 1.356 5.354 1.00 0.00 C ATOM 621 O LEU A 37 3.227 1.162 4.334 1.00 0.00 O ATOM 622 CB LEU A 37 0.112 1.289 5.898 1.00 0.00 C ATOM 623 CG LEU A 37 -0.442 1.945 4.633 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.883 0.883 3.636 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.601 2.870 4.976 1.00 0.00 C ATOM 0 H LEU A 37 1.067 -0.106 7.687 1.00 0.00 H new ATOM 0 HA LEU A 37 1.219 -0.232 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.661 0.650 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.322 2.069 6.630 1.00 0.00 H new ATOM 0 HG LEU A 37 0.349 2.541 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.275 1.365 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.030 0.259 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.660 0.263 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.983 3.328 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.395 2.296 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.256 3.649 5.656 1.00 0.00 H new ATOM 637 N ARG A 38 2.852 2.315 6.225 1.00 0.00 N ATOM 638 CA ARG A 38 3.880 3.307 5.934 1.00 0.00 C ATOM 639 C ARG A 38 5.274 2.689 5.909 1.00 0.00 C ATOM 640 O ARG A 38 6.098 3.051 5.073 1.00 0.00 O ATOM 641 CB ARG A 38 3.821 4.486 6.914 1.00 0.00 C ATOM 642 CG ARG A 38 3.971 4.114 8.380 1.00 0.00 C ATOM 643 CD ARG A 38 3.927 5.357 9.252 1.00 0.00 C ATOM 644 NE ARG A 38 3.938 5.050 10.680 1.00 0.00 N ATOM 645 CZ ARG A 38 4.023 5.977 11.634 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.167 7.257 11.312 1.00 0.00 N ATOM 647 NH2 ARG A 38 3.976 5.622 12.914 1.00 0.00 N ATOM 0 H ARG A 38 2.396 2.427 7.130 1.00 0.00 H new ATOM 0 HA ARG A 38 3.673 3.692 4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.607 5.195 6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.870 5.001 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.174 3.430 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.914 3.588 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.781 5.991 9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.030 5.929 9.015 1.00 0.00 H new ATOM 0 HE ARG A 38 3.877 4.072 10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.213 7.534 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.232 7.963 12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.875 4.639 13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.041 6.332 13.643 1.00 0.00 H new ATOM 661 N LEU A 39 5.523 1.735 6.793 1.00 0.00 N ATOM 662 CA LEU A 39 6.840 1.122 6.896 1.00 0.00 C ATOM 663 C LEU A 39 7.168 0.280 5.663 1.00 0.00 C ATOM 664 O LEU A 39 8.320 0.204 5.243 1.00 0.00 O ATOM 665 CB LEU A 39 6.926 0.271 8.174 1.00 0.00 C ATOM 666 CG LEU A 39 8.255 -0.447 8.422 1.00 0.00 C ATOM 667 CD1 LEU A 39 8.551 -0.503 9.912 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.223 -1.861 7.853 1.00 0.00 C ATOM 0 H LEU A 39 4.833 1.369 7.448 1.00 0.00 H new ATOM 0 HA LEU A 39 7.580 1.920 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.721 0.915 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.134 -0.477 8.141 1.00 0.00 H new ATOM 0 HG LEU A 39 9.042 0.114 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.499 -1.016 10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.614 0.510 10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.753 -1.044 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.178 -2.351 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.424 -2.428 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.044 -1.817 6.779 1.00 0.00 H new ATOM 680 N HIS A 40 6.155 -0.341 5.073 1.00 0.00 N ATOM 681 CA HIS A 40 6.391 -1.287 3.990 1.00 0.00 C ATOM 682 C HIS A 40 6.264 -0.645 2.603 1.00 0.00 C ATOM 683 O HIS A 40 7.132 -0.839 1.751 1.00 0.00 O ATOM 684 CB HIS A 40 5.427 -2.470 4.115 1.00 0.00 C ATOM 685 CG HIS A 40 5.745 -3.625 3.218 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.400 -3.872 1.934 1.00 0.00 N flip ATOM 687 CD2 HIS A 40 6.483 -4.715 3.629 1.00 0.00 C flip ATOM 688 CE1 HIS A 40 5.928 -5.094 1.597 1.00 0.00 C flip ATOM 689 NE2 HIS A 40 6.577 -5.580 2.640 1.00 0.00 N flip ATOM 0 H HIS A 40 5.174 -0.210 5.321 1.00 0.00 H new ATOM 0 HA HIS A 40 7.420 -1.634 4.084 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.429 -2.817 5.148 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.417 -2.124 3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.917 -4.840 4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.829 -5.578 0.637 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.068 -6.474 2.674 1.00 0.00 H new ATOM 698 N VAL A 41 5.194 0.102 2.366 1.00 0.00 N ATOM 699 CA VAL A 41 4.896 0.553 1.006 1.00 0.00 C ATOM 700 C VAL A 41 5.314 2.009 0.748 1.00 0.00 C ATOM 701 O VAL A 41 5.479 2.411 -0.402 1.00 0.00 O ATOM 702 CB VAL A 41 3.401 0.350 0.654 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.509 1.328 1.399 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.175 0.447 -0.848 1.00 0.00 C ATOM 0 H VAL A 41 4.529 0.405 3.077 1.00 0.00 H new ATOM 0 HA VAL A 41 5.499 -0.073 0.348 1.00 0.00 H new ATOM 0 HB VAL A 41 3.126 -0.654 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.469 1.153 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.630 1.186 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.787 2.348 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.117 0.301 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.486 1.431 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.760 -0.321 -1.354 1.00 0.00 H new ATOM 714 N ILE A 42 5.516 2.797 1.798 1.00 0.00 N ATOM 715 CA ILE A 42 5.904 4.200 1.616 1.00 0.00 C ATOM 716 C ILE A 42 7.338 4.342 1.065 1.00 0.00 C ATOM 717 O ILE A 42 7.552 5.094 0.111 1.00 0.00 O ATOM 718 CB ILE A 42 5.718 5.029 2.918 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.317 5.653 2.961 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.775 6.121 3.050 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.192 4.692 2.643 1.00 0.00 C ATOM 0 H ILE A 42 5.421 2.500 2.769 1.00 0.00 H new ATOM 0 HA ILE A 42 5.228 4.611 0.866 1.00 0.00 H new ATOM 0 HB ILE A 42 5.835 4.344 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.150 6.072 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.280 6.482 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.610 6.677 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.766 5.667 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.705 6.799 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.239 5.217 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.329 4.291 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.197 3.875 3.364 1.00 0.00 H new ATOM 733 N PRO A 43 8.341 3.631 1.626 1.00 0.00 N ATOM 734 CA PRO A 43 9.716 3.709 1.116 1.00 0.00 C ATOM 735 C PRO A 43 9.895 2.987 -0.220 1.00 0.00 C ATOM 736 O PRO A 43 10.973 3.029 -0.820 1.00 0.00 O ATOM 737 CB PRO A 43 10.539 3.023 2.207 1.00 0.00 C ATOM 738 CG PRO A 43 9.594 2.074 2.854 1.00 0.00 C ATOM 739 CD PRO A 43 8.245 2.733 2.800 1.00 0.00 C ATOM 0 HA PRO A 43 10.013 4.739 0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.398 2.501 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.927 3.746 2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.582 1.118 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.888 1.871 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.446 2.001 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.034 3.289 3.713 1.00 0.00 H new ATOM 747 N THR A 44 8.845 2.313 -0.677 1.00 0.00 N ATOM 748 CA THR A 44 8.896 1.576 -1.929 1.00 0.00 C ATOM 749 C THR A 44 8.078 2.259 -3.027 1.00 0.00 C ATOM 750 O THR A 44 8.630 2.757 -4.010 1.00 0.00 O ATOM 751 CB THR A 44 8.393 0.132 -1.735 1.00 0.00 C ATOM 752 OG1 THR A 44 7.207 0.129 -0.935 1.00 0.00 O ATOM 753 CG2 THR A 44 9.450 -0.727 -1.067 1.00 0.00 C ATOM 0 H THR A 44 7.947 2.264 -0.196 1.00 0.00 H new ATOM 0 HA THR A 44 9.940 1.557 -2.243 1.00 0.00 H new ATOM 0 HB THR A 44 8.174 -0.283 -2.719 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.419 -0.201 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.069 -1.741 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.346 -0.750 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.695 -0.309 -0.091 1.00 0.00 H new ATOM 761 N LEU A 45 6.763 2.284 -2.845 1.00 0.00 N ATOM 762 CA LEU A 45 5.853 2.811 -3.857 1.00 0.00 C ATOM 763 C LEU A 45 5.273 4.153 -3.431 1.00 0.00 C ATOM 764 O LEU A 45 4.369 4.679 -4.078 1.00 0.00 O ATOM 765 CB LEU A 45 4.713 1.821 -4.125 1.00 0.00 C ATOM 766 CG LEU A 45 5.021 0.686 -5.112 1.00 0.00 C ATOM 767 CD1 LEU A 45 6.124 -0.220 -4.593 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.765 -0.123 -5.390 1.00 0.00 C ATOM 0 H LEU A 45 6.301 1.944 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 45 6.427 2.955 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.413 1.378 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.855 2.379 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 45 5.370 1.137 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.315 -1.012 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.033 0.362 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.816 -0.662 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.996 -0.925 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.394 -0.551 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.002 0.526 -5.820 1.00 0.00 H new ATOM 780 N GLY A 46 5.804 4.712 -2.351 1.00 0.00 N ATOM 781 CA GLY A 46 5.301 5.976 -1.837 1.00 0.00 C ATOM 782 C GLY A 46 5.501 7.127 -2.804 1.00 0.00 C ATOM 783 O GLY A 46 4.772 8.114 -2.760 1.00 0.00 O ATOM 0 H GLY A 46 6.577 4.313 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.239 5.875 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.803 6.206 -0.897 1.00 0.00 H new ATOM 787 N SER A 47 6.479 6.990 -3.691 1.00 0.00 N ATOM 788 CA SER A 47 6.780 8.025 -4.671 1.00 0.00 C ATOM 789 C SER A 47 6.087 7.741 -6.006 1.00 0.00 C ATOM 790 O SER A 47 6.469 8.281 -7.045 1.00 0.00 O ATOM 791 CB SER A 47 8.293 8.118 -4.870 1.00 0.00 C ATOM 792 OG SER A 47 8.956 8.426 -3.650 1.00 0.00 O ATOM 0 H SER A 47 7.080 6.168 -3.751 1.00 0.00 H new ATOM 0 HA SER A 47 6.404 8.977 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.669 7.173 -5.263 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.518 8.884 -5.612 1.00 0.00 H new ATOM 0 HG SER A 47 9.922 8.478 -3.807 1.00 0.00 H new ATOM 798 N ILE A 48 5.065 6.896 -5.972 1.00 0.00 N ATOM 799 CA ILE A 48 4.321 6.548 -7.171 1.00 0.00 C ATOM 800 C ILE A 48 2.945 7.213 -7.175 1.00 0.00 C ATOM 801 O ILE A 48 2.179 7.082 -6.219 1.00 0.00 O ATOM 802 CB ILE A 48 4.170 5.014 -7.312 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.528 4.383 -7.636 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.148 4.656 -8.381 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.480 2.882 -7.848 1.00 0.00 C ATOM 0 H ILE A 48 4.733 6.439 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 48 4.889 6.918 -8.025 1.00 0.00 H new ATOM 0 HB ILE A 48 3.810 4.617 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.930 4.853 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.221 4.602 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.065 3.572 -8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.179 5.077 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.467 5.063 -9.341 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.481 2.514 -8.073 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.110 2.398 -6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.814 2.653 -8.680 1.00 0.00 H new ATOM 817 N PRO A 49 2.632 7.962 -8.248 1.00 0.00 N ATOM 818 CA PRO A 49 1.323 8.603 -8.415 1.00 0.00 C ATOM 819 C PRO A 49 0.185 7.580 -8.475 1.00 0.00 C ATOM 820 O PRO A 49 0.339 6.495 -9.042 1.00 0.00 O ATOM 821 CB PRO A 49 1.455 9.360 -9.742 1.00 0.00 C ATOM 822 CG PRO A 49 2.601 8.723 -10.449 1.00 0.00 C ATOM 823 CD PRO A 49 3.536 8.253 -9.375 1.00 0.00 C ATOM 0 HA PRO A 49 1.073 9.252 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.540 9.285 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.639 10.421 -9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.265 7.890 -11.066 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.094 9.433 -11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.093 7.368 -9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.269 9.017 -9.117 1.00 0.00 H new ATOM 831 N LEU A 50 -0.964 7.947 -7.916 1.00 0.00 N ATOM 832 CA LEU A 50 -2.053 6.997 -7.686 1.00 0.00 C ATOM 833 C LEU A 50 -2.718 6.528 -8.979 1.00 0.00 C ATOM 834 O LEU A 50 -3.282 5.437 -9.025 1.00 0.00 O ATOM 835 CB LEU A 50 -3.092 7.607 -6.740 1.00 0.00 C ATOM 836 CG LEU A 50 -2.595 7.852 -5.313 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.654 8.560 -4.491 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.198 6.536 -4.655 1.00 0.00 C ATOM 0 H LEU A 50 -1.168 8.899 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.612 6.113 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.432 8.554 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.958 6.947 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.715 8.494 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.280 8.724 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.890 9.519 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.554 7.946 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.847 6.728 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.061 5.871 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.401 6.066 -5.232 1.00 0.00 H new ATOM 850 N LYS A 51 -2.657 7.333 -10.029 1.00 0.00 N ATOM 851 CA LYS A 51 -3.236 6.930 -11.307 1.00 0.00 C ATOM 852 C LYS A 51 -2.262 6.060 -12.091 1.00 0.00 C ATOM 853 O LYS A 51 -2.671 5.233 -12.908 1.00 0.00 O ATOM 854 CB LYS A 51 -3.661 8.142 -12.145 1.00 0.00 C ATOM 855 CG LYS A 51 -5.025 8.709 -11.772 1.00 0.00 C ATOM 856 CD LYS A 51 -5.020 9.386 -10.413 1.00 0.00 C ATOM 857 CE LYS A 51 -6.409 9.876 -10.040 1.00 0.00 C ATOM 858 NZ LYS A 51 -6.394 10.707 -8.810 1.00 0.00 N ATOM 0 H LYS A 51 -2.221 8.255 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.130 6.346 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.912 8.926 -12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.673 7.856 -13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.337 9.427 -12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.761 7.905 -11.772 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.662 8.687 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.326 10.226 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.822 10.457 -10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.068 9.020 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.939 10.231 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.413 10.839 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.820 11.634 -9.012 1.00 0.00 H new ATOM 872 N LYS A 52 -0.972 6.241 -11.837 1.00 0.00 N ATOM 873 CA LYS A 52 0.049 5.421 -12.477 1.00 0.00 C ATOM 874 C LYS A 52 0.135 4.069 -11.780 1.00 0.00 C ATOM 875 O LYS A 52 0.594 3.085 -12.363 1.00 0.00 O ATOM 876 CB LYS A 52 1.410 6.144 -12.463 1.00 0.00 C ATOM 877 CG LYS A 52 2.582 5.304 -12.968 1.00 0.00 C ATOM 878 CD LYS A 52 3.267 4.550 -11.835 1.00 0.00 C ATOM 879 CE LYS A 52 4.282 3.536 -12.344 1.00 0.00 C ATOM 880 NZ LYS A 52 3.637 2.383 -13.032 1.00 0.00 N ATOM 0 H LYS A 52 -0.609 6.945 -11.195 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.226 5.255 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.335 7.044 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.624 6.467 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.225 4.594 -13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.306 5.951 -13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.767 5.262 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.514 4.037 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.969 4.028 -13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.877 3.170 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.365 1.696 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.963 1.926 -12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.132 2.721 -13.876 1.00 0.00 H new ATOM 894 N LEU A 53 -0.322 4.037 -10.535 1.00 0.00 N ATOM 895 CA LEU A 53 -0.308 2.827 -9.731 1.00 0.00 C ATOM 896 C LEU A 53 -1.079 1.710 -10.435 1.00 0.00 C ATOM 897 O LEU A 53 -2.309 1.740 -10.526 1.00 0.00 O ATOM 898 CB LEU A 53 -0.900 3.125 -8.343 1.00 0.00 C ATOM 899 CG LEU A 53 -0.665 2.069 -7.248 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.581 0.866 -7.421 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.794 1.628 -7.233 1.00 0.00 C ATOM 0 H LEU A 53 -0.712 4.849 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 53 0.720 2.488 -9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.490 4.073 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.975 3.265 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.903 2.532 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.385 0.143 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.621 1.190 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.394 0.403 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.940 0.881 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.054 1.198 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.432 2.489 -7.036 1.00 0.00 H new ATOM 913 N GLN A 54 -0.337 0.753 -10.970 1.00 0.00 N ATOM 914 CA GLN A 54 -0.919 -0.415 -11.608 1.00 0.00 C ATOM 915 C GLN A 54 -1.026 -1.552 -10.601 1.00 0.00 C ATOM 916 O GLN A 54 -0.302 -1.574 -9.603 1.00 0.00 O ATOM 917 CB GLN A 54 -0.035 -0.880 -12.770 1.00 0.00 C ATOM 918 CG GLN A 54 0.129 0.130 -13.898 1.00 0.00 C ATOM 919 CD GLN A 54 1.274 -0.232 -14.823 1.00 0.00 C ATOM 920 OE1 GLN A 54 2.343 -0.772 -14.254 1.00 0.00 O flip ATOM 921 NE2 GLN A 54 1.215 0.003 -16.031 1.00 0.00 N flip ATOM 0 H GLN A 54 0.683 0.765 -10.974 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.908 -0.147 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.952 -1.129 -12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.455 -1.797 -13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.796 0.186 -14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.303 1.120 -13.476 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.373 0.419 -16.429 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.008 -0.219 -16.633 1.00 0.00 H new ATOM 930 N PRO A 55 -1.916 -2.522 -10.846 1.00 0.00 N ATOM 931 CA PRO A 55 -1.931 -3.768 -10.080 1.00 0.00 C ATOM 932 C PRO A 55 -0.598 -4.505 -10.226 1.00 0.00 C ATOM 933 O PRO A 55 -0.182 -5.257 -9.346 1.00 0.00 O ATOM 934 CB PRO A 55 -3.074 -4.577 -10.703 1.00 0.00 C ATOM 935 CG PRO A 55 -3.365 -3.919 -12.012 1.00 0.00 C ATOM 936 CD PRO A 55 -2.990 -2.474 -11.853 1.00 0.00 C ATOM 0 HA PRO A 55 -2.072 -3.604 -9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.786 -5.619 -10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.953 -4.574 -10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.793 -4.383 -12.815 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.419 -4.020 -12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.645 -2.041 -12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.834 -1.872 -11.515 1.00 0.00 H new ATOM 944 N ALA A 56 0.071 -4.246 -11.347 1.00 0.00 N ATOM 945 CA ALA A 56 1.393 -4.793 -11.614 1.00 0.00 C ATOM 946 C ALA A 56 2.438 -4.159 -10.704 1.00 0.00 C ATOM 947 O ALA A 56 3.423 -4.798 -10.335 1.00 0.00 O ATOM 948 CB ALA A 56 1.768 -4.574 -13.072 1.00 0.00 C ATOM 0 H ALA A 56 -0.290 -3.652 -12.093 1.00 0.00 H new ATOM 0 HA ALA A 56 1.366 -5.864 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.759 -4.988 -13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.040 -5.071 -13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.774 -3.506 -13.290 1.00 0.00 H new ATOM 954 N ASP A 57 2.218 -2.898 -10.340 1.00 0.00 N ATOM 955 CA ASP A 57 3.127 -2.196 -9.439 1.00 0.00 C ATOM 956 C ASP A 57 2.988 -2.755 -8.030 1.00 0.00 C ATOM 957 O ASP A 57 3.969 -2.878 -7.298 1.00 0.00 O ATOM 958 CB ASP A 57 2.856 -0.685 -9.434 1.00 0.00 C ATOM 959 CG ASP A 57 3.284 0.003 -10.720 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.497 0.043 -11.008 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.406 0.517 -11.445 1.00 0.00 O ATOM 0 H ASP A 57 1.421 -2.344 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 57 4.145 -2.352 -9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.791 -0.514 -9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.381 -0.231 -8.594 1.00 0.00 H new ATOM 966 N ILE A 58 1.762 -3.108 -7.663 1.00 0.00 N ATOM 967 CA ILE A 58 1.505 -3.749 -6.380 1.00 0.00 C ATOM 968 C ILE A 58 2.131 -5.143 -6.366 1.00 0.00 C ATOM 969 O ILE A 58 2.709 -5.572 -5.366 1.00 0.00 O ATOM 970 CB ILE A 58 -0.009 -3.857 -6.092 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.669 -2.478 -6.192 1.00 0.00 C ATOM 972 CG2 ILE A 58 -0.244 -4.457 -4.712 1.00 0.00 C ATOM 973 CD1 ILE A 58 -2.162 -2.494 -5.934 1.00 0.00 C ATOM 0 H ILE A 58 0.931 -2.961 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 58 1.953 -3.132 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.459 -4.513 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.194 -1.805 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.486 -2.069 -7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.315 -4.527 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.198 -5.452 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.217 -3.822 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.557 -1.482 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.650 -3.140 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.354 -2.872 -4.930 1.00 0.00 H new ATOM 985 N GLN A 59 2.016 -5.837 -7.496 1.00 0.00 N ATOM 986 CA GLN A 59 2.661 -7.133 -7.681 1.00 0.00 C ATOM 987 C GLN A 59 4.173 -6.977 -7.516 1.00 0.00 C ATOM 988 O GLN A 59 4.828 -7.779 -6.845 1.00 0.00 O ATOM 989 CB GLN A 59 2.307 -7.684 -9.072 1.00 0.00 C ATOM 990 CG GLN A 59 2.629 -9.160 -9.288 1.00 0.00 C ATOM 991 CD GLN A 59 4.107 -9.435 -9.502 1.00 0.00 C ATOM 992 OE1 GLN A 59 4.846 -8.595 -10.017 1.00 0.00 O ATOM 993 NE2 GLN A 59 4.542 -10.629 -9.137 1.00 0.00 N ATOM 0 H GLN A 59 1.478 -5.520 -8.302 1.00 0.00 H new ATOM 0 HA GLN A 59 2.307 -7.840 -6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.242 -7.532 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.838 -7.099 -9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.284 -9.729 -8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.072 -9.522 -10.152 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.899 -11.298 -8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.520 -10.881 -9.279 1.00 0.00 H new ATOM 1002 N ARG A 60 4.704 -5.921 -8.121 1.00 0.00 N ATOM 1003 CA ARG A 60 6.118 -5.574 -8.010 1.00 0.00 C ATOM 1004 C ARG A 60 6.511 -5.348 -6.552 1.00 0.00 C ATOM 1005 O ARG A 60 7.563 -5.806 -6.110 1.00 0.00 O ATOM 1006 CB ARG A 60 6.400 -4.318 -8.842 1.00 0.00 C ATOM 1007 CG ARG A 60 7.744 -3.664 -8.562 1.00 0.00 C ATOM 1008 CD ARG A 60 7.916 -2.414 -9.403 1.00 0.00 C ATOM 1009 NE ARG A 60 9.085 -1.630 -9.011 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.027 -1.231 -9.862 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.988 -1.624 -11.131 1.00 0.00 N ATOM 1012 NH2 ARG A 60 11.010 -0.445 -9.442 1.00 0.00 N ATOM 0 H ARG A 60 4.166 -5.279 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 60 6.716 -6.402 -8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.351 -4.579 -9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.610 -3.590 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.817 -3.410 -7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.548 -4.367 -8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.007 -2.696 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.022 -1.796 -9.316 1.00 0.00 H new ATOM 0 HE ARG A 60 9.185 -1.374 -8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.235 -2.232 -11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.711 -1.317 -11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.043 -0.147 -8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.732 -0.139 -10.094 1.00 0.00 H new ATOM 1026 N LEU A 61 5.657 -4.645 -5.814 1.00 0.00 N ATOM 1027 CA LEU A 61 5.876 -4.404 -4.393 1.00 0.00 C ATOM 1028 C LEU A 61 6.084 -5.728 -3.657 1.00 0.00 C ATOM 1029 O LEU A 61 7.021 -5.872 -2.865 1.00 0.00 O ATOM 1030 CB LEU A 61 4.680 -3.617 -3.815 1.00 0.00 C ATOM 1031 CG LEU A 61 4.731 -3.250 -2.322 1.00 0.00 C ATOM 1032 CD1 LEU A 61 4.265 -4.407 -1.453 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.131 -2.814 -1.917 1.00 0.00 C ATOM 0 H LEU A 61 4.801 -4.230 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 61 6.778 -3.808 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.576 -2.694 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.777 -4.202 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 61 4.050 -2.413 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.313 -4.116 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.238 -4.666 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.910 -5.270 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.141 -2.560 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.833 -3.627 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.424 -1.942 -2.502 1.00 0.00 H new ATOM 1045 N TYR A 62 5.220 -6.695 -3.934 1.00 0.00 N ATOM 1046 CA TYR A 62 5.317 -8.001 -3.301 1.00 0.00 C ATOM 1047 C TYR A 62 6.600 -8.708 -3.719 1.00 0.00 C ATOM 1048 O TYR A 62 7.322 -9.236 -2.880 1.00 0.00 O ATOM 1049 CB TYR A 62 4.104 -8.871 -3.640 1.00 0.00 C ATOM 1050 CG TYR A 62 2.792 -8.301 -3.162 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.649 -7.841 -1.860 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.698 -8.220 -4.012 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.450 -7.319 -1.415 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.496 -7.700 -3.578 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.377 -7.247 -2.281 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.823 -6.727 -1.848 1.00 0.00 O ATOM 0 H TYR A 62 4.446 -6.599 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 62 5.337 -7.845 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.058 -9.008 -4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.242 -9.858 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.489 -7.892 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.789 -8.570 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.353 -6.970 -0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.347 -7.648 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.392 -6.530 -2.621 1.00 0.00 H new ATOM 1066 N ALA A 63 6.887 -8.693 -5.014 1.00 0.00 N ATOM 1067 CA ALA A 63 8.062 -9.374 -5.547 1.00 0.00 C ATOM 1068 C ALA A 63 9.358 -8.775 -5.000 1.00 0.00 C ATOM 1069 O ALA A 63 10.204 -9.490 -4.464 1.00 0.00 O ATOM 1070 CB ALA A 63 8.055 -9.324 -7.067 1.00 0.00 C ATOM 0 H ALA A 63 6.322 -8.216 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 63 8.018 -10.414 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.937 -9.836 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.158 -9.815 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.065 -8.285 -7.397 1.00 0.00 H new ATOM 1076 N SER A 64 9.492 -7.460 -5.116 1.00 0.00 N ATOM 1077 CA SER A 64 10.708 -6.768 -4.709 1.00 0.00 C ATOM 1078 C SER A 64 10.890 -6.770 -3.191 1.00 0.00 C ATOM 1079 O SER A 64 11.985 -6.510 -2.692 1.00 0.00 O ATOM 1080 CB SER A 64 10.696 -5.336 -5.247 1.00 0.00 C ATOM 1081 OG SER A 64 10.745 -5.333 -6.661 1.00 0.00 O ATOM 0 H SER A 64 8.768 -6.848 -5.491 1.00 0.00 H new ATOM 0 HA SER A 64 11.555 -7.307 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.796 -4.822 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.547 -4.785 -4.847 1.00 0.00 H new ATOM 0 HG SER A 64 10.735 -4.409 -6.987 1.00 0.00 H new ATOM 1087 N LYS A 65 9.827 -7.048 -2.449 1.00 0.00 N ATOM 1088 CA LYS A 65 9.941 -7.140 -0.998 1.00 0.00 C ATOM 1089 C LYS A 65 10.084 -8.585 -0.538 1.00 0.00 C ATOM 1090 O LYS A 65 10.697 -8.849 0.493 1.00 0.00 O ATOM 1091 CB LYS A 65 8.766 -6.450 -0.314 1.00 0.00 C ATOM 1092 CG LYS A 65 8.929 -4.940 -0.254 1.00 0.00 C ATOM 1093 CD LYS A 65 9.992 -4.532 0.758 1.00 0.00 C ATOM 1094 CE LYS A 65 11.079 -3.657 0.142 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.027 -4.435 -0.703 1.00 0.00 N ATOM 0 H LYS A 65 8.890 -7.212 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 65 10.851 -6.618 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.847 -6.692 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.659 -6.841 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.200 -4.563 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.977 -4.481 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.519 -3.994 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.447 -5.427 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.615 -2.878 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.632 -3.157 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.765 -3.801 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.467 -5.184 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.512 -4.864 -1.498 1.00 0.00 H new ATOM 1109 N LEU A 66 9.531 -9.519 -1.300 1.00 0.00 N ATOM 1110 CA LEU A 66 9.764 -10.935 -1.043 1.00 0.00 C ATOM 1111 C LEU A 66 11.247 -11.229 -1.241 1.00 0.00 C ATOM 1112 O LEU A 66 11.849 -12.020 -0.514 1.00 0.00 O ATOM 1113 CB LEU A 66 8.920 -11.800 -1.983 1.00 0.00 C ATOM 1114 CG LEU A 66 9.043 -13.310 -1.773 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.521 -13.706 -0.402 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.294 -14.060 -2.863 1.00 0.00 C ATOM 0 H LEU A 66 8.922 -9.325 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 66 9.473 -11.172 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.873 -11.518 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.200 -11.569 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 66 10.098 -13.579 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.618 -14.784 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.098 -13.195 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.472 -13.423 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.391 -15.133 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.240 -13.783 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.713 -13.802 -3.836 1.00 0.00 H new ATOM 1128 N GLU A 67 11.817 -10.546 -2.226 1.00 0.00 N ATOM 1129 CA GLU A 67 13.245 -10.588 -2.514 1.00 0.00 C ATOM 1130 C GLU A 67 14.071 -10.192 -1.286 1.00 0.00 C ATOM 1131 O GLU A 67 15.179 -10.693 -1.077 1.00 0.00 O ATOM 1132 CB GLU A 67 13.530 -9.630 -3.672 1.00 0.00 C ATOM 1133 CG GLU A 67 15.000 -9.441 -3.990 1.00 0.00 C ATOM 1134 CD GLU A 67 15.217 -8.388 -5.053 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.261 -7.189 -4.710 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.344 -8.753 -6.237 1.00 0.00 O ATOM 0 H GLU A 67 11.293 -9.939 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 67 13.528 -11.605 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.024 -9.999 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.095 -8.658 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.534 -9.157 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.423 -10.388 -4.325 1.00 0.00 H new ATOM 1143 N SER A 68 13.514 -9.306 -0.470 1.00 0.00 N ATOM 1144 CA SER A 68 14.207 -8.798 0.706 1.00 0.00 C ATOM 1145 C SER A 68 14.183 -9.817 1.846 1.00 0.00 C ATOM 1146 O SER A 68 14.806 -9.612 2.888 1.00 0.00 O ATOM 1147 CB SER A 68 13.558 -7.490 1.153 1.00 0.00 C ATOM 1148 OG SER A 68 13.397 -6.614 0.049 1.00 0.00 O ATOM 0 H SER A 68 12.578 -8.923 -0.603 1.00 0.00 H new ATOM 0 HA SER A 68 15.249 -8.618 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.588 -7.695 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.173 -7.014 1.916 1.00 0.00 H new ATOM 0 HG SER A 68 12.804 -7.027 -0.613 1.00 0.00 H new ATOM 1154 N GLY A 69 13.475 -10.922 1.640 1.00 0.00 N ATOM 1155 CA GLY A 69 13.365 -11.938 2.669 1.00 0.00 C ATOM 1156 C GLY A 69 12.133 -11.748 3.528 1.00 0.00 C ATOM 1157 O GLY A 69 12.154 -12.012 4.732 1.00 0.00 O ATOM 0 H GLY A 69 12.974 -11.132 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.333 -12.923 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.254 -11.912 3.300 1.00 0.00 H new ATOM 1161 N LEU A 70 11.062 -11.282 2.907 1.00 0.00 N ATOM 1162 CA LEU A 70 9.810 -11.061 3.608 1.00 0.00 C ATOM 1163 C LEU A 70 9.109 -12.394 3.837 1.00 0.00 C ATOM 1164 O LEU A 70 8.950 -13.186 2.908 1.00 0.00 O ATOM 1165 CB LEU A 70 8.908 -10.128 2.793 1.00 0.00 C ATOM 1166 CG LEU A 70 8.147 -9.060 3.590 1.00 0.00 C ATOM 1167 CD1 LEU A 70 7.251 -9.687 4.645 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.118 -8.081 4.227 1.00 0.00 C ATOM 0 H LEU A 70 11.036 -11.049 1.914 1.00 0.00 H new ATOM 0 HA LEU A 70 10.018 -10.595 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.521 -9.626 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.182 -10.737 2.254 1.00 0.00 H new ATOM 0 HG LEU A 70 7.508 -8.517 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.727 -8.902 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.524 -10.341 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.858 -10.268 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.562 -7.330 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.786 -8.617 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.704 -7.592 3.449 1.00 0.00 H new ATOM 1180 N SER A 71 8.717 -12.641 5.076 1.00 0.00 N ATOM 1181 CA SER A 71 8.009 -13.859 5.427 1.00 0.00 C ATOM 1182 C SER A 71 6.668 -13.918 4.695 1.00 0.00 C ATOM 1183 O SER A 71 5.892 -12.963 4.748 1.00 0.00 O ATOM 1184 CB SER A 71 7.784 -13.911 6.938 1.00 0.00 C ATOM 1185 OG SER A 71 9.013 -13.824 7.645 1.00 0.00 O ATOM 0 H SER A 71 8.879 -12.009 5.860 1.00 0.00 H new ATOM 0 HA SER A 71 8.610 -14.717 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.130 -13.093 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.276 -14.839 7.201 1.00 0.00 H new ATOM 0 HG SER A 71 8.839 -13.858 8.609 1.00 0.00 H new ATOM 1191 N PRO A 72 6.385 -15.038 4.004 1.00 0.00 N ATOM 1192 CA PRO A 72 5.153 -15.218 3.216 1.00 0.00 C ATOM 1193 C PRO A 72 3.888 -14.862 3.991 1.00 0.00 C ATOM 1194 O PRO A 72 2.941 -14.304 3.431 1.00 0.00 O ATOM 1195 CB PRO A 72 5.167 -16.710 2.878 1.00 0.00 C ATOM 1196 CG PRO A 72 6.607 -17.076 2.871 1.00 0.00 C ATOM 1197 CD PRO A 72 7.258 -16.224 3.928 1.00 0.00 C ATOM 0 HA PRO A 72 5.136 -14.562 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.614 -17.290 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.704 -16.902 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.741 -18.136 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.052 -16.892 1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.312 -16.744 4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.278 -15.954 3.654 1.00 0.00 H new ATOM 1205 N THR A 73 3.882 -15.174 5.279 1.00 0.00 N ATOM 1206 CA THR A 73 2.746 -14.876 6.135 1.00 0.00 C ATOM 1207 C THR A 73 2.508 -13.372 6.236 1.00 0.00 C ATOM 1208 O THR A 73 1.365 -12.912 6.178 1.00 0.00 O ATOM 1209 CB THR A 73 2.952 -15.467 7.540 1.00 0.00 C ATOM 1210 OG1 THR A 73 4.323 -15.316 7.934 1.00 0.00 O ATOM 1211 CG2 THR A 73 2.562 -16.935 7.574 1.00 0.00 C ATOM 0 H THR A 73 4.657 -15.636 5.755 1.00 0.00 H new ATOM 0 HA THR A 73 1.867 -15.335 5.683 1.00 0.00 H new ATOM 0 HB THR A 73 2.312 -14.927 8.238 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.823 -16.124 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.717 -17.329 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.512 -17.039 7.301 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.177 -17.491 6.867 1.00 0.00 H new ATOM 1219 N ARG A 74 3.586 -12.603 6.352 1.00 0.00 N ATOM 1220 CA ARG A 74 3.467 -11.159 6.463 1.00 0.00 C ATOM 1221 C ARG A 74 3.289 -10.534 5.085 1.00 0.00 C ATOM 1222 O ARG A 74 2.687 -9.474 4.955 1.00 0.00 O ATOM 1223 CB ARG A 74 4.674 -10.552 7.181 1.00 0.00 C ATOM 1224 CG ARG A 74 4.519 -9.060 7.447 1.00 0.00 C ATOM 1225 CD ARG A 74 5.631 -8.511 8.329 1.00 0.00 C ATOM 1226 NE ARG A 74 5.671 -9.157 9.641 1.00 0.00 N ATOM 1227 CZ ARG A 74 4.853 -8.862 10.657 1.00 0.00 C ATOM 1228 NH1 ARG A 74 3.877 -7.973 10.505 1.00 0.00 N ATOM 1229 NH2 ARG A 74 5.012 -9.466 11.828 1.00 0.00 N ATOM 0 H ARG A 74 4.543 -12.955 6.371 1.00 0.00 H new ATOM 0 HA ARG A 74 2.583 -10.940 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.825 -11.071 8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.568 -10.718 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.512 -8.523 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.556 -8.877 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.590 -8.650 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.492 -7.438 8.459 1.00 0.00 H new ATOM 0 HE ARG A 74 6.372 -9.883 9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.746 -7.508 9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.259 -7.756 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.756 -10.153 11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.390 -9.244 12.605 1.00 0.00 H new ATOM 1243 N VAL A 75 3.809 -11.192 4.051 1.00 0.00 N ATOM 1244 CA VAL A 75 3.547 -10.769 2.678 1.00 0.00 C ATOM 1245 C VAL A 75 2.048 -10.826 2.410 1.00 0.00 C ATOM 1246 O VAL A 75 1.469 -9.924 1.802 1.00 0.00 O ATOM 1247 CB VAL A 75 4.280 -11.654 1.643 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.950 -11.214 0.224 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.780 -11.618 1.866 1.00 0.00 C ATOM 0 H VAL A 75 4.409 -12.013 4.136 1.00 0.00 H new ATOM 0 HA VAL A 75 3.921 -9.751 2.570 1.00 0.00 H new ATOM 0 HB VAL A 75 3.935 -12.679 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.477 -11.851 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.876 -11.297 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.260 -10.179 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.273 -12.248 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.138 -10.593 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.008 -11.987 2.866 1.00 0.00 H new ATOM 1259 N ARG A 76 1.430 -11.897 2.889 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.007 -12.082 2.778 1.00 0.00 C ATOM 1261 C ARG A 76 -0.739 -11.082 3.678 1.00 0.00 C ATOM 1262 O ARG A 76 -1.822 -10.602 3.339 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.361 -13.517 3.166 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.792 -13.913 2.855 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.050 -15.356 3.249 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.408 -15.790 2.933 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.087 -16.673 3.662 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -3.558 -17.159 4.778 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -5.297 -17.061 3.281 1.00 0.00 N ATOM 0 H ARG A 76 1.912 -12.660 3.365 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.320 -11.904 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.313 -14.198 2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.184 -13.646 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.480 -13.257 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.987 -13.781 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.337 -16.002 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.874 -15.474 4.318 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.861 -15.395 2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.631 -16.856 5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.078 -17.836 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.709 -16.683 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.815 -17.738 3.841 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.127 -10.763 4.816 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.666 -9.765 5.735 1.00 0.00 C ATOM 1285 C TYR A 77 -0.679 -8.396 5.058 1.00 0.00 C ATOM 1286 O TYR A 77 -1.677 -7.682 5.095 1.00 0.00 O ATOM 1287 CB TYR A 77 0.175 -9.715 7.015 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.478 -8.984 8.168 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -0.296 -7.618 8.350 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -1.266 -9.669 9.085 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -0.883 -6.956 9.415 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -1.851 -9.016 10.153 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.659 -7.661 10.313 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.237 -7.010 11.381 1.00 0.00 O ATOM 0 H TYR A 77 0.749 -11.185 5.125 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.686 -10.040 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.398 -10.735 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.127 -9.235 6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.313 -7.065 7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.424 -10.730 8.961 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.735 -5.894 9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.456 -9.565 10.859 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.751 -7.651 11.915 1.00 0.00 H new ATOM 1304 N ILE A 78 0.441 -8.042 4.435 1.00 0.00 N ATOM 1305 CA ILE A 78 0.532 -6.811 3.659 1.00 0.00 C ATOM 1306 C ILE A 78 -0.456 -6.846 2.493 1.00 0.00 C ATOM 1307 O ILE A 78 -1.045 -5.833 2.130 1.00 0.00 O ATOM 1308 CB ILE A 78 1.962 -6.578 3.111 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.981 -6.528 4.255 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.022 -5.292 2.296 1.00 0.00 C ATOM 1311 CD1 ILE A 78 2.723 -5.421 5.256 1.00 0.00 C ATOM 0 H ILE A 78 1.300 -8.592 4.453 1.00 0.00 H new ATOM 0 HA ILE A 78 0.286 -5.988 4.330 1.00 0.00 H new ATOM 0 HB ILE A 78 2.214 -7.415 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.975 -7.485 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.979 -6.400 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.035 -5.146 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.330 -5.360 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.745 -4.448 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.485 -5.450 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.759 -4.457 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.739 -5.559 5.705 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.640 -8.033 1.931 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.562 -8.229 0.818 1.00 0.00 C ATOM 1325 C HIS A 79 -2.988 -7.853 1.209 1.00 0.00 C ATOM 1326 O HIS A 79 -3.679 -7.173 0.452 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.509 -9.684 0.337 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.390 -9.975 -0.842 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.406 -10.907 -0.816 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.387 -9.467 -2.099 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -3.986 -10.960 -1.999 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.389 -10.093 -2.797 1.00 0.00 N ATOM 0 H HIS A 79 -0.159 -8.881 2.230 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.253 -7.574 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.480 -9.932 0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.796 -10.338 1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.719 -8.709 -2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.810 -11.604 -2.270 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.633 -9.918 -3.772 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.422 -8.280 2.390 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.793 -8.033 2.823 1.00 0.00 C ATOM 1343 C VAL A 80 -4.965 -6.609 3.352 1.00 0.00 C ATOM 1344 O VAL A 80 -5.974 -5.963 3.073 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.272 -9.056 3.883 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.217 -10.464 3.313 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.453 -8.975 5.164 1.00 0.00 C ATOM 0 H VAL A 80 -2.850 -8.795 3.060 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.418 -8.156 1.938 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.302 -8.808 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.556 -11.175 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.863 -10.528 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.192 -10.700 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.823 -9.709 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.406 -9.182 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.543 -7.976 5.591 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.972 -6.105 4.081 1.00 0.00 N ATOM 1358 CA VAL A 81 -4.064 -4.762 4.638 1.00 0.00 C ATOM 1359 C VAL A 81 -3.996 -3.714 3.526 1.00 0.00 C ATOM 1360 O VAL A 81 -4.705 -2.711 3.565 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.971 -4.492 5.705 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.580 -4.492 5.096 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -3.233 -3.177 6.423 1.00 0.00 C ATOM 0 H VAL A 81 -3.107 -6.600 4.297 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.029 -4.688 5.139 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.017 -5.304 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.842 -4.299 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.382 -5.462 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.516 -3.714 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.455 -3.007 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.229 -2.361 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.204 -3.219 6.917 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.165 -3.960 2.519 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.061 -3.048 1.390 1.00 0.00 C ATOM 1375 C LEU A 82 -4.328 -3.120 0.548 1.00 0.00 C ATOM 1376 O LEU A 82 -4.761 -2.119 -0.019 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.832 -3.373 0.538 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.564 -2.407 -0.619 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.330 -0.997 -0.099 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.371 -2.877 -1.437 1.00 0.00 C ATOM 0 H LEU A 82 -2.558 -4.778 2.463 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.946 -2.034 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.956 -3.390 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.948 -4.378 0.131 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.443 -2.392 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.141 -0.327 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.212 -0.659 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.469 -0.994 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.194 -2.179 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.512 -2.921 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.576 -3.868 -1.843 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.925 -4.309 0.493 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.189 -4.516 -0.208 1.00 0.00 C ATOM 1394 C HIS A 83 -7.235 -3.517 0.270 1.00 0.00 C ATOM 1395 O HIS A 83 -7.826 -2.786 -0.524 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.707 -5.933 0.041 1.00 0.00 C ATOM 1397 CG HIS A 83 -6.773 -6.812 -1.172 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -7.897 -6.925 -1.961 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -5.863 -7.665 -1.700 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -7.677 -7.809 -2.914 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -6.453 -8.275 -2.781 1.00 0.00 N ATOM 0 H HIS A 83 -4.549 -5.150 0.930 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.011 -4.372 -1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.067 -6.411 0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.704 -5.867 0.476 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.765 -6.405 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.860 -7.834 -1.338 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.383 -8.102 -3.677 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.441 -3.483 1.578 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.455 -2.623 2.168 1.00 0.00 C ATOM 1412 C GLU A 84 -7.987 -1.166 2.235 1.00 0.00 C ATOM 1413 O GLU A 84 -8.766 -0.246 1.985 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.838 -3.140 3.558 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.665 -3.272 4.518 1.00 0.00 C ATOM 1416 CD GLU A 84 -8.071 -3.851 5.854 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -8.785 -3.162 6.611 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -7.694 -5.003 6.148 1.00 0.00 O ATOM 0 H GLU A 84 -6.918 -4.042 2.252 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.337 -2.649 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.576 -2.466 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.318 -4.113 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.901 -3.906 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.214 -2.292 4.673 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.713 -0.957 2.551 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.165 0.391 2.667 1.00 0.00 C ATOM 1427 C ALA A 85 -6.229 1.139 1.338 1.00 0.00 C ATOM 1428 O ALA A 85 -6.583 2.318 1.297 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.735 0.344 3.183 1.00 0.00 C ATOM 0 H ALA A 85 -6.041 -1.703 2.731 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.779 0.936 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.343 1.358 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.718 -0.130 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.118 -0.230 2.492 1.00 0.00 H new ATOM 1435 N MET A 86 -5.896 0.453 0.253 1.00 0.00 N ATOM 1436 CA MET A 86 -5.938 1.055 -1.073 1.00 0.00 C ATOM 1437 C MET A 86 -7.386 1.247 -1.517 1.00 0.00 C ATOM 1438 O MET A 86 -7.707 2.182 -2.252 1.00 0.00 O ATOM 1439 CB MET A 86 -5.188 0.182 -2.082 1.00 0.00 C ATOM 1440 CG MET A 86 -5.026 0.808 -3.464 1.00 0.00 C ATOM 1441 SD MET A 86 -3.611 1.932 -3.581 1.00 0.00 S ATOM 1442 CE MET A 86 -4.132 3.303 -2.551 1.00 0.00 C ATOM 0 H MET A 86 -5.594 -0.521 0.265 1.00 0.00 H new ATOM 0 HA MET A 86 -5.450 2.029 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.200 -0.046 -1.682 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.716 -0.766 -2.186 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.913 0.015 -4.203 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.936 1.353 -3.717 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.757 4.236 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.221 3.335 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.735 3.173 -1.544 1.00 0.00 H new ATOM 1452 N SER A 87 -8.260 0.365 -1.049 1.00 0.00 N ATOM 1453 CA SER A 87 -9.674 0.444 -1.374 1.00 0.00 C ATOM 1454 C SER A 87 -10.286 1.706 -0.769 1.00 0.00 C ATOM 1455 O SER A 87 -11.220 2.284 -1.328 1.00 0.00 O ATOM 1456 CB SER A 87 -10.408 -0.801 -0.873 1.00 0.00 C ATOM 1457 OG SER A 87 -11.731 -0.853 -1.377 1.00 0.00 O ATOM 0 H SER A 87 -8.011 -0.415 -0.441 1.00 0.00 H new ATOM 0 HA SER A 87 -9.780 0.492 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.864 -1.695 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.431 -0.799 0.217 1.00 0.00 H new ATOM 0 HG SER A 87 -12.267 -0.145 -0.962 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.744 2.132 0.370 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.172 3.372 1.013 1.00 0.00 C ATOM 1465 C GLN A 88 -9.963 4.554 0.075 1.00 0.00 C ATOM 1466 O GLN A 88 -10.792 5.457 0.007 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.395 3.601 2.308 1.00 0.00 C ATOM 1468 CG GLN A 88 -9.610 2.520 3.353 1.00 0.00 C ATOM 1469 CD GLN A 88 -8.702 2.693 4.555 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -7.518 3.241 4.325 1.00 0.00 O flip ATOM 1471 NE2 GLN A 88 -9.055 2.333 5.676 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.005 1.635 0.868 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.233 3.285 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.332 3.663 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.686 4.563 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.650 2.536 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.432 1.543 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.976 1.915 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.427 2.452 6.471 1.00 0.00 H new ATOM 1480 N ALA A 89 -8.854 4.532 -0.653 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.544 5.579 -1.614 1.00 0.00 C ATOM 1482 C ALA A 89 -9.558 5.570 -2.753 1.00 0.00 C ATOM 1483 O ALA A 89 -10.019 6.624 -3.197 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.129 5.405 -2.146 1.00 0.00 C ATOM 0 H ALA A 89 -8.151 3.795 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.604 6.545 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.911 6.195 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.420 5.460 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.041 4.435 -2.636 1.00 0.00 H new ATOM 1490 N ARG A 90 -9.913 4.371 -3.205 1.00 0.00 N ATOM 1491 CA ARG A 90 -10.937 4.205 -4.232 1.00 0.00 C ATOM 1492 C ARG A 90 -12.259 4.796 -3.763 1.00 0.00 C ATOM 1493 O ARG A 90 -12.860 5.629 -4.438 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.129 2.719 -4.553 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.229 2.451 -5.570 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.601 0.977 -5.612 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.133 0.513 -4.329 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.012 -0.485 -4.198 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.451 -1.139 -5.267 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.446 -0.833 -2.991 1.00 0.00 N ATOM 0 H ARG A 90 -9.505 3.497 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.610 4.729 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.190 2.314 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.360 2.184 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.110 3.043 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.899 2.773 -6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.342 0.811 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.723 0.388 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.812 0.981 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.117 -0.881 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.122 -1.900 -5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.108 -0.338 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.117 -1.595 -2.890 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.684 4.376 -2.580 1.00 0.00 N ATOM 1515 CA GLU A 91 -13.962 4.795 -2.022 1.00 0.00 C ATOM 1516 C GLU A 91 -13.888 6.216 -1.456 1.00 0.00 C ATOM 1517 O GLU A 91 -14.865 6.733 -0.917 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.396 3.793 -0.955 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.761 2.434 -1.536 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.733 1.317 -0.515 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -15.654 1.233 0.319 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -13.785 0.504 -0.550 1.00 0.00 O ATOM 0 H GLU A 91 -12.156 3.739 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.707 4.814 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.591 3.669 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.253 4.194 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.757 2.490 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.070 2.195 -2.344 1.00 0.00 H new ATOM 1529 N SER A 92 -12.726 6.844 -1.592 1.00 0.00 N ATOM 1530 CA SER A 92 -12.565 8.245 -1.237 1.00 0.00 C ATOM 1531 C SER A 92 -12.804 9.113 -2.471 1.00 0.00 C ATOM 1532 O SER A 92 -12.869 10.340 -2.384 1.00 0.00 O ATOM 1533 CB SER A 92 -11.163 8.496 -0.666 1.00 0.00 C ATOM 1534 OG SER A 92 -10.999 9.845 -0.255 1.00 0.00 O ATOM 0 H SER A 92 -11.879 6.401 -1.947 1.00 0.00 H new ATOM 0 HA SER A 92 -13.294 8.506 -0.470 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.991 7.833 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.414 8.251 -1.419 1.00 0.00 H new ATOM 0 HG SER A 92 -11.552 10.428 -0.817 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.926 8.460 -3.621 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.208 9.165 -4.855 1.00 0.00 C ATOM 1542 C GLY A 93 -11.954 9.570 -5.607 1.00 0.00 C ATOM 1543 O GLY A 93 -12.033 10.027 -6.748 1.00 0.00 O ATOM 0 H GLY A 93 -12.834 7.449 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.821 8.532 -5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.795 10.056 -4.632 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.795 9.388 -4.988 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.537 9.805 -5.598 1.00 0.00 C ATOM 1549 C LEU A 94 -8.970 8.699 -6.486 1.00 0.00 C ATOM 1550 O LEU A 94 -7.993 8.901 -7.208 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.527 10.230 -4.516 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.143 9.164 -3.484 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.086 8.226 -4.040 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -7.649 9.816 -2.203 1.00 0.00 C ATOM 0 H LEU A 94 -10.699 8.957 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.731 10.669 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.617 10.568 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.938 11.088 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.034 8.578 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.831 7.479 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.473 7.729 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.195 8.796 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.381 9.044 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.774 10.429 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.437 10.443 -1.787 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.591 7.529 -6.423 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.171 6.396 -7.226 1.00 0.00 C ATOM 1568 C LEU A 95 -10.386 5.773 -7.901 1.00 0.00 C ATOM 1569 O LEU A 95 -11.432 5.591 -7.274 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.447 5.365 -6.359 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.730 4.248 -7.120 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.702 4.825 -8.083 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.067 3.290 -6.145 1.00 0.00 C ATOM 0 H LEU A 95 -10.392 7.342 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.476 6.738 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.716 5.886 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.172 4.912 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.469 3.698 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.204 4.013 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.201 5.475 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.963 5.400 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.560 2.500 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.340 3.832 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.824 2.850 -5.496 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.245 5.460 -9.178 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.364 4.995 -9.988 1.00 0.00 C ATOM 1587 C LEU A 96 -11.699 3.525 -9.732 1.00 0.00 C ATOM 1588 O LEU A 96 -12.858 3.129 -9.816 1.00 0.00 O ATOM 1589 CB LEU A 96 -11.084 5.216 -11.485 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.895 4.441 -12.077 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.993 4.407 -13.594 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.568 5.066 -11.664 1.00 0.00 C ATOM 0 H LEU A 96 -9.360 5.519 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.230 5.586 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.980 4.947 -12.044 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.914 6.280 -11.648 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.933 3.424 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.145 3.856 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.921 3.916 -13.888 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.983 5.426 -13.982 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.747 4.496 -12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.524 6.095 -12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.483 5.055 -10.577 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.697 2.720 -9.413 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.911 1.287 -9.247 1.00 0.00 C ATOM 1606 C GLN A 97 -10.007 0.723 -8.164 1.00 0.00 C ATOM 1607 O GLN A 97 -9.303 1.466 -7.486 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.657 0.557 -10.566 1.00 0.00 C ATOM 1609 CG GLN A 97 -9.252 0.750 -11.108 1.00 0.00 C ATOM 1610 CD GLN A 97 -9.003 -0.028 -12.384 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -10.044 -0.222 -13.183 1.00 0.00 O flip ATOM 1612 NE2 GLN A 97 -7.879 -0.448 -12.655 1.00 0.00 N flip ATOM 0 H GLN A 97 -9.736 3.028 -9.265 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.947 1.134 -8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.839 -0.508 -10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.375 0.906 -11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.082 1.810 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.530 0.440 -10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.103 -0.279 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.723 -0.966 -13.520 1.00 0.00 H new ATOM 1621 N ASN A 98 -10.038 -0.591 -8.002 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.198 -1.263 -7.023 1.00 0.00 C ATOM 1623 C ASN A 98 -8.181 -2.176 -7.708 1.00 0.00 C ATOM 1624 O ASN A 98 -8.501 -3.287 -8.130 1.00 0.00 O ATOM 1625 CB ASN A 98 -10.046 -2.061 -6.020 1.00 0.00 C ATOM 1626 CG ASN A 98 -11.201 -2.824 -6.659 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -11.189 -3.142 -7.850 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -12.205 -3.142 -5.858 1.00 0.00 N ATOM 0 H ASN A 98 -10.639 -1.216 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.654 -0.495 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.402 -2.767 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.445 -1.377 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -13.001 -3.666 -6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -12.183 -2.863 -4.877 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.930 -1.710 -7.839 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.842 -2.510 -8.406 1.00 0.00 C ATOM 1637 C PRO A 99 -5.452 -3.655 -7.475 1.00 0.00 C ATOM 1638 O PRO A 99 -4.763 -4.594 -7.869 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.683 -1.514 -8.549 1.00 0.00 C ATOM 1640 CG PRO A 99 -5.293 -0.164 -8.366 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.476 -0.365 -7.466 1.00 0.00 C ATOM 0 HA PRO A 99 -6.122 -2.975 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.911 -1.700 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.209 -1.601 -9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.579 0.530 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.598 0.260 -9.323 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.200 -0.307 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.248 0.386 -7.635 1.00 0.00 H new ATOM 1649 N THR A 100 -5.921 -3.566 -6.239 1.00 0.00 N ATOM 1650 CA THR A 100 -5.650 -4.559 -5.214 1.00 0.00 C ATOM 1651 C THR A 100 -6.270 -5.913 -5.552 1.00 0.00 C ATOM 1652 O THR A 100 -5.691 -6.960 -5.256 1.00 0.00 O ATOM 1653 CB THR A 100 -6.177 -4.054 -3.867 1.00 0.00 C ATOM 1654 OG1 THR A 100 -7.362 -3.272 -4.085 1.00 0.00 O ATOM 1655 CG2 THR A 100 -5.125 -3.209 -3.169 1.00 0.00 C ATOM 0 H THR A 100 -6.506 -2.794 -5.918 1.00 0.00 H new ATOM 0 HA THR A 100 -4.571 -4.705 -5.159 1.00 0.00 H new ATOM 0 HB THR A 100 -6.412 -4.909 -3.233 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.703 -2.948 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.515 -2.858 -2.214 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.231 -3.809 -2.998 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.873 -2.353 -3.794 1.00 0.00 H new ATOM 1663 N GLU A 101 -7.435 -5.892 -6.194 1.00 0.00 N ATOM 1664 CA GLU A 101 -8.140 -7.124 -6.548 1.00 0.00 C ATOM 1665 C GLU A 101 -7.415 -7.872 -7.665 1.00 0.00 C ATOM 1666 O GLU A 101 -7.615 -9.073 -7.859 1.00 0.00 O ATOM 1667 CB GLU A 101 -9.574 -6.818 -6.979 1.00 0.00 C ATOM 1668 CG GLU A 101 -10.403 -6.123 -5.908 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.497 -6.917 -4.621 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.827 -8.117 -4.679 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.247 -6.338 -3.543 1.00 0.00 O ATOM 0 H GLU A 101 -7.912 -5.037 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.161 -7.759 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.550 -6.191 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.066 -7.750 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.966 -5.147 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.407 -5.945 -6.293 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.568 -7.155 -8.391 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.800 -7.747 -9.476 1.00 0.00 C ATOM 1680 C ALA A 102 -4.358 -7.996 -9.040 1.00 0.00 C ATOM 1681 O ALA A 102 -3.516 -8.411 -9.838 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.843 -6.849 -10.703 1.00 0.00 C ATOM 0 H ALA A 102 -6.396 -6.160 -8.247 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.247 -8.707 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.264 -7.304 -11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.876 -6.723 -11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.419 -5.876 -10.457 1.00 0.00 H new ATOM 1688 N ALA A 103 -4.083 -7.738 -7.769 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.762 -7.971 -7.212 1.00 0.00 C ATOM 1690 C ALA A 103 -2.695 -9.354 -6.586 1.00 0.00 C ATOM 1691 O ALA A 103 -3.169 -9.575 -5.468 1.00 0.00 O ATOM 1692 CB ALA A 103 -2.420 -6.899 -6.190 1.00 0.00 C ATOM 0 H ALA A 103 -4.761 -7.366 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.028 -7.920 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.427 -7.088 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.434 -5.921 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.153 -6.918 -5.383 1.00 0.00 H new ATOM 1698 N LYS A 104 -2.128 -10.291 -7.322 1.00 0.00 N ATOM 1699 CA LYS A 104 -2.061 -11.672 -6.879 1.00 0.00 C ATOM 1700 C LYS A 104 -0.613 -12.141 -6.773 1.00 0.00 C ATOM 1701 O LYS A 104 0.216 -11.820 -7.627 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.862 -12.564 -7.831 1.00 0.00 C ATOM 1703 CG LYS A 104 -2.564 -12.320 -9.302 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.593 -12.995 -10.193 1.00 0.00 C ATOM 1705 CE LYS A 104 -3.381 -12.645 -11.657 1.00 0.00 C ATOM 1706 NZ LYS A 104 -4.502 -13.119 -12.511 1.00 0.00 N ATOM 0 H LYS A 104 -1.705 -10.120 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.501 -11.743 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.654 -13.608 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.926 -12.404 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.555 -11.248 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.570 -12.697 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.534 -14.076 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.594 -12.692 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.278 -11.565 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.448 -13.089 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.318 -12.860 -13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.585 -14.153 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.389 -12.676 -12.197 1.00 0.00 H new