USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot -162:sc= 0.792 USER MOD Set 1.2: C 1 LYS N :NH3+ -161:sc= -0.181 (180deg=-0.597) USER MOD Set 1.3: C 2 ASN : amide:sc= -3.94! C(o=-3.3!,f=-9.8!) USER MOD Set 2.1: A 20 SER OG : rot -158:sc= 0.961 USER MOD Set 2.2: B 1 LYS N :NH3+ -161:sc= -0.149 (180deg=-0.565) USER MOD Set 2.3: B 2 ASN : amide:sc= -3.1! C(o=-2.3!,f=-10!) USER MOD Set 3.1: A 1 LYS N :NH3+ -162:sc= -0.109 (180deg=-0.499) USER MOD Set 3.2: A 2 ASN : amide:sc= -3.03! C(o=-2.5!,f=-10!) USER MOD Set 3.3: C 20 SER OG : rot -162:sc= 0.676 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 71:sc= 0.0113 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -86:sc= 1.26 USER MOD Single : A 19 SER OG : rot -68:sc= 0.188 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 70:sc= 0.0193 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot -98:sc= 1.19 USER MOD Single : B 19 SER OG : rot -72:sc= 0.227 USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 THR OG1 : rot 74:sc= 0.0147 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot -92:sc= 1.23 USER MOD Single : C 19 SER OG : rot -72:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.955 4.250 15.662 1.00 0.00 N ATOM 2 CA LYS A 1 -8.110 5.110 15.399 1.00 0.00 C ATOM 3 C LYS A 1 -7.664 6.487 14.937 1.00 0.00 C ATOM 4 O LYS A 1 -8.461 7.426 14.881 1.00 0.00 O ATOM 5 CB LYS A 1 -8.963 5.240 16.656 1.00 0.00 C ATOM 6 CG LYS A 1 -9.550 3.871 17.015 1.00 0.00 C ATOM 7 CD LYS A 1 -10.483 4.000 18.225 1.00 0.00 C ATOM 8 CE LYS A 1 -9.664 4.249 19.497 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.543 4.104 20.686 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.259 3.255 15.676 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.702 4.653 14.606 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.359 5.617 17.481 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.765 5.960 16.492 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.099 3.467 16.164 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.747 3.169 17.238 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.184 4.820 18.068 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.075 3.092 18.336 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.837 3.542 19.554 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.228 5.248 19.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.989 4.273 21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.318 4.795 20.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.938 3.142 20.710 1.00 0.00 H new ATOM 23 N ASN A 2 -6.382 6.603 14.628 1.00 0.00 N ATOM 24 CA ASN A 2 -5.833 7.871 14.189 1.00 0.00 C ATOM 25 C ASN A 2 -6.510 8.348 12.899 1.00 0.00 C ATOM 26 O ASN A 2 -7.017 7.537 12.121 1.00 0.00 O ATOM 27 CB ASN A 2 -4.324 7.755 13.957 1.00 0.00 C ATOM 28 CG ASN A 2 -4.025 6.515 13.132 1.00 0.00 C ATOM 29 OD1 ASN A 2 -3.190 5.707 13.523 1.00 0.00 O ATOM 30 ND2 ASN A 2 -4.661 6.314 12.008 1.00 0.00 N ATOM 0 H ASN A 2 -5.708 5.839 14.673 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.022 8.600 14.977 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.956 8.643 13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.803 7.702 14.913 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.463 5.482 11.452 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.355 6.989 11.687 1.00 0.00 H new ATOM 37 N PRO A 3 -6.515 9.637 12.646 1.00 0.00 N ATOM 38 CA PRO A 3 -7.126 10.213 11.407 1.00 0.00 C ATOM 39 C PRO A 3 -6.545 9.581 10.135 1.00 0.00 C ATOM 40 O PRO A 3 -7.187 9.573 9.084 1.00 0.00 O ATOM 41 CB PRO A 3 -6.766 11.706 11.488 1.00 0.00 C ATOM 42 CG PRO A 3 -6.532 11.974 12.935 1.00 0.00 C ATOM 43 CD PRO A 3 -5.953 10.697 13.513 1.00 0.00 C ATOM 0 HA PRO A 3 -8.199 10.030 11.353 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.877 11.929 10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.572 12.327 11.098 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.845 12.809 13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.462 12.242 13.437 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.863 10.702 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.245 10.560 14.554 1.00 0.00 H new ATOM 51 N GLU A 4 -5.331 9.060 10.244 1.00 0.00 N ATOM 52 CA GLU A 4 -4.667 8.431 9.104 1.00 0.00 C ATOM 53 C GLU A 4 -5.464 7.219 8.628 1.00 0.00 C ATOM 54 O GLU A 4 -5.198 6.661 7.560 1.00 0.00 O ATOM 55 CB GLU A 4 -3.250 8.002 9.486 1.00 0.00 C ATOM 56 CG GLU A 4 -2.387 9.240 9.727 1.00 0.00 C ATOM 57 CD GLU A 4 -0.994 8.822 10.185 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.769 7.630 10.321 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.173 9.699 10.395 1.00 0.00 O ATOM 0 H GLU A 4 -4.785 9.059 11.106 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.611 9.158 8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.276 7.384 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.817 7.393 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.317 9.829 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.851 9.876 10.481 1.00 0.00 H new ATOM 66 N ALA A 5 -6.438 6.807 9.433 1.00 0.00 N ATOM 67 CA ALA A 5 -7.262 5.654 9.093 1.00 0.00 C ATOM 68 C ALA A 5 -7.946 5.877 7.746 1.00 0.00 C ATOM 69 O ALA A 5 -8.233 4.923 7.022 1.00 0.00 O ATOM 70 CB ALA A 5 -8.322 5.431 10.174 1.00 0.00 C ATOM 0 H ALA A 5 -6.675 7.252 10.320 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.622 4.774 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.933 4.567 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.833 5.252 11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.956 6.314 10.250 1.00 0.00 H new ATOM 76 N GLU A 6 -8.198 7.138 7.409 1.00 0.00 N ATOM 77 CA GLU A 6 -8.839 7.464 6.139 1.00 0.00 C ATOM 78 C GLU A 6 -7.966 7.011 4.969 1.00 0.00 C ATOM 79 O GLU A 6 -8.463 6.476 3.980 1.00 0.00 O ATOM 80 CB GLU A 6 -9.075 8.972 6.048 1.00 0.00 C ATOM 81 CG GLU A 6 -10.156 9.379 7.049 1.00 0.00 C ATOM 82 CD GLU A 6 -10.351 10.892 7.021 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.243 11.367 7.703 1.00 0.00 O ATOM 84 OE2 GLU A 6 -9.602 11.552 6.320 1.00 0.00 O ATOM 0 H GLU A 6 -7.971 7.944 7.991 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.795 6.943 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.150 9.509 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.380 9.243 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.094 8.879 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.873 9.059 8.052 1.00 0.00 H new ATOM 91 N GLU A 7 -6.660 7.218 5.099 1.00 0.00 N ATOM 92 CA GLU A 7 -5.726 6.812 4.057 1.00 0.00 C ATOM 93 C GLU A 7 -5.709 5.295 3.918 1.00 0.00 C ATOM 94 O GLU A 7 -5.581 4.760 2.818 1.00 0.00 O ATOM 95 CB GLU A 7 -4.317 7.318 4.385 1.00 0.00 C ATOM 96 CG GLU A 7 -4.285 8.845 4.293 1.00 0.00 C ATOM 97 CD GLU A 7 -4.497 9.288 2.845 1.00 0.00 C ATOM 98 OE1 GLU A 7 -4.272 8.478 1.956 1.00 0.00 O ATOM 99 OE2 GLU A 7 -4.883 10.427 2.646 1.00 0.00 O ATOM 0 H GLU A 7 -6.227 7.661 5.909 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.052 7.248 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.029 6.998 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.594 6.887 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.060 9.272 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.329 9.219 4.660 1.00 0.00 H new ATOM 106 N ILE A 8 -5.835 4.605 5.044 1.00 0.00 N ATOM 107 CA ILE A 8 -5.823 3.140 5.042 1.00 0.00 C ATOM 108 C ILE A 8 -7.007 2.614 4.237 1.00 0.00 C ATOM 109 O ILE A 8 -6.867 1.680 3.451 1.00 0.00 O ATOM 110 CB ILE A 8 -5.907 2.621 6.476 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.802 3.275 7.317 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.716 1.103 6.482 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.435 3.090 6.656 1.00 0.00 C ATOM 0 H ILE A 8 -5.946 5.028 5.966 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.896 2.792 4.586 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.883 2.866 6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.012 4.338 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.791 2.837 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.776 0.733 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.496 0.636 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.740 0.857 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.667 3.562 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.219 2.026 6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.443 3.550 5.668 1.00 0.00 H new ATOM 125 N THR A 9 -8.169 3.227 4.429 1.00 0.00 N ATOM 126 CA THR A 9 -9.363 2.820 3.705 1.00 0.00 C ATOM 127 C THR A 9 -9.146 2.994 2.201 1.00 0.00 C ATOM 128 O THR A 9 -9.538 2.142 1.404 1.00 0.00 O ATOM 129 CB THR A 9 -10.561 3.658 4.155 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.797 3.436 5.537 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.797 3.256 3.350 1.00 0.00 C ATOM 0 H THR A 9 -8.308 4.003 5.076 1.00 0.00 H new ATOM 0 HA THR A 9 -9.563 1.770 3.918 1.00 0.00 H new ATOM 0 HB THR A 9 -10.352 4.715 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.086 3.859 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.650 3.853 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.612 3.428 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.011 2.200 3.515 1.00 0.00 H new ATOM 139 N ARG A 10 -8.523 4.106 1.821 1.00 0.00 N ATOM 140 CA ARG A 10 -8.260 4.379 0.414 1.00 0.00 C ATOM 141 C ARG A 10 -7.343 3.304 -0.168 1.00 0.00 C ATOM 142 O ARG A 10 -7.554 2.835 -1.286 1.00 0.00 O ATOM 143 CB ARG A 10 -7.602 5.753 0.260 1.00 0.00 C ATOM 144 CG ARG A 10 -7.434 6.075 -1.228 1.00 0.00 C ATOM 145 CD ARG A 10 -6.848 7.478 -1.377 1.00 0.00 C ATOM 146 NE ARG A 10 -5.469 7.511 -0.899 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.451 7.234 -1.708 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.227 7.264 -1.251 1.00 0.00 N ATOM 149 NH2 ARG A 10 -4.672 6.937 -2.955 1.00 0.00 N ATOM 0 H ARG A 10 -8.194 4.827 2.463 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.207 4.372 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.213 6.517 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.632 5.761 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.778 5.343 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.396 6.014 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.884 7.784 -2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.451 8.192 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.283 7.751 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.053 7.500 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.446 7.052 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.627 6.917 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.890 6.725 -3.575 1.00 0.00 H new ATOM 163 N CYS A 11 -6.327 2.918 0.599 1.00 0.00 N ATOM 164 CA CYS A 11 -5.394 1.895 0.150 1.00 0.00 C ATOM 165 C CYS A 11 -6.148 0.613 -0.190 1.00 0.00 C ATOM 166 O CYS A 11 -5.854 -0.050 -1.185 1.00 0.00 O ATOM 167 CB CYS A 11 -4.362 1.617 1.244 1.00 0.00 C ATOM 168 SG CYS A 11 -3.039 0.575 0.576 1.00 0.00 S ATOM 0 H CYS A 11 -6.132 3.296 1.526 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.881 2.251 -0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.948 2.555 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.838 1.121 2.090 1.00 0.00 H new ATOM 173 N LYS A 12 -7.127 0.276 0.638 1.00 0.00 N ATOM 174 CA LYS A 12 -7.930 -0.919 0.414 1.00 0.00 C ATOM 175 C LYS A 12 -8.683 -0.808 -0.909 1.00 0.00 C ATOM 176 O LYS A 12 -8.757 -1.767 -1.674 1.00 0.00 O ATOM 177 CB LYS A 12 -8.925 -1.099 1.554 1.00 0.00 C ATOM 178 CG LYS A 12 -9.681 -2.422 1.373 1.00 0.00 C ATOM 179 CD LYS A 12 -10.734 -2.579 2.473 1.00 0.00 C ATOM 180 CE LYS A 12 -10.061 -2.916 3.807 1.00 0.00 C ATOM 181 NZ LYS A 12 -11.098 -3.294 4.802 1.00 0.00 N ATOM 0 H LYS A 12 -7.384 0.810 1.468 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.266 -1.783 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.402 -1.095 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.628 -0.266 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.160 -2.446 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.982 -3.257 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.309 -1.658 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.437 -3.367 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.354 -3.735 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.492 -2.059 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.642 -3.523 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.756 -2.500 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.622 -4.124 4.459 1.00 0.00 H new ATOM 195 N LYS A 13 -9.245 0.370 -1.169 1.00 0.00 N ATOM 196 CA LYS A 13 -9.984 0.589 -2.404 1.00 0.00 C ATOM 197 C LYS A 13 -9.076 0.402 -3.611 1.00 0.00 C ATOM 198 O LYS A 13 -9.481 -0.183 -4.617 1.00 0.00 O ATOM 199 CB LYS A 13 -10.579 2.002 -2.420 1.00 0.00 C ATOM 200 CG LYS A 13 -11.725 2.090 -1.412 1.00 0.00 C ATOM 201 CD LYS A 13 -12.322 3.499 -1.441 1.00 0.00 C ATOM 202 CE LYS A 13 -13.492 3.578 -0.457 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.070 4.951 -0.480 1.00 0.00 N ATOM 0 H LYS A 13 -9.203 1.178 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.791 -0.142 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.809 2.734 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.941 2.243 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.492 1.353 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.362 1.858 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.561 4.233 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.663 3.740 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.255 2.846 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.152 3.332 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.865 5.004 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.340 5.639 -0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.409 5.169 -1.439 1.00 0.00 H new ATOM 217 N LEU A 14 -7.852 0.900 -3.510 1.00 0.00 N ATOM 218 CA LEU A 14 -6.905 0.775 -4.607 1.00 0.00 C ATOM 219 C LEU A 14 -6.595 -0.693 -4.875 1.00 0.00 C ATOM 220 O LEU A 14 -6.546 -1.127 -6.019 1.00 0.00 O ATOM 221 CB LEU A 14 -5.613 1.513 -4.249 1.00 0.00 C ATOM 222 CG LEU A 14 -5.886 3.022 -4.148 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.637 3.739 -3.612 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.256 3.593 -5.528 1.00 0.00 C ATOM 0 H LEU A 14 -7.495 1.389 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.343 1.211 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.221 1.141 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.852 1.322 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.720 3.182 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.834 4.809 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.390 3.350 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.800 3.568 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.446 4.663 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.433 3.427 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.151 3.094 -5.900 1.00 0.00 H new ATOM 236 N LEU A 15 -6.397 -1.455 -3.806 1.00 0.00 N ATOM 237 CA LEU A 15 -6.099 -2.876 -3.938 1.00 0.00 C ATOM 238 C LEU A 15 -7.282 -3.621 -4.547 1.00 0.00 C ATOM 239 O LEU A 15 -7.113 -4.516 -5.368 1.00 0.00 O ATOM 240 CB LEU A 15 -5.761 -3.461 -2.570 1.00 0.00 C ATOM 241 CG LEU A 15 -4.428 -2.876 -2.077 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.214 -3.265 -0.611 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.256 -3.407 -2.930 1.00 0.00 C ATOM 0 H LEU A 15 -6.437 -1.116 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.242 -2.992 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.555 -3.233 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.692 -4.547 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.463 -1.791 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.269 -2.851 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.031 -2.870 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.190 -4.351 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.320 -2.982 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.215 -4.494 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.405 -3.120 -3.971 1.00 0.00 H new ATOM 255 N ASP A 16 -8.480 -3.238 -4.133 1.00 0.00 N ATOM 256 CA ASP A 16 -9.696 -3.870 -4.635 1.00 0.00 C ATOM 257 C ASP A 16 -9.828 -3.656 -6.139 1.00 0.00 C ATOM 258 O ASP A 16 -10.315 -4.522 -6.864 1.00 0.00 O ATOM 259 CB ASP A 16 -10.920 -3.304 -3.919 1.00 0.00 C ATOM 260 CG ASP A 16 -10.971 -3.816 -2.483 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.254 -4.755 -2.181 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.731 -3.262 -1.705 1.00 0.00 O ATOM 0 H ASP A 16 -8.639 -2.495 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.634 -4.940 -4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.882 -2.215 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.827 -3.594 -4.449 1.00 0.00 H new ATOM 267 N ASP A 17 -9.390 -2.491 -6.599 1.00 0.00 N ATOM 268 CA ASP A 17 -9.458 -2.155 -8.015 1.00 0.00 C ATOM 269 C ASP A 17 -8.571 -3.099 -8.823 1.00 0.00 C ATOM 270 O ASP A 17 -8.595 -3.087 -10.053 1.00 0.00 O ATOM 271 CB ASP A 17 -9.019 -0.707 -8.240 1.00 0.00 C ATOM 272 CG ASP A 17 -10.076 0.244 -7.691 1.00 0.00 C ATOM 273 OD1 ASP A 17 -9.766 1.415 -7.536 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.178 -0.208 -7.431 1.00 0.00 O ATOM 0 H ASP A 17 -8.984 -1.763 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.490 -2.265 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.063 -0.526 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.869 -0.524 -9.304 1.00 0.00 H new ATOM 279 N SER A 18 -7.772 -3.901 -8.129 1.00 0.00 N ATOM 280 CA SER A 18 -6.870 -4.825 -8.800 1.00 0.00 C ATOM 281 C SER A 18 -7.646 -5.777 -9.698 1.00 0.00 C ATOM 282 O SER A 18 -7.116 -6.284 -10.686 1.00 0.00 O ATOM 283 CB SER A 18 -6.086 -5.630 -7.762 1.00 0.00 C ATOM 284 OG SER A 18 -6.986 -6.455 -7.032 1.00 0.00 O ATOM 0 H SER A 18 -7.731 -3.930 -7.110 1.00 0.00 H new ATOM 0 HA SER A 18 -6.180 -4.247 -9.414 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.330 -6.242 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.560 -4.958 -7.085 1.00 0.00 H new ATOM 0 HG SER A 18 -7.367 -5.944 -6.288 1.00 0.00 H new ATOM 290 N SER A 19 -8.901 -6.003 -9.356 1.00 0.00 N ATOM 291 CA SER A 19 -9.754 -6.889 -10.149 1.00 0.00 C ATOM 292 C SER A 19 -10.412 -6.130 -11.297 1.00 0.00 C ATOM 293 O SER A 19 -10.925 -6.728 -12.242 1.00 0.00 O ATOM 294 CB SER A 19 -10.835 -7.511 -9.265 1.00 0.00 C ATOM 295 OG SER A 19 -11.741 -6.500 -8.849 1.00 0.00 O ATOM 0 H SER A 19 -9.356 -5.592 -8.541 1.00 0.00 H new ATOM 0 HA SER A 19 -9.125 -7.676 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.367 -8.288 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.381 -7.988 -8.397 1.00 0.00 H new ATOM 0 HG SER A 19 -11.288 -5.890 -8.230 1.00 0.00 H new ATOM 301 N SER A 20 -10.383 -4.815 -11.204 1.00 0.00 N ATOM 302 CA SER A 20 -10.967 -3.961 -12.240 1.00 0.00 C ATOM 303 C SER A 20 -10.006 -3.807 -13.414 1.00 0.00 C ATOM 304 O SER A 20 -8.791 -3.875 -13.244 1.00 0.00 O ATOM 305 CB SER A 20 -11.307 -2.587 -11.668 1.00 0.00 C ATOM 306 OG SER A 20 -11.631 -1.700 -12.734 1.00 0.00 O ATOM 0 H SER A 20 -9.963 -4.307 -10.425 1.00 0.00 H new ATOM 0 HA SER A 20 -11.882 -4.435 -12.595 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.147 -2.666 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.462 -2.198 -11.100 1.00 0.00 H new ATOM 0 HG SER A 20 -11.510 -0.774 -12.437 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.556 -3.598 -14.604 1.00 0.00 N ATOM 314 CA LYS B 1 -9.740 -3.433 -15.807 1.00 0.00 C ATOM 315 C LYS B 1 -9.422 -1.967 -16.044 1.00 0.00 C ATOM 316 O LYS B 1 -8.946 -1.587 -17.117 1.00 0.00 O ATOM 317 CB LYS B 1 -10.469 -4.006 -17.016 1.00 0.00 C ATOM 318 CG LYS B 1 -10.631 -5.519 -16.842 1.00 0.00 C ATOM 319 CD LYS B 1 -11.294 -6.123 -18.085 1.00 0.00 C ATOM 320 CE LYS B 1 -12.776 -5.726 -18.135 1.00 0.00 C ATOM 321 NZ LYS B 1 -13.466 -6.525 -19.179 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.497 -4.583 -14.277 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.804 -3.972 -15.663 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.446 -3.534 -17.123 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.910 -3.791 -17.927 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.657 -5.981 -16.679 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.235 -5.729 -15.959 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -10.785 -5.775 -18.984 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.200 -7.209 -18.066 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -13.242 -5.896 -17.164 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.872 -4.662 -18.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -14.470 -6.257 -19.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.026 -6.342 -20.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -13.385 -7.537 -18.952 1.00 0.00 H new ATOM 335 N ASN B 2 -9.710 -1.145 -15.045 1.00 0.00 N ATOM 336 CA ASN B 2 -9.466 0.279 -15.160 1.00 0.00 C ATOM 337 C ASN B 2 -7.979 0.565 -15.394 1.00 0.00 C ATOM 338 O ASN B 2 -7.119 -0.225 -15.003 1.00 0.00 O ATOM 339 CB ASN B 2 -9.932 1.010 -13.898 1.00 0.00 C ATOM 340 CG ASN B 2 -9.421 0.286 -12.665 1.00 0.00 C ATOM 341 OD1 ASN B 2 -10.201 -0.020 -11.771 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.152 -0.007 -12.563 1.00 0.00 N ATOM 0 H ASN B 2 -10.110 -1.440 -14.154 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.034 0.642 -16.017 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.566 2.037 -13.906 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.021 1.060 -13.877 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.806 -0.493 -11.736 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -7.507 0.250 -13.311 1.00 0.00 H new ATOM 349 N PRO B 3 -7.657 1.679 -16.011 1.00 0.00 N ATOM 350 CA PRO B 3 -6.237 2.070 -16.280 1.00 0.00 C ATOM 351 C PRO B 3 -5.392 2.085 -15.000 1.00 0.00 C ATOM 352 O PRO B 3 -4.171 1.946 -15.047 1.00 0.00 O ATOM 353 CB PRO B 3 -6.357 3.486 -16.870 1.00 0.00 C ATOM 354 CG PRO B 3 -7.738 3.563 -17.426 1.00 0.00 C ATOM 355 CD PRO B 3 -8.602 2.689 -16.536 1.00 0.00 C ATOM 0 HA PRO B 3 -5.736 1.366 -16.944 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.198 4.246 -16.105 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.610 3.654 -17.646 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -8.099 4.591 -17.430 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.762 3.212 -18.458 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -9.059 3.265 -15.732 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.413 2.225 -17.097 1.00 0.00 H new ATOM 363 N GLU B 4 -6.056 2.260 -13.865 1.00 0.00 N ATOM 364 CA GLU B 4 -5.366 2.295 -12.579 1.00 0.00 C ATOM 365 C GLU B 4 -4.670 0.963 -12.310 1.00 0.00 C ATOM 366 O GLU B 4 -3.864 0.841 -11.383 1.00 0.00 O ATOM 367 CB GLU B 4 -6.355 2.601 -11.453 1.00 0.00 C ATOM 368 CG GLU B 4 -6.864 4.036 -11.599 1.00 0.00 C ATOM 369 CD GLU B 4 -7.899 4.330 -10.516 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.210 3.426 -9.760 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.363 5.458 -10.460 1.00 0.00 O ATOM 0 H GLU B 4 -7.067 2.380 -13.807 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.615 3.084 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.191 1.902 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.872 2.472 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.033 4.736 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.306 4.176 -12.585 1.00 0.00 H new ATOM 378 N ALA B 5 -4.995 -0.040 -13.121 1.00 0.00 N ATOM 379 CA ALA B 5 -4.405 -1.362 -12.959 1.00 0.00 C ATOM 380 C ALA B 5 -2.883 -1.272 -13.050 1.00 0.00 C ATOM 381 O ALA B 5 -2.170 -2.076 -12.449 1.00 0.00 O ATOM 382 CB ALA B 5 -4.926 -2.303 -14.048 1.00 0.00 C ATOM 0 H ALA B 5 -5.659 0.038 -13.891 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.684 -1.752 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.480 -3.289 -13.920 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.010 -2.382 -13.972 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.659 -1.908 -15.028 1.00 0.00 H new ATOM 388 N GLU B 6 -2.390 -0.287 -13.794 1.00 0.00 N ATOM 389 CA GLU B 6 -0.949 -0.105 -13.941 1.00 0.00 C ATOM 390 C GLU B 6 -0.309 0.192 -12.585 1.00 0.00 C ATOM 391 O GLU B 6 0.760 -0.324 -12.264 1.00 0.00 O ATOM 392 CB GLU B 6 -0.667 1.050 -14.902 1.00 0.00 C ATOM 393 CG GLU B 6 -1.070 0.642 -16.319 1.00 0.00 C ATOM 394 CD GLU B 6 -0.860 1.809 -17.278 1.00 0.00 C ATOM 395 OE1 GLU B 6 -1.083 1.624 -18.462 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.481 2.871 -16.813 1.00 0.00 O ATOM 0 H GLU B 6 -2.959 0.391 -14.300 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.521 -1.024 -14.341 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.222 1.936 -14.595 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.391 1.311 -14.874 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.479 -0.215 -16.641 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.115 0.332 -16.334 1.00 0.00 H new ATOM 403 N GLU B 7 -0.979 1.015 -11.788 1.00 0.00 N ATOM 404 CA GLU B 7 -0.477 1.356 -10.463 1.00 0.00 C ATOM 405 C GLU B 7 -0.462 0.127 -9.565 1.00 0.00 C ATOM 406 O GLU B 7 0.437 -0.049 -8.744 1.00 0.00 O ATOM 407 CB GLU B 7 -1.349 2.447 -9.830 1.00 0.00 C ATOM 408 CG GLU B 7 -1.177 3.756 -10.606 1.00 0.00 C ATOM 409 CD GLU B 7 0.252 4.274 -10.448 1.00 0.00 C ATOM 410 OE1 GLU B 7 0.911 3.862 -9.506 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.666 5.072 -11.273 1.00 0.00 O ATOM 0 H GLU B 7 -1.865 1.456 -12.034 1.00 0.00 H new ATOM 0 HA GLU B 7 0.542 1.728 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -2.395 2.142 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.068 2.591 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.400 3.595 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.885 4.500 -10.241 1.00 0.00 H new ATOM 418 N ILE B 8 -1.465 -0.726 -9.725 1.00 0.00 N ATOM 419 CA ILE B 8 -1.566 -1.938 -8.914 1.00 0.00 C ATOM 420 C ILE B 8 -0.362 -2.836 -9.178 1.00 0.00 C ATOM 421 O ILE B 8 0.220 -3.395 -8.252 1.00 0.00 O ATOM 422 CB ILE B 8 -2.851 -2.689 -9.262 1.00 0.00 C ATOM 423 CG1 ILE B 8 -4.042 -1.730 -9.150 1.00 0.00 C ATOM 424 CG2 ILE B 8 -3.044 -3.855 -8.292 1.00 0.00 C ATOM 425 CD1 ILE B 8 -4.055 -1.038 -7.786 1.00 0.00 C ATOM 0 H ILE B 8 -2.217 -0.605 -10.403 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.586 -1.661 -7.860 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.783 -3.074 -10.279 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -3.989 -0.983 -9.942 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -4.972 -2.280 -9.293 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.961 -4.389 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -2.196 -4.535 -8.368 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -3.113 -3.473 -7.273 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.908 -0.362 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -4.132 -1.788 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.134 -0.470 -7.657 1.00 0.00 H new ATOM 437 N THR B 9 0.015 -2.959 -10.444 1.00 0.00 N ATOM 438 CA THR B 9 1.159 -3.778 -10.813 1.00 0.00 C ATOM 439 C THR B 9 2.425 -3.234 -10.150 1.00 0.00 C ATOM 440 O THR B 9 3.252 -3.996 -9.648 1.00 0.00 O ATOM 441 CB THR B 9 1.334 -3.780 -12.332 1.00 0.00 C ATOM 442 OG1 THR B 9 0.180 -4.341 -12.938 1.00 0.00 O ATOM 443 CG2 THR B 9 2.564 -4.609 -12.704 1.00 0.00 C ATOM 0 H THR B 9 -0.453 -2.504 -11.228 1.00 0.00 H new ATOM 0 HA THR B 9 0.986 -4.799 -10.472 1.00 0.00 H new ATOM 0 HB THR B 9 1.469 -2.758 -12.685 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.575 -3.725 -12.836 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.688 -4.610 -13.787 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.449 -4.176 -12.238 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.433 -5.633 -12.353 1.00 0.00 H new ATOM 451 N ARG B 10 2.568 -1.912 -10.147 1.00 0.00 N ATOM 452 CA ARG B 10 3.736 -1.282 -9.543 1.00 0.00 C ATOM 453 C ARG B 10 3.787 -1.600 -8.048 1.00 0.00 C ATOM 454 O ARG B 10 4.849 -1.904 -7.505 1.00 0.00 O ATOM 455 CB ARG B 10 3.674 0.234 -9.744 1.00 0.00 C ATOM 456 CG ARG B 10 4.956 0.873 -9.200 1.00 0.00 C ATOM 457 CD ARG B 10 4.929 2.375 -9.479 1.00 0.00 C ATOM 458 NE ARG B 10 3.906 3.027 -8.669 1.00 0.00 N ATOM 459 CZ ARG B 10 4.174 3.481 -7.449 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.235 4.056 -6.744 1.00 0.00 N ATOM 461 NH2 ARG B 10 5.372 3.359 -6.958 1.00 0.00 N ATOM 0 H ARG B 10 1.895 -1.261 -10.553 1.00 0.00 H new ATOM 0 HA ARG B 10 4.634 -1.671 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.559 0.467 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.804 0.645 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.040 0.692 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.829 0.420 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.905 2.809 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.731 2.551 -10.536 1.00 0.00 H new ATOM 0 HE ARG B 10 2.965 3.137 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.296 4.156 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG B 10 3.441 4.404 -5.808 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.106 2.915 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG B 10 5.577 3.708 -6.022 1.00 0.00 H new ATOM 475 N CYS B 11 2.631 -1.540 -7.393 1.00 0.00 N ATOM 476 CA CYS B 11 2.556 -1.836 -5.968 1.00 0.00 C ATOM 477 C CYS B 11 3.107 -3.232 -5.689 1.00 0.00 C ATOM 478 O CYS B 11 3.825 -3.443 -4.711 1.00 0.00 O ATOM 479 CB CYS B 11 1.105 -1.754 -5.499 1.00 0.00 C ATOM 480 SG CYS B 11 1.062 -1.725 -3.687 1.00 0.00 S ATOM 0 H CYS B 11 1.740 -1.291 -7.823 1.00 0.00 H new ATOM 0 HA CYS B 11 3.154 -1.104 -5.425 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.631 -0.858 -5.900 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.541 -2.608 -5.874 1.00 0.00 H new ATOM 485 N LYS B 12 2.771 -4.178 -6.557 1.00 0.00 N ATOM 486 CA LYS B 12 3.241 -5.549 -6.405 1.00 0.00 C ATOM 487 C LYS B 12 4.765 -5.595 -6.491 1.00 0.00 C ATOM 488 O LYS B 12 5.418 -6.301 -5.725 1.00 0.00 O ATOM 489 CB LYS B 12 2.637 -6.433 -7.489 1.00 0.00 C ATOM 490 CG LYS B 12 3.039 -7.892 -7.247 1.00 0.00 C ATOM 491 CD LYS B 12 2.497 -8.780 -8.371 1.00 0.00 C ATOM 492 CE LYS B 12 0.987 -8.981 -8.207 1.00 0.00 C ATOM 493 NZ LYS B 12 0.523 -10.028 -9.152 1.00 0.00 N ATOM 0 H LYS B 12 2.177 -4.022 -7.371 1.00 0.00 H new ATOM 0 HA LYS B 12 2.929 -5.919 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.551 -6.339 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.982 -6.108 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.125 -7.975 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.650 -8.230 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.707 -8.323 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS B 12 3.003 -9.745 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS B 12 0.757 -9.273 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS B 12 0.462 -8.045 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -0.502 -10.166 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 0.730 -9.732 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.016 -10.921 -8.950 1.00 0.00 H new ATOM 507 N LYS B 13 5.321 -4.845 -7.439 1.00 0.00 N ATOM 508 CA LYS B 13 6.766 -4.811 -7.609 1.00 0.00 C ATOM 509 C LYS B 13 7.442 -4.271 -6.357 1.00 0.00 C ATOM 510 O LYS B 13 8.483 -4.775 -5.937 1.00 0.00 O ATOM 511 CB LYS B 13 7.137 -3.936 -8.814 1.00 0.00 C ATOM 512 CG LYS B 13 6.731 -4.644 -10.107 1.00 0.00 C ATOM 513 CD LYS B 13 7.119 -3.776 -11.307 1.00 0.00 C ATOM 514 CE LYS B 13 6.739 -4.497 -12.602 1.00 0.00 C ATOM 515 NZ LYS B 13 7.097 -3.644 -13.770 1.00 0.00 N ATOM 0 H LYS B 13 4.799 -4.261 -8.092 1.00 0.00 H new ATOM 0 HA LYS B 13 7.113 -5.830 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.636 -2.971 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.209 -3.739 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.222 -5.615 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.657 -4.830 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.612 -2.813 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.190 -3.573 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.258 -5.453 -12.664 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.671 -4.713 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.839 -4.134 -14.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 6.582 -2.742 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.120 -3.459 -13.764 1.00 0.00 H new ATOM 529 N LEU B 14 6.848 -3.243 -5.763 1.00 0.00 N ATOM 530 CA LEU B 14 7.412 -2.649 -4.561 1.00 0.00 C ATOM 531 C LEU B 14 7.414 -3.662 -3.419 1.00 0.00 C ATOM 532 O LEU B 14 8.393 -3.786 -2.692 1.00 0.00 O ATOM 533 CB LEU B 14 6.576 -1.432 -4.158 1.00 0.00 C ATOM 534 CG LEU B 14 6.700 -0.339 -5.232 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.722 0.804 -4.920 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.136 0.210 -5.278 1.00 0.00 C ATOM 0 H LEU B 14 5.985 -2.808 -6.091 1.00 0.00 H new ATOM 0 HA LEU B 14 8.439 -2.344 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.532 -1.720 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.914 -1.049 -3.195 1.00 0.00 H new ATOM 0 HG LEU B 14 6.459 -0.773 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.812 1.578 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.702 0.419 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.957 1.228 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.206 0.983 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.394 0.636 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.827 -0.599 -5.515 1.00 0.00 H new ATOM 548 N LEU B 15 6.317 -4.395 -3.283 1.00 0.00 N ATOM 549 CA LEU B 15 6.206 -5.399 -2.232 1.00 0.00 C ATOM 550 C LEU B 15 7.216 -6.518 -2.451 1.00 0.00 C ATOM 551 O LEU B 15 7.819 -7.023 -1.509 1.00 0.00 O ATOM 552 CB LEU B 15 4.790 -5.969 -2.212 1.00 0.00 C ATOM 553 CG LEU B 15 3.807 -4.878 -1.759 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.372 -5.365 -1.985 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.011 -4.548 -0.265 1.00 0.00 C ATOM 0 H LEU B 15 5.496 -4.315 -3.883 1.00 0.00 H new ATOM 0 HA LEU B 15 6.418 -4.927 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.518 -6.330 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.739 -6.823 -1.536 1.00 0.00 H new ATOM 0 HG LEU B 15 3.990 -3.975 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.671 -4.594 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.222 -5.575 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.201 -6.273 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.306 -3.773 0.036 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.842 -5.444 0.332 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.029 -4.193 -0.107 1.00 0.00 H new ATOM 567 N ASP B 16 7.394 -6.897 -3.710 1.00 0.00 N ATOM 568 CA ASP B 16 8.330 -7.959 -4.061 1.00 0.00 C ATOM 569 C ASP B 16 9.753 -7.565 -3.677 1.00 0.00 C ATOM 570 O ASP B 16 10.556 -8.406 -3.272 1.00 0.00 O ATOM 571 CB ASP B 16 8.259 -8.256 -5.558 1.00 0.00 C ATOM 572 CG ASP B 16 6.960 -8.983 -5.886 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.306 -9.439 -4.963 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.638 -9.078 -7.060 1.00 0.00 O ATOM 0 H ASP B 16 6.904 -6.486 -4.504 1.00 0.00 H new ATOM 0 HA ASP B 16 8.053 -8.857 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.318 -7.327 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.112 -8.866 -5.857 1.00 0.00 H new ATOM 579 N ASP B 17 10.058 -6.283 -3.812 1.00 0.00 N ATOM 580 CA ASP B 17 11.383 -5.775 -3.483 1.00 0.00 C ATOM 581 C ASP B 17 11.663 -5.954 -1.994 1.00 0.00 C ATOM 582 O ASP B 17 12.783 -5.740 -1.532 1.00 0.00 O ATOM 583 CB ASP B 17 11.490 -4.294 -3.853 1.00 0.00 C ATOM 584 CG ASP B 17 11.522 -4.138 -5.368 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.312 -3.029 -5.833 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.760 -5.126 -6.043 1.00 0.00 O ATOM 0 H ASP B 17 9.406 -5.574 -4.147 1.00 0.00 H new ATOM 0 HA ASP B 17 12.120 -6.339 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.644 -3.745 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.392 -3.865 -3.416 1.00 0.00 H new ATOM 591 N SER B 18 10.636 -6.326 -1.237 1.00 0.00 N ATOM 592 CA SER B 18 10.791 -6.502 0.200 1.00 0.00 C ATOM 593 C SER B 18 11.862 -7.538 0.503 1.00 0.00 C ATOM 594 O SER B 18 12.497 -7.496 1.556 1.00 0.00 O ATOM 595 CB SER B 18 9.461 -6.949 0.810 1.00 0.00 C ATOM 596 OG SER B 18 9.131 -8.242 0.315 1.00 0.00 O ATOM 0 H SER B 18 9.697 -6.510 -1.591 1.00 0.00 H new ATOM 0 HA SER B 18 11.094 -5.549 0.635 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.535 -6.970 1.897 1.00 0.00 H new ATOM 0 HB3 SER B 18 8.674 -6.238 0.558 1.00 0.00 H new ATOM 0 HG SER B 18 8.501 -8.156 -0.431 1.00 0.00 H new ATOM 602 N SER B 19 12.067 -8.450 -0.427 1.00 0.00 N ATOM 603 CA SER B 19 13.084 -9.491 -0.255 1.00 0.00 C ATOM 604 C SER B 19 14.453 -8.992 -0.700 1.00 0.00 C ATOM 605 O SER B 19 15.481 -9.582 -0.370 1.00 0.00 O ATOM 606 CB SER B 19 12.708 -10.733 -1.064 1.00 0.00 C ATOM 607 OG SER B 19 12.779 -10.428 -2.450 1.00 0.00 O ATOM 0 H SER B 19 11.552 -8.499 -1.306 1.00 0.00 H new ATOM 0 HA SER B 19 13.131 -9.746 0.804 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.383 -11.555 -0.825 1.00 0.00 H new ATOM 0 HB3 SER B 19 11.702 -11.061 -0.803 1.00 0.00 H new ATOM 0 HG SER B 19 12.032 -9.843 -2.695 1.00 0.00 H new ATOM 613 N SER B 20 14.453 -7.901 -1.444 1.00 0.00 N ATOM 614 CA SER B 20 15.700 -7.311 -1.933 1.00 0.00 C ATOM 615 C SER B 20 16.359 -6.467 -0.848 1.00 0.00 C ATOM 616 O SER B 20 15.680 -5.900 0.008 1.00 0.00 O ATOM 617 CB SER B 20 15.432 -6.445 -3.164 1.00 0.00 C ATOM 618 OG SER B 20 16.596 -5.687 -3.467 1.00 0.00 O ATOM 0 H SER B 20 13.609 -7.402 -1.726 1.00 0.00 H new ATOM 0 HA SER B 20 16.374 -8.123 -2.206 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.162 -7.073 -4.013 1.00 0.00 H new ATOM 0 HB3 SER B 20 14.589 -5.780 -2.978 1.00 0.00 H new ATOM 0 HG SER B 20 16.356 -4.938 -4.051 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 17.683 -6.383 -0.891 1.00 0.00 N ATOM 626 CA LYS C 1 18.432 -5.600 0.090 1.00 0.00 C ATOM 627 C LYS C 1 18.644 -4.181 -0.413 1.00 0.00 C ATOM 628 O LYS C 1 19.446 -3.425 0.142 1.00 0.00 O ATOM 629 CB LYS C 1 19.779 -6.254 0.366 1.00 0.00 C ATOM 630 CG LYS C 1 19.554 -7.617 1.029 1.00 0.00 C ATOM 631 CD LYS C 1 20.901 -8.260 1.380 1.00 0.00 C ATOM 632 CE LYS C 1 21.605 -8.738 0.104 1.00 0.00 C ATOM 633 NZ LYS C 1 22.776 -9.574 0.469 1.00 0.00 N ATOM 0 H3 LYS C 1 17.270 -7.217 -0.427 1.00 0.00 H new ATOM 0 HA LYS C 1 17.856 -5.564 1.014 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.334 -6.376 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.380 -5.616 1.014 1.00 0.00 H new ATOM 0 HG2 LYS C 1 18.953 -7.497 1.931 1.00 0.00 H new ATOM 0 HG3 LYS C 1 18.995 -8.269 0.358 1.00 0.00 H new ATOM 0 HD2 LYS C 1 21.530 -7.541 1.904 1.00 0.00 H new ATOM 0 HD3 LYS C 1 20.746 -9.101 2.056 1.00 0.00 H new ATOM 0 HE2 LYS C 1 20.913 -9.312 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.926 -7.882 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.254 -9.899 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 23.439 -9.012 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 22.457 -10.398 1.018 1.00 0.00 H new ATOM 647 N ASN C 2 17.941 -3.835 -1.481 1.00 0.00 N ATOM 648 CA ASN C 2 18.070 -2.515 -2.064 1.00 0.00 C ATOM 649 C ASN C 2 17.671 -1.428 -1.060 1.00 0.00 C ATOM 650 O ASN C 2 16.878 -1.675 -0.150 1.00 0.00 O ATOM 651 CB ASN C 2 17.203 -2.392 -3.320 1.00 0.00 C ATOM 652 CG ASN C 2 15.805 -2.912 -3.034 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.293 -3.734 -3.786 1.00 0.00 O ATOM 654 ND2 ASN C 2 15.153 -2.480 -1.987 1.00 0.00 N ATOM 0 H ASN C 2 17.280 -4.449 -1.957 1.00 0.00 H new ATOM 0 HA ASN C 2 19.117 -2.376 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN C 2 17.155 -1.351 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.650 -2.956 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN C 2 14.214 -2.827 -1.792 1.00 0.00 H new ATOM 0 HD22 ASN C 2 15.583 -1.796 -1.365 1.00 0.00 H new ATOM 661 N PRO C 3 18.190 -0.230 -1.211 1.00 0.00 N ATOM 662 CA PRO C 3 17.858 0.912 -0.301 1.00 0.00 C ATOM 663 C PRO C 3 16.347 1.156 -0.214 1.00 0.00 C ATOM 664 O PRO C 3 15.854 1.714 0.766 1.00 0.00 O ATOM 665 CB PRO C 3 18.566 2.111 -0.955 1.00 0.00 C ATOM 666 CG PRO C 3 19.665 1.522 -1.773 1.00 0.00 C ATOM 667 CD PRO C 3 19.162 0.172 -2.252 1.00 0.00 C ATOM 0 HA PRO C 3 18.177 0.727 0.725 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.877 2.683 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.959 2.794 -0.202 1.00 0.00 H new ATOM 0 HG2 PRO C 3 19.911 2.167 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO C 3 20.574 1.411 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.691 0.245 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.974 -0.549 -2.341 1.00 0.00 H new ATOM 675 N GLU C 4 15.626 0.736 -1.245 1.00 0.00 N ATOM 676 CA GLU C 4 14.178 0.910 -1.282 1.00 0.00 C ATOM 677 C GLU C 4 13.522 0.147 -0.132 1.00 0.00 C ATOM 678 O GLU C 4 12.333 0.317 0.147 1.00 0.00 O ATOM 679 CB GLU C 4 13.617 0.418 -2.617 1.00 0.00 C ATOM 680 CG GLU C 4 14.092 1.340 -3.741 1.00 0.00 C ATOM 681 CD GLU C 4 13.591 0.820 -5.084 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.945 -0.214 -5.095 1.00 0.00 O ATOM 683 OE2 GLU C 4 13.862 1.465 -6.085 1.00 0.00 O ATOM 0 H GLU C 4 16.018 0.273 -2.065 1.00 0.00 H new ATOM 0 HA GLU C 4 13.956 1.972 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.945 -0.604 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.528 0.401 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.724 2.352 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU C 4 15.181 1.393 -3.745 1.00 0.00 H new ATOM 690 N ALA C 5 14.305 -0.701 0.528 1.00 0.00 N ATOM 691 CA ALA C 5 13.793 -1.492 1.638 1.00 0.00 C ATOM 692 C ALA C 5 13.228 -0.576 2.722 1.00 0.00 C ATOM 693 O ALA C 5 12.308 -0.954 3.447 1.00 0.00 O ATOM 694 CB ALA C 5 14.915 -2.348 2.232 1.00 0.00 C ATOM 0 H ALA C 5 15.290 -0.856 0.314 1.00 0.00 H new ATOM 0 HA ALA C 5 13.000 -2.140 1.266 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.523 -2.936 3.062 1.00 0.00 H new ATOM 0 HB2 ALA C 5 15.307 -3.017 1.466 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.715 -1.701 2.592 1.00 0.00 H new ATOM 700 N GLU C 6 13.776 0.632 2.823 1.00 0.00 N ATOM 701 CA GLU C 6 13.306 1.589 3.820 1.00 0.00 C ATOM 702 C GLU C 6 11.841 1.939 3.572 1.00 0.00 C ATOM 703 O GLU C 6 11.049 2.046 4.507 1.00 0.00 O ATOM 704 CB GLU C 6 14.153 2.859 3.758 1.00 0.00 C ATOM 705 CG GLU C 6 15.565 2.557 4.264 1.00 0.00 C ATOM 706 CD GLU C 6 16.439 3.801 4.147 1.00 0.00 C ATOM 707 OE1 GLU C 6 17.572 3.748 4.596 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.963 4.788 3.610 1.00 0.00 O ATOM 0 H GLU C 6 14.537 0.969 2.234 1.00 0.00 H new ATOM 0 HA GLU C 6 13.399 1.138 4.808 1.00 0.00 H new ATOM 0 HB2 GLU C 6 14.194 3.232 2.734 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.698 3.642 4.364 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.525 2.227 5.302 1.00 0.00 H new ATOM 0 HG3 GLU C 6 16.000 1.741 3.687 1.00 0.00 H new ATOM 715 N GLU C 7 11.484 2.104 2.303 1.00 0.00 N ATOM 716 CA GLU C 7 10.108 2.421 1.945 1.00 0.00 C ATOM 717 C GLU C 7 9.181 1.264 2.291 1.00 0.00 C ATOM 718 O GLU C 7 8.044 1.466 2.715 1.00 0.00 O ATOM 719 CB GLU C 7 10.010 2.730 0.446 1.00 0.00 C ATOM 720 CG GLU C 7 10.747 4.037 0.143 1.00 0.00 C ATOM 721 CD GLU C 7 10.032 5.210 0.811 1.00 0.00 C ATOM 722 OE1 GLU C 7 8.859 5.064 1.125 1.00 0.00 O ATOM 723 OE2 GLU C 7 10.665 6.234 1.003 1.00 0.00 O ATOM 0 H GLU C 7 12.123 2.024 1.512 1.00 0.00 H new ATOM 0 HA GLU C 7 9.801 3.298 2.515 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.442 1.914 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU C 7 8.965 2.813 0.149 1.00 0.00 H new ATOM 0 HG2 GLU C 7 11.775 3.976 0.501 1.00 0.00 H new ATOM 0 HG3 GLU C 7 10.794 4.196 -0.934 1.00 0.00 H new ATOM 730 N ILE C 8 9.674 0.046 2.109 1.00 0.00 N ATOM 731 CA ILE C 8 8.878 -1.147 2.397 1.00 0.00 C ATOM 732 C ILE C 8 8.524 -1.182 3.880 1.00 0.00 C ATOM 733 O ILE C 8 7.394 -1.489 4.249 1.00 0.00 O ATOM 734 CB ILE C 8 9.672 -2.401 2.027 1.00 0.00 C ATOM 735 CG1 ILE C 8 10.168 -2.278 0.582 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.771 -3.630 2.151 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.008 -1.959 -0.366 1.00 0.00 C ATOM 0 H ILE C 8 10.615 -0.145 1.765 1.00 0.00 H new ATOM 0 HA ILE C 8 7.961 -1.117 1.808 1.00 0.00 H new ATOM 0 HB ILE C 8 10.523 -2.505 2.699 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.923 -1.494 0.517 1.00 0.00 H new ATOM 0 HG13 ILE C 8 10.648 -3.208 0.277 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.336 -4.524 1.887 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.413 -3.717 3.177 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.920 -3.527 1.477 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.384 -1.876 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.267 -2.757 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE C 8 8.546 -1.016 -0.072 1.00 0.00 H new ATOM 749 N THR C 9 9.494 -0.852 4.724 1.00 0.00 N ATOM 750 CA THR C 9 9.267 -0.834 6.160 1.00 0.00 C ATOM 751 C THR C 9 8.179 0.183 6.505 1.00 0.00 C ATOM 752 O THR C 9 7.311 -0.078 7.340 1.00 0.00 O ATOM 753 CB THR C 9 10.561 -0.470 6.892 1.00 0.00 C ATOM 754 OG1 THR C 9 11.545 -1.457 6.625 1.00 0.00 O ATOM 755 CG2 THR C 9 10.296 -0.401 8.396 1.00 0.00 C ATOM 0 H THR C 9 10.439 -0.595 4.439 1.00 0.00 H new ATOM 0 HA THR C 9 8.944 -1.826 6.476 1.00 0.00 H new ATOM 0 HB THR C 9 10.916 0.500 6.545 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.870 -1.355 5.706 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.218 -0.142 8.916 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.540 0.358 8.598 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.941 -1.370 8.748 1.00 0.00 H new ATOM 763 N ARG C 10 8.231 1.343 5.858 1.00 0.00 N ATOM 764 CA ARG C 10 7.249 2.391 6.109 1.00 0.00 C ATOM 765 C ARG C 10 5.851 1.898 5.734 1.00 0.00 C ATOM 766 O ARG C 10 4.883 2.141 6.454 1.00 0.00 O ATOM 767 CB ARG C 10 7.592 3.637 5.289 1.00 0.00 C ATOM 768 CG ARG C 10 6.621 4.767 5.648 1.00 0.00 C ATOM 769 CD ARG C 10 7.017 6.033 4.889 1.00 0.00 C ATOM 770 NE ARG C 10 6.780 5.866 3.460 1.00 0.00 N ATOM 771 CZ ARG C 10 5.606 6.163 2.914 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.420 5.997 1.632 1.00 0.00 N ATOM 773 NH2 ARG C 10 4.640 6.619 3.656 1.00 0.00 N ATOM 0 H ARG C 10 8.937 1.580 5.161 1.00 0.00 H new ATOM 0 HA ARG C 10 7.267 2.644 7.169 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.618 3.947 5.490 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.529 3.413 4.224 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.601 4.480 5.393 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.641 4.952 6.722 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.444 6.882 5.262 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.069 6.256 5.066 1.00 0.00 H new ATOM 0 HE ARG C 10 7.532 5.514 2.867 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.177 5.639 1.049 1.00 0.00 H new ATOM 0 HH12 ARG C 10 4.518 6.225 1.214 1.00 0.00 H new ATOM 0 HH21 ARG C 10 4.784 6.749 4.657 1.00 0.00 H new ATOM 0 HH22 ARG C 10 3.739 6.847 3.236 1.00 0.00 H new ATOM 787 N CYS C 11 5.755 1.196 4.608 1.00 0.00 N ATOM 788 CA CYS C 11 4.475 0.665 4.157 1.00 0.00 C ATOM 789 C CYS C 11 3.863 -0.225 5.234 1.00 0.00 C ATOM 790 O CYS C 11 2.656 -0.185 5.478 1.00 0.00 O ATOM 791 CB CYS C 11 4.671 -0.138 2.871 1.00 0.00 C ATOM 792 SG CYS C 11 3.055 -0.485 2.129 1.00 0.00 S ATOM 0 H CYS C 11 6.543 0.984 3.996 1.00 0.00 H new ATOM 0 HA CYS C 11 3.798 1.497 3.962 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.293 0.420 2.171 1.00 0.00 H new ATOM 0 HB3 CYS C 11 5.193 -1.070 3.087 1.00 0.00 H new ATOM 797 N LYS C 12 4.701 -1.029 5.874 1.00 0.00 N ATOM 798 CA LYS C 12 4.238 -1.921 6.931 1.00 0.00 C ATOM 799 C LYS C 12 3.661 -1.111 8.089 1.00 0.00 C ATOM 800 O LYS C 12 2.626 -1.462 8.650 1.00 0.00 O ATOM 801 CB LYS C 12 5.392 -2.781 7.429 1.00 0.00 C ATOM 802 CG LYS C 12 4.870 -3.800 8.451 1.00 0.00 C ATOM 803 CD LYS C 12 6.032 -4.632 9.003 1.00 0.00 C ATOM 804 CE LYS C 12 6.511 -5.636 7.949 1.00 0.00 C ATOM 805 NZ LYS C 12 7.471 -6.583 8.572 1.00 0.00 N ATOM 0 H LYS C 12 5.701 -1.083 5.682 1.00 0.00 H new ATOM 0 HA LYS C 12 3.458 -2.567 6.527 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.861 -3.298 6.592 1.00 0.00 H new ATOM 0 HB3 LYS C 12 6.157 -2.153 7.885 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.363 -3.283 9.266 1.00 0.00 H new ATOM 0 HG3 LYS C 12 4.135 -4.454 7.982 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.854 -3.976 9.291 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.716 -5.161 9.902 1.00 0.00 H new ATOM 0 HE2 LYS C 12 5.662 -6.180 7.537 1.00 0.00 H new ATOM 0 HE3 LYS C 12 6.986 -5.111 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 7.798 -7.266 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 8.286 -6.056 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 7.002 -7.092 9.349 1.00 0.00 H new ATOM 819 N LYS C 13 4.349 -0.028 8.446 1.00 0.00 N ATOM 820 CA LYS C 13 3.890 0.821 9.536 1.00 0.00 C ATOM 821 C LYS C 13 2.525 1.413 9.214 1.00 0.00 C ATOM 822 O LYS C 13 1.656 1.499 10.082 1.00 0.00 O ATOM 823 CB LYS C 13 4.898 1.949 9.788 1.00 0.00 C ATOM 824 CG LYS C 13 6.170 1.370 10.409 1.00 0.00 C ATOM 825 CD LYS C 13 7.167 2.500 10.676 1.00 0.00 C ATOM 826 CE LYS C 13 8.428 1.927 11.325 1.00 0.00 C ATOM 827 NZ LYS C 13 9.397 3.028 11.588 1.00 0.00 N ATOM 0 H LYS C 13 5.215 0.277 8.001 1.00 0.00 H new ATOM 0 HA LYS C 13 3.804 0.210 10.435 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.136 2.454 8.852 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.464 2.696 10.452 1.00 0.00 H new ATOM 0 HG2 LYS C 13 5.931 0.854 11.339 1.00 0.00 H new ATOM 0 HG3 LYS C 13 6.611 0.632 9.739 1.00 0.00 H new ATOM 0 HD2 LYS C 13 7.422 3.002 9.743 1.00 0.00 H new ATOM 0 HD3 LYS C 13 6.718 3.249 11.328 1.00 0.00 H new ATOM 0 HE2 LYS C 13 8.173 1.423 12.257 1.00 0.00 H new ATOM 0 HE3 LYS C 13 8.879 1.180 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 10.254 2.638 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 9.649 3.490 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 8.965 3.725 12.227 1.00 0.00 H new ATOM 841 N LEU C 14 2.339 1.822 7.965 1.00 0.00 N ATOM 842 CA LEU C 14 1.073 2.405 7.551 1.00 0.00 C ATOM 843 C LEU C 14 -0.050 1.379 7.673 1.00 0.00 C ATOM 844 O LEU C 14 -1.139 1.693 8.145 1.00 0.00 O ATOM 845 CB LEU C 14 1.178 2.873 6.098 1.00 0.00 C ATOM 846 CG LEU C 14 2.187 4.026 5.997 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.419 4.382 4.520 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.669 5.264 6.751 1.00 0.00 C ATOM 0 H LEU C 14 3.042 1.761 7.229 1.00 0.00 H new ATOM 0 HA LEU C 14 0.848 3.253 8.198 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.492 2.046 5.461 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.202 3.199 5.739 1.00 0.00 H new ATOM 0 HG LEU C 14 3.127 3.708 6.449 1.00 0.00 H new ATOM 0 HD11 LEU C 14 3.135 5.201 4.451 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.811 3.512 3.993 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.476 4.686 4.067 1.00 0.00 H new ATOM 0 HD21 LEU C 14 2.397 6.071 6.669 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.722 5.584 6.317 1.00 0.00 H new ATOM 0 HD23 LEU C 14 1.521 5.015 7.802 1.00 0.00 H new ATOM 860 N LEU C 15 0.231 0.152 7.253 1.00 0.00 N ATOM 861 CA LEU C 15 -0.757 -0.918 7.325 1.00 0.00 C ATOM 862 C LEU C 15 -1.090 -1.244 8.777 1.00 0.00 C ATOM 863 O LEU C 15 -2.239 -1.493 9.124 1.00 0.00 O ATOM 864 CB LEU C 15 -0.223 -2.162 6.621 1.00 0.00 C ATOM 865 CG LEU C 15 -0.120 -1.891 5.113 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.657 -3.030 4.446 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.525 -1.784 4.483 1.00 0.00 C ATOM 0 H LEU C 15 1.130 -0.127 6.861 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.668 -0.585 6.828 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.755 -2.428 7.021 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -0.884 -3.009 6.805 1.00 0.00 H new ATOM 0 HG LEU C 15 0.402 -0.946 4.959 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.732 -2.841 3.375 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.657 -3.088 4.875 1.00 0.00 H new ATOM 0 HD13 LEU C 15 0.135 -3.973 4.612 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.431 -1.592 3.414 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.065 -2.718 4.638 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.073 -0.966 4.952 1.00 0.00 H new ATOM 879 N ASP C 16 -0.066 -1.237 9.620 1.00 0.00 N ATOM 880 CA ASP C 16 -0.246 -1.535 11.036 1.00 0.00 C ATOM 881 C ASP C 16 -1.165 -0.505 11.686 1.00 0.00 C ATOM 882 O ASP C 16 -1.949 -0.829 12.579 1.00 0.00 O ATOM 883 CB ASP C 16 1.105 -1.550 11.752 1.00 0.00 C ATOM 884 CG ASP C 16 1.890 -2.797 11.362 1.00 0.00 C ATOM 885 OD1 ASP C 16 1.298 -3.696 10.788 1.00 0.00 O ATOM 886 OD2 ASP C 16 3.077 -2.839 11.648 1.00 0.00 O ATOM 0 H ASP C 16 0.895 -1.029 9.350 1.00 0.00 H new ATOM 0 HA ASP C 16 -0.704 -2.520 11.123 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.673 -0.657 11.492 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.954 -1.529 12.831 1.00 0.00 H new ATOM 891 N ASP C 17 -1.060 0.736 11.233 1.00 0.00 N ATOM 892 CA ASP C 17 -1.876 1.815 11.771 1.00 0.00 C ATOM 893 C ASP C 17 -3.352 1.553 11.478 1.00 0.00 C ATOM 894 O ASP C 17 -4.228 2.254 11.979 1.00 0.00 O ATOM 895 CB ASP C 17 -1.455 3.152 11.157 1.00 0.00 C ATOM 896 CG ASP C 17 -0.079 3.549 11.679 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.523 4.432 11.088 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.355 2.966 12.658 1.00 0.00 O ATOM 0 H ASP C 17 -0.417 1.021 10.494 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.729 1.859 12.850 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.433 3.073 10.070 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.185 3.923 11.405 1.00 0.00 H new ATOM 903 N SER C 18 -3.623 0.550 10.648 1.00 0.00 N ATOM 904 CA SER C 18 -4.996 0.229 10.288 1.00 0.00 C ATOM 905 C SER C 18 -5.814 -0.091 11.531 1.00 0.00 C ATOM 906 O SER C 18 -7.028 0.104 11.551 1.00 0.00 O ATOM 907 CB SER C 18 -5.014 -0.976 9.344 1.00 0.00 C ATOM 908 OG SER C 18 -4.538 -2.122 10.041 1.00 0.00 O ATOM 0 H SER C 18 -2.917 -0.047 10.217 1.00 0.00 H new ATOM 0 HA SER C 18 -5.435 1.094 9.790 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.026 -1.152 8.978 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.390 -0.780 8.472 1.00 0.00 H new ATOM 0 HG SER C 18 -3.572 -2.212 9.901 1.00 0.00 H new ATOM 914 N SER C 19 -5.141 -0.567 12.560 1.00 0.00 N ATOM 915 CA SER C 19 -5.816 -0.900 13.817 1.00 0.00 C ATOM 916 C SER C 19 -5.955 0.332 14.704 1.00 0.00 C ATOM 917 O SER C 19 -6.732 0.344 15.657 1.00 0.00 O ATOM 918 CB SER C 19 -5.033 -1.978 14.567 1.00 0.00 C ATOM 919 OG SER C 19 -3.791 -1.441 15.000 1.00 0.00 O ATOM 0 H SER C 19 -4.135 -0.734 12.560 1.00 0.00 H new ATOM 0 HA SER C 19 -6.811 -1.273 13.575 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.608 -2.332 15.423 1.00 0.00 H new ATOM 0 HB3 SER C 19 -4.864 -2.838 13.919 1.00 0.00 H new ATOM 0 HG SER C 19 -3.201 -1.316 14.227 1.00 0.00 H new ATOM 925 N SER C 20 -5.201 1.365 14.374 1.00 0.00 N ATOM 926 CA SER C 20 -5.243 2.614 15.136 1.00 0.00 C ATOM 927 C SER C 20 -6.443 3.462 14.722 1.00 0.00 C ATOM 928 O SER C 20 -6.892 3.399 13.579 1.00 0.00 O ATOM 929 CB SER C 20 -3.951 3.406 14.931 1.00 0.00 C ATOM 930 OG SER C 20 -4.109 4.713 15.473 1.00 0.00 O ATOM 0 H SER C 20 -4.552 1.371 13.587 1.00 0.00 H new ATOM 0 HA SER C 20 -5.343 2.363 16.192 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.118 2.897 15.416 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.713 3.467 13.869 1.00 0.00 H new ATOM 0 HG SER C 20 -3.420 5.305 15.105 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.564 0.390 -2.049 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.575 0.872 -1.379 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.481 1.262 -0.034 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.755 1.177 0.644 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.892 0.694 -0.027 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.800 0.301 -1.376 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.471 -0.027 -3.494 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.701 1.783 0.681 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.211 0.607 0.699 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.681 -0.071 -1.898 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.827 1.486 1.687 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.528 0.942 -1.903 1.00 0.00 H new