USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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 47 THR OG1 : rot 180:sc= -0.193 USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= -0.403 F(o=-2.3,f=-0.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -13:sc= 0.385 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.7!) USER MOD Single : A 9 GLN : amide:sc= -0.0794 K(o=-0.079,f=-5.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 16 GLN : amide:sc= 0.147 K(o=0.15,f=-0.76) USER MOD Single : A 17 LYS NZ :NH3+ 137:sc= 0.00845 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0185) USER MOD Single : A 21 GLN : amide:sc= -0.0545 K(o=-0.054,f=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0232 (180deg=-0.156) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.857 X(o=-0.86,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -47:sc= 0.989 USER MOD Single : A 54 GLN : amide:sc= -2.92! C(o=-2.9!,f=-5.2!) USER MOD Single : A 56 GLN : amide:sc= -3.78! C(o=-3.8!,f=-5.8!) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 0.00361 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.0261 (180deg=-0.214) USER MOD Single : A 63 THR OG1 : rot -2:sc= -0.333 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.209 -4.312 26.304 1.00 0.00 N ATOM 2 CA GLY A 1 0.132 -4.550 26.806 1.00 0.00 C ATOM 3 C GLY A 1 1.032 -5.193 25.770 1.00 0.00 C ATOM 4 O GLY A 1 0.960 -6.400 25.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.785 -3.871 27.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.164 -3.678 25.481 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.640 -5.216 26.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.570 -3.605 27.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.079 -5.192 27.686 1.00 0.00 H new ATOM 8 N SER A 2 1.882 -4.386 25.143 1.00 0.00 N ATOM 9 CA SER A 2 2.796 -4.882 24.122 1.00 0.00 C ATOM 10 C SER A 2 2.027 -5.477 22.946 1.00 0.00 C ATOM 11 O SER A 2 2.392 -6.527 22.418 1.00 0.00 O ATOM 12 CB SER A 2 3.735 -5.934 24.716 1.00 0.00 C ATOM 13 OG SER A 2 4.563 -5.371 25.719 1.00 0.00 O ATOM 0 H SER A 2 1.956 -3.385 25.325 1.00 0.00 H new ATOM 0 HA SER A 2 3.387 -4.041 23.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.150 -6.751 25.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.354 -6.361 23.927 1.00 0.00 H new ATOM 0 HG SER A 2 5.152 -6.064 26.084 1.00 0.00 H new ATOM 19 N SER A 3 0.959 -4.796 22.541 1.00 0.00 N ATOM 20 CA SER A 3 0.135 -5.258 21.431 1.00 0.00 C ATOM 21 C SER A 3 0.629 -4.678 20.109 1.00 0.00 C ATOM 22 O SER A 3 -0.163 -4.257 19.267 1.00 0.00 O ATOM 23 CB SER A 3 -1.327 -4.868 21.657 1.00 0.00 C ATOM 24 OG SER A 3 -2.200 -5.716 20.929 1.00 0.00 O ATOM 0 H SER A 3 0.645 -3.923 22.965 1.00 0.00 H new ATOM 0 HA SER A 3 0.211 -6.344 21.382 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.562 -4.925 22.720 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.482 -3.833 21.352 1.00 0.00 H new ATOM 0 HG SER A 3 -3.128 -5.447 21.092 1.00 0.00 H new ATOM 30 N GLY A 4 1.947 -4.659 19.934 1.00 0.00 N ATOM 31 CA GLY A 4 2.526 -4.129 18.714 1.00 0.00 C ATOM 32 C GLY A 4 3.200 -2.788 18.927 1.00 0.00 C ATOM 33 O GLY A 4 4.376 -2.726 19.283 1.00 0.00 O ATOM 0 H GLY A 4 2.624 -5.001 20.616 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.254 -4.840 18.322 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.745 -4.024 17.961 1.00 0.00 H new ATOM 37 N SER A 5 2.452 -1.711 18.706 1.00 0.00 N ATOM 38 CA SER A 5 2.986 -0.364 18.870 1.00 0.00 C ATOM 39 C SER A 5 4.420 -0.281 18.357 1.00 0.00 C ATOM 40 O SER A 5 5.279 0.343 18.981 1.00 0.00 O ATOM 41 CB SER A 5 2.934 0.052 20.342 1.00 0.00 C ATOM 42 OG SER A 5 3.915 -0.634 21.101 1.00 0.00 O ATOM 0 H SER A 5 1.476 -1.745 18.413 1.00 0.00 H new ATOM 0 HA SER A 5 2.370 0.318 18.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.092 1.127 20.425 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.944 -0.157 20.747 1.00 0.00 H new ATOM 0 HG SER A 5 4.280 -1.374 20.572 1.00 0.00 H new ATOM 48 N SER A 6 4.672 -0.915 17.217 1.00 0.00 N ATOM 49 CA SER A 6 6.002 -0.918 16.620 1.00 0.00 C ATOM 50 C SER A 6 6.032 -0.066 15.355 1.00 0.00 C ATOM 51 O SER A 6 5.073 -0.044 14.585 1.00 0.00 O ATOM 52 CB SER A 6 6.436 -2.348 16.296 1.00 0.00 C ATOM 53 OG SER A 6 5.593 -2.927 15.315 1.00 0.00 O ATOM 0 H SER A 6 3.972 -1.434 16.687 1.00 0.00 H new ATOM 0 HA SER A 6 6.698 -0.490 17.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.466 -2.347 15.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.413 -2.953 17.203 1.00 0.00 H new ATOM 0 HG SER A 6 5.892 -3.840 15.124 1.00 0.00 H new ATOM 59 N GLY A 7 7.142 0.636 15.147 1.00 0.00 N ATOM 60 CA GLY A 7 7.278 1.480 13.974 1.00 0.00 C ATOM 61 C GLY A 7 6.236 2.580 13.929 1.00 0.00 C ATOM 62 O GLY A 7 5.167 2.408 13.346 1.00 0.00 O ATOM 0 H GLY A 7 7.950 0.635 15.770 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.273 1.925 13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.194 0.867 13.077 1.00 0.00 H new ATOM 66 N ASN A 8 6.549 3.715 14.547 1.00 0.00 N ATOM 67 CA ASN A 8 5.630 4.847 14.576 1.00 0.00 C ATOM 68 C ASN A 8 5.359 5.364 13.167 1.00 0.00 C ATOM 69 O ASN A 8 4.211 5.415 12.725 1.00 0.00 O ATOM 70 CB ASN A 8 6.202 5.972 15.443 1.00 0.00 C ATOM 71 CG ASN A 8 5.172 7.039 15.757 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.250 7.277 14.977 1.00 0.00 O ATOM 73 ND2 ASN A 8 5.325 7.689 16.905 1.00 0.00 N ATOM 0 H ASN A 8 7.431 3.875 15.034 1.00 0.00 H new ATOM 0 HA ASN A 8 4.688 4.508 15.007 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.582 5.552 16.374 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.049 6.428 14.930 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.663 8.418 17.170 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.104 7.459 17.521 1.00 0.00 H new ATOM 80 N GLN A 9 6.422 5.746 12.467 1.00 0.00 N ATOM 81 CA GLN A 9 6.298 6.258 11.108 1.00 0.00 C ATOM 82 C GLN A 9 6.016 5.128 10.123 1.00 0.00 C ATOM 83 O GLN A 9 5.799 5.366 8.934 1.00 0.00 O ATOM 84 CB GLN A 9 7.573 6.999 10.701 1.00 0.00 C ATOM 85 CG GLN A 9 7.667 8.406 11.269 1.00 0.00 C ATOM 86 CD GLN A 9 8.223 8.430 12.679 1.00 0.00 C ATOM 87 OE1 GLN A 9 8.545 7.387 13.250 1.00 0.00 O ATOM 88 NE2 GLN A 9 8.338 9.623 13.250 1.00 0.00 N ATOM 0 H GLN A 9 7.379 5.711 12.819 1.00 0.00 H new ATOM 0 HA GLN A 9 5.459 6.953 11.084 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.438 6.424 11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.621 7.051 9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.300 9.013 10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.677 8.862 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.059 10.461 12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.705 9.701 14.198 1.00 0.00 H new ATOM 97 N LEU A 10 6.021 3.898 10.625 1.00 0.00 N ATOM 98 CA LEU A 10 5.766 2.730 9.789 1.00 0.00 C ATOM 99 C LEU A 10 4.301 2.311 9.871 1.00 0.00 C ATOM 100 O LEU A 10 3.552 2.800 10.717 1.00 0.00 O ATOM 101 CB LEU A 10 6.665 1.568 10.215 1.00 0.00 C ATOM 102 CG LEU A 10 8.166 1.767 9.999 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.794 2.441 11.210 1.00 0.00 C ATOM 104 CD2 LEU A 10 8.845 0.436 9.715 1.00 0.00 C ATOM 0 H LEU A 10 6.199 3.684 11.606 1.00 0.00 H new ATOM 0 HA LEU A 10 5.991 2.996 8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.493 1.371 11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.355 0.676 9.670 1.00 0.00 H new ATOM 0 HG LEU A 10 8.307 2.415 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.862 2.575 11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.327 3.413 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.643 1.818 12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.912 0.597 9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.695 -0.236 10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.414 -0.008 8.817 1.00 0.00 H new ATOM 116 N TRP A 11 3.901 1.403 8.989 1.00 0.00 N ATOM 117 CA TRP A 11 2.526 0.916 8.964 1.00 0.00 C ATOM 118 C TRP A 11 2.262 -0.029 10.130 1.00 0.00 C ATOM 119 O TRP A 11 2.984 -1.007 10.327 1.00 0.00 O ATOM 120 CB TRP A 11 2.240 0.205 7.640 1.00 0.00 C ATOM 121 CG TRP A 11 2.064 1.146 6.487 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.041 1.866 5.860 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.837 1.469 5.824 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.494 2.617 4.848 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.144 2.391 4.805 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.491 1.068 5.992 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.171 2.917 3.959 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.456 1.591 5.152 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.121 2.507 4.146 1.00 0.00 C ATOM 0 H TRP A 11 4.508 0.989 8.282 1.00 0.00 H new ATOM 0 HA TRP A 11 1.861 1.774 9.059 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.059 -0.480 7.419 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.339 -0.399 7.747 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.089 1.848 6.121 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.010 3.242 4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.759 0.362 6.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.427 3.623 3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.486 1.289 5.273 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.898 2.897 3.505 1.00 0.00 H new ATOM 140 N THR A 12 1.221 0.268 10.903 1.00 0.00 N ATOM 141 CA THR A 12 0.862 -0.555 12.051 1.00 0.00 C ATOM 142 C THR A 12 -0.188 -1.595 11.675 1.00 0.00 C ATOM 143 O THR A 12 -0.904 -1.440 10.686 1.00 0.00 O ATOM 144 CB THR A 12 0.325 0.303 13.211 1.00 0.00 C ATOM 145 OG1 THR A 12 0.138 -0.509 14.376 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.992 0.964 12.832 1.00 0.00 C ATOM 0 H THR A 12 0.612 1.073 10.754 1.00 0.00 H new ATOM 0 HA THR A 12 1.772 -1.061 12.374 1.00 0.00 H new ATOM 0 HB THR A 12 1.056 1.082 13.425 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.202 0.045 15.110 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.351 1.565 13.668 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.841 1.605 11.963 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.729 0.197 12.593 1.00 0.00 H new ATOM 154 N VAL A 13 -0.274 -2.656 12.471 1.00 0.00 N ATOM 155 CA VAL A 13 -1.238 -3.722 12.222 1.00 0.00 C ATOM 156 C VAL A 13 -2.612 -3.152 11.886 1.00 0.00 C ATOM 157 O VAL A 13 -3.250 -3.574 10.922 1.00 0.00 O ATOM 158 CB VAL A 13 -1.367 -4.657 13.439 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.825 -3.881 14.664 1.00 0.00 C ATOM 160 CG2 VAL A 13 -2.323 -5.800 13.133 1.00 0.00 C ATOM 0 H VAL A 13 0.312 -2.801 13.293 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.866 -4.293 11.371 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.386 -5.081 13.654 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.910 -4.559 15.513 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.099 -3.101 14.893 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.795 -3.426 14.465 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.402 -6.451 14.004 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.306 -5.397 12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.946 -6.372 12.285 1.00 0.00 H new ATOM 170 N GLU A 14 -3.061 -2.191 12.687 1.00 0.00 N ATOM 171 CA GLU A 14 -4.360 -1.564 12.473 1.00 0.00 C ATOM 172 C GLU A 14 -4.490 -1.057 11.040 1.00 0.00 C ATOM 173 O GLU A 14 -5.491 -1.309 10.370 1.00 0.00 O ATOM 174 CB GLU A 14 -4.560 -0.408 13.455 1.00 0.00 C ATOM 175 CG GLU A 14 -4.437 -0.819 14.913 1.00 0.00 C ATOM 176 CD GLU A 14 -5.576 -1.712 15.366 1.00 0.00 C ATOM 177 OE1 GLU A 14 -6.747 -1.323 15.173 1.00 0.00 O ATOM 178 OE2 GLU A 14 -5.296 -2.799 15.912 1.00 0.00 O ATOM 0 H GLU A 14 -2.545 -1.830 13.489 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.131 -2.315 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.826 0.369 13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.545 0.030 13.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.491 -1.340 15.061 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.410 0.074 15.537 1.00 0.00 H new ATOM 185 N GLU A 15 -3.470 -0.340 10.577 1.00 0.00 N ATOM 186 CA GLU A 15 -3.472 0.204 9.224 1.00 0.00 C ATOM 187 C GLU A 15 -3.359 -0.912 8.189 1.00 0.00 C ATOM 188 O GLU A 15 -4.199 -1.031 7.297 1.00 0.00 O ATOM 189 CB GLU A 15 -2.320 1.195 9.048 1.00 0.00 C ATOM 190 CG GLU A 15 -2.571 2.542 9.705 1.00 0.00 C ATOM 191 CD GLU A 15 -1.370 3.465 9.622 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.814 3.616 8.514 1.00 0.00 O ATOM 193 OE2 GLU A 15 -0.985 4.034 10.665 1.00 0.00 O ATOM 0 H GLU A 15 -2.633 -0.123 11.118 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.417 0.725 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.411 0.761 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.142 1.347 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.426 3.021 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.835 2.388 10.751 1.00 0.00 H new ATOM 200 N GLN A 16 -2.316 -1.726 8.316 1.00 0.00 N ATOM 201 CA GLN A 16 -2.093 -2.831 7.391 1.00 0.00 C ATOM 202 C GLN A 16 -3.415 -3.468 6.976 1.00 0.00 C ATOM 203 O GLN A 16 -3.774 -3.467 5.798 1.00 0.00 O ATOM 204 CB GLN A 16 -1.185 -3.883 8.030 1.00 0.00 C ATOM 205 CG GLN A 16 0.207 -3.366 8.358 1.00 0.00 C ATOM 206 CD GLN A 16 0.905 -4.200 9.414 1.00 0.00 C ATOM 207 OE1 GLN A 16 0.683 -5.407 9.516 1.00 0.00 O ATOM 208 NE2 GLN A 16 1.755 -3.559 10.209 1.00 0.00 N ATOM 0 H GLN A 16 -1.613 -1.641 9.050 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.606 -2.434 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.653 -4.248 8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.098 -4.734 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.810 -3.357 7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.135 -2.335 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.909 -2.558 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.254 -4.068 10.939 1.00 0.00 H new ATOM 217 N LYS A 17 -4.135 -4.013 7.950 1.00 0.00 N ATOM 218 CA LYS A 17 -5.419 -4.654 7.687 1.00 0.00 C ATOM 219 C LYS A 17 -6.370 -3.696 6.977 1.00 0.00 C ATOM 220 O LYS A 17 -6.969 -4.041 5.958 1.00 0.00 O ATOM 221 CB LYS A 17 -6.048 -5.138 8.995 1.00 0.00 C ATOM 222 CG LYS A 17 -6.285 -4.027 10.004 1.00 0.00 C ATOM 223 CD LYS A 17 -6.853 -4.567 11.305 1.00 0.00 C ATOM 224 CE LYS A 17 -5.753 -5.073 12.226 1.00 0.00 C ATOM 225 NZ LYS A 17 -6.188 -5.094 13.650 1.00 0.00 N ATOM 0 H LYS A 17 -3.852 -4.024 8.930 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.243 -5.511 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.998 -5.625 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.400 -5.892 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.347 -3.509 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.972 -3.293 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.419 -3.784 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.550 -5.377 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.458 -6.077 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.873 -4.438 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.870 -5.977 14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.773 -4.283 14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.225 -5.036 13.697 1.00 0.00 H new ATOM 239 N LYS A 18 -6.502 -2.490 7.519 1.00 0.00 N ATOM 240 CA LYS A 18 -7.378 -1.481 6.937 1.00 0.00 C ATOM 241 C LYS A 18 -7.101 -1.315 5.446 1.00 0.00 C ATOM 242 O LYS A 18 -7.988 -1.514 4.614 1.00 0.00 O ATOM 243 CB LYS A 18 -7.192 -0.140 7.652 1.00 0.00 C ATOM 244 CG LYS A 18 -7.968 1.001 7.018 1.00 0.00 C ATOM 245 CD LYS A 18 -8.317 2.072 8.037 1.00 0.00 C ATOM 246 CE LYS A 18 -9.431 2.978 7.534 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.765 2.323 7.632 1.00 0.00 N ATOM 0 H LYS A 18 -6.013 -2.188 8.361 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.408 -1.814 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.503 -0.246 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.132 0.113 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.378 1.441 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.882 0.614 6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.623 1.601 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.432 2.669 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.437 3.902 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.236 3.252 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.507 3.006 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.802 1.512 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.919 1.993 8.606 1.00 0.00 H new ATOM 261 N LEU A 19 -5.867 -0.952 5.114 1.00 0.00 N ATOM 262 CA LEU A 19 -5.474 -0.762 3.723 1.00 0.00 C ATOM 263 C LEU A 19 -5.784 -2.004 2.894 1.00 0.00 C ATOM 264 O LEU A 19 -6.644 -1.976 2.014 1.00 0.00 O ATOM 265 CB LEU A 19 -3.982 -0.435 3.634 1.00 0.00 C ATOM 266 CG LEU A 19 -3.353 -0.542 2.245 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.931 0.512 1.314 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.840 -0.407 2.333 1.00 0.00 C ATOM 0 H LEU A 19 -5.122 -0.783 5.790 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.048 0.073 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.830 0.580 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.444 -1.102 4.307 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.587 -1.525 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.471 0.420 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.008 0.369 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.729 1.504 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.409 -0.486 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.586 0.562 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.440 -1.200 2.964 1.00 0.00 H new ATOM 280 N GLU A 20 -5.080 -3.094 3.184 1.00 0.00 N ATOM 281 CA GLU A 20 -5.282 -4.347 2.466 1.00 0.00 C ATOM 282 C GLU A 20 -6.752 -4.535 2.103 1.00 0.00 C ATOM 283 O GLU A 20 -7.078 -4.988 1.007 1.00 0.00 O ATOM 284 CB GLU A 20 -4.799 -5.528 3.311 1.00 0.00 C ATOM 285 CG GLU A 20 -3.286 -5.651 3.376 1.00 0.00 C ATOM 286 CD GLU A 20 -2.832 -6.826 4.220 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.425 -7.049 5.295 1.00 0.00 O ATOM 288 OE2 GLU A 20 -1.882 -7.523 3.803 1.00 0.00 O ATOM 0 H GLU A 20 -4.365 -3.134 3.911 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.700 -4.306 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.191 -5.424 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.213 -6.450 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.890 -5.759 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.868 -4.731 3.785 1.00 0.00 H new ATOM 295 N GLN A 21 -7.635 -4.183 3.033 1.00 0.00 N ATOM 296 CA GLN A 21 -9.070 -4.314 2.812 1.00 0.00 C ATOM 297 C GLN A 21 -9.557 -3.298 1.784 1.00 0.00 C ATOM 298 O GLN A 21 -10.218 -3.655 0.808 1.00 0.00 O ATOM 299 CB GLN A 21 -9.829 -4.132 4.127 1.00 0.00 C ATOM 300 CG GLN A 21 -9.943 -5.407 4.946 1.00 0.00 C ATOM 301 CD GLN A 21 -11.040 -6.326 4.447 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.827 -5.955 3.575 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.099 -7.532 4.998 1.00 0.00 N ATOM 0 H GLN A 21 -7.381 -3.805 3.946 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.263 -5.315 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.327 -3.370 4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.830 -3.759 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.991 -5.937 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.136 -5.149 5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.426 -7.797 5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.817 -8.193 4.702 1.00 0.00 H new ATOM 312 N LEU A 22 -9.228 -2.031 2.010 1.00 0.00 N ATOM 313 CA LEU A 22 -9.633 -0.962 1.104 1.00 0.00 C ATOM 314 C LEU A 22 -9.117 -1.221 -0.308 1.00 0.00 C ATOM 315 O LEU A 22 -9.877 -1.172 -1.276 1.00 0.00 O ATOM 316 CB LEU A 22 -9.114 0.385 1.610 1.00 0.00 C ATOM 317 CG LEU A 22 -9.909 1.026 2.748 1.00 0.00 C ATOM 318 CD1 LEU A 22 -9.074 2.084 3.452 1.00 0.00 C ATOM 319 CD2 LEU A 22 -11.203 1.628 2.222 1.00 0.00 C ATOM 0 H LEU A 22 -8.682 -1.719 2.813 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.722 -0.937 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.084 0.253 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.092 1.081 0.772 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.161 0.250 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.656 2.529 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.176 1.624 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.791 2.858 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.756 2.080 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.973 2.391 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.809 0.846 1.765 1.00 0.00 H new ATOM 331 N LEU A 23 -7.822 -1.498 -0.418 1.00 0.00 N ATOM 332 CA LEU A 23 -7.205 -1.767 -1.712 1.00 0.00 C ATOM 333 C LEU A 23 -8.105 -2.647 -2.572 1.00 0.00 C ATOM 334 O LEU A 23 -8.297 -2.383 -3.760 1.00 0.00 O ATOM 335 CB LEU A 23 -5.846 -2.441 -1.520 1.00 0.00 C ATOM 336 CG LEU A 23 -4.676 -1.513 -1.189 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.554 -2.287 -0.515 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.170 -0.824 -2.448 1.00 0.00 C ATOM 0 H LEU A 23 -7.179 -1.542 0.373 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.063 -0.815 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.938 -3.176 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.603 -2.989 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.028 -0.748 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.731 -1.610 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.923 -2.733 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.203 -3.074 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.338 -0.168 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.835 -1.575 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.975 -0.236 -2.889 1.00 0.00 H new ATOM 350 N ILE A 24 -8.657 -3.693 -1.965 1.00 0.00 N ATOM 351 CA ILE A 24 -9.540 -4.610 -2.675 1.00 0.00 C ATOM 352 C ILE A 24 -10.933 -4.012 -2.843 1.00 0.00 C ATOM 353 O ILE A 24 -11.562 -4.160 -3.891 1.00 0.00 O ATOM 354 CB ILE A 24 -9.657 -5.959 -1.942 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.278 -6.603 -1.790 1.00 0.00 C ATOM 356 CG2 ILE A 24 -10.602 -6.888 -2.690 1.00 0.00 C ATOM 357 CD1 ILE A 24 -8.211 -7.635 -0.685 1.00 0.00 C ATOM 0 H ILE A 24 -8.508 -3.926 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.098 -4.777 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.066 -5.781 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.000 -7.074 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.542 -5.824 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.674 -7.837 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.589 -6.430 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.220 -7.063 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.204 -8.050 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.458 -7.165 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.923 -8.435 -0.890 1.00 0.00 H new ATOM 369 N LYS A 25 -11.409 -3.335 -1.804 1.00 0.00 N ATOM 370 CA LYS A 25 -12.727 -2.711 -1.836 1.00 0.00 C ATOM 371 C LYS A 25 -12.865 -1.794 -3.046 1.00 0.00 C ATOM 372 O LYS A 25 -13.884 -1.813 -3.738 1.00 0.00 O ATOM 373 CB LYS A 25 -12.969 -1.917 -0.550 1.00 0.00 C ATOM 374 CG LYS A 25 -14.219 -1.055 -0.594 1.00 0.00 C ATOM 375 CD LYS A 25 -13.915 0.341 -1.109 1.00 0.00 C ATOM 376 CE LYS A 25 -15.184 1.167 -1.262 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.903 1.323 0.032 1.00 0.00 N ATOM 0 H LYS A 25 -10.902 -3.204 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.474 -3.501 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.046 -2.611 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.105 -1.280 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.965 -1.526 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.652 -0.989 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.233 0.843 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.406 0.273 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.932 2.151 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.842 0.690 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.663 2.025 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.313 0.410 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.236 1.643 0.763 1.00 0.00 H new ATOM 391 N TYR A 26 -11.835 -0.993 -3.297 1.00 0.00 N ATOM 392 CA TYR A 26 -11.843 -0.068 -4.424 1.00 0.00 C ATOM 393 C TYR A 26 -11.232 -0.714 -5.663 1.00 0.00 C ATOM 394 O TYR A 26 -10.072 -1.127 -5.672 1.00 0.00 O ATOM 395 CB TYR A 26 -11.076 1.207 -4.069 1.00 0.00 C ATOM 396 CG TYR A 26 -11.856 2.158 -3.189 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.729 3.088 -3.740 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.720 2.126 -1.807 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.443 3.959 -2.941 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.431 2.993 -0.999 1.00 0.00 C ATOM 401 CZ TYR A 26 -13.291 3.907 -1.571 1.00 0.00 C ATOM 402 OH TYR A 26 -14.001 4.772 -0.770 1.00 0.00 O ATOM 0 H TYR A 26 -10.984 -0.966 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.879 0.188 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.149 0.935 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.798 1.722 -4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.851 3.130 -4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.047 1.411 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.116 4.677 -3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.314 2.955 0.074 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.780 4.604 0.170 1.00 0.00 H new ATOM 412 N PRO A 27 -12.031 -0.804 -6.737 1.00 0.00 N ATOM 413 CA PRO A 27 -11.591 -1.398 -8.003 1.00 0.00 C ATOM 414 C PRO A 27 -10.560 -0.534 -8.721 1.00 0.00 C ATOM 415 O PRO A 27 -10.490 0.680 -8.529 1.00 0.00 O ATOM 416 CB PRO A 27 -12.881 -1.482 -8.822 1.00 0.00 C ATOM 417 CG PRO A 27 -13.756 -0.414 -8.262 1.00 0.00 C ATOM 418 CD PRO A 27 -13.425 -0.333 -6.798 1.00 0.00 C ATOM 0 HA PRO A 27 -11.101 -2.360 -7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.688 -1.320 -9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.346 -2.464 -8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.573 0.540 -8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.809 -0.654 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.522 0.685 -6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.087 -0.960 -6.201 1.00 0.00 H new ATOM 426 N PRO A 28 -9.740 -1.171 -9.570 1.00 0.00 N ATOM 427 CA PRO A 28 -8.698 -0.479 -10.334 1.00 0.00 C ATOM 428 C PRO A 28 -9.277 0.423 -11.418 1.00 0.00 C ATOM 429 O PRO A 28 -10.480 0.404 -11.676 1.00 0.00 O ATOM 430 CB PRO A 28 -7.899 -1.624 -10.962 1.00 0.00 C ATOM 431 CG PRO A 28 -8.861 -2.759 -11.040 1.00 0.00 C ATOM 432 CD PRO A 28 -9.767 -2.617 -9.848 1.00 0.00 C ATOM 0 HA PRO A 28 -8.101 0.181 -9.704 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.527 -1.352 -11.950 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.032 -1.881 -10.354 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.430 -2.725 -11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.338 -3.715 -11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.776 -2.965 -10.067 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.407 -3.197 -8.998 1.00 0.00 H new ATOM 440 N GLU A 29 -8.413 1.212 -12.049 1.00 0.00 N ATOM 441 CA GLU A 29 -8.841 2.122 -13.106 1.00 0.00 C ATOM 442 C GLU A 29 -7.650 2.588 -13.937 1.00 0.00 C ATOM 443 O GLU A 29 -6.500 2.298 -13.610 1.00 0.00 O ATOM 444 CB GLU A 29 -9.564 3.330 -12.507 1.00 0.00 C ATOM 445 CG GLU A 29 -8.825 3.964 -11.340 1.00 0.00 C ATOM 446 CD GLU A 29 -9.758 4.650 -10.362 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.906 4.953 -10.751 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.342 4.884 -9.208 1.00 0.00 O ATOM 0 H GLU A 29 -7.414 1.240 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.528 1.584 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.708 4.079 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.555 3.022 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.255 3.197 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.107 4.690 -11.721 1.00 0.00 H new ATOM 455 N GLU A 30 -7.935 3.313 -15.015 1.00 0.00 N ATOM 456 CA GLU A 30 -6.888 3.819 -15.894 1.00 0.00 C ATOM 457 C GLU A 30 -5.808 4.542 -15.094 1.00 0.00 C ATOM 458 O GLU A 30 -4.615 4.308 -15.288 1.00 0.00 O ATOM 459 CB GLU A 30 -7.482 4.764 -16.941 1.00 0.00 C ATOM 460 CG GLU A 30 -6.477 5.228 -17.982 1.00 0.00 C ATOM 461 CD GLU A 30 -5.722 6.470 -17.550 1.00 0.00 C ATOM 462 OE1 GLU A 30 -6.245 7.585 -17.762 1.00 0.00 O ATOM 463 OE2 GLU A 30 -4.609 6.328 -17.003 1.00 0.00 O ATOM 0 H GLU A 30 -8.882 3.563 -15.300 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.432 2.968 -16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.308 4.262 -17.444 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.899 5.636 -16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.766 4.425 -18.179 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.997 5.430 -18.919 1.00 0.00 H new ATOM 470 N VAL A 31 -6.236 5.423 -14.195 1.00 0.00 N ATOM 471 CA VAL A 31 -5.307 6.180 -13.365 1.00 0.00 C ATOM 472 C VAL A 31 -5.274 5.637 -11.941 1.00 0.00 C ATOM 473 O VAL A 31 -6.260 5.728 -11.209 1.00 0.00 O ATOM 474 CB VAL A 31 -5.681 7.674 -13.325 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.802 8.418 -12.331 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.569 8.288 -14.712 1.00 0.00 C ATOM 0 H VAL A 31 -7.220 5.630 -14.023 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.320 6.072 -13.814 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.716 7.763 -12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.081 9.472 -12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.937 7.993 -11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.757 8.323 -12.627 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.837 9.344 -14.665 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.545 8.189 -15.072 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.245 7.772 -15.394 1.00 0.00 H new ATOM 486 N GLU A 32 -4.134 5.073 -11.554 1.00 0.00 N ATOM 487 CA GLU A 32 -3.974 4.515 -10.216 1.00 0.00 C ATOM 488 C GLU A 32 -3.868 5.624 -9.173 1.00 0.00 C ATOM 489 O GLU A 32 -4.284 5.455 -8.027 1.00 0.00 O ATOM 490 CB GLU A 32 -2.731 3.624 -10.157 1.00 0.00 C ATOM 491 CG GLU A 32 -1.441 4.356 -10.487 1.00 0.00 C ATOM 492 CD GLU A 32 -0.331 3.417 -10.916 1.00 0.00 C ATOM 493 OE1 GLU A 32 -0.236 2.310 -10.346 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.443 3.789 -11.823 1.00 0.00 O ATOM 0 H GLU A 32 -3.308 4.990 -12.147 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.855 3.913 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.650 3.194 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.856 2.794 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.630 5.077 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.116 4.922 -9.614 1.00 0.00 H new ATOM 501 N SER A 33 -3.309 6.759 -9.580 1.00 0.00 N ATOM 502 CA SER A 33 -3.144 7.895 -8.680 1.00 0.00 C ATOM 503 C SER A 33 -4.470 8.263 -8.021 1.00 0.00 C ATOM 504 O SER A 33 -4.543 8.441 -6.805 1.00 0.00 O ATOM 505 CB SER A 33 -2.588 9.100 -9.442 1.00 0.00 C ATOM 506 OG SER A 33 -2.582 10.260 -8.628 1.00 0.00 O ATOM 0 H SER A 33 -2.963 6.917 -10.526 1.00 0.00 H new ATOM 0 HA SER A 33 -2.438 7.610 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.575 8.884 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.190 9.280 -10.333 1.00 0.00 H new ATOM 0 HG SER A 33 -2.221 11.015 -9.137 1.00 0.00 H new ATOM 512 N ARG A 34 -5.516 8.376 -8.833 1.00 0.00 N ATOM 513 CA ARG A 34 -6.839 8.724 -8.331 1.00 0.00 C ATOM 514 C ARG A 34 -7.390 7.617 -7.437 1.00 0.00 C ATOM 515 O ARG A 34 -8.186 7.874 -6.533 1.00 0.00 O ATOM 516 CB ARG A 34 -7.799 8.979 -9.495 1.00 0.00 C ATOM 517 CG ARG A 34 -8.082 7.743 -10.333 1.00 0.00 C ATOM 518 CD ARG A 34 -9.456 7.812 -10.981 1.00 0.00 C ATOM 519 NE ARG A 34 -9.463 8.675 -12.159 1.00 0.00 N ATOM 520 CZ ARG A 34 -9.142 8.257 -13.378 1.00 0.00 C ATOM 521 NH1 ARG A 34 -8.791 6.994 -13.579 1.00 0.00 N ATOM 522 NH2 ARG A 34 -9.172 9.102 -14.400 1.00 0.00 N ATOM 0 H ARG A 34 -5.472 8.231 -9.842 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.747 9.634 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.740 9.364 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.381 9.755 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.319 7.643 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.019 6.854 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.774 6.809 -11.265 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.181 8.183 -10.256 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.729 9.652 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.767 6.341 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.545 6.676 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.442 10.074 -14.250 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.925 8.780 -15.336 1.00 0.00 H new ATOM 536 N ARG A 35 -6.960 6.386 -7.695 1.00 0.00 N ATOM 537 CA ARG A 35 -7.411 5.240 -6.915 1.00 0.00 C ATOM 538 C ARG A 35 -6.857 5.297 -5.495 1.00 0.00 C ATOM 539 O ARG A 35 -7.576 5.049 -4.527 1.00 0.00 O ATOM 540 CB ARG A 35 -6.982 3.936 -7.590 1.00 0.00 C ATOM 541 CG ARG A 35 -7.136 2.712 -6.702 1.00 0.00 C ATOM 542 CD ARG A 35 -6.496 1.484 -7.331 1.00 0.00 C ATOM 543 NE ARG A 35 -6.387 0.378 -6.384 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.958 -0.835 -6.716 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.599 -1.095 -7.966 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.886 -1.790 -5.798 1.00 0.00 N ATOM 0 H ARG A 35 -6.300 6.157 -8.438 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.499 5.273 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.572 3.794 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.940 4.022 -7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.679 2.905 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.194 2.521 -6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.086 1.168 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.504 1.742 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.655 0.546 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.652 -0.363 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.270 -2.027 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.160 -1.594 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.556 -2.720 -6.055 1.00 0.00 H new ATOM 560 N TRP A 36 -5.575 5.624 -5.379 1.00 0.00 N ATOM 561 CA TRP A 36 -4.923 5.713 -4.077 1.00 0.00 C ATOM 562 C TRP A 36 -5.546 6.819 -3.231 1.00 0.00 C ATOM 563 O TRP A 36 -5.674 6.683 -2.015 1.00 0.00 O ATOM 564 CB TRP A 36 -3.425 5.968 -4.249 1.00 0.00 C ATOM 565 CG TRP A 36 -2.780 5.061 -5.253 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.954 5.428 -6.277 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.910 3.638 -5.330 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.563 4.318 -6.986 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.135 3.207 -6.425 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.604 2.684 -4.580 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -2.037 1.866 -6.786 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.506 1.354 -4.940 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.727 0.954 -6.034 1.00 0.00 C ATOM 0 H TRP A 36 -4.966 5.832 -6.171 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.065 4.763 -3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.273 7.003 -4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.929 5.843 -3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.653 6.441 -6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.947 4.321 -7.799 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.206 2.982 -3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.438 1.556 -7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.039 0.609 -4.368 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.670 -0.094 -6.289 1.00 0.00 H new ATOM 584 N GLN A 37 -5.930 7.911 -3.883 1.00 0.00 N ATOM 585 CA GLN A 37 -6.539 9.040 -3.189 1.00 0.00 C ATOM 586 C GLN A 37 -7.787 8.604 -2.430 1.00 0.00 C ATOM 587 O GLN A 37 -7.958 8.930 -1.255 1.00 0.00 O ATOM 588 CB GLN A 37 -6.893 10.147 -4.184 1.00 0.00 C ATOM 589 CG GLN A 37 -7.765 11.242 -3.591 1.00 0.00 C ATOM 590 CD GLN A 37 -7.331 11.640 -2.194 1.00 0.00 C ATOM 591 OE1 GLN A 37 -8.127 11.616 -1.254 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.064 12.010 -2.050 1.00 0.00 N ATOM 0 H GLN A 37 -5.831 8.038 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.815 9.425 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.973 10.592 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.408 9.706 -5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.735 12.117 -4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.800 10.902 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.439 12.015 -2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.715 12.289 -1.133 1.00 0.00 H new ATOM 601 N LYS A 38 -8.658 7.864 -3.109 1.00 0.00 N ATOM 602 CA LYS A 38 -9.891 7.381 -2.499 1.00 0.00 C ATOM 603 C LYS A 38 -9.593 6.523 -1.274 1.00 0.00 C ATOM 604 O LYS A 38 -10.208 6.693 -0.221 1.00 0.00 O ATOM 605 CB LYS A 38 -10.704 6.575 -3.514 1.00 0.00 C ATOM 606 CG LYS A 38 -11.046 7.351 -4.774 1.00 0.00 C ATOM 607 CD LYS A 38 -12.059 6.608 -5.630 1.00 0.00 C ATOM 608 CE LYS A 38 -11.916 6.968 -7.101 1.00 0.00 C ATOM 609 NZ LYS A 38 -13.202 6.815 -7.836 1.00 0.00 N ATOM 0 H LYS A 38 -8.532 7.586 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.473 8.246 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.143 5.682 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.628 6.239 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.445 8.329 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.139 7.526 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.926 5.534 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.067 6.847 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.566 7.996 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.158 6.332 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.063 7.070 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.523 5.828 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.919 7.440 -7.416 1.00 0.00 H new ATOM 623 N ILE A 39 -8.646 5.602 -1.419 1.00 0.00 N ATOM 624 CA ILE A 39 -8.265 4.720 -0.323 1.00 0.00 C ATOM 625 C ILE A 39 -7.707 5.514 0.853 1.00 0.00 C ATOM 626 O ILE A 39 -8.053 5.260 2.007 1.00 0.00 O ATOM 627 CB ILE A 39 -7.218 3.684 -0.772 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.838 2.695 -1.761 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.648 2.950 0.433 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.818 1.965 -2.606 1.00 0.00 C ATOM 0 H ILE A 39 -8.129 5.447 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.169 4.198 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.403 4.207 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.430 1.965 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.524 3.231 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.909 2.221 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.174 3.666 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.452 2.436 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.329 1.281 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.242 2.687 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.147 1.400 -1.959 1.00 0.00 H new ATOM 642 N ALA A 40 -6.842 6.477 0.553 1.00 0.00 N ATOM 643 CA ALA A 40 -6.238 7.311 1.585 1.00 0.00 C ATOM 644 C ALA A 40 -7.305 7.978 2.445 1.00 0.00 C ATOM 645 O ALA A 40 -7.316 7.825 3.667 1.00 0.00 O ATOM 646 CB ALA A 40 -5.334 8.360 0.954 1.00 0.00 C ATOM 0 H ALA A 40 -6.544 6.699 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.637 6.670 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.890 8.976 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.544 7.867 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.920 8.990 0.285 1.00 0.00 H new ATOM 652 N ASP A 41 -8.201 8.718 1.801 1.00 0.00 N ATOM 653 CA ASP A 41 -9.273 9.408 2.508 1.00 0.00 C ATOM 654 C ASP A 41 -9.749 8.591 3.705 1.00 0.00 C ATOM 655 O ASP A 41 -9.690 9.051 4.845 1.00 0.00 O ATOM 656 CB ASP A 41 -10.444 9.680 1.562 1.00 0.00 C ATOM 657 CG ASP A 41 -11.280 10.866 2.001 1.00 0.00 C ATOM 658 OD1 ASP A 41 -12.183 10.677 2.843 1.00 0.00 O ATOM 659 OD2 ASP A 41 -11.032 11.984 1.502 1.00 0.00 O ATOM 0 H ASP A 41 -8.206 8.855 0.790 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.882 10.358 2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.061 9.861 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.076 8.794 1.507 1.00 0.00 H new ATOM 664 N GLU A 42 -10.221 7.378 3.437 1.00 0.00 N ATOM 665 CA GLU A 42 -10.709 6.498 4.493 1.00 0.00 C ATOM 666 C GLU A 42 -9.669 6.348 5.600 1.00 0.00 C ATOM 667 O GLU A 42 -9.974 6.514 6.781 1.00 0.00 O ATOM 668 CB GLU A 42 -11.063 5.125 3.920 1.00 0.00 C ATOM 669 CG GLU A 42 -12.475 5.042 3.365 1.00 0.00 C ATOM 670 CD GLU A 42 -13.526 5.448 4.380 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.708 4.713 5.372 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.165 6.503 4.181 1.00 0.00 O ATOM 0 H GLU A 42 -10.276 6.982 2.499 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.606 6.947 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.356 4.878 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.944 4.373 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.555 5.684 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.671 4.023 3.032 1.00 0.00 H new ATOM 679 N LEU A 43 -8.439 6.032 5.208 1.00 0.00 N ATOM 680 CA LEU A 43 -7.353 5.858 6.166 1.00 0.00 C ATOM 681 C LEU A 43 -7.169 7.112 7.015 1.00 0.00 C ATOM 682 O LEU A 43 -6.963 7.030 8.225 1.00 0.00 O ATOM 683 CB LEU A 43 -6.050 5.529 5.434 1.00 0.00 C ATOM 684 CG LEU A 43 -5.857 4.066 5.034 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.955 3.961 3.814 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.283 3.266 6.194 1.00 0.00 C ATOM 0 H LEU A 43 -8.169 5.891 4.234 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.612 5.030 6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.998 6.141 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.215 5.825 6.069 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.831 3.648 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.829 2.913 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.407 4.499 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.982 4.396 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.153 2.227 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.318 3.684 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.966 3.313 7.042 1.00 0.00 H new ATOM 698 N GLY A 44 -7.249 8.273 6.372 1.00 0.00 N ATOM 699 CA GLY A 44 -7.091 9.528 7.084 1.00 0.00 C ATOM 700 C GLY A 44 -5.645 9.820 7.432 1.00 0.00 C ATOM 701 O GLY A 44 -5.161 10.930 7.219 1.00 0.00 O ATOM 0 H GLY A 44 -7.420 8.367 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.486 10.340 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.683 9.500 7.999 1.00 0.00 H new ATOM 705 N ASN A 45 -4.954 8.820 7.970 1.00 0.00 N ATOM 706 CA ASN A 45 -3.555 8.976 8.350 1.00 0.00 C ATOM 707 C ASN A 45 -2.654 8.989 7.118 1.00 0.00 C ATOM 708 O ASN A 45 -1.822 9.882 6.955 1.00 0.00 O ATOM 709 CB ASN A 45 -3.132 7.847 9.292 1.00 0.00 C ATOM 710 CG ASN A 45 -3.697 8.017 10.689 1.00 0.00 C ATOM 711 OD1 ASN A 45 -3.908 9.138 11.153 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.944 6.903 11.368 1.00 0.00 N ATOM 0 H ASN A 45 -5.340 7.894 8.152 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.449 9.930 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.463 6.893 8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.044 7.810 9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.324 6.955 12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.754 5.995 10.944 1.00 0.00 H new ATOM 719 N ARG A 46 -2.828 7.994 6.255 1.00 0.00 N ATOM 720 CA ARG A 46 -2.031 7.891 5.038 1.00 0.00 C ATOM 721 C ARG A 46 -2.641 8.728 3.917 1.00 0.00 C ATOM 722 O ARG A 46 -3.834 9.033 3.932 1.00 0.00 O ATOM 723 CB ARG A 46 -1.921 6.431 4.597 1.00 0.00 C ATOM 724 CG ARG A 46 -1.009 5.595 5.480 1.00 0.00 C ATOM 725 CD ARG A 46 0.457 5.856 5.171 1.00 0.00 C ATOM 726 NE ARG A 46 1.304 5.681 6.348 1.00 0.00 N ATOM 727 CZ ARG A 46 2.597 5.387 6.285 1.00 0.00 C ATOM 728 NH1 ARG A 46 3.190 5.235 5.109 1.00 0.00 N ATOM 729 NH2 ARG A 46 3.301 5.243 7.401 1.00 0.00 N ATOM 0 H ARG A 46 -3.513 7.248 6.375 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.033 8.274 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.916 5.986 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.552 6.397 3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.207 5.822 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.230 4.537 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.787 5.179 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.572 6.870 4.789 1.00 0.00 H new ATOM 0 HE ARG A 46 0.879 5.791 7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.653 5.344 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.184 5.009 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.849 5.358 8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.294 5.017 7.352 1.00 0.00 H new ATOM 743 N THR A 47 -1.813 9.098 2.944 1.00 0.00 N ATOM 744 CA THR A 47 -2.269 9.900 1.816 1.00 0.00 C ATOM 745 C THR A 47 -2.075 9.157 0.499 1.00 0.00 C ATOM 746 O THR A 47 -1.235 8.264 0.397 1.00 0.00 O ATOM 747 CB THR A 47 -1.524 11.246 1.747 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.149 11.029 1.411 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.616 11.985 3.074 1.00 0.00 C ATOM 0 H THR A 47 -0.823 8.855 2.915 1.00 0.00 H new ATOM 0 HA THR A 47 -3.331 10.088 1.971 1.00 0.00 H new ATOM 0 HB THR A 47 -1.994 11.856 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.317 11.890 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.082 12.933 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.662 12.175 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.169 11.377 3.861 1.00 0.00 H new ATOM 757 N ALA A 48 -2.859 9.532 -0.507 1.00 0.00 N ATOM 758 CA ALA A 48 -2.771 8.903 -1.819 1.00 0.00 C ATOM 759 C ALA A 48 -1.323 8.594 -2.184 1.00 0.00 C ATOM 760 O ALA A 48 -1.049 7.676 -2.958 1.00 0.00 O ATOM 761 CB ALA A 48 -3.405 9.795 -2.876 1.00 0.00 C ATOM 0 H ALA A 48 -3.562 10.268 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.317 7.961 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.332 9.313 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.454 9.961 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.884 10.752 -2.905 1.00 0.00 H new ATOM 767 N LYS A 49 -0.399 9.367 -1.623 1.00 0.00 N ATOM 768 CA LYS A 49 1.022 9.176 -1.889 1.00 0.00 C ATOM 769 C LYS A 49 1.588 8.046 -1.036 1.00 0.00 C ATOM 770 O LYS A 49 1.970 6.997 -1.554 1.00 0.00 O ATOM 771 CB LYS A 49 1.791 10.470 -1.615 1.00 0.00 C ATOM 772 CG LYS A 49 3.003 10.660 -2.511 1.00 0.00 C ATOM 773 CD LYS A 49 4.126 9.705 -2.140 1.00 0.00 C ATOM 774 CE LYS A 49 4.027 8.401 -2.916 1.00 0.00 C ATOM 775 NZ LYS A 49 4.747 8.474 -4.218 1.00 0.00 N ATOM 0 H LYS A 49 -0.609 10.132 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 49 1.137 8.907 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.118 11.317 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.115 10.477 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.717 10.500 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.357 11.688 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.088 10.177 -2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.090 9.497 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.441 7.590 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.978 8.163 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.656 7.566 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.336 9.231 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.753 8.676 -4.048 1.00 0.00 H new ATOM 789 N GLN A 50 1.638 8.266 0.274 1.00 0.00 N ATOM 790 CA GLN A 50 2.157 7.265 1.198 1.00 0.00 C ATOM 791 C GLN A 50 1.564 5.891 0.901 1.00 0.00 C ATOM 792 O GLN A 50 2.215 4.866 1.104 1.00 0.00 O ATOM 793 CB GLN A 50 1.850 7.665 2.642 1.00 0.00 C ATOM 794 CG GLN A 50 2.772 8.744 3.184 1.00 0.00 C ATOM 795 CD GLN A 50 2.240 10.143 2.941 1.00 0.00 C ATOM 796 OE1 GLN A 50 2.594 10.722 1.800 1.00 0.00 O flip ATOM 797 NE2 GLN A 50 1.519 10.697 3.771 1.00 0.00 N flip ATOM 0 H GLN A 50 1.325 9.129 0.719 1.00 0.00 H new ATOM 0 HA GLN A 50 3.238 7.211 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.820 8.016 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.924 6.783 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.911 8.593 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.753 8.646 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.272 10.214 4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.169 11.639 3.595 1.00 0.00 H new ATOM 806 N VAL A 51 0.326 5.878 0.419 1.00 0.00 N ATOM 807 CA VAL A 51 -0.355 4.631 0.093 1.00 0.00 C ATOM 808 C VAL A 51 0.265 3.970 -1.133 1.00 0.00 C ATOM 809 O VAL A 51 0.454 2.755 -1.167 1.00 0.00 O ATOM 810 CB VAL A 51 -1.856 4.861 -0.165 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.540 3.556 -0.542 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.516 5.486 1.055 1.00 0.00 C ATOM 0 H VAL A 51 -0.226 6.718 0.245 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.239 3.973 0.954 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.961 5.552 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.600 3.739 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.084 3.154 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.427 2.838 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.576 5.642 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.402 4.821 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.044 6.444 1.274 1.00 0.00 H new ATOM 822 N ALA A 52 0.580 4.780 -2.139 1.00 0.00 N ATOM 823 CA ALA A 52 1.181 4.275 -3.367 1.00 0.00 C ATOM 824 C ALA A 52 2.484 3.537 -3.077 1.00 0.00 C ATOM 825 O ALA A 52 2.709 2.435 -3.576 1.00 0.00 O ATOM 826 CB ALA A 52 1.425 5.416 -4.343 1.00 0.00 C ATOM 0 H ALA A 52 0.429 5.789 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 52 0.486 3.568 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.874 5.024 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.477 5.898 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.098 6.144 -3.891 1.00 0.00 H new ATOM 832 N SER A 53 3.340 4.153 -2.267 1.00 0.00 N ATOM 833 CA SER A 53 4.623 3.557 -1.915 1.00 0.00 C ATOM 834 C SER A 53 4.429 2.170 -1.310 1.00 0.00 C ATOM 835 O SER A 53 5.112 1.217 -1.685 1.00 0.00 O ATOM 836 CB SER A 53 5.373 4.455 -0.930 1.00 0.00 C ATOM 837 OG SER A 53 4.706 4.511 0.319 1.00 0.00 O ATOM 0 H SER A 53 3.168 5.064 -1.843 1.00 0.00 H new ATOM 0 HA SER A 53 5.213 3.458 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.386 4.078 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.462 5.459 -1.344 1.00 0.00 H new ATOM 0 HG SER A 53 3.749 4.665 0.172 1.00 0.00 H new ATOM 843 N GLN A 54 3.494 2.066 -0.371 1.00 0.00 N ATOM 844 CA GLN A 54 3.210 0.796 0.287 1.00 0.00 C ATOM 845 C GLN A 54 2.702 -0.235 -0.715 1.00 0.00 C ATOM 846 O GLN A 54 3.116 -1.394 -0.693 1.00 0.00 O ATOM 847 CB GLN A 54 2.179 0.993 1.400 1.00 0.00 C ATOM 848 CG GLN A 54 1.981 -0.237 2.271 1.00 0.00 C ATOM 849 CD GLN A 54 3.283 -0.762 2.844 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.076 -1.389 2.141 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.510 -0.508 4.128 1.00 0.00 N ATOM 0 H GLN A 54 2.920 2.846 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 54 4.138 0.426 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.491 1.827 2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.224 1.270 0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.301 0.006 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.505 -1.021 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.825 0.015 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.369 -0.836 4.569 1.00 0.00 H new ATOM 860 N VAL A 55 1.803 0.194 -1.595 1.00 0.00 N ATOM 861 CA VAL A 55 1.239 -0.691 -2.606 1.00 0.00 C ATOM 862 C VAL A 55 2.337 -1.410 -3.381 1.00 0.00 C ATOM 863 O VAL A 55 2.164 -2.553 -3.805 1.00 0.00 O ATOM 864 CB VAL A 55 0.349 0.083 -3.597 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.170 -0.845 -4.685 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.802 0.757 -2.865 1.00 0.00 C ATOM 0 H VAL A 55 1.450 1.150 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 55 0.630 -1.425 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 55 0.951 0.858 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.797 -0.281 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.671 -1.276 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.757 -1.644 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.420 1.299 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.406 0.001 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.405 1.454 -2.127 1.00 0.00 H new ATOM 876 N GLN A 56 3.467 -0.734 -3.561 1.00 0.00 N ATOM 877 CA GLN A 56 4.594 -1.309 -4.286 1.00 0.00 C ATOM 878 C GLN A 56 5.058 -2.605 -3.630 1.00 0.00 C ATOM 879 O GLN A 56 5.339 -3.592 -4.311 1.00 0.00 O ATOM 880 CB GLN A 56 5.752 -0.311 -4.345 1.00 0.00 C ATOM 881 CG GLN A 56 5.459 0.910 -5.203 1.00 0.00 C ATOM 882 CD GLN A 56 5.630 0.636 -6.684 1.00 0.00 C ATOM 883 OE1 GLN A 56 4.669 0.311 -7.382 1.00 0.00 O ATOM 884 NE2 GLN A 56 6.858 0.768 -7.173 1.00 0.00 N ATOM 0 H GLN A 56 3.626 0.212 -3.215 1.00 0.00 H new ATOM 0 HA GLN A 56 4.265 -1.534 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.992 0.015 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.636 -0.815 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.439 1.246 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.122 1.724 -4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.625 1.039 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.034 0.598 -8.163 1.00 0.00 H new ATOM 893 N LYS A 57 5.137 -2.597 -2.304 1.00 0.00 N ATOM 894 CA LYS A 57 5.566 -3.772 -1.555 1.00 0.00 C ATOM 895 C LYS A 57 4.373 -4.649 -1.188 1.00 0.00 C ATOM 896 O LYS A 57 4.457 -5.484 -0.287 1.00 0.00 O ATOM 897 CB LYS A 57 6.311 -3.349 -0.286 1.00 0.00 C ATOM 898 CG LYS A 57 7.599 -2.593 -0.561 1.00 0.00 C ATOM 899 CD LYS A 57 7.363 -1.094 -0.622 1.00 0.00 C ATOM 900 CE LYS A 57 7.525 -0.447 0.745 1.00 0.00 C ATOM 901 NZ LYS A 57 7.518 1.039 0.660 1.00 0.00 N ATOM 0 H LYS A 57 4.909 -1.789 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 57 6.238 -4.350 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.655 -2.724 0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.539 -4.236 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.327 -2.816 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.028 -2.933 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.064 -0.643 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.360 -0.898 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.719 -0.777 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.460 -0.780 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.291 1.439 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.455 1.374 0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.803 1.344 -0.031 1.00 0.00 H new ATOM 915 N TYR A 58 3.263 -4.455 -1.893 1.00 0.00 N ATOM 916 CA TYR A 58 2.053 -5.228 -1.640 1.00 0.00 C ATOM 917 C TYR A 58 1.650 -6.027 -2.876 1.00 0.00 C ATOM 918 O TYR A 58 0.973 -7.051 -2.774 1.00 0.00 O ATOM 919 CB TYR A 58 0.909 -4.302 -1.222 1.00 0.00 C ATOM 920 CG TYR A 58 0.881 -4.006 0.260 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.044 -3.674 0.944 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.308 -4.060 0.977 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.023 -3.404 2.299 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.338 -3.790 2.331 1.00 0.00 C ATOM 925 CZ TYR A 58 0.830 -3.462 2.988 1.00 0.00 C ATOM 926 OH TYR A 58 0.803 -3.193 4.337 1.00 0.00 O ATOM 0 H TYR A 58 3.177 -3.770 -2.643 1.00 0.00 H new ATOM 0 HA TYR A 58 2.261 -5.926 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.994 -3.364 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.039 -4.756 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.980 -3.626 0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.224 -4.318 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.936 -3.149 2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.271 -3.835 2.873 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.115 -3.277 4.669 1.00 0.00 H new ATOM 936 N PHE A 59 2.072 -5.553 -4.043 1.00 0.00 N ATOM 937 CA PHE A 59 1.755 -6.222 -5.300 1.00 0.00 C ATOM 938 C PHE A 59 3.029 -6.625 -6.037 1.00 0.00 C ATOM 939 O PHE A 59 3.137 -7.741 -6.546 1.00 0.00 O ATOM 940 CB PHE A 59 0.905 -5.310 -6.187 1.00 0.00 C ATOM 941 CG PHE A 59 -0.417 -4.941 -5.576 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.472 -4.271 -4.365 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.603 -5.265 -6.214 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.687 -3.931 -3.801 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.822 -4.928 -5.654 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.863 -4.259 -4.446 1.00 0.00 C ATOM 0 H PHE A 59 2.634 -4.708 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 59 1.188 -7.124 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.465 -4.399 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.729 -5.806 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.444 -4.011 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.576 -5.787 -7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.717 -3.409 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.740 -5.187 -6.160 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.813 -3.993 -4.007 1.00 0.00 H new ATOM 956 N ILE A 60 3.989 -5.708 -6.091 1.00 0.00 N ATOM 957 CA ILE A 60 5.255 -5.968 -6.765 1.00 0.00 C ATOM 958 C ILE A 60 6.155 -6.863 -5.920 1.00 0.00 C ATOM 959 O ILE A 60 7.135 -7.421 -6.414 1.00 0.00 O ATOM 960 CB ILE A 60 6.003 -4.659 -7.081 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.048 -3.636 -7.698 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.174 -4.930 -8.015 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.638 -2.248 -7.809 1.00 0.00 C ATOM 0 H ILE A 60 3.914 -4.779 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 60 5.016 -6.476 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 60 6.394 -4.248 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.755 -3.978 -8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.141 -3.589 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.693 -3.995 -8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.864 -5.627 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.805 -5.361 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.905 -1.576 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.906 -1.886 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.529 -2.281 -8.436 1.00 0.00 H new ATOM 975 N LYS A 61 5.814 -6.998 -4.643 1.00 0.00 N ATOM 976 CA LYS A 61 6.588 -7.828 -3.727 1.00 0.00 C ATOM 977 C LYS A 61 6.322 -9.309 -3.979 1.00 0.00 C ATOM 978 O LYS A 61 7.245 -10.125 -3.978 1.00 0.00 O ATOM 979 CB LYS A 61 6.249 -7.478 -2.277 1.00 0.00 C ATOM 980 CG LYS A 61 7.296 -7.940 -1.278 1.00 0.00 C ATOM 981 CD LYS A 61 7.008 -7.410 0.116 1.00 0.00 C ATOM 982 CE LYS A 61 8.231 -7.513 1.015 1.00 0.00 C ATOM 983 NZ LYS A 61 9.292 -6.544 0.622 1.00 0.00 N ATOM 0 H LYS A 61 5.006 -6.543 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 61 7.645 -7.631 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.129 -6.398 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.290 -7.927 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.323 -9.029 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.281 -7.603 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.689 -6.370 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.183 -7.970 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.938 -7.331 2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.630 -8.526 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.970 -6.436 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.789 -6.896 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.859 -5.623 0.409 1.00 0.00 H new ATOM 997 N LEU A 62 5.057 -9.649 -4.196 1.00 0.00 N ATOM 998 CA LEU A 62 4.669 -11.033 -4.451 1.00 0.00 C ATOM 999 C LEU A 62 5.067 -11.458 -5.861 1.00 0.00 C ATOM 1000 O LEU A 62 5.506 -12.588 -6.080 1.00 0.00 O ATOM 1001 CB LEU A 62 3.162 -11.204 -4.260 1.00 0.00 C ATOM 1002 CG LEU A 62 2.278 -10.689 -5.397 1.00 0.00 C ATOM 1003 CD1 LEU A 62 2.139 -11.743 -6.484 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.911 -10.282 -4.868 1.00 0.00 C ATOM 0 H LEU A 62 4.282 -8.986 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 62 5.193 -11.669 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.952 -12.264 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.872 -10.693 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 62 2.753 -9.809 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.507 -11.359 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.124 -11.985 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.687 -12.641 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.296 -9.918 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.428 -11.144 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.028 -9.492 -4.126 1.00 0.00 H new ATOM 1016 N THR A 63 4.913 -10.545 -6.815 1.00 0.00 N ATOM 1017 CA THR A 63 5.256 -10.825 -8.203 1.00 0.00 C ATOM 1018 C THR A 63 6.629 -11.480 -8.308 1.00 0.00 C ATOM 1019 O THR A 63 7.618 -10.960 -7.792 1.00 0.00 O ATOM 1020 CB THR A 63 5.247 -9.541 -9.054 1.00 0.00 C ATOM 1021 OG1 THR A 63 6.041 -8.530 -8.423 1.00 0.00 O ATOM 1022 CG2 THR A 63 3.827 -9.031 -9.247 1.00 0.00 C ATOM 0 H THR A 63 4.553 -9.605 -6.651 1.00 0.00 H new ATOM 0 HA THR A 63 4.499 -11.510 -8.584 1.00 0.00 H new ATOM 0 HB THR A 63 5.668 -9.775 -10.032 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.392 -8.872 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.845 -8.124 -9.851 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.233 -9.792 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.384 -8.811 -8.276 1.00 0.00 H new ATOM 1030 N LYS A 64 6.682 -12.625 -8.981 1.00 0.00 N ATOM 1031 CA LYS A 64 7.934 -13.352 -9.157 1.00 0.00 C ATOM 1032 C LYS A 64 9.018 -12.441 -9.723 1.00 0.00 C ATOM 1033 O LYS A 64 10.040 -12.204 -9.081 1.00 0.00 O ATOM 1034 CB LYS A 64 7.725 -14.552 -10.084 1.00 0.00 C ATOM 1035 CG LYS A 64 6.993 -15.709 -9.427 1.00 0.00 C ATOM 1036 CD LYS A 64 6.219 -16.530 -10.445 1.00 0.00 C ATOM 1037 CE LYS A 64 4.857 -15.919 -10.734 1.00 0.00 C ATOM 1038 NZ LYS A 64 4.020 -16.808 -11.586 1.00 0.00 N ATOM 0 H LYS A 64 5.872 -13.069 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 64 8.258 -13.708 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.164 -14.229 -10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.695 -14.901 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.710 -16.349 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.308 -15.325 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.792 -16.599 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.091 -17.547 -10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.340 -15.724 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.988 -14.958 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.100 -16.356 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.502 -16.974 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.873 -17.716 -11.101 1.00 0.00 H new ATOM 1052 N ALA A 65 8.785 -11.931 -10.928 1.00 0.00 N ATOM 1053 CA ALA A 65 9.740 -11.043 -11.579 1.00 0.00 C ATOM 1054 C ALA A 65 9.500 -9.591 -11.180 1.00 0.00 C ATOM 1055 O ALA A 65 8.358 -9.158 -11.033 1.00 0.00 O ATOM 1056 CB ALA A 65 9.659 -11.197 -13.091 1.00 0.00 C ATOM 0 H ALA A 65 7.943 -12.118 -11.473 1.00 0.00 H new ATOM 0 HA ALA A 65 10.741 -11.322 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.378 -10.528 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.888 -12.227 -13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.653 -10.947 -13.429 1.00 0.00 H new ATOM 1062 N GLY A 66 10.585 -8.843 -11.004 1.00 0.00 N ATOM 1063 CA GLY A 66 10.471 -7.448 -10.622 1.00 0.00 C ATOM 1064 C GLY A 66 10.941 -7.195 -9.203 1.00 0.00 C ATOM 1065 O GLY A 66 10.341 -6.403 -8.475 1.00 0.00 O ATOM 0 H GLY A 66 11.541 -9.179 -11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.056 -6.837 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.433 -7.132 -10.719 1.00 0.00 H new ATOM 1069 N ILE A 67 12.015 -7.869 -8.808 1.00 0.00 N ATOM 1070 CA ILE A 67 12.564 -7.714 -7.467 1.00 0.00 C ATOM 1071 C ILE A 67 14.074 -7.929 -7.462 1.00 0.00 C ATOM 1072 O ILE A 67 14.599 -8.832 -8.113 1.00 0.00 O ATOM 1073 CB ILE A 67 11.914 -8.696 -6.475 1.00 0.00 C ATOM 1074 CG1 ILE A 67 10.403 -8.463 -6.409 1.00 0.00 C ATOM 1075 CG2 ILE A 67 12.539 -8.548 -5.096 1.00 0.00 C ATOM 1076 CD1 ILE A 67 9.659 -9.538 -5.648 1.00 0.00 C ATOM 0 H ILE A 67 12.523 -8.528 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 67 12.344 -6.694 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 67 12.091 -9.713 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.212 -7.498 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.007 -8.407 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.069 -9.249 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.607 -8.759 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.390 -7.530 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.594 -9.308 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.819 -10.502 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.027 -9.579 -4.623 1.00 0.00 H new ATOM 1088 N PRO A 68 14.790 -7.081 -6.710 1.00 0.00 N ATOM 1089 CA PRO A 68 16.250 -7.159 -6.600 1.00 0.00 C ATOM 1090 C PRO A 68 16.707 -8.389 -5.823 1.00 0.00 C ATOM 1091 O PRO A 68 15.900 -9.250 -5.473 1.00 0.00 O ATOM 1092 CB PRO A 68 16.618 -5.881 -5.843 1.00 0.00 C ATOM 1093 CG PRO A 68 15.394 -5.535 -5.066 1.00 0.00 C ATOM 1094 CD PRO A 68 14.230 -5.980 -5.908 1.00 0.00 C ATOM 0 HA PRO A 68 16.728 -7.245 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.472 -6.043 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.891 -5.079 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 68 15.391 -6.037 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.346 -4.464 -4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.394 -6.315 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.858 -5.172 -6.539 1.00 0.00 H new ATOM 1102 N VAL A 69 18.008 -8.465 -5.557 1.00 0.00 N ATOM 1103 CA VAL A 69 18.572 -9.589 -4.820 1.00 0.00 C ATOM 1104 C VAL A 69 19.614 -9.117 -3.812 1.00 0.00 C ATOM 1105 O VAL A 69 20.414 -8.227 -4.100 1.00 0.00 O ATOM 1106 CB VAL A 69 19.220 -10.614 -5.770 1.00 0.00 C ATOM 1107 CG1 VAL A 69 19.850 -11.751 -4.979 1.00 0.00 C ATOM 1108 CG2 VAL A 69 18.195 -11.145 -6.759 1.00 0.00 C ATOM 0 H VAL A 69 18.690 -7.762 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 69 17.748 -10.066 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 69 20.009 -10.115 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 69 20.303 -12.465 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.616 -11.351 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 69 19.083 -12.252 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 69 18.670 -11.868 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.383 -11.629 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 69 17.796 -10.319 -7.348 1.00 0.00 H new ATOM 1118 N SER A 70 19.599 -9.720 -2.627 1.00 0.00 N ATOM 1119 CA SER A 70 20.541 -9.360 -1.574 1.00 0.00 C ATOM 1120 C SER A 70 20.436 -10.325 -0.398 1.00 0.00 C ATOM 1121 O SER A 70 19.342 -10.735 -0.012 1.00 0.00 O ATOM 1122 CB SER A 70 20.283 -7.929 -1.098 1.00 0.00 C ATOM 1123 OG SER A 70 21.240 -7.532 -0.131 1.00 0.00 O ATOM 0 H SER A 70 18.945 -10.460 -2.373 1.00 0.00 H new ATOM 0 HA SER A 70 21.549 -9.423 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.317 -7.248 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.282 -7.859 -0.673 1.00 0.00 H new ATOM 0 HG SER A 70 21.054 -6.613 0.155 1.00 0.00 H new ATOM 1129 N GLY A 71 21.584 -10.685 0.169 1.00 0.00 N ATOM 1130 CA GLY A 71 21.600 -11.600 1.296 1.00 0.00 C ATOM 1131 C GLY A 71 22.109 -10.947 2.565 1.00 0.00 C ATOM 1132 O GLY A 71 22.449 -9.764 2.587 1.00 0.00 O ATOM 0 H GLY A 71 22.503 -10.359 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.593 -11.980 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 71 22.228 -12.458 1.055 1.00 0.00 H new ATOM 1136 N PRO A 72 22.166 -11.727 3.655 1.00 0.00 N ATOM 1137 CA PRO A 72 22.635 -11.238 4.955 1.00 0.00 C ATOM 1138 C PRO A 72 24.133 -10.954 4.961 1.00 0.00 C ATOM 1139 O PRO A 72 24.575 -9.919 5.461 1.00 0.00 O ATOM 1140 CB PRO A 72 22.306 -12.391 5.907 1.00 0.00 C ATOM 1141 CG PRO A 72 22.285 -13.603 5.041 1.00 0.00 C ATOM 1142 CD PRO A 72 21.776 -13.146 3.702 1.00 0.00 C ATOM 0 HA PRO A 72 22.165 -10.293 5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.054 -12.480 6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 72 21.344 -12.238 6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 72 23.281 -14.037 4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.638 -14.373 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 72 22.225 -13.713 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.696 -13.269 3.619 1.00 0.00 H new ATOM 1150 N SER A 73 24.908 -11.877 4.403 1.00 0.00 N ATOM 1151 CA SER A 73 26.358 -11.727 4.347 1.00 0.00 C ATOM 1152 C SER A 73 26.824 -11.487 2.914 1.00 0.00 C ATOM 1153 O SER A 73 26.081 -11.720 1.961 1.00 0.00 O ATOM 1154 CB SER A 73 27.043 -12.970 4.918 1.00 0.00 C ATOM 1155 OG SER A 73 26.910 -14.074 4.040 1.00 0.00 O ATOM 0 H SER A 73 24.557 -12.737 3.983 1.00 0.00 H new ATOM 0 HA SER A 73 26.633 -10.861 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 73 28.099 -12.761 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 73 26.607 -13.217 5.886 1.00 0.00 H new ATOM 0 HG SER A 73 27.358 -14.855 4.427 1.00 0.00 H new ATOM 1161 N SER A 74 28.061 -11.021 2.771 1.00 0.00 N ATOM 1162 CA SER A 74 28.627 -10.746 1.456 1.00 0.00 C ATOM 1163 C SER A 74 29.295 -11.991 0.881 1.00 0.00 C ATOM 1164 O SER A 74 30.359 -12.406 1.338 1.00 0.00 O ATOM 1165 CB SER A 74 29.640 -9.603 1.542 1.00 0.00 C ATOM 1166 OG SER A 74 30.055 -9.191 0.251 1.00 0.00 O ATOM 0 H SER A 74 28.690 -10.826 3.550 1.00 0.00 H new ATOM 0 HA SER A 74 27.814 -10.452 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 74 29.197 -8.759 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 74 30.506 -9.923 2.121 1.00 0.00 H new ATOM 0 HG SER A 74 30.701 -8.459 0.333 1.00 0.00 H new ATOM 1172 N GLY A 75 28.661 -12.584 -0.126 1.00 0.00 N ATOM 1173 CA GLY A 75 29.207 -13.776 -0.748 1.00 0.00 C ATOM 1174 C GLY A 75 29.748 -14.764 0.267 1.00 0.00 C ATOM 1175 O GLY A 75 29.202 -14.899 1.362 1.00 0.00 O ATOM 0 H GLY A 75 27.779 -12.260 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.432 -14.259 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 75 30.005 -13.491 -1.434 1.00 0.00 H new TER 1179 GLY A 75