USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -50:sc= -3.24! USER MOD Single : A 22 MET CE :methyl -163:sc= -11.3! (180deg=-13.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.23 K(o=1.2,f=-0.052) USER MOD Single : A 29 ASN : amide:sc= -0.142 K(o=-0.14,f=-5.9!) USER MOD Single : A 30 GLN : amide:sc= 0.0286 X(o=0.029,f=-0.0022) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= -0.189 (180deg=-1.59!) USER MOD Single : A 42 ASN : amide:sc= 0.153 X(o=0.15,f=-0.2) USER MOD Single : A 44 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 45 ASN : amide:sc= -1.36 K(o=-1.4,f=-12!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0901 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0.215 (180deg=0.212) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0933 K(o=-0.093,f=-0.84) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.338 -1.552 17.323 1.00 0.00 N ATOM 2 CA GLY A 1 -2.484 -1.216 18.447 1.00 0.00 C ATOM 3 C GLY A 1 -1.029 -1.554 18.192 1.00 0.00 C ATOM 4 O GLY A 1 -0.289 -0.752 17.623 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.322 -1.302 17.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.029 -1.023 16.482 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.275 -2.572 17.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.574 -0.151 18.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.828 -1.750 19.333 1.00 0.00 H new ATOM 8 N SER A 2 -0.617 -2.745 18.614 1.00 0.00 N ATOM 9 CA SER A 2 0.761 -3.186 18.433 1.00 0.00 C ATOM 10 C SER A 2 1.006 -3.624 16.992 1.00 0.00 C ATOM 11 O SER A 2 0.253 -4.425 16.438 1.00 0.00 O ATOM 12 CB SER A 2 1.081 -4.337 19.389 1.00 0.00 C ATOM 13 OG SER A 2 2.307 -4.959 19.046 1.00 0.00 O ATOM 0 H SER A 2 -1.218 -3.422 19.084 1.00 0.00 H new ATOM 0 HA SER A 2 1.418 -2.345 18.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.134 -3.961 20.411 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.276 -5.072 19.361 1.00 0.00 H new ATOM 0 HG SER A 2 2.490 -5.690 19.673 1.00 0.00 H new ATOM 19 N SER A 3 2.065 -3.092 16.391 1.00 0.00 N ATOM 20 CA SER A 3 2.409 -3.424 15.013 1.00 0.00 C ATOM 21 C SER A 3 3.900 -3.219 14.760 1.00 0.00 C ATOM 22 O SER A 3 4.519 -2.319 15.326 1.00 0.00 O ATOM 23 CB SER A 3 1.594 -2.568 14.041 1.00 0.00 C ATOM 24 OG SER A 3 1.999 -1.212 14.092 1.00 0.00 O ATOM 0 H SER A 3 2.700 -2.429 16.836 1.00 0.00 H new ATOM 0 HA SER A 3 2.171 -4.475 14.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.715 -2.949 13.027 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.534 -2.644 14.286 1.00 0.00 H new ATOM 0 HG SER A 3 1.464 -0.687 13.461 1.00 0.00 H new ATOM 30 N GLY A 4 4.470 -4.063 13.906 1.00 0.00 N ATOM 31 CA GLY A 4 5.884 -3.959 13.593 1.00 0.00 C ATOM 32 C GLY A 4 6.747 -4.784 14.527 1.00 0.00 C ATOM 33 O GLY A 4 6.454 -4.894 15.718 1.00 0.00 O ATOM 0 H GLY A 4 3.979 -4.817 13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.051 -4.285 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.189 -2.914 13.649 1.00 0.00 H new ATOM 37 N SER A 5 7.812 -5.366 13.987 1.00 0.00 N ATOM 38 CA SER A 5 8.718 -6.189 14.780 1.00 0.00 C ATOM 39 C SER A 5 10.038 -5.464 15.025 1.00 0.00 C ATOM 40 O SER A 5 10.253 -4.359 14.528 1.00 0.00 O ATOM 41 CB SER A 5 8.978 -7.522 14.075 1.00 0.00 C ATOM 42 OG SER A 5 9.867 -7.356 12.983 1.00 0.00 O ATOM 0 H SER A 5 8.069 -5.283 13.003 1.00 0.00 H new ATOM 0 HA SER A 5 8.246 -6.381 15.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.397 -8.236 14.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.036 -7.940 13.721 1.00 0.00 H new ATOM 0 HG SER A 5 10.019 -8.222 12.550 1.00 0.00 H new ATOM 48 N SER A 6 10.918 -6.096 15.794 1.00 0.00 N ATOM 49 CA SER A 6 12.216 -5.510 16.109 1.00 0.00 C ATOM 50 C SER A 6 13.344 -6.491 15.800 1.00 0.00 C ATOM 51 O SER A 6 13.648 -7.376 16.598 1.00 0.00 O ATOM 52 CB SER A 6 12.271 -5.101 17.583 1.00 0.00 C ATOM 53 OG SER A 6 11.487 -3.945 17.820 1.00 0.00 O ATOM 0 H SER A 6 10.757 -7.013 16.210 1.00 0.00 H new ATOM 0 HA SER A 6 12.347 -4.624 15.488 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.913 -5.921 18.205 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.304 -4.909 17.872 1.00 0.00 H new ATOM 0 HG SER A 6 11.537 -3.705 18.769 1.00 0.00 H new ATOM 59 N GLY A 7 13.961 -6.325 14.634 1.00 0.00 N ATOM 60 CA GLY A 7 15.048 -7.201 14.239 1.00 0.00 C ATOM 61 C GLY A 7 16.220 -6.442 13.650 1.00 0.00 C ATOM 62 O GLY A 7 16.308 -5.221 13.784 1.00 0.00 O ATOM 0 H GLY A 7 13.727 -5.600 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.386 -7.769 15.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.682 -7.922 13.508 1.00 0.00 H new ATOM 66 N ARG A 8 17.124 -7.165 12.998 1.00 0.00 N ATOM 67 CA ARG A 8 18.299 -6.552 12.390 1.00 0.00 C ATOM 68 C ARG A 8 19.041 -7.554 11.510 1.00 0.00 C ATOM 69 O ARG A 8 19.021 -8.757 11.768 1.00 0.00 O ATOM 70 CB ARG A 8 19.238 -6.013 13.471 1.00 0.00 C ATOM 71 CG ARG A 8 20.168 -4.917 12.978 1.00 0.00 C ATOM 72 CD ARG A 8 19.546 -3.540 13.150 1.00 0.00 C ATOM 73 NE ARG A 8 20.451 -2.474 12.727 1.00 0.00 N ATOM 74 CZ ARG A 8 20.672 -2.161 11.455 1.00 0.00 C ATOM 75 NH1 ARG A 8 20.058 -2.828 10.487 1.00 0.00 N ATOM 76 NH2 ARG A 8 21.510 -1.178 11.149 1.00 0.00 N ATOM 0 H ARG A 8 17.066 -8.176 12.877 1.00 0.00 H new ATOM 0 HA ARG A 8 17.963 -5.724 11.765 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.642 -5.628 14.299 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.836 -6.835 13.864 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.109 -4.963 13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.402 -5.083 11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.624 -3.484 12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.276 -3.392 14.196 1.00 0.00 H new ATOM 0 HE ARG A 8 20.939 -1.941 13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.414 -3.584 10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 8 20.230 -2.585 9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 8 21.984 -0.663 11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.680 -0.938 10.172 1.00 0.00 H new ATOM 90 N GLY A 9 19.696 -7.049 10.469 1.00 0.00 N ATOM 91 CA GLY A 9 20.434 -7.913 9.566 1.00 0.00 C ATOM 92 C GLY A 9 19.524 -8.753 8.692 1.00 0.00 C ATOM 93 O GLY A 9 19.480 -8.571 7.476 1.00 0.00 O ATOM 0 H GLY A 9 19.729 -6.057 10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 9 21.080 -7.304 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.083 -8.570 10.146 1.00 0.00 H new ATOM 97 N SER A 10 18.796 -9.676 9.313 1.00 0.00 N ATOM 98 CA SER A 10 17.886 -10.550 8.583 1.00 0.00 C ATOM 99 C SER A 10 16.898 -9.735 7.753 1.00 0.00 C ATOM 100 O SER A 10 16.152 -8.914 8.286 1.00 0.00 O ATOM 101 CB SER A 10 17.127 -11.457 9.553 1.00 0.00 C ATOM 102 OG SER A 10 16.017 -12.068 8.919 1.00 0.00 O ATOM 0 H SER A 10 18.819 -9.837 10.320 1.00 0.00 H new ATOM 0 HA SER A 10 18.479 -11.167 7.908 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.798 -12.225 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.785 -10.874 10.409 1.00 0.00 H new ATOM 0 HG SER A 10 15.550 -12.644 9.560 1.00 0.00 H new ATOM 108 N ARG A 11 16.900 -9.969 6.445 1.00 0.00 N ATOM 109 CA ARG A 11 16.006 -9.257 5.540 1.00 0.00 C ATOM 110 C ARG A 11 15.451 -10.196 4.473 1.00 0.00 C ATOM 111 O ARG A 11 16.206 -10.802 3.712 1.00 0.00 O ATOM 112 CB ARG A 11 16.740 -8.090 4.877 1.00 0.00 C ATOM 113 CG ARG A 11 16.666 -6.795 5.669 1.00 0.00 C ATOM 114 CD ARG A 11 16.835 -5.581 4.769 1.00 0.00 C ATOM 115 NE ARG A 11 18.142 -5.560 4.117 1.00 0.00 N ATOM 116 CZ ARG A 11 18.484 -4.677 3.185 1.00 0.00 C ATOM 117 NH1 ARG A 11 17.620 -3.750 2.797 1.00 0.00 N ATOM 118 NH2 ARG A 11 19.692 -4.722 2.639 1.00 0.00 N ATOM 0 H ARG A 11 17.511 -10.646 5.988 1.00 0.00 H new ATOM 0 HA ARG A 11 15.173 -8.867 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.786 -8.362 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.320 -7.924 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.707 -6.737 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.441 -6.791 6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.052 -5.580 4.011 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.709 -4.673 5.358 1.00 0.00 H new ATOM 0 HE ARG A 11 18.830 -6.261 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.690 -3.713 3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.885 -3.073 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 11 20.359 -5.435 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.954 -4.044 1.924 1.00 0.00 H new ATOM 132 N PHE A 12 14.128 -10.312 4.423 1.00 0.00 N ATOM 133 CA PHE A 12 13.472 -11.178 3.450 1.00 0.00 C ATOM 134 C PHE A 12 13.343 -10.479 2.100 1.00 0.00 C ATOM 135 O PHE A 12 13.566 -9.273 1.988 1.00 0.00 O ATOM 136 CB PHE A 12 12.090 -11.594 3.957 1.00 0.00 C ATOM 137 CG PHE A 12 11.410 -12.606 3.080 1.00 0.00 C ATOM 138 CD1 PHE A 12 11.807 -13.933 3.094 1.00 0.00 C ATOM 139 CD2 PHE A 12 10.374 -12.229 2.240 1.00 0.00 C ATOM 140 CE1 PHE A 12 11.183 -14.867 2.288 1.00 0.00 C ATOM 141 CE2 PHE A 12 9.746 -13.159 1.433 1.00 0.00 C ATOM 142 CZ PHE A 12 10.152 -14.479 1.455 1.00 0.00 C ATOM 0 H PHE A 12 13.489 -9.817 5.045 1.00 0.00 H new ATOM 0 HA PHE A 12 14.087 -12.069 3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.189 -12.004 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.458 -10.709 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.614 -14.242 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.054 -11.198 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.501 -15.899 2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.938 -12.853 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.664 -15.206 0.822 1.00 0.00 H new ATOM 152 N THR A 13 12.979 -11.245 1.076 1.00 0.00 N ATOM 153 CA THR A 13 12.821 -10.701 -0.267 1.00 0.00 C ATOM 154 C THR A 13 11.783 -11.487 -1.059 1.00 0.00 C ATOM 155 O THR A 13 11.552 -12.668 -0.797 1.00 0.00 O ATOM 156 CB THR A 13 14.155 -10.711 -1.038 1.00 0.00 C ATOM 157 OG1 THR A 13 15.241 -10.459 -0.140 1.00 0.00 O ATOM 158 CG2 THR A 13 14.149 -9.665 -2.142 1.00 0.00 C ATOM 0 H THR A 13 12.788 -12.244 1.151 1.00 0.00 H new ATOM 0 HA THR A 13 12.484 -9.671 -0.153 1.00 0.00 H new ATOM 0 HB THR A 13 14.280 -11.694 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.085 -10.468 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.101 -9.691 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.339 -9.877 -2.840 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.003 -8.677 -1.706 1.00 0.00 H new ATOM 166 N TRP A 14 11.161 -10.826 -2.028 1.00 0.00 N ATOM 167 CA TRP A 14 10.147 -11.465 -2.860 1.00 0.00 C ATOM 168 C TRP A 14 10.616 -11.569 -4.307 1.00 0.00 C ATOM 169 O TRP A 14 10.720 -10.564 -5.010 1.00 0.00 O ATOM 170 CB TRP A 14 8.835 -10.681 -2.792 1.00 0.00 C ATOM 171 CG TRP A 14 8.007 -11.013 -1.588 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.616 -10.155 -0.600 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.469 -12.295 -1.244 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.868 -10.826 0.337 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.763 -12.140 -0.035 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.514 -13.558 -1.841 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.109 -13.201 0.586 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.865 -14.610 -1.223 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.170 -14.426 -0.020 1.00 0.00 C ATOM 0 H TRP A 14 11.340 -9.848 -2.257 1.00 0.00 H new ATOM 0 HA TRP A 14 9.981 -12.472 -2.478 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.057 -9.614 -2.788 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.253 -10.882 -3.691 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.859 -9.103 -0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.457 -10.413 1.174 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.046 -13.709 -2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.573 -13.062 1.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.894 -15.591 -1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.673 -15.268 0.438 1.00 0.00 H new ATOM 190 N ARG A 15 10.899 -12.792 -4.746 1.00 0.00 N ATOM 191 CA ARG A 15 11.358 -13.026 -6.109 1.00 0.00 C ATOM 192 C ARG A 15 10.193 -12.971 -7.093 1.00 0.00 C ATOM 193 O ARG A 15 9.046 -13.234 -6.729 1.00 0.00 O ATOM 194 CB ARG A 15 12.059 -14.383 -6.207 1.00 0.00 C ATOM 195 CG ARG A 15 13.271 -14.510 -5.299 1.00 0.00 C ATOM 196 CD ARG A 15 14.437 -13.675 -5.806 1.00 0.00 C ATOM 197 NE ARG A 15 15.401 -13.383 -4.749 1.00 0.00 N ATOM 198 CZ ARG A 15 16.328 -14.242 -4.342 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.417 -15.441 -4.901 1.00 0.00 N ATOM 200 NH2 ARG A 15 17.170 -13.902 -3.374 1.00 0.00 N ATOM 0 H ARG A 15 10.818 -13.635 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 15 12.066 -12.239 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.346 -15.169 -5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.370 -14.548 -7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.006 -14.193 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.571 -15.556 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.937 -14.205 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.060 -12.740 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 15 15.360 -12.469 -4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.772 -15.706 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.130 -16.099 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.105 -12.980 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.882 -14.563 -3.062 1.00 0.00 H new ATOM 214 N LYS A 16 10.494 -12.627 -8.340 1.00 0.00 N ATOM 215 CA LYS A 16 9.473 -12.537 -9.378 1.00 0.00 C ATOM 216 C LYS A 16 8.716 -13.855 -9.511 1.00 0.00 C ATOM 217 O LYS A 16 7.546 -13.872 -9.890 1.00 0.00 O ATOM 218 CB LYS A 16 10.111 -12.165 -10.718 1.00 0.00 C ATOM 219 CG LYS A 16 9.101 -11.944 -11.831 1.00 0.00 C ATOM 220 CD LYS A 16 8.405 -10.600 -11.695 1.00 0.00 C ATOM 221 CE LYS A 16 9.299 -9.460 -12.159 1.00 0.00 C ATOM 222 NZ LYS A 16 8.837 -8.145 -11.637 1.00 0.00 N ATOM 0 H LYS A 16 11.438 -12.406 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 16 8.765 -11.759 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.703 -11.259 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.800 -12.956 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.605 -11.998 -12.796 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.359 -12.742 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.486 -10.604 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.120 -10.440 -10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.321 -9.643 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.316 -9.432 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.472 -7.394 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.871 -7.958 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.845 -8.162 -10.597 1.00 0.00 H new ATOM 236 N GLU A 17 9.393 -14.955 -9.196 1.00 0.00 N ATOM 237 CA GLU A 17 8.782 -16.277 -9.281 1.00 0.00 C ATOM 238 C GLU A 17 7.711 -16.451 -8.208 1.00 0.00 C ATOM 239 O GLU A 17 6.613 -16.936 -8.485 1.00 0.00 O ATOM 240 CB GLU A 17 9.847 -17.365 -9.136 1.00 0.00 C ATOM 241 CG GLU A 17 11.085 -17.123 -9.983 1.00 0.00 C ATOM 242 CD GLU A 17 12.132 -16.295 -9.264 1.00 0.00 C ATOM 243 OE1 GLU A 17 12.395 -16.573 -8.075 1.00 0.00 O ATOM 244 OE2 GLU A 17 12.689 -15.370 -9.891 1.00 0.00 O ATOM 0 H GLU A 17 10.363 -14.957 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 17 8.310 -16.369 -10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.142 -17.436 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.412 -18.326 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.518 -18.082 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.797 -16.617 -10.904 1.00 0.00 H new ATOM 251 N CYS A 18 8.039 -16.054 -6.984 1.00 0.00 N ATOM 252 CA CYS A 18 7.106 -16.167 -5.868 1.00 0.00 C ATOM 253 C CYS A 18 5.994 -15.129 -5.981 1.00 0.00 C ATOM 254 O CYS A 18 4.888 -15.331 -5.479 1.00 0.00 O ATOM 255 CB CYS A 18 7.845 -15.998 -4.539 1.00 0.00 C ATOM 256 SG CYS A 18 9.346 -16.997 -4.397 1.00 0.00 S ATOM 0 H CYS A 18 8.943 -15.651 -6.739 1.00 0.00 H new ATOM 0 HA CYS A 18 6.656 -17.159 -5.902 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.107 -14.948 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.170 -16.259 -3.724 1.00 0.00 H new ATOM 0 HG CYS A 18 9.080 -18.228 -4.719 1.00 0.00 H new ATOM 262 N LEU A 19 6.296 -14.016 -6.641 1.00 0.00 N ATOM 263 CA LEU A 19 5.323 -12.945 -6.819 1.00 0.00 C ATOM 264 C LEU A 19 4.297 -13.312 -7.886 1.00 0.00 C ATOM 265 O LEU A 19 3.108 -13.027 -7.743 1.00 0.00 O ATOM 266 CB LEU A 19 6.031 -11.644 -7.203 1.00 0.00 C ATOM 267 CG LEU A 19 6.889 -11.000 -6.114 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.413 -9.650 -6.576 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.093 -10.852 -4.825 1.00 0.00 C ATOM 0 H LEU A 19 7.207 -13.832 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 19 4.801 -12.802 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.665 -11.840 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.277 -10.923 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 19 7.742 -11.650 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.021 -9.207 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.020 -9.782 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.574 -8.991 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.720 -10.392 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.221 -10.223 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.767 -11.835 -4.484 1.00 0.00 H new ATOM 281 N ALA A 20 4.764 -13.949 -8.955 1.00 0.00 N ATOM 282 CA ALA A 20 3.887 -14.360 -10.044 1.00 0.00 C ATOM 283 C ALA A 20 2.830 -15.344 -9.556 1.00 0.00 C ATOM 284 O ALA A 20 1.669 -15.274 -9.959 1.00 0.00 O ATOM 285 CB ALA A 20 4.700 -14.974 -11.174 1.00 0.00 C ATOM 0 H ALA A 20 5.746 -14.192 -9.090 1.00 0.00 H new ATOM 0 HA ALA A 20 3.375 -13.474 -10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.032 -15.276 -11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.413 -14.240 -11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.238 -15.846 -10.803 1.00 0.00 H new ATOM 291 N VAL A 21 3.239 -16.262 -8.685 1.00 0.00 N ATOM 292 CA VAL A 21 2.326 -17.260 -8.141 1.00 0.00 C ATOM 293 C VAL A 21 1.351 -16.633 -7.151 1.00 0.00 C ATOM 294 O VAL A 21 0.171 -16.980 -7.122 1.00 0.00 O ATOM 295 CB VAL A 21 3.092 -18.398 -7.440 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.129 -19.467 -6.949 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.133 -18.994 -8.375 1.00 0.00 C ATOM 0 H VAL A 21 4.197 -16.335 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 21 1.769 -17.671 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 21 3.609 -17.985 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.689 -20.262 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.426 -19.026 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.581 -19.880 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.665 -19.796 -7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.640 -19.393 -9.262 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.842 -18.220 -8.671 1.00 0.00 H new ATOM 307 N MET A 22 1.853 -15.706 -6.342 1.00 0.00 N ATOM 308 CA MET A 22 1.025 -15.028 -5.351 1.00 0.00 C ATOM 309 C MET A 22 -0.079 -14.221 -6.026 1.00 0.00 C ATOM 310 O MET A 22 -1.190 -14.117 -5.505 1.00 0.00 O ATOM 311 CB MET A 22 1.884 -14.109 -4.480 1.00 0.00 C ATOM 312 CG MET A 22 2.480 -14.804 -3.266 1.00 0.00 C ATOM 313 SD MET A 22 2.874 -13.657 -1.932 1.00 0.00 S ATOM 314 CE MET A 22 4.449 -13.014 -2.493 1.00 0.00 C ATOM 0 H MET A 22 2.828 -15.407 -6.353 1.00 0.00 H new ATOM 0 HA MET A 22 0.563 -15.787 -4.720 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.692 -13.698 -5.086 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.277 -13.268 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.778 -15.553 -2.900 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.385 -15.334 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.964 -12.535 -1.660 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.060 -13.831 -2.875 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.283 -12.284 -3.285 1.00 0.00 H new ATOM 324 N GLU A 23 0.233 -13.653 -7.186 1.00 0.00 N ATOM 325 CA GLU A 23 -0.734 -12.854 -7.930 1.00 0.00 C ATOM 326 C GLU A 23 -1.884 -13.723 -8.433 1.00 0.00 C ATOM 327 O GLU A 23 -3.042 -13.306 -8.420 1.00 0.00 O ATOM 328 CB GLU A 23 -0.053 -12.156 -9.109 1.00 0.00 C ATOM 329 CG GLU A 23 0.542 -10.804 -8.755 1.00 0.00 C ATOM 330 CD GLU A 23 1.292 -10.175 -9.913 1.00 0.00 C ATOM 331 OE1 GLU A 23 2.338 -10.728 -10.311 1.00 0.00 O ATOM 332 OE2 GLU A 23 0.833 -9.131 -10.421 1.00 0.00 O ATOM 0 H GLU A 23 1.147 -13.731 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.139 -12.099 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.736 -12.801 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.779 -12.025 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.255 -10.133 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.219 -10.920 -7.909 1.00 0.00 H new ATOM 339 N SER A 24 -1.554 -14.932 -8.877 1.00 0.00 N ATOM 340 CA SER A 24 -2.557 -15.858 -9.389 1.00 0.00 C ATOM 341 C SER A 24 -3.570 -16.215 -8.305 1.00 0.00 C ATOM 342 O SER A 24 -4.780 -16.129 -8.517 1.00 0.00 O ATOM 343 CB SER A 24 -1.887 -17.128 -9.915 1.00 0.00 C ATOM 344 OG SER A 24 -2.848 -18.042 -10.416 1.00 0.00 O ATOM 0 H SER A 24 -0.600 -15.293 -8.892 1.00 0.00 H new ATOM 0 HA SER A 24 -3.084 -15.368 -10.208 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.180 -16.870 -10.704 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.315 -17.599 -9.116 1.00 0.00 H new ATOM 0 HG SER A 24 -2.394 -18.845 -10.748 1.00 0.00 H new ATOM 350 N TYR A 25 -3.066 -16.618 -7.143 1.00 0.00 N ATOM 351 CA TYR A 25 -3.926 -16.991 -6.026 1.00 0.00 C ATOM 352 C TYR A 25 -4.781 -15.810 -5.578 1.00 0.00 C ATOM 353 O TYR A 25 -5.922 -15.981 -5.149 1.00 0.00 O ATOM 354 CB TYR A 25 -3.083 -17.499 -4.855 1.00 0.00 C ATOM 355 CG TYR A 25 -2.709 -18.959 -4.966 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.794 -19.392 -5.919 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.271 -19.907 -4.121 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.450 -20.725 -6.025 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.932 -21.243 -4.218 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.021 -21.647 -5.172 1.00 0.00 C ATOM 361 OH TYR A 25 -1.681 -22.977 -5.274 1.00 0.00 O ATOM 0 H TYR A 25 -2.067 -16.695 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.589 -17.789 -6.361 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.172 -16.904 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.634 -17.343 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.344 -18.673 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.986 -19.594 -3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.738 -21.044 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.377 -21.966 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.171 -23.493 -4.600 1.00 0.00 H new ATOM 371 N PHE A 26 -4.220 -14.609 -5.681 1.00 0.00 N ATOM 372 CA PHE A 26 -4.929 -13.398 -5.287 1.00 0.00 C ATOM 373 C PHE A 26 -6.092 -13.115 -6.234 1.00 0.00 C ATOM 374 O PHE A 26 -7.152 -12.655 -5.812 1.00 0.00 O ATOM 375 CB PHE A 26 -3.972 -12.205 -5.266 1.00 0.00 C ATOM 376 CG PHE A 26 -4.500 -11.025 -4.501 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.503 -10.230 -5.033 1.00 0.00 C ATOM 378 CD2 PHE A 26 -3.994 -10.711 -3.250 1.00 0.00 C ATOM 379 CE1 PHE A 26 -5.992 -9.144 -4.332 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.479 -9.626 -2.544 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.478 -8.841 -3.086 1.00 0.00 C ATOM 0 H PHE A 26 -3.276 -14.449 -6.034 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.329 -13.552 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.024 -12.518 -4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.763 -11.899 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.907 -10.462 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.212 -11.321 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.775 -8.533 -4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.077 -9.392 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.857 -7.992 -2.537 1.00 0.00 H new ATOM 391 N ASN A 27 -5.883 -13.394 -7.517 1.00 0.00 N ATOM 392 CA ASN A 27 -6.913 -13.168 -8.525 1.00 0.00 C ATOM 393 C ASN A 27 -8.126 -14.058 -8.271 1.00 0.00 C ATOM 394 O ASN A 27 -9.265 -13.647 -8.491 1.00 0.00 O ATOM 395 CB ASN A 27 -6.353 -13.436 -9.924 1.00 0.00 C ATOM 396 CG ASN A 27 -5.750 -12.195 -10.553 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.447 -11.414 -11.201 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.449 -12.009 -10.364 1.00 0.00 N ATOM 0 H ASN A 27 -5.011 -13.776 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.229 -12.127 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.594 -14.216 -9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.149 -13.814 -10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.987 -11.192 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.911 -12.683 -9.819 1.00 0.00 H new ATOM 405 N GLU A 28 -7.872 -15.278 -7.808 1.00 0.00 N ATOM 406 CA GLU A 28 -8.944 -16.225 -7.525 1.00 0.00 C ATOM 407 C GLU A 28 -9.560 -15.956 -6.154 1.00 0.00 C ATOM 408 O GLU A 28 -10.757 -16.153 -5.951 1.00 0.00 O ATOM 409 CB GLU A 28 -8.417 -17.660 -7.586 1.00 0.00 C ATOM 410 CG GLU A 28 -7.557 -18.044 -6.394 1.00 0.00 C ATOM 411 CD GLU A 28 -7.465 -19.546 -6.201 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.514 -20.219 -6.284 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.346 -20.047 -5.968 1.00 0.00 O ATOM 0 H GLU A 28 -6.934 -15.633 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.716 -16.097 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.262 -18.346 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.835 -17.786 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.555 -17.636 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.968 -17.590 -5.492 1.00 0.00 H new ATOM 420 N ASN A 29 -8.731 -15.506 -5.218 1.00 0.00 N ATOM 421 CA ASN A 29 -9.192 -15.212 -3.866 1.00 0.00 C ATOM 422 C ASN A 29 -8.246 -14.240 -3.168 1.00 0.00 C ATOM 423 O ASN A 29 -7.029 -14.419 -3.193 1.00 0.00 O ATOM 424 CB ASN A 29 -9.308 -16.502 -3.052 1.00 0.00 C ATOM 425 CG ASN A 29 -10.032 -16.292 -1.735 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.449 -15.179 -1.415 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.182 -17.363 -0.966 1.00 0.00 N ATOM 0 H ASN A 29 -7.737 -15.337 -5.371 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.175 -14.746 -3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.838 -17.252 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.311 -16.896 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.660 -17.283 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.820 -18.266 -1.273 1.00 0.00 H new ATOM 434 N GLN A 30 -8.815 -13.212 -2.546 1.00 0.00 N ATOM 435 CA GLN A 30 -8.022 -12.212 -1.841 1.00 0.00 C ATOM 436 C GLN A 30 -7.490 -12.769 -0.524 1.00 0.00 C ATOM 437 O GLN A 30 -6.374 -12.453 -0.110 1.00 0.00 O ATOM 438 CB GLN A 30 -8.859 -10.959 -1.578 1.00 0.00 C ATOM 439 CG GLN A 30 -9.505 -10.386 -2.828 1.00 0.00 C ATOM 440 CD GLN A 30 -9.691 -8.883 -2.753 1.00 0.00 C ATOM 441 OE1 GLN A 30 -10.806 -8.392 -2.579 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.595 -8.143 -2.883 1.00 0.00 N ATOM 0 H GLN A 30 -9.822 -13.050 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.173 -11.947 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.638 -11.198 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.225 -10.197 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.890 -10.629 -3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.474 -10.861 -2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.690 -8.592 -3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.658 -7.126 -2.840 1.00 0.00 H new ATOM 451 N TYR A 31 -8.296 -13.598 0.130 1.00 0.00 N ATOM 452 CA TYR A 31 -7.907 -14.196 1.402 1.00 0.00 C ATOM 453 C TYR A 31 -7.830 -15.716 1.288 1.00 0.00 C ATOM 454 O TYR A 31 -8.812 -16.430 1.493 1.00 0.00 O ATOM 455 CB TYR A 31 -8.901 -13.805 2.498 1.00 0.00 C ATOM 456 CG TYR A 31 -9.361 -12.368 2.413 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.154 -11.932 1.359 1.00 0.00 C ATOM 458 CD2 TYR A 31 -9.004 -11.445 3.388 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.577 -10.620 1.277 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.423 -10.130 3.316 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.208 -9.723 2.258 1.00 0.00 C ATOM 462 OH TYR A 31 -10.628 -8.414 2.181 1.00 0.00 O ATOM 0 H TYR A 31 -9.222 -13.871 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.919 -13.819 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.770 -14.460 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.440 -13.973 3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.445 -12.632 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.388 -11.761 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.193 -10.298 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.137 -9.426 4.083 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.283 -7.914 2.950 1.00 0.00 H new ATOM 472 N PRO A 32 -6.634 -16.222 0.954 1.00 0.00 N ATOM 473 CA PRO A 32 -6.398 -17.662 0.806 1.00 0.00 C ATOM 474 C PRO A 32 -6.446 -18.397 2.141 1.00 0.00 C ATOM 475 O PRO A 32 -5.675 -18.099 3.053 1.00 0.00 O ATOM 476 CB PRO A 32 -4.990 -17.730 0.209 1.00 0.00 C ATOM 477 CG PRO A 32 -4.332 -16.466 0.643 1.00 0.00 C ATOM 478 CD PRO A 32 -5.420 -15.430 0.695 1.00 0.00 C ATOM 0 HA PRO A 32 -7.161 -18.139 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.448 -18.603 0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.024 -17.805 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.861 -16.586 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.548 -16.174 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.241 -14.699 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.493 -14.877 -0.241 1.00 0.00 H new ATOM 486 N ASP A 33 -7.356 -19.359 2.249 1.00 0.00 N ATOM 487 CA ASP A 33 -7.504 -20.138 3.472 1.00 0.00 C ATOM 488 C ASP A 33 -6.146 -20.601 3.989 1.00 0.00 C ATOM 489 O ASP A 33 -5.125 -20.419 3.327 1.00 0.00 O ATOM 490 CB ASP A 33 -8.409 -21.346 3.227 1.00 0.00 C ATOM 491 CG ASP A 33 -9.713 -20.966 2.552 1.00 0.00 C ATOM 492 OD1 ASP A 33 -9.722 -20.836 1.311 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.723 -20.797 3.267 1.00 0.00 O ATOM 0 H ASP A 33 -8.002 -19.618 1.504 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.962 -19.499 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.881 -22.072 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.624 -21.834 4.178 1.00 0.00 H new ATOM 498 N GLU A 34 -6.142 -21.200 5.176 1.00 0.00 N ATOM 499 CA GLU A 34 -4.908 -21.688 5.781 1.00 0.00 C ATOM 500 C GLU A 34 -4.185 -22.650 4.844 1.00 0.00 C ATOM 501 O GLU A 34 -2.994 -22.495 4.576 1.00 0.00 O ATOM 502 CB GLU A 34 -5.207 -22.382 7.112 1.00 0.00 C ATOM 503 CG GLU A 34 -6.425 -21.825 7.829 1.00 0.00 C ATOM 504 CD GLU A 34 -6.385 -22.074 9.325 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.930 -23.163 9.732 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.810 -21.180 10.087 1.00 0.00 O ATOM 0 H GLU A 34 -6.979 -21.359 5.737 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.259 -20.831 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.358 -23.446 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.338 -22.289 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.492 -20.753 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.325 -22.277 7.413 1.00 0.00 H new ATOM 513 N ALA A 35 -4.915 -23.645 4.349 1.00 0.00 N ATOM 514 CA ALA A 35 -4.345 -24.632 3.440 1.00 0.00 C ATOM 515 C ALA A 35 -3.961 -23.995 2.109 1.00 0.00 C ATOM 516 O ALA A 35 -2.955 -24.362 1.501 1.00 0.00 O ATOM 517 CB ALA A 35 -5.326 -25.773 3.218 1.00 0.00 C ATOM 0 H ALA A 35 -5.902 -23.789 4.562 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.439 -25.030 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.887 -26.503 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.547 -26.253 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.247 -25.382 2.786 1.00 0.00 H new ATOM 523 N LYS A 36 -4.768 -23.041 1.660 1.00 0.00 N ATOM 524 CA LYS A 36 -4.513 -22.352 0.401 1.00 0.00 C ATOM 525 C LYS A 36 -3.181 -21.611 0.446 1.00 0.00 C ATOM 526 O LYS A 36 -2.439 -21.588 -0.537 1.00 0.00 O ATOM 527 CB LYS A 36 -5.646 -21.369 0.095 1.00 0.00 C ATOM 528 CG LYS A 36 -5.540 -20.727 -1.277 1.00 0.00 C ATOM 529 CD LYS A 36 -5.831 -21.727 -2.384 1.00 0.00 C ATOM 530 CE LYS A 36 -7.326 -21.904 -2.597 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.907 -20.796 -3.405 1.00 0.00 N ATOM 0 H LYS A 36 -5.606 -22.727 2.150 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.466 -23.100 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.599 -21.892 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.652 -20.586 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.239 -19.894 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.540 -20.315 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.368 -21.390 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.382 -22.688 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.511 -22.854 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.827 -21.950 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.706 -20.373 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.181 -20.071 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.241 -21.169 -4.316 1.00 0.00 H new ATOM 545 N ARG A 37 -2.883 -21.007 1.592 1.00 0.00 N ATOM 546 CA ARG A 37 -1.639 -20.266 1.764 1.00 0.00 C ATOM 547 C ARG A 37 -0.433 -21.193 1.645 1.00 0.00 C ATOM 548 O ARG A 37 0.557 -20.858 0.996 1.00 0.00 O ATOM 549 CB ARG A 37 -1.624 -19.563 3.122 1.00 0.00 C ATOM 550 CG ARG A 37 -2.369 -18.238 3.131 1.00 0.00 C ATOM 551 CD ARG A 37 -1.968 -17.381 4.321 1.00 0.00 C ATOM 552 NE ARG A 37 -2.776 -17.674 5.503 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.519 -18.673 6.339 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.482 -19.471 6.125 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.300 -18.875 7.393 1.00 0.00 N ATOM 0 H ARG A 37 -3.486 -21.016 2.415 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.579 -19.517 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.066 -20.223 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.590 -19.391 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.164 -17.698 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.443 -18.423 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.916 -17.549 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.074 -16.328 4.061 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.581 -17.079 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.879 -19.318 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.287 -20.238 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.098 -18.263 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.102 -19.643 8.035 1.00 0.00 H new ATOM 569 N GLU A 38 -0.524 -22.359 2.279 1.00 0.00 N ATOM 570 CA GLU A 38 0.561 -23.332 2.245 1.00 0.00 C ATOM 571 C GLU A 38 0.757 -23.879 0.834 1.00 0.00 C ATOM 572 O GLU A 38 1.882 -24.136 0.408 1.00 0.00 O ATOM 573 CB GLU A 38 0.275 -24.481 3.214 1.00 0.00 C ATOM 574 CG GLU A 38 0.740 -24.209 4.635 1.00 0.00 C ATOM 575 CD GLU A 38 0.305 -25.287 5.608 1.00 0.00 C ATOM 576 OE1 GLU A 38 -0.892 -25.643 5.604 1.00 0.00 O ATOM 577 OE2 GLU A 38 1.163 -25.776 6.373 1.00 0.00 O ATOM 0 H GLU A 38 -1.337 -22.652 2.821 1.00 0.00 H new ATOM 0 HA GLU A 38 1.477 -22.827 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.797 -24.679 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.763 -25.384 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.827 -24.130 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.346 -23.247 4.964 1.00 0.00 H new ATOM 584 N GLU A 39 -0.347 -24.056 0.115 1.00 0.00 N ATOM 585 CA GLU A 39 -0.297 -24.574 -1.247 1.00 0.00 C ATOM 586 C GLU A 39 0.414 -23.594 -2.176 1.00 0.00 C ATOM 587 O GLU A 39 1.275 -23.984 -2.964 1.00 0.00 O ATOM 588 CB GLU A 39 -1.710 -24.850 -1.764 1.00 0.00 C ATOM 589 CG GLU A 39 -1.755 -25.840 -2.916 1.00 0.00 C ATOM 590 CD GLU A 39 -1.405 -27.252 -2.485 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.208 -27.522 -2.256 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.329 -28.085 -2.377 1.00 0.00 O ATOM 0 H GLU A 39 -1.287 -23.848 0.453 1.00 0.00 H new ATOM 0 HA GLU A 39 0.265 -25.508 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.319 -25.231 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.160 -23.911 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.752 -25.835 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.062 -25.519 -3.694 1.00 0.00 H new ATOM 599 N ILE A 40 0.046 -22.321 -2.077 1.00 0.00 N ATOM 600 CA ILE A 40 0.648 -21.285 -2.907 1.00 0.00 C ATOM 601 C ILE A 40 2.082 -20.999 -2.475 1.00 0.00 C ATOM 602 O ILE A 40 2.921 -20.614 -3.289 1.00 0.00 O ATOM 603 CB ILE A 40 -0.164 -19.977 -2.852 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.277 -19.031 -3.971 1.00 0.00 C ATOM 605 CG2 ILE A 40 -0.004 -19.311 -1.494 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.624 -18.389 -3.724 1.00 0.00 C ATOM 0 H ILE A 40 -0.666 -21.982 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 40 0.648 -21.660 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.218 -20.214 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.314 -19.584 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.473 -18.249 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.584 -18.388 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.362 -19.984 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.048 -19.083 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.872 -17.732 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.587 -17.808 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.385 -19.164 -3.634 1.00 0.00 H new ATOM 618 N ALA A 41 2.356 -21.191 -1.189 1.00 0.00 N ATOM 619 CA ALA A 41 3.690 -20.958 -0.649 1.00 0.00 C ATOM 620 C ALA A 41 4.661 -22.044 -1.097 1.00 0.00 C ATOM 621 O ALA A 41 5.794 -21.757 -1.482 1.00 0.00 O ATOM 622 CB ALA A 41 3.639 -20.885 0.870 1.00 0.00 C ATOM 0 H ALA A 41 1.672 -21.507 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 41 4.050 -20.005 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.642 -20.711 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.985 -20.068 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.254 -21.824 1.267 1.00 0.00 H new ATOM 628 N ASN A 42 4.211 -23.294 -1.042 1.00 0.00 N ATOM 629 CA ASN A 42 5.041 -24.424 -1.441 1.00 0.00 C ATOM 630 C ASN A 42 5.491 -24.283 -2.892 1.00 0.00 C ATOM 631 O ASN A 42 6.619 -24.631 -3.239 1.00 0.00 O ATOM 632 CB ASN A 42 4.276 -25.736 -1.257 1.00 0.00 C ATOM 633 CG ASN A 42 4.419 -26.297 0.145 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.857 -27.433 0.329 1.00 0.00 O ATOM 635 ND2 ASN A 42 4.048 -25.501 1.141 1.00 0.00 N ATOM 0 H ASN A 42 3.276 -23.549 -0.725 1.00 0.00 H new ATOM 0 HA ASN A 42 5.926 -24.435 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.220 -25.571 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.639 -26.469 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.120 -25.824 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.691 -24.567 0.941 1.00 0.00 H new ATOM 642 N ALA A 43 4.600 -23.770 -3.735 1.00 0.00 N ATOM 643 CA ALA A 43 4.906 -23.581 -5.147 1.00 0.00 C ATOM 644 C ALA A 43 5.975 -22.510 -5.339 1.00 0.00 C ATOM 645 O ALA A 43 6.835 -22.628 -6.212 1.00 0.00 O ATOM 646 CB ALA A 43 3.645 -23.215 -5.915 1.00 0.00 C ATOM 0 H ALA A 43 3.661 -23.478 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 43 5.297 -24.520 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.888 -23.077 -6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.912 -24.015 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.230 -22.290 -5.514 1.00 0.00 H new ATOM 652 N CYS A 44 5.913 -21.467 -4.519 1.00 0.00 N ATOM 653 CA CYS A 44 6.875 -20.373 -4.600 1.00 0.00 C ATOM 654 C CYS A 44 8.290 -20.872 -4.323 1.00 0.00 C ATOM 655 O CYS A 44 9.241 -20.475 -4.994 1.00 0.00 O ATOM 656 CB CYS A 44 6.508 -19.269 -3.609 1.00 0.00 C ATOM 657 SG CYS A 44 5.052 -18.306 -4.082 1.00 0.00 S ATOM 0 H CYS A 44 5.207 -21.355 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 44 6.843 -19.968 -5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.332 -19.717 -2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.357 -18.594 -3.502 1.00 0.00 H new ATOM 0 HG CYS A 44 4.820 -17.398 -3.181 1.00 0.00 H new ATOM 663 N ASN A 45 8.420 -21.744 -3.328 1.00 0.00 N ATOM 664 CA ASN A 45 9.719 -22.296 -2.961 1.00 0.00 C ATOM 665 C ASN A 45 10.262 -23.194 -4.068 1.00 0.00 C ATOM 666 O ASN A 45 11.471 -23.269 -4.284 1.00 0.00 O ATOM 667 CB ASN A 45 9.610 -23.086 -1.655 1.00 0.00 C ATOM 668 CG ASN A 45 9.714 -22.197 -0.431 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.550 -21.296 -0.374 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.862 -22.448 0.556 1.00 0.00 N ATOM 0 H ASN A 45 7.642 -22.083 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 45 10.411 -21.466 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.659 -23.619 -1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.398 -23.839 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.884 -21.883 1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.185 -23.206 0.465 1.00 0.00 H new ATOM 677 N ALA A 46 9.358 -23.874 -4.767 1.00 0.00 N ATOM 678 CA ALA A 46 9.746 -24.765 -5.853 1.00 0.00 C ATOM 679 C ALA A 46 10.264 -23.977 -7.051 1.00 0.00 C ATOM 680 O ALA A 46 11.318 -24.291 -7.604 1.00 0.00 O ATOM 681 CB ALA A 46 8.570 -25.640 -6.263 1.00 0.00 C ATOM 0 H ALA A 46 8.353 -23.824 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 46 10.553 -25.404 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.874 -26.301 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.247 -26.238 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.746 -25.009 -6.597 1.00 0.00 H new ATOM 687 N VAL A 47 9.517 -22.952 -7.448 1.00 0.00 N ATOM 688 CA VAL A 47 9.901 -22.119 -8.581 1.00 0.00 C ATOM 689 C VAL A 47 11.273 -21.490 -8.360 1.00 0.00 C ATOM 690 O VAL A 47 12.029 -21.278 -9.308 1.00 0.00 O ATOM 691 CB VAL A 47 8.871 -21.001 -8.831 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.589 -21.577 -9.413 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.587 -20.241 -7.544 1.00 0.00 C ATOM 0 H VAL A 47 8.642 -22.678 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 47 9.938 -22.770 -9.454 1.00 0.00 H new ATOM 0 HB VAL A 47 9.289 -20.301 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.873 -20.773 -9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.809 -22.073 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.165 -22.299 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.857 -19.455 -7.739 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.190 -20.927 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.510 -19.795 -7.173 1.00 0.00 H new ATOM 703 N ILE A 48 11.587 -21.196 -7.103 1.00 0.00 N ATOM 704 CA ILE A 48 12.868 -20.593 -6.758 1.00 0.00 C ATOM 705 C ILE A 48 13.909 -21.660 -6.437 1.00 0.00 C ATOM 706 O ILE A 48 15.104 -21.462 -6.656 1.00 0.00 O ATOM 707 CB ILE A 48 12.737 -19.642 -5.553 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.361 -20.426 -4.295 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.702 -18.564 -5.841 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.251 -19.565 -3.056 1.00 0.00 C ATOM 0 H ILE A 48 10.972 -21.366 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 48 13.192 -20.022 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 48 13.699 -19.159 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.410 -20.931 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.107 -21.202 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.620 -17.899 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.008 -17.990 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.735 -19.030 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.981 -20.188 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.208 -19.080 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.484 -18.806 -3.208 1.00 0.00 H new ATOM 722 N GLN A 49 13.446 -22.793 -5.918 1.00 0.00 N ATOM 723 CA GLN A 49 14.338 -23.893 -5.568 1.00 0.00 C ATOM 724 C GLN A 49 15.178 -24.316 -6.769 1.00 0.00 C ATOM 725 O GLN A 49 14.645 -24.635 -7.831 1.00 0.00 O ATOM 726 CB GLN A 49 13.532 -25.085 -5.049 1.00 0.00 C ATOM 727 CG GLN A 49 14.367 -26.338 -4.840 1.00 0.00 C ATOM 728 CD GLN A 49 13.682 -27.353 -3.944 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.539 -27.740 -4.187 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.380 -27.788 -2.902 1.00 0.00 N ATOM 0 H GLN A 49 12.460 -22.973 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 49 15.009 -23.547 -4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.060 -24.811 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.730 -25.306 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.577 -26.796 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.327 -26.062 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.325 -27.439 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.972 -28.471 -2.264 1.00 0.00 H new ATOM 739 N LYS A 50 16.495 -24.315 -6.593 1.00 0.00 N ATOM 740 CA LYS A 50 17.410 -24.699 -7.661 1.00 0.00 C ATOM 741 C LYS A 50 17.929 -26.118 -7.448 1.00 0.00 C ATOM 742 O LYS A 50 18.018 -26.610 -6.323 1.00 0.00 O ATOM 743 CB LYS A 50 18.584 -23.721 -7.731 1.00 0.00 C ATOM 744 CG LYS A 50 18.164 -22.283 -7.979 1.00 0.00 C ATOM 745 CD LYS A 50 17.856 -21.559 -6.679 1.00 0.00 C ATOM 746 CE LYS A 50 19.128 -21.186 -5.934 1.00 0.00 C ATOM 747 NZ LYS A 50 18.860 -20.864 -4.505 1.00 0.00 N ATOM 0 H LYS A 50 16.953 -24.052 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 50 16.863 -24.668 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.144 -23.771 -6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.261 -24.035 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.958 -21.758 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.285 -22.266 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.280 -20.658 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.235 -22.193 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.839 -22.010 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.594 -20.328 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.752 -20.615 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.202 -20.061 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.439 -21.691 -4.036 1.00 0.00 H new ATOM 761 N PRO A 51 18.281 -26.792 -8.553 1.00 0.00 N ATOM 762 CA PRO A 51 18.800 -28.163 -8.513 1.00 0.00 C ATOM 763 C PRO A 51 20.196 -28.237 -7.904 1.00 0.00 C ATOM 764 O PRO A 51 21.101 -27.512 -8.313 1.00 0.00 O ATOM 765 CB PRO A 51 18.837 -28.571 -9.988 1.00 0.00 C ATOM 766 CG PRO A 51 18.957 -27.287 -10.733 1.00 0.00 C ATOM 767 CD PRO A 51 18.201 -26.267 -9.927 1.00 0.00 C ATOM 0 HA PRO A 51 18.185 -28.814 -7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.680 -29.229 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.934 -29.111 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 20.002 -26.998 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.541 -27.378 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.652 -25.278 -10.006 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.168 -26.175 -10.263 1.00 0.00 H new ATOM 775 N GLY A 52 20.363 -29.119 -6.924 1.00 0.00 N ATOM 776 CA GLY A 52 21.652 -29.272 -6.275 1.00 0.00 C ATOM 777 C GLY A 52 21.959 -28.134 -5.322 1.00 0.00 C ATOM 778 O GLY A 52 23.095 -27.980 -4.873 1.00 0.00 O ATOM 0 H GLY A 52 19.629 -29.731 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.671 -30.215 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.433 -29.328 -7.033 1.00 0.00 H new ATOM 782 N LYS A 53 20.946 -27.333 -5.013 1.00 0.00 N ATOM 783 CA LYS A 53 21.112 -26.202 -4.107 1.00 0.00 C ATOM 784 C LYS A 53 20.224 -26.356 -2.876 1.00 0.00 C ATOM 785 O LYS A 53 19.262 -27.124 -2.884 1.00 0.00 O ATOM 786 CB LYS A 53 20.782 -24.893 -4.827 1.00 0.00 C ATOM 787 CG LYS A 53 21.925 -24.358 -5.672 1.00 0.00 C ATOM 788 CD LYS A 53 23.050 -23.813 -4.807 1.00 0.00 C ATOM 789 CE LYS A 53 24.177 -23.243 -5.653 1.00 0.00 C ATOM 790 NZ LYS A 53 23.839 -21.898 -6.195 1.00 0.00 N ATOM 0 H LYS A 53 20.000 -27.446 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 53 22.152 -26.178 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.912 -25.048 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.505 -24.141 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.309 -25.153 -6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.556 -23.571 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.660 -23.037 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.438 -24.608 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.084 -23.175 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.392 -23.923 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.633 -21.544 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.989 -21.967 -6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.659 -21.242 -5.408 1.00 0.00 H new ATOM 804 N LYS A 54 20.553 -25.620 -1.820 1.00 0.00 N ATOM 805 CA LYS A 54 19.784 -25.672 -0.582 1.00 0.00 C ATOM 806 C LYS A 54 19.046 -24.358 -0.345 1.00 0.00 C ATOM 807 O LYS A 54 19.649 -23.284 -0.357 1.00 0.00 O ATOM 808 CB LYS A 54 20.706 -25.972 0.602 1.00 0.00 C ATOM 809 CG LYS A 54 19.974 -26.085 1.929 1.00 0.00 C ATOM 810 CD LYS A 54 20.876 -25.721 3.096 1.00 0.00 C ATOM 811 CE LYS A 54 21.923 -26.795 3.347 1.00 0.00 C ATOM 812 NZ LYS A 54 21.426 -27.848 4.277 1.00 0.00 N ATOM 0 H LYS A 54 21.347 -24.980 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 54 19.048 -26.471 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.239 -26.903 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.456 -25.185 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.104 -25.429 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.605 -27.103 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.370 -24.771 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 54 20.273 -25.582 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.208 -27.252 2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.820 -26.337 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.169 -28.561 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.177 -27.416 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.585 -28.303 3.869 1.00 0.00 H new ATOM 826 N LEU A 55 17.739 -24.450 -0.127 1.00 0.00 N ATOM 827 CA LEU A 55 16.918 -23.269 0.115 1.00 0.00 C ATOM 828 C LEU A 55 17.238 -22.652 1.473 1.00 0.00 C ATOM 829 O LEU A 55 17.507 -23.364 2.441 1.00 0.00 O ATOM 830 CB LEU A 55 15.434 -23.631 0.044 1.00 0.00 C ATOM 831 CG LEU A 55 14.797 -23.586 -1.346 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.332 -23.985 -1.275 1.00 0.00 C ATOM 833 CD2 LEU A 55 14.945 -22.199 -1.955 1.00 0.00 C ATOM 0 H LEU A 55 17.225 -25.331 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 55 17.144 -22.536 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.306 -24.635 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.884 -22.953 0.696 1.00 0.00 H new ATOM 0 HG LEU A 55 15.316 -24.300 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.896 -23.947 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.249 -24.998 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.799 -23.296 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.486 -22.185 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.452 -21.466 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.003 -21.951 -2.042 1.00 0.00 H new ATOM 845 N SER A 56 17.206 -21.325 1.537 1.00 0.00 N ATOM 846 CA SER A 56 17.495 -20.612 2.776 1.00 0.00 C ATOM 847 C SER A 56 16.231 -19.968 3.339 1.00 0.00 C ATOM 848 O SER A 56 15.278 -19.702 2.607 1.00 0.00 O ATOM 849 CB SER A 56 18.563 -19.543 2.537 1.00 0.00 C ATOM 850 OG SER A 56 19.861 -20.057 2.778 1.00 0.00 O ATOM 0 H SER A 56 16.983 -20.722 0.745 1.00 0.00 H new ATOM 0 HA SER A 56 17.870 -21.333 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.496 -19.181 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.380 -18.689 3.189 1.00 0.00 H new ATOM 0 HG SER A 56 20.526 -19.355 2.617 1.00 0.00 H new ATOM 856 N ASP A 57 16.232 -19.721 4.644 1.00 0.00 N ATOM 857 CA ASP A 57 15.088 -19.107 5.307 1.00 0.00 C ATOM 858 C ASP A 57 14.716 -17.787 4.638 1.00 0.00 C ATOM 859 O ASP A 57 13.573 -17.335 4.724 1.00 0.00 O ATOM 860 CB ASP A 57 15.393 -18.874 6.787 1.00 0.00 C ATOM 861 CG ASP A 57 14.503 -17.812 7.402 1.00 0.00 C ATOM 862 OD1 ASP A 57 14.778 -16.612 7.188 1.00 0.00 O ATOM 863 OD2 ASP A 57 13.532 -18.179 8.097 1.00 0.00 O ATOM 0 H ASP A 57 17.013 -19.937 5.264 1.00 0.00 H new ATOM 0 HA ASP A 57 14.242 -19.789 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.267 -19.809 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.436 -18.578 6.898 1.00 0.00 H new ATOM 868 N LEU A 58 15.688 -17.173 3.973 1.00 0.00 N ATOM 869 CA LEU A 58 15.464 -15.903 3.289 1.00 0.00 C ATOM 870 C LEU A 58 14.550 -16.088 2.082 1.00 0.00 C ATOM 871 O LEU A 58 13.785 -15.192 1.728 1.00 0.00 O ATOM 872 CB LEU A 58 16.797 -15.297 2.847 1.00 0.00 C ATOM 873 CG LEU A 58 17.646 -14.665 3.950 1.00 0.00 C ATOM 874 CD1 LEU A 58 17.016 -13.368 4.431 1.00 0.00 C ATOM 875 CD2 LEU A 58 17.824 -15.636 5.108 1.00 0.00 C ATOM 0 H LEU A 58 16.639 -17.533 3.892 1.00 0.00 H new ATOM 0 HA LEU A 58 14.977 -15.223 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.386 -16.077 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.595 -14.538 2.091 1.00 0.00 H new ATOM 0 HG LEU A 58 18.630 -14.436 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.634 -12.932 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.941 -12.669 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 58 16.020 -13.571 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.431 -15.169 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.848 -15.896 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.321 -16.539 4.753 1.00 0.00 H new ATOM 887 N GLU A 59 14.635 -17.258 1.456 1.00 0.00 N ATOM 888 CA GLU A 59 13.814 -17.561 0.290 1.00 0.00 C ATOM 889 C GLU A 59 12.652 -18.477 0.664 1.00 0.00 C ATOM 890 O GLU A 59 11.687 -18.612 -0.087 1.00 0.00 O ATOM 891 CB GLU A 59 14.662 -18.215 -0.802 1.00 0.00 C ATOM 892 CG GLU A 59 15.933 -17.448 -1.128 1.00 0.00 C ATOM 893 CD GLU A 59 16.389 -17.656 -2.559 1.00 0.00 C ATOM 894 OE1 GLU A 59 15.525 -17.693 -3.459 1.00 0.00 O ATOM 895 OE2 GLU A 59 17.613 -17.783 -2.778 1.00 0.00 O ATOM 0 H GLU A 59 15.264 -18.011 1.737 1.00 0.00 H new ATOM 0 HA GLU A 59 13.407 -16.623 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.927 -19.225 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.063 -18.310 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.766 -16.385 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.726 -17.761 -0.449 1.00 0.00 H new ATOM 902 N ARG A 60 12.755 -19.105 1.831 1.00 0.00 N ATOM 903 CA ARG A 60 11.714 -20.010 2.305 1.00 0.00 C ATOM 904 C ARG A 60 10.382 -19.281 2.446 1.00 0.00 C ATOM 905 O ARG A 60 10.206 -18.454 3.341 1.00 0.00 O ATOM 906 CB ARG A 60 12.116 -20.624 3.648 1.00 0.00 C ATOM 907 CG ARG A 60 11.432 -21.950 3.940 1.00 0.00 C ATOM 908 CD ARG A 60 12.301 -22.845 4.809 1.00 0.00 C ATOM 909 NE ARG A 60 11.528 -23.910 5.443 1.00 0.00 N ATOM 910 CZ ARG A 60 11.044 -24.958 4.785 1.00 0.00 C ATOM 911 NH1 ARG A 60 11.254 -25.081 3.482 1.00 0.00 N ATOM 912 NH2 ARG A 60 10.350 -25.886 5.432 1.00 0.00 N ATOM 0 H ARG A 60 13.548 -19.004 2.465 1.00 0.00 H new ATOM 0 HA ARG A 60 11.597 -20.806 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.196 -20.771 3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.880 -19.919 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.481 -21.768 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.207 -22.459 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.092 -23.284 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.787 -22.243 5.577 1.00 0.00 H new ATOM 0 HE ARG A 60 11.350 -23.846 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.788 -24.370 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.881 -25.886 2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.188 -25.795 6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.979 -26.690 4.926 1.00 0.00 H new ATOM 926 N VAL A 61 9.446 -19.592 1.554 1.00 0.00 N ATOM 927 CA VAL A 61 8.129 -18.967 1.579 1.00 0.00 C ATOM 928 C VAL A 61 7.144 -19.792 2.400 1.00 0.00 C ATOM 929 O VAL A 61 6.558 -20.755 1.904 1.00 0.00 O ATOM 930 CB VAL A 61 7.567 -18.784 0.156 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.176 -18.172 0.206 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.506 -17.928 -0.680 1.00 0.00 C ATOM 0 H VAL A 61 9.576 -20.273 0.806 1.00 0.00 H new ATOM 0 HA VAL A 61 8.253 -17.988 2.042 1.00 0.00 H new ATOM 0 HB VAL A 61 7.489 -19.764 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.795 -18.050 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.510 -18.827 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.224 -17.199 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.094 -17.809 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.617 -16.949 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.480 -18.412 -0.743 1.00 0.00 H new ATOM 942 N THR A 62 6.965 -19.408 3.660 1.00 0.00 N ATOM 943 CA THR A 62 6.052 -20.112 4.551 1.00 0.00 C ATOM 944 C THR A 62 4.628 -19.588 4.405 1.00 0.00 C ATOM 945 O THR A 62 4.396 -18.563 3.764 1.00 0.00 O ATOM 946 CB THR A 62 6.487 -19.977 6.023 1.00 0.00 C ATOM 947 OG1 THR A 62 6.427 -18.605 6.428 1.00 0.00 O ATOM 948 CG2 THR A 62 7.899 -20.508 6.220 1.00 0.00 C ATOM 0 H THR A 62 7.441 -18.613 4.086 1.00 0.00 H new ATOM 0 HA THR A 62 6.081 -21.164 4.266 1.00 0.00 H new ATOM 0 HB THR A 62 5.805 -20.566 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.703 -18.528 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.185 -20.402 7.267 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.935 -21.560 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.591 -19.942 5.596 1.00 0.00 H new ATOM 956 N SER A 63 3.676 -20.298 5.003 1.00 0.00 N ATOM 957 CA SER A 63 2.274 -19.906 4.936 1.00 0.00 C ATOM 958 C SER A 63 2.079 -18.492 5.474 1.00 0.00 C ATOM 959 O SER A 63 1.337 -17.693 4.899 1.00 0.00 O ATOM 960 CB SER A 63 1.409 -20.889 5.728 1.00 0.00 C ATOM 961 OG SER A 63 1.567 -20.696 7.123 1.00 0.00 O ATOM 0 H SER A 63 3.851 -21.148 5.539 1.00 0.00 H new ATOM 0 HA SER A 63 1.967 -19.924 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.362 -20.758 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.681 -21.911 5.466 1.00 0.00 H new ATOM 0 HG SER A 63 1.003 -21.334 7.608 1.00 0.00 H new ATOM 967 N LEU A 64 2.749 -18.188 6.579 1.00 0.00 N ATOM 968 CA LEU A 64 2.651 -16.870 7.196 1.00 0.00 C ATOM 969 C LEU A 64 3.183 -15.789 6.260 1.00 0.00 C ATOM 970 O LEU A 64 2.592 -14.717 6.134 1.00 0.00 O ATOM 971 CB LEU A 64 3.426 -16.844 8.515 1.00 0.00 C ATOM 972 CG LEU A 64 3.612 -15.468 9.157 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.266 -14.873 9.542 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.521 -15.566 10.373 1.00 0.00 C ATOM 0 H LEU A 64 3.367 -18.837 7.067 1.00 0.00 H new ATOM 0 HA LEU A 64 1.599 -16.667 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.912 -17.489 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.411 -17.279 8.343 1.00 0.00 H new ATOM 0 HG LEU A 64 4.083 -14.808 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.418 -13.894 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.647 -14.767 8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.768 -15.531 10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.642 -14.578 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.078 -16.241 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.495 -15.949 10.069 1.00 0.00 H new ATOM 986 N LYS A 65 4.301 -16.080 5.603 1.00 0.00 N ATOM 987 CA LYS A 65 4.911 -15.136 4.675 1.00 0.00 C ATOM 988 C LYS A 65 3.936 -14.759 3.564 1.00 0.00 C ATOM 989 O LYS A 65 3.874 -13.603 3.145 1.00 0.00 O ATOM 990 CB LYS A 65 6.183 -15.734 4.070 1.00 0.00 C ATOM 991 CG LYS A 65 7.412 -15.561 4.947 1.00 0.00 C ATOM 992 CD LYS A 65 8.671 -16.036 4.241 1.00 0.00 C ATOM 993 CE LYS A 65 9.844 -16.139 5.204 1.00 0.00 C ATOM 994 NZ LYS A 65 10.146 -14.833 5.852 1.00 0.00 N ATOM 0 H LYS A 65 4.803 -16.963 5.697 1.00 0.00 H new ATOM 0 HA LYS A 65 5.169 -14.234 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.024 -16.797 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.369 -15.268 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.521 -14.511 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.281 -16.119 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.488 -17.008 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.920 -15.346 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.621 -16.881 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.725 -16.490 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.929 -14.953 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.417 -14.140 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.303 -14.493 6.358 1.00 0.00 H new ATOM 1008 N VAL A 66 3.176 -15.741 3.090 1.00 0.00 N ATOM 1009 CA VAL A 66 2.203 -15.511 2.029 1.00 0.00 C ATOM 1010 C VAL A 66 1.114 -14.546 2.483 1.00 0.00 C ATOM 1011 O VAL A 66 0.691 -13.671 1.727 1.00 0.00 O ATOM 1012 CB VAL A 66 1.548 -16.829 1.573 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.367 -16.549 0.657 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.570 -17.720 0.882 1.00 0.00 C ATOM 0 H VAL A 66 3.215 -16.704 3.424 1.00 0.00 H new ATOM 0 HA VAL A 66 2.746 -15.074 1.191 1.00 0.00 H new ATOM 0 HB VAL A 66 1.178 -17.354 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.083 -17.492 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.373 -15.952 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.710 -16.002 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.091 -18.647 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.972 -17.204 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.381 -17.948 1.574 1.00 0.00 H new ATOM 1024 N TYR A 67 0.664 -14.710 3.722 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.378 -13.854 4.276 1.00 0.00 C ATOM 1026 C TYR A 67 0.108 -12.414 4.401 1.00 0.00 C ATOM 1027 O TYR A 67 -0.651 -11.470 4.186 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.820 -14.375 5.645 1.00 0.00 C ATOM 1029 CG TYR A 67 -2.050 -13.682 6.188 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.276 -13.794 5.545 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.985 -12.916 7.346 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.401 -13.162 6.037 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -3.105 -12.282 7.847 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.311 -12.408 7.188 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.430 -11.778 7.683 1.00 0.00 O ATOM 0 H TYR A 67 1.005 -15.428 4.362 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.228 -13.873 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.019 -15.444 5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.001 -14.251 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.351 -14.386 4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.042 -12.815 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.346 -13.258 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.037 -11.691 8.749 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.196 -11.289 8.500 1.00 0.00 H new ATOM 1045 N ASN A 68 1.381 -12.254 4.748 1.00 0.00 N ATOM 1046 CA ASN A 68 1.972 -10.929 4.901 1.00 0.00 C ATOM 1047 C ASN A 68 1.962 -10.173 3.576 1.00 0.00 C ATOM 1048 O ASN A 68 1.620 -8.992 3.526 1.00 0.00 O ATOM 1049 CB ASN A 68 3.404 -11.044 5.425 1.00 0.00 C ATOM 1050 CG ASN A 68 3.464 -11.086 6.940 1.00 0.00 C ATOM 1051 OD1 ASN A 68 3.102 -10.121 7.613 1.00 0.00 O ATOM 1052 ND2 ASN A 68 3.923 -12.207 7.483 1.00 0.00 N ATOM 0 H ASN A 68 2.023 -13.025 4.929 1.00 0.00 H new ATOM 0 HA ASN A 68 1.373 -10.372 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.865 -11.945 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.989 -10.198 5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.987 -12.294 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.212 -12.982 6.886 1.00 0.00 H new ATOM 1059 N TRP A 69 2.340 -10.863 2.505 1.00 0.00 N ATOM 1060 CA TRP A 69 2.374 -10.257 1.179 1.00 0.00 C ATOM 1061 C TRP A 69 0.966 -9.931 0.693 1.00 0.00 C ATOM 1062 O TRP A 69 0.725 -8.864 0.128 1.00 0.00 O ATOM 1063 CB TRP A 69 3.067 -11.191 0.186 1.00 0.00 C ATOM 1064 CG TRP A 69 3.153 -10.628 -1.200 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.231 -10.012 -1.768 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.119 -10.626 -2.190 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.930 -9.628 -3.053 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.641 -9.994 -3.336 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.805 -11.099 -2.222 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.892 -9.823 -4.497 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.063 -10.928 -3.375 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.608 -10.295 -4.500 1.00 0.00 C ATOM 0 H TRP A 69 2.627 -11.842 2.529 1.00 0.00 H new ATOM 0 HA TRP A 69 2.939 -9.327 1.246 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.073 -11.409 0.545 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.528 -12.138 0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.181 -9.850 -1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.564 -9.148 -3.692 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.377 -11.590 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.310 -9.335 -5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.954 -11.288 -3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.003 -10.177 -5.387 1.00 0.00 H new ATOM 1083 N PHE A 70 0.039 -10.857 0.915 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.345 -10.669 0.498 1.00 0.00 C ATOM 1085 C PHE A 70 -1.990 -9.513 1.258 1.00 0.00 C ATOM 1086 O PHE A 70 -2.774 -8.748 0.697 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.148 -11.952 0.723 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.129 -12.885 -0.454 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.948 -13.482 -0.863 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.294 -13.163 -1.152 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.928 -14.341 -1.946 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.280 -14.021 -2.235 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.095 -14.610 -2.634 1.00 0.00 C ATOM 0 H PHE A 70 0.222 -11.745 1.382 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.347 -10.429 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.751 -12.472 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.181 -11.689 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.032 -13.274 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.223 -12.704 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.001 -14.801 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.195 -14.231 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.082 -15.279 -3.482 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.652 -9.393 2.538 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.196 -8.331 3.375 1.00 0.00 C ATOM 1105 C ALA A 71 -1.804 -6.957 2.841 1.00 0.00 C ATOM 1106 O ALA A 71 -2.594 -6.015 2.888 1.00 0.00 O ATOM 1107 CB ALA A 71 -1.722 -8.496 4.811 1.00 0.00 C ATOM 0 H ALA A 71 -1.004 -10.018 3.018 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.283 -8.405 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.136 -7.696 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.057 -9.459 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.633 -8.451 4.842 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.580 -6.851 2.336 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.083 -5.591 1.795 1.00 0.00 C ATOM 1115 C ASN A 72 -0.888 -5.170 0.569 1.00 0.00 C ATOM 1116 O ASN A 72 -1.114 -3.981 0.340 1.00 0.00 O ATOM 1117 CB ASN A 72 1.397 -5.717 1.427 1.00 0.00 C ATOM 1118 CG ASN A 72 2.109 -4.378 1.425 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.917 -3.562 0.524 1.00 0.00 O ATOM 1120 ND2 ASN A 72 2.936 -4.147 2.438 1.00 0.00 N ATOM 0 H ASN A 72 0.086 -7.622 2.290 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.196 -4.826 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.889 -6.386 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.486 -6.174 0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.443 -3.264 2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.064 -4.853 3.163 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.320 -6.153 -0.215 1.00 0.00 N ATOM 1128 CA ARG A 73 -2.099 -5.885 -1.417 1.00 0.00 C ATOM 1129 C ARG A 73 -3.531 -5.496 -1.061 1.00 0.00 C ATOM 1130 O ARG A 73 -4.076 -4.533 -1.601 1.00 0.00 O ATOM 1131 CB ARG A 73 -2.105 -7.111 -2.331 1.00 0.00 C ATOM 1132 CG ARG A 73 -3.009 -6.963 -3.544 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.500 -5.886 -4.490 1.00 0.00 C ATOM 1134 NE ARG A 73 -2.782 -4.543 -3.992 1.00 0.00 N ATOM 1135 CZ ARG A 73 -2.164 -3.452 -4.431 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.236 -3.545 -5.373 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -2.476 -2.264 -3.929 1.00 0.00 N ATOM 0 H ARG A 73 -1.143 -7.142 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.634 -5.051 -1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.087 -7.307 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.423 -7.981 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.069 -7.914 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.019 -6.715 -3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.425 -6.003 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.963 -6.015 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.492 -4.437 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.995 -4.456 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.763 -2.705 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.191 -2.188 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.001 -1.427 -4.267 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.135 -6.251 -0.149 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.503 -5.987 0.278 1.00 0.00 C ATOM 1153 C ARG A 74 -5.590 -4.668 1.040 1.00 0.00 C ATOM 1154 O ARG A 74 -6.540 -3.903 0.873 1.00 0.00 O ATOM 1155 CB ARG A 74 -6.016 -7.130 1.155 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.936 -8.494 0.487 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.031 -9.423 0.985 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.894 -9.718 2.409 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.118 -10.683 2.889 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.413 -11.443 2.062 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -6.045 -10.889 4.197 1.00 0.00 N ATOM 0 H ARG A 74 -3.698 -7.051 0.308 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.127 -5.914 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.440 -7.154 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.052 -6.929 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.020 -8.377 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.961 -8.940 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.004 -8.967 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.003 -10.353 0.418 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.424 -9.151 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.466 -11.287 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.818 -12.184 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.585 -10.306 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.449 -11.631 4.564 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.592 -4.409 1.878 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.554 -3.183 2.667 1.00 0.00 C ATOM 1177 C LYS A 75 -4.294 -1.972 1.777 1.00 0.00 C ATOM 1178 O LYS A 75 -4.819 -0.886 2.023 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.472 -3.279 3.745 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.085 -2.904 3.250 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.018 -3.230 4.282 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.120 -2.319 5.495 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.440 -1.014 5.268 1.00 0.00 N ATOM 0 H LYS A 75 -3.798 -5.032 2.028 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.525 -3.058 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.740 -2.627 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.447 -4.297 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.872 -3.437 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.056 -1.839 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.119 -4.269 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.031 -3.128 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.170 -2.145 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.677 -2.814 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.532 -0.422 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.567 -1.178 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.879 -0.530 4.459 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.482 -2.166 0.743 1.00 0.00 N ATOM 1198 CA GLU A 76 -3.154 -1.088 -0.183 1.00 0.00 C ATOM 1199 C GLU A 76 -4.376 -0.683 -1.001 1.00 0.00 C ATOM 1200 O GLU A 76 -4.573 0.496 -1.300 1.00 0.00 O ATOM 1201 CB GLU A 76 -2.020 -1.517 -1.118 1.00 0.00 C ATOM 1202 CG GLU A 76 -0.634 -1.253 -0.554 1.00 0.00 C ATOM 1203 CD GLU A 76 -0.160 0.164 -0.812 1.00 0.00 C ATOM 1204 OE1 GLU A 76 -0.565 0.747 -1.839 1.00 0.00 O ATOM 1205 OE2 GLU A 76 0.616 0.690 0.013 1.00 0.00 O ATOM 0 H GLU A 76 -3.039 -3.059 0.525 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.828 -0.228 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.120 -2.581 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.124 -0.990 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.641 -1.440 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.074 -1.955 -0.995 1.00 0.00 H new ATOM 1212 N ILE A 77 -5.194 -1.667 -1.359 1.00 0.00 N ATOM 1213 CA ILE A 77 -6.397 -1.413 -2.142 1.00 0.00 C ATOM 1214 C ILE A 77 -7.527 -0.894 -1.259 1.00 0.00 C ATOM 1215 O ILE A 77 -8.250 0.029 -1.635 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.872 -2.683 -2.872 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -7.127 -3.809 -1.869 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.846 -3.112 -3.910 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.629 -5.085 -2.508 1.00 0.00 C ATOM 0 H ILE A 77 -5.046 -2.647 -1.119 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.139 -0.655 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.808 -2.461 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.203 -4.021 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.855 -3.470 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.196 -4.011 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.710 -2.313 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.896 -3.320 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.788 -5.840 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.569 -4.888 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.892 -5.448 -3.224 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.674 -1.493 -0.082 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.714 -1.091 0.857 1.00 0.00 C ATOM 1233 C LYS A 78 -8.427 0.294 1.427 1.00 0.00 C ATOM 1234 O LYS A 78 -9.340 1.095 1.626 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.824 -2.109 1.995 1.00 0.00 C ATOM 1236 CG LYS A 78 -7.721 -1.983 3.032 1.00 0.00 C ATOM 1237 CD LYS A 78 -8.083 -0.978 4.111 1.00 0.00 C ATOM 1238 CE LYS A 78 -7.412 -1.314 5.434 1.00 0.00 C ATOM 1239 NZ LYS A 78 -8.005 -0.551 6.567 1.00 0.00 N ATOM 0 H LYS A 78 -7.085 -2.259 0.244 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.660 -1.054 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.789 -1.989 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.803 -3.115 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.535 -2.956 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.795 -1.677 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.784 0.021 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.165 -0.960 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.506 -2.383 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.346 -1.094 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.520 -0.808 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.893 0.469 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.016 -0.780 6.648 1.00 0.00 H new ATOM 1253 N ARG A 79 -7.153 0.571 1.684 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.746 1.860 2.230 1.00 0.00 C ATOM 1255 C ARG A 79 -7.217 3.002 1.335 1.00 0.00 C ATOM 1256 O ARG A 79 -7.557 4.083 1.818 1.00 0.00 O ATOM 1257 CB ARG A 79 -5.225 1.914 2.387 1.00 0.00 C ATOM 1258 CG ARG A 79 -4.735 1.428 3.741 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.239 1.648 3.904 1.00 0.00 C ATOM 1260 NE ARG A 79 -2.868 1.871 5.299 1.00 0.00 N ATOM 1261 CZ ARG A 79 -3.294 2.904 6.017 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -4.103 3.804 5.475 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -2.912 3.039 7.281 1.00 0.00 N ATOM 0 H ARG A 79 -6.385 -0.080 1.523 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.210 1.974 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.766 1.309 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.889 2.940 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.269 1.953 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.962 0.368 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.701 0.781 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.931 2.505 3.305 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.248 1.196 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.400 3.704 4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.429 4.596 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.290 2.349 7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.240 3.833 7.831 1.00 0.00 H new ATOM 1277 N ARG A 80 -7.233 2.756 0.029 1.00 0.00 N ATOM 1278 CA ARG A 80 -7.660 3.764 -0.933 1.00 0.00 C ATOM 1279 C ARG A 80 -9.182 3.802 -1.042 1.00 0.00 C ATOM 1280 O ARG A 80 -9.751 4.740 -1.600 1.00 0.00 O ATOM 1281 CB ARG A 80 -7.047 3.481 -2.306 1.00 0.00 C ATOM 1282 CG ARG A 80 -6.989 4.702 -3.210 1.00 0.00 C ATOM 1283 CD ARG A 80 -7.069 4.312 -4.678 1.00 0.00 C ATOM 1284 NE ARG A 80 -6.436 5.304 -5.543 1.00 0.00 N ATOM 1285 CZ ARG A 80 -6.677 5.403 -6.846 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -7.532 4.576 -7.430 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -6.062 6.332 -7.566 1.00 0.00 N ATOM 0 H ARG A 80 -6.955 1.867 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.314 4.736 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.038 3.091 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.627 2.701 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.810 5.376 -2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.063 5.248 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.588 3.345 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.114 4.194 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.773 5.956 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.007 3.861 -6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.715 4.654 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -5.404 6.971 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.247 6.408 -8.566 1.00 0.00 H new ATOM 1301 N ALA A 81 -9.834 2.775 -0.506 1.00 0.00 N ATOM 1302 CA ALA A 81 -11.289 2.692 -0.542 1.00 0.00 C ATOM 1303 C ALA A 81 -11.901 3.230 0.747 1.00 0.00 C ATOM 1304 O ALA A 81 -13.116 3.396 0.846 1.00 0.00 O ATOM 1305 CB ALA A 81 -11.729 1.255 -0.778 1.00 0.00 C ATOM 0 H ALA A 81 -9.378 1.990 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.644 3.309 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.818 1.207 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.329 0.903 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.356 0.623 0.028 1.00 0.00 H new ATOM 1311 N ASN A 82 -11.051 3.499 1.733 1.00 0.00 N ATOM 1312 CA ASN A 82 -11.510 4.017 3.017 1.00 0.00 C ATOM 1313 C ASN A 82 -10.789 5.315 3.369 1.00 0.00 C ATOM 1314 O ASN A 82 -11.354 6.195 4.018 1.00 0.00 O ATOM 1315 CB ASN A 82 -11.284 2.980 4.119 1.00 0.00 C ATOM 1316 CG ASN A 82 -12.301 3.095 5.238 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -13.486 3.320 4.994 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -11.841 2.940 6.474 1.00 0.00 N ATOM 0 H ASN A 82 -10.042 3.367 1.668 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.577 4.225 2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.333 1.980 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.281 3.102 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.479 3.006 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.850 2.755 6.630 1.00 0.00 H new ATOM 1325 N ILE A 83 -9.537 5.426 2.936 1.00 0.00 N ATOM 1326 CA ILE A 83 -8.740 6.616 3.204 1.00 0.00 C ATOM 1327 C ILE A 83 -9.140 7.260 4.527 1.00 0.00 C ATOM 1328 O ILE A 83 -9.386 8.464 4.593 1.00 0.00 O ATOM 1329 CB ILE A 83 -8.882 7.655 2.076 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -8.904 6.960 0.713 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -7.749 8.668 2.142 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -10.294 6.585 0.247 1.00 0.00 C ATOM 0 H ILE A 83 -9.054 4.706 2.399 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.701 6.293 3.260 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.825 8.186 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.446 7.616 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.291 6.060 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.864 9.395 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.776 9.182 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.794 8.154 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.232 6.097 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.748 5.904 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.905 7.484 0.164 1.00 0.00 H new ATOM 1344 N ALA A 84 -9.202 6.450 5.578 1.00 0.00 N ATOM 1345 CA ALA A 84 -9.568 6.941 6.901 1.00 0.00 C ATOM 1346 C ALA A 84 -8.392 7.642 7.572 1.00 0.00 C ATOM 1347 O ALA A 84 -8.073 7.370 8.728 1.00 0.00 O ATOM 1348 CB ALA A 84 -10.068 5.796 7.769 1.00 0.00 C ATOM 0 H ALA A 84 -9.003 5.450 5.539 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.370 7.669 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.338 6.177 8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.943 5.342 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.282 5.048 7.872 1.00 0.00 H new ATOM 1354 N ALA A 85 -7.750 8.545 6.837 1.00 0.00 N ATOM 1355 CA ALA A 85 -6.610 9.285 7.362 1.00 0.00 C ATOM 1356 C ALA A 85 -6.337 10.535 6.532 1.00 0.00 C ATOM 1357 O ALA A 85 -6.192 10.461 5.311 1.00 0.00 O ATOM 1358 CB ALA A 85 -5.376 8.396 7.402 1.00 0.00 C ATOM 0 H ALA A 85 -8.000 8.781 5.877 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.850 9.600 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.532 8.962 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.568 7.536 8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.143 8.052 6.394 1.00 0.00 H new ATOM 1364 N ILE A 86 -6.270 11.681 7.200 1.00 0.00 N ATOM 1365 CA ILE A 86 -6.015 12.946 6.523 1.00 0.00 C ATOM 1366 C ILE A 86 -4.659 12.932 5.826 1.00 0.00 C ATOM 1367 O ILE A 86 -4.517 13.434 4.710 1.00 0.00 O ATOM 1368 CB ILE A 86 -6.062 14.131 7.506 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -7.432 14.207 8.182 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -5.749 15.432 6.783 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -7.530 13.381 9.446 1.00 0.00 C ATOM 0 H ILE A 86 -6.389 11.760 8.210 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.802 13.070 5.780 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.306 13.975 8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.653 15.247 8.420 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.194 13.872 7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.786 16.260 7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.753 15.374 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.483 15.596 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.529 13.483 9.871 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.341 12.333 9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.791 13.731 10.167 1.00 0.00 H new ATOM 1383 N LEU A 87 -3.664 12.354 6.490 1.00 0.00 N ATOM 1384 CA LEU A 87 -2.318 12.272 5.933 1.00 0.00 C ATOM 1385 C LEU A 87 -2.364 11.992 4.434 1.00 0.00 C ATOM 1386 O LEU A 87 -3.106 11.122 3.979 1.00 0.00 O ATOM 1387 CB LEU A 87 -1.517 11.180 6.643 1.00 0.00 C ATOM 1388 CG LEU A 87 -0.745 11.616 7.889 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -1.608 11.467 9.132 1.00 0.00 C ATOM 1390 CD2 LEU A 87 0.539 10.811 8.029 1.00 0.00 C ATOM 0 H LEU A 87 -3.764 11.935 7.415 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.828 13.233 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.202 10.381 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.809 10.756 5.931 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.481 12.668 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.041 11.782 10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.499 12.088 9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.904 10.424 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.076 11.134 8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.297 9.752 8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.165 10.970 7.151 1.00 0.00 H new ATOM 1402 N GLU A 88 -1.565 12.734 3.674 1.00 0.00 N ATOM 1403 CA GLU A 88 -1.515 12.563 2.226 1.00 0.00 C ATOM 1404 C GLU A 88 -0.276 11.774 1.815 1.00 0.00 C ATOM 1405 O GLU A 88 0.753 11.816 2.489 1.00 0.00 O ATOM 1406 CB GLU A 88 -1.521 13.925 1.530 1.00 0.00 C ATOM 1407 CG GLU A 88 -1.901 13.856 0.060 1.00 0.00 C ATOM 1408 CD GLU A 88 -3.250 13.200 -0.163 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -4.280 13.869 0.065 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -3.276 12.018 -0.566 1.00 0.00 O ATOM 0 H GLU A 88 -0.944 13.458 4.036 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.399 12.003 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.219 14.584 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.532 14.374 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.918 14.864 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.137 13.301 -0.483 1.00 0.00 H new ATOM 1417 N SER A 89 -0.383 11.054 0.702 1.00 0.00 N ATOM 1418 CA SER A 89 0.727 10.251 0.202 1.00 0.00 C ATOM 1419 C SER A 89 0.423 9.713 -1.193 1.00 0.00 C ATOM 1420 O SER A 89 -0.559 8.998 -1.394 1.00 0.00 O ATOM 1421 CB SER A 89 1.016 9.091 1.156 1.00 0.00 C ATOM 1422 OG SER A 89 2.342 8.617 0.997 1.00 0.00 O ATOM 0 H SER A 89 -1.226 11.011 0.130 1.00 0.00 H new ATOM 0 HA SER A 89 1.608 10.891 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.864 9.416 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.312 8.280 0.971 1.00 0.00 H new ATOM 0 HG SER A 89 2.502 7.877 1.619 1.00 0.00 H new ATOM 1428 N SER A 90 1.272 10.064 -2.154 1.00 0.00 N ATOM 1429 CA SER A 90 1.093 9.621 -3.532 1.00 0.00 C ATOM 1430 C SER A 90 1.222 8.104 -3.635 1.00 0.00 C ATOM 1431 O SER A 90 2.127 7.506 -3.056 1.00 0.00 O ATOM 1432 CB SER A 90 2.119 10.295 -4.444 1.00 0.00 C ATOM 1433 OG SER A 90 1.642 10.377 -5.776 1.00 0.00 O ATOM 0 H SER A 90 2.091 10.654 -2.004 1.00 0.00 H new ATOM 0 HA SER A 90 0.091 9.906 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.340 11.295 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.053 9.734 -4.423 1.00 0.00 H new ATOM 0 HG SER A 90 2.316 10.813 -6.338 1.00 0.00 H new ATOM 1439 N GLY A 91 0.308 7.488 -4.379 1.00 0.00 N ATOM 1440 CA GLY A 91 0.336 6.046 -4.546 1.00 0.00 C ATOM 1441 C GLY A 91 -0.870 5.527 -5.303 1.00 0.00 C ATOM 1442 O GLY A 91 -1.814 4.994 -4.719 1.00 0.00 O ATOM 0 H GLY A 91 -0.451 7.961 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.244 5.762 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.378 5.571 -3.566 1.00 0.00 H new ATOM 1446 N PRO A 92 -0.849 5.682 -6.635 1.00 0.00 N ATOM 1447 CA PRO A 92 -1.942 5.231 -7.502 1.00 0.00 C ATOM 1448 C PRO A 92 -2.030 3.711 -7.582 1.00 0.00 C ATOM 1449 O PRO A 92 -1.013 3.026 -7.685 1.00 0.00 O ATOM 1450 CB PRO A 92 -1.577 5.818 -8.867 1.00 0.00 C ATOM 1451 CG PRO A 92 -0.097 5.982 -8.826 1.00 0.00 C ATOM 1452 CD PRO A 92 0.244 6.308 -7.398 1.00 0.00 C ATOM 0 HA PRO A 92 -2.915 5.552 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.879 5.154 -9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.076 6.772 -9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.406 5.070 -9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.226 6.779 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.215 5.903 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.286 7.384 -7.230 1.00 0.00 H new ATOM 1460 N SER A 93 -3.252 3.190 -7.533 1.00 0.00 N ATOM 1461 CA SER A 93 -3.472 1.750 -7.597 1.00 0.00 C ATOM 1462 C SER A 93 -4.349 1.387 -8.791 1.00 0.00 C ATOM 1463 O SER A 93 -4.040 0.464 -9.544 1.00 0.00 O ATOM 1464 CB SER A 93 -4.121 1.254 -6.303 1.00 0.00 C ATOM 1465 OG SER A 93 -3.142 0.974 -5.317 1.00 0.00 O ATOM 0 H SER A 93 -4.105 3.744 -7.449 1.00 0.00 H new ATOM 0 HA SER A 93 -2.504 1.264 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.814 2.007 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.705 0.356 -6.506 1.00 0.00 H new ATOM 0 HG SER A 93 -3.582 0.660 -4.499 1.00 0.00 H new ATOM 1471 N SER A 94 -5.446 2.120 -8.956 1.00 0.00 N ATOM 1472 CA SER A 94 -6.371 1.873 -10.055 1.00 0.00 C ATOM 1473 C SER A 94 -6.701 3.170 -10.788 1.00 0.00 C ATOM 1474 O SER A 94 -7.388 4.040 -10.255 1.00 0.00 O ATOM 1475 CB SER A 94 -7.657 1.228 -9.533 1.00 0.00 C ATOM 1476 OG SER A 94 -7.486 -0.166 -9.343 1.00 0.00 O ATOM 0 H SER A 94 -5.715 2.889 -8.343 1.00 0.00 H new ATOM 0 HA SER A 94 -5.890 1.191 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.945 1.694 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.469 1.405 -10.238 1.00 0.00 H new ATOM 0 HG SER A 94 -8.320 -0.555 -9.008 1.00 0.00 H new ATOM 1482 N GLY A 95 -6.206 3.291 -12.016 1.00 0.00 N ATOM 1483 CA GLY A 95 -6.458 4.484 -12.804 1.00 0.00 C ATOM 1484 C GLY A 95 -7.658 4.333 -13.717 1.00 0.00 C ATOM 1485 O GLY A 95 -7.790 3.330 -14.420 1.00 0.00 O ATOM 0 H GLY A 95 -5.635 2.584 -12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.618 5.330 -12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.576 4.713 -13.403 1.00 0.00 H new TER 1489 GLY A 95