USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 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 Single : A 1 LYS N :NH3+ -163:sc= -0.0538 (180deg=-0.362) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= -0.0273 (180deg=-0.456) USER MOD Single : A 2 ASN : amide:sc= -2.92 K(o=-2.9,f=-8.6!) USER MOD Single : A 9 THR OG1 : rot 71:sc= 0.0323 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0537 (180deg=-0.513) USER MOD Single : A 18 SER OG : rot -105:sc= 1.01 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -162:sc= -0.0204 (180deg=-0.326) USER MOD Single : B 1 LYS NZ :NH3+ 161:sc= -0.0652 (180deg=-0.477) USER MOD Single : B 2 ASN : amide:sc= -2.74 K(o=-2.7,f=-8.8!) USER MOD Single : B 9 THR OG1 : rot 69:sc= 0.0312 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 160:sc= -0.0608 (180deg=-0.545) USER MOD Single : B 18 SER OG : rot -84:sc= 0.91 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -162:sc= -0.0171 (180deg=-0.332) USER MOD Single : C 1 LYS NZ :NH3+ 161:sc= -0.0205 (180deg=-0.462) USER MOD Single : C 2 ASN : amide:sc= -2.81 K(o=-2.8,f=-8.8!) USER MOD Single : C 9 THR OG1 : rot 72:sc= 0.0372 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ 159:sc= -0.092 (180deg=-0.57) USER MOD Single : C 18 SER OG : rot -77:sc= 0.945 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD Single : C 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.221 4.394 16.821 1.00 0.00 N ATOM 2 CA LYS A 1 -8.406 5.224 16.636 1.00 0.00 C ATOM 3 C LYS A 1 -8.039 6.518 15.922 1.00 0.00 C ATOM 4 O LYS A 1 -8.839 7.451 15.848 1.00 0.00 O ATOM 5 CB LYS A 1 -9.043 5.552 17.989 1.00 0.00 C ATOM 6 CG LYS A 1 -9.609 4.276 18.613 1.00 0.00 C ATOM 7 CD LYS A 1 -10.261 4.612 19.956 1.00 0.00 C ATOM 8 CE LYS A 1 -10.868 3.345 20.559 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.785 2.364 20.846 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.511 3.419 17.037 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.121 4.669 16.028 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.301 5.996 18.653 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.836 6.288 17.860 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.341 3.825 17.944 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.814 3.544 18.755 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.521 5.033 20.637 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.034 5.368 19.818 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.406 3.587 21.475 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.592 2.912 19.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.133 1.650 21.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.496 1.898 19.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.969 2.859 21.259 1.00 0.00 H new ATOM 23 N ASN A 2 -6.818 6.567 15.407 1.00 0.00 N ATOM 24 CA ASN A 2 -6.335 7.754 14.711 1.00 0.00 C ATOM 25 C ASN A 2 -7.122 7.993 13.415 1.00 0.00 C ATOM 26 O ASN A 2 -7.577 7.044 12.780 1.00 0.00 O ATOM 27 CB ASN A 2 -4.845 7.579 14.394 1.00 0.00 C ATOM 28 CG ASN A 2 -4.629 6.336 13.533 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.476 5.442 13.506 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.533 6.222 12.832 1.00 0.00 N ATOM 0 H ASN A 2 -6.145 5.802 15.457 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.479 8.621 15.355 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.471 8.460 13.873 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.277 7.491 15.320 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.377 5.392 12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.833 6.963 12.856 1.00 0.00 H new ATOM 37 N PRO A 3 -7.283 9.236 13.005 1.00 0.00 N ATOM 38 CA PRO A 3 -8.026 9.574 11.750 1.00 0.00 C ATOM 39 C PRO A 3 -7.316 9.054 10.497 1.00 0.00 C ATOM 40 O PRO A 3 -7.928 8.916 9.440 1.00 0.00 O ATOM 41 CB PRO A 3 -8.095 11.113 11.767 1.00 0.00 C ATOM 42 CG PRO A 3 -6.947 11.539 12.623 1.00 0.00 C ATOM 43 CD PRO A 3 -6.790 10.453 13.682 1.00 0.00 C ATOM 0 HA PRO A 3 -9.011 9.108 11.717 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.011 11.524 10.761 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.043 11.462 12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.037 11.643 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.141 12.508 13.083 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.752 10.345 13.995 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.371 10.678 14.576 1.00 0.00 H new ATOM 51 N GLU A 4 -6.024 8.768 10.630 1.00 0.00 N ATOM 52 CA GLU A 4 -5.233 8.263 9.507 1.00 0.00 C ATOM 53 C GLU A 4 -5.752 6.899 9.053 1.00 0.00 C ATOM 54 O GLU A 4 -5.463 6.447 7.943 1.00 0.00 O ATOM 55 CB GLU A 4 -3.762 8.148 9.915 1.00 0.00 C ATOM 56 CG GLU A 4 -3.205 9.540 10.233 1.00 0.00 C ATOM 57 CD GLU A 4 -3.177 10.396 8.970 1.00 0.00 C ATOM 58 OE1 GLU A 4 -3.202 9.827 7.891 1.00 0.00 O ATOM 59 OE2 GLU A 4 -3.130 11.608 9.101 1.00 0.00 O ATOM 0 H GLU A 4 -5.502 8.876 11.500 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.324 8.964 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.666 7.499 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.186 7.690 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.820 10.021 10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.199 9.452 10.644 1.00 0.00 H new ATOM 66 N ALA A 5 -6.523 6.251 9.917 1.00 0.00 N ATOM 67 CA ALA A 5 -7.075 4.939 9.603 1.00 0.00 C ATOM 68 C ALA A 5 -7.929 5.018 8.340 1.00 0.00 C ATOM 69 O ALA A 5 -7.995 4.067 7.561 1.00 0.00 O ATOM 70 CB ALA A 5 -7.928 4.443 10.773 1.00 0.00 C ATOM 0 H ALA A 5 -6.780 6.610 10.837 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.255 4.241 9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.339 3.462 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.310 4.369 11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.743 5.144 10.952 1.00 0.00 H new ATOM 76 N GLU A 6 -8.574 6.158 8.139 1.00 0.00 N ATOM 77 CA GLU A 6 -9.413 6.350 6.963 1.00 0.00 C ATOM 78 C GLU A 6 -8.573 6.249 5.689 1.00 0.00 C ATOM 79 O GLU A 6 -9.030 5.722 4.674 1.00 0.00 O ATOM 80 CB GLU A 6 -10.088 7.721 7.019 1.00 0.00 C ATOM 81 CG GLU A 6 -11.115 7.738 8.153 1.00 0.00 C ATOM 82 CD GLU A 6 -11.749 9.120 8.261 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.349 9.994 7.509 1.00 0.00 O ATOM 84 OE2 GLU A 6 -12.625 9.285 9.094 1.00 0.00 O ATOM 0 H GLU A 6 -8.534 6.959 8.769 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.175 5.571 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.342 8.499 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.576 7.937 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.885 6.989 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.633 7.475 9.095 1.00 0.00 H new ATOM 91 N GLU A 7 -7.346 6.763 5.745 1.00 0.00 N ATOM 92 CA GLU A 7 -6.462 6.727 4.581 1.00 0.00 C ATOM 93 C GLU A 7 -6.165 5.278 4.198 1.00 0.00 C ATOM 94 O GLU A 7 -6.145 4.927 3.018 1.00 0.00 O ATOM 95 CB GLU A 7 -5.151 7.458 4.896 1.00 0.00 C ATOM 96 CG GLU A 7 -4.278 7.527 3.637 1.00 0.00 C ATOM 97 CD GLU A 7 -4.961 8.394 2.581 1.00 0.00 C ATOM 98 OE1 GLU A 7 -4.640 8.240 1.414 1.00 0.00 O ATOM 99 OE2 GLU A 7 -5.792 9.202 2.959 1.00 0.00 O ATOM 0 H GLU A 7 -6.945 7.204 6.572 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.956 7.224 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.363 8.464 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.617 6.939 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.300 7.941 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.110 6.524 3.244 1.00 0.00 H new ATOM 106 N ILE A 8 -5.951 4.436 5.203 1.00 0.00 N ATOM 107 CA ILE A 8 -5.671 3.016 4.959 1.00 0.00 C ATOM 108 C ILE A 8 -6.868 2.361 4.267 1.00 0.00 C ATOM 109 O ILE A 8 -6.706 1.527 3.380 1.00 0.00 O ATOM 110 CB ILE A 8 -5.345 2.292 6.281 1.00 0.00 C ATOM 111 CG1 ILE A 8 -3.891 2.582 6.681 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.523 0.771 6.105 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.612 4.082 6.616 1.00 0.00 C ATOM 0 H ILE A 8 -5.965 4.703 6.187 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.801 2.936 4.307 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.022 2.650 7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.704 2.214 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.211 2.050 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.291 0.267 7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.553 0.556 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.851 0.414 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.578 4.272 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.779 4.439 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.280 4.606 7.299 1.00 0.00 H new ATOM 125 N THR A 9 -8.066 2.730 4.687 1.00 0.00 N ATOM 126 CA THR A 9 -9.268 2.152 4.099 1.00 0.00 C ATOM 127 C THR A 9 -9.306 2.458 2.602 1.00 0.00 C ATOM 128 O THR A 9 -9.628 1.590 1.783 1.00 0.00 O ATOM 129 CB THR A 9 -10.501 2.750 4.780 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.471 2.428 6.163 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.768 2.174 4.148 1.00 0.00 C ATOM 0 H THR A 9 -8.234 3.417 5.422 1.00 0.00 H new ATOM 0 HA THR A 9 -9.261 1.071 4.242 1.00 0.00 H new ATOM 0 HB THR A 9 -10.499 3.833 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.755 2.934 6.601 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.644 2.602 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.788 2.418 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.776 1.091 4.272 1.00 0.00 H new ATOM 139 N ARG A 10 -8.957 3.685 2.243 1.00 0.00 N ATOM 140 CA ARG A 10 -8.943 4.077 0.840 1.00 0.00 C ATOM 141 C ARG A 10 -7.923 3.223 0.082 1.00 0.00 C ATOM 142 O ARG A 10 -8.164 2.800 -1.046 1.00 0.00 O ATOM 143 CB ARG A 10 -8.577 5.554 0.706 1.00 0.00 C ATOM 144 CG ARG A 10 -8.749 5.993 -0.750 1.00 0.00 C ATOM 145 CD ARG A 10 -8.289 7.442 -0.910 1.00 0.00 C ATOM 146 NE ARG A 10 -6.840 7.532 -0.750 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.023 7.264 -1.763 1.00 0.00 C ATOM 148 NH1 ARG A 10 -4.732 7.352 -1.604 1.00 0.00 N ATOM 149 NH2 ARG A 10 -6.517 6.911 -2.919 1.00 0.00 N ATOM 0 H ARG A 10 -8.682 4.420 2.895 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.936 3.922 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.211 6.157 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.548 5.715 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.170 5.343 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.793 5.898 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.578 7.816 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.784 8.072 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.450 7.804 0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.347 7.627 -0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.107 7.146 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.527 6.842 -3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.893 6.705 -3.699 1.00 0.00 H new ATOM 163 N CYS A 11 -6.778 2.976 0.714 1.00 0.00 N ATOM 164 CA CYS A 11 -5.735 2.172 0.089 1.00 0.00 C ATOM 165 C CYS A 11 -6.289 0.812 -0.330 1.00 0.00 C ATOM 166 O CYS A 11 -6.016 0.325 -1.426 1.00 0.00 O ATOM 167 CB CYS A 11 -4.572 1.974 1.062 1.00 0.00 C ATOM 168 SG CYS A 11 -3.257 1.034 0.244 1.00 0.00 S ATOM 0 H CYS A 11 -6.552 3.317 1.648 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.379 2.697 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.192 2.940 1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.914 1.444 1.951 1.00 0.00 H new ATOM 173 N LYS A 12 -7.082 0.206 0.541 1.00 0.00 N ATOM 174 CA LYS A 12 -7.672 -1.092 0.232 1.00 0.00 C ATOM 175 C LYS A 12 -8.564 -0.978 -0.994 1.00 0.00 C ATOM 176 O LYS A 12 -8.593 -1.871 -1.841 1.00 0.00 O ATOM 177 CB LYS A 12 -8.486 -1.598 1.420 1.00 0.00 C ATOM 178 CG LYS A 12 -7.540 -1.968 2.562 1.00 0.00 C ATOM 179 CD LYS A 12 -8.355 -2.468 3.753 1.00 0.00 C ATOM 180 CE LYS A 12 -7.412 -2.856 4.891 1.00 0.00 C ATOM 181 NZ LYS A 12 -8.210 -3.336 6.054 1.00 0.00 N ATOM 0 H LYS A 12 -7.331 0.584 1.455 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.870 -1.801 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.187 -0.831 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.077 -2.466 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.842 -2.739 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.946 -1.102 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.044 -1.692 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.959 -3.326 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.726 -3.636 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.804 -1.999 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.569 -3.600 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.847 -2.579 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.772 -4.164 5.771 1.00 0.00 H new ATOM 195 N LYS A 13 -9.289 0.128 -1.086 1.00 0.00 N ATOM 196 CA LYS A 13 -10.179 0.349 -2.219 1.00 0.00 C ATOM 197 C LYS A 13 -9.386 0.364 -3.527 1.00 0.00 C ATOM 198 O LYS A 13 -9.857 -0.139 -4.548 1.00 0.00 O ATOM 199 CB LYS A 13 -10.928 1.675 -2.057 1.00 0.00 C ATOM 200 CG LYS A 13 -11.938 1.838 -3.195 1.00 0.00 C ATOM 201 CD LYS A 13 -12.719 3.139 -3.003 1.00 0.00 C ATOM 202 CE LYS A 13 -13.719 3.313 -4.149 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.710 2.200 -4.116 1.00 0.00 N ATOM 0 H LYS A 13 -9.280 0.880 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.901 -0.467 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.441 1.699 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.222 2.506 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.421 1.850 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.622 0.990 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.244 3.122 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.033 3.986 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.230 4.272 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.195 3.320 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.554 2.470 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.287 1.346 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.981 2.006 -3.131 1.00 0.00 H new ATOM 217 N LEU A 14 -8.192 0.953 -3.497 1.00 0.00 N ATOM 218 CA LEU A 14 -7.362 1.039 -4.701 1.00 0.00 C ATOM 219 C LEU A 14 -7.004 -0.358 -5.203 1.00 0.00 C ATOM 220 O LEU A 14 -7.105 -0.640 -6.396 1.00 0.00 O ATOM 221 CB LEU A 14 -6.062 1.783 -4.361 1.00 0.00 C ATOM 222 CG LEU A 14 -6.348 3.272 -4.074 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.108 3.948 -3.439 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.699 4.003 -5.382 1.00 0.00 C ATOM 0 H LEU A 14 -7.780 1.374 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.919 1.568 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.590 1.324 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.359 1.695 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.187 3.331 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.326 4.998 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.860 3.448 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.263 3.875 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.899 5.053 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.863 3.926 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.584 3.548 -5.827 1.00 0.00 H new ATOM 236 N LEU A 15 -6.613 -1.235 -4.286 1.00 0.00 N ATOM 237 CA LEU A 15 -6.274 -2.611 -4.655 1.00 0.00 C ATOM 238 C LEU A 15 -7.521 -3.375 -5.109 1.00 0.00 C ATOM 239 O LEU A 15 -7.464 -4.196 -6.023 1.00 0.00 O ATOM 240 CB LEU A 15 -5.589 -3.329 -3.484 1.00 0.00 C ATOM 241 CG LEU A 15 -4.103 -2.938 -3.441 1.00 0.00 C ATOM 242 CD1 LEU A 15 -3.968 -1.417 -3.377 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.444 -3.548 -2.205 1.00 0.00 C ATOM 0 H LEU A 15 -6.522 -1.025 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.576 -2.579 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.074 -3.061 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.689 -4.409 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.614 -3.311 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.913 -1.146 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.431 -0.973 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.464 -1.045 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.391 -3.268 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.940 -3.178 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.530 -4.634 -2.245 1.00 0.00 H new ATOM 255 N ASP A 16 -8.643 -3.104 -4.455 1.00 0.00 N ATOM 256 CA ASP A 16 -9.898 -3.777 -4.778 1.00 0.00 C ATOM 257 C ASP A 16 -10.310 -3.483 -6.219 1.00 0.00 C ATOM 258 O ASP A 16 -10.831 -4.354 -6.918 1.00 0.00 O ATOM 259 CB ASP A 16 -10.997 -3.302 -3.828 1.00 0.00 C ATOM 260 CG ASP A 16 -10.754 -3.862 -2.431 1.00 0.00 C ATOM 261 OD1 ASP A 16 -9.935 -4.757 -2.307 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.389 -3.385 -1.504 1.00 0.00 O ATOM 0 H ASP A 16 -8.712 -2.424 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.754 -4.852 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.015 -2.213 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.971 -3.626 -4.194 1.00 0.00 H new ATOM 267 N ASP A 17 -10.075 -2.256 -6.659 1.00 0.00 N ATOM 268 CA ASP A 17 -10.425 -1.859 -8.018 1.00 0.00 C ATOM 269 C ASP A 17 -9.568 -2.611 -9.033 1.00 0.00 C ATOM 270 O ASP A 17 -9.826 -2.562 -10.235 1.00 0.00 O ATOM 271 CB ASP A 17 -10.233 -0.353 -8.197 1.00 0.00 C ATOM 272 CG ASP A 17 -11.313 0.405 -7.434 1.00 0.00 C ATOM 273 OD1 ASP A 17 -12.276 -0.226 -7.025 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.166 1.604 -7.273 1.00 0.00 O ATOM 0 H ASP A 17 -9.645 -1.520 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.473 -2.108 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.247 -0.059 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.276 -0.096 -9.255 1.00 0.00 H new ATOM 279 N SER A 18 -8.540 -3.293 -8.543 1.00 0.00 N ATOM 280 CA SER A 18 -7.639 -4.038 -9.413 1.00 0.00 C ATOM 281 C SER A 18 -8.388 -5.113 -10.181 1.00 0.00 C ATOM 282 O SER A 18 -7.918 -5.602 -11.208 1.00 0.00 O ATOM 283 CB SER A 18 -6.541 -4.695 -8.581 1.00 0.00 C ATOM 284 OG SER A 18 -7.110 -5.727 -7.788 1.00 0.00 O ATOM 0 H SER A 18 -8.310 -3.346 -7.551 1.00 0.00 H new ATOM 0 HA SER A 18 -7.201 -3.337 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.770 -5.105 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.059 -3.954 -7.943 1.00 0.00 H new ATOM 0 HG SER A 18 -7.170 -5.428 -6.857 1.00 0.00 H new ATOM 290 N SER A 19 -9.549 -5.477 -9.674 1.00 0.00 N ATOM 291 CA SER A 19 -10.364 -6.504 -10.318 1.00 0.00 C ATOM 292 C SER A 19 -11.143 -5.915 -11.484 1.00 0.00 C ATOM 293 O SER A 19 -11.661 -6.639 -12.334 1.00 0.00 O ATOM 294 CB SER A 19 -11.336 -7.110 -9.306 1.00 0.00 C ATOM 295 OG SER A 19 -10.601 -7.783 -8.292 1.00 0.00 O ATOM 0 H SER A 19 -9.953 -5.084 -8.824 1.00 0.00 H new ATOM 0 HA SER A 19 -9.702 -7.283 -10.696 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.954 -6.328 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.011 -7.806 -9.805 1.00 0.00 H new ATOM 0 HG SER A 19 -11.222 -8.171 -7.641 1.00 0.00 H new ATOM 301 N SER A 20 -11.206 -4.597 -11.520 1.00 0.00 N ATOM 302 CA SER A 20 -11.907 -3.893 -12.590 1.00 0.00 C ATOM 303 C SER A 20 -11.033 -3.805 -13.837 1.00 0.00 C ATOM 304 O SER A 20 -9.805 -3.779 -13.746 1.00 0.00 O ATOM 305 CB SER A 20 -12.296 -2.487 -12.134 1.00 0.00 C ATOM 306 OG SER A 20 -13.035 -2.575 -10.922 1.00 0.00 O ATOM 0 H SER A 20 -10.781 -3.987 -10.822 1.00 0.00 H new ATOM 0 HA SER A 20 -12.810 -4.453 -12.832 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.403 -1.880 -11.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.892 -1.995 -12.902 1.00 0.00 H new ATOM 0 HG SER A 20 -13.285 -1.675 -10.625 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -11.671 -3.753 -14.999 1.00 0.00 N ATOM 314 CA LYS B 1 -10.940 -3.658 -16.257 1.00 0.00 C ATOM 315 C LYS B 1 -10.375 -2.254 -16.438 1.00 0.00 C ATOM 316 O LYS B 1 -9.906 -1.894 -17.516 1.00 0.00 O ATOM 317 CB LYS B 1 -11.861 -3.991 -17.432 1.00 0.00 C ATOM 318 CG LYS B 1 -12.251 -5.469 -17.374 1.00 0.00 C ATOM 319 CD LYS B 1 -13.160 -5.803 -18.559 1.00 0.00 C ATOM 320 CE LYS B 1 -13.510 -7.291 -18.529 1.00 0.00 C ATOM 321 NZ LYS B 1 -14.290 -7.593 -17.296 1.00 0.00 N ATOM 0 H3 LYS B 1 -11.786 -4.753 -14.739 1.00 0.00 H new ATOM 0 HA LYS B 1 -10.118 -4.374 -16.230 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -12.754 -3.367 -17.396 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -11.358 -3.774 -18.374 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -11.358 -6.093 -17.400 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -12.764 -5.684 -16.436 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -14.069 -5.204 -18.514 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -12.661 -5.555 -19.496 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -14.089 -7.557 -19.413 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.600 -7.890 -18.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -14.797 -8.493 -17.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.643 -7.666 -16.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -14.976 -6.830 -17.124 1.00 0.00 H new ATOM 335 N ASN B 2 -10.437 -1.464 -15.373 1.00 0.00 N ATOM 336 CA ASN B 2 -9.945 -0.091 -15.418 1.00 0.00 C ATOM 337 C ASN B 2 -8.424 -0.053 -15.622 1.00 0.00 C ATOM 338 O ASN B 2 -7.713 -0.952 -15.176 1.00 0.00 O ATOM 339 CB ASN B 2 -10.317 0.617 -14.109 1.00 0.00 C ATOM 340 CG ASN B 2 -9.721 -0.127 -12.918 1.00 0.00 C ATOM 341 OD1 ASN B 2 -9.391 -1.309 -13.023 1.00 0.00 O ATOM 342 ND2 ASN B 2 -9.572 0.496 -11.780 1.00 0.00 N ATOM 0 H ASN B 2 -10.821 -1.748 -14.472 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.407 0.420 -16.263 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.951 1.643 -14.126 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.401 0.667 -14.010 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -9.182 0.004 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.846 1.475 -11.695 1.00 0.00 H new ATOM 349 N PRO B 3 -7.908 0.969 -16.276 1.00 0.00 N ATOM 350 CA PRO B 3 -6.437 1.105 -16.520 1.00 0.00 C ATOM 351 C PRO B 3 -5.652 1.302 -15.219 1.00 0.00 C ATOM 352 O PRO B 3 -4.444 1.075 -15.174 1.00 0.00 O ATOM 353 CB PRO B 3 -6.328 2.334 -17.442 1.00 0.00 C ATOM 354 CG PRO B 3 -7.568 3.123 -17.175 1.00 0.00 C ATOM 355 CD PRO B 3 -8.655 2.100 -16.864 1.00 0.00 C ATOM 0 HA PRO B 3 -6.008 0.207 -16.964 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.433 2.916 -17.221 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -6.265 2.038 -18.489 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.424 3.806 -16.338 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.838 3.730 -18.039 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -9.393 2.498 -16.168 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.193 1.801 -17.763 1.00 0.00 H new ATOM 363 N GLU B 4 -6.352 1.723 -14.169 1.00 0.00 N ATOM 364 CA GLU B 4 -5.719 1.951 -12.871 1.00 0.00 C ATOM 365 C GLU B 4 -5.170 0.642 -12.304 1.00 0.00 C ATOM 366 O GLU B 4 -4.324 0.643 -11.407 1.00 0.00 O ATOM 367 CB GLU B 4 -6.735 2.549 -11.893 1.00 0.00 C ATOM 368 CG GLU B 4 -7.178 3.928 -12.392 1.00 0.00 C ATOM 369 CD GLU B 4 -6.006 4.905 -12.349 1.00 0.00 C ATOM 370 OE1 GLU B 4 -5.058 4.632 -11.630 1.00 0.00 O ATOM 371 OE2 GLU B 4 -6.073 5.911 -13.037 1.00 0.00 O ATOM 0 H GLU B 4 -7.354 1.913 -14.190 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.892 2.648 -13.007 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.598 1.890 -11.801 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -6.293 2.635 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -7.558 3.849 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.995 4.301 -11.774 1.00 0.00 H new ATOM 378 N ALA B 5 -5.651 -0.473 -12.838 1.00 0.00 N ATOM 379 CA ALA B 5 -5.211 -1.785 -12.381 1.00 0.00 C ATOM 380 C ALA B 5 -3.700 -1.922 -12.553 1.00 0.00 C ATOM 381 O ALA B 5 -3.031 -2.586 -11.762 1.00 0.00 O ATOM 382 CB ALA B 5 -5.924 -2.878 -13.180 1.00 0.00 C ATOM 0 H ALA B 5 -6.344 -0.496 -13.586 1.00 0.00 H new ATOM 0 HA ALA B 5 -5.458 -1.892 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -5.592 -3.857 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -7.001 -2.789 -13.037 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.688 -2.768 -14.238 1.00 0.00 H new ATOM 388 N GLU B 6 -3.168 -1.285 -13.587 1.00 0.00 N ATOM 389 CA GLU B 6 -1.736 -1.338 -13.846 1.00 0.00 C ATOM 390 C GLU B 6 -0.962 -0.724 -12.680 1.00 0.00 C ATOM 391 O GLU B 6 0.116 -1.198 -12.320 1.00 0.00 O ATOM 392 CB GLU B 6 -1.406 -0.577 -15.132 1.00 0.00 C ATOM 393 CG GLU B 6 -1.979 -1.333 -16.332 1.00 0.00 C ATOM 394 CD GLU B 6 -1.715 -0.552 -17.614 1.00 0.00 C ATOM 395 OE1 GLU B 6 -1.149 0.525 -17.522 1.00 0.00 O ATOM 396 OE2 GLU B 6 -2.082 -1.041 -18.669 1.00 0.00 O ATOM 0 H GLU B 6 -3.702 -0.729 -14.256 1.00 0.00 H new ATOM 0 HA GLU B 6 -1.444 -2.382 -13.958 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.823 0.429 -15.089 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -0.326 -0.470 -15.237 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.526 -2.322 -16.399 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -3.051 -1.481 -16.201 1.00 0.00 H new ATOM 403 N GLU B 7 -1.513 0.338 -12.097 1.00 0.00 N ATOM 404 CA GLU B 7 -0.853 1.008 -10.977 1.00 0.00 C ATOM 405 C GLU B 7 -0.727 0.043 -9.798 1.00 0.00 C ATOM 406 O GLU B 7 0.303 -0.003 -9.126 1.00 0.00 O ATOM 407 CB GLU B 7 -1.660 2.242 -10.553 1.00 0.00 C ATOM 408 CG GLU B 7 -0.903 3.010 -9.464 1.00 0.00 C ATOM 409 CD GLU B 7 0.396 3.574 -10.036 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.298 3.844 -9.261 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.465 3.729 -11.245 1.00 0.00 O ATOM 0 H GLU B 7 -2.403 0.750 -12.376 1.00 0.00 H new ATOM 0 HA GLU B 7 0.142 1.325 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.832 2.888 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.639 1.938 -10.182 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.523 3.820 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.685 2.349 -8.625 1.00 0.00 H new ATOM 418 N ILE B 8 -1.776 -0.738 -9.563 1.00 0.00 N ATOM 419 CA ILE B 8 -1.768 -1.717 -8.469 1.00 0.00 C ATOM 420 C ILE B 8 -0.666 -2.753 -8.706 1.00 0.00 C ATOM 421 O ILE B 8 0.007 -3.184 -7.773 1.00 0.00 O ATOM 422 CB ILE B 8 -3.141 -2.405 -8.344 1.00 0.00 C ATOM 423 CG1 ILE B 8 -4.115 -1.476 -7.602 1.00 0.00 C ATOM 424 CG2 ILE B 8 -3.002 -3.721 -7.554 1.00 0.00 C ATOM 425 CD1 ILE B 8 -4.085 -0.079 -8.216 1.00 0.00 C ATOM 0 H ILE B 8 -2.638 -0.717 -10.107 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.566 -1.196 -7.533 1.00 0.00 H new ATOM 0 HB ILE B 8 -3.521 -2.620 -9.343 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -5.125 -1.882 -7.653 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.846 -1.423 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.977 -4.200 -7.471 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -2.314 -4.387 -8.075 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.616 -3.508 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.779 0.569 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.077 0.330 -8.142 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.377 -0.136 -9.265 1.00 0.00 H new ATOM 437 N THR B 9 -0.501 -3.164 -9.952 1.00 0.00 N ATOM 438 CA THR B 9 0.510 -4.161 -10.276 1.00 0.00 C ATOM 439 C THR B 9 1.893 -3.637 -9.891 1.00 0.00 C ATOM 440 O THR B 9 2.715 -4.362 -9.321 1.00 0.00 O ATOM 441 CB THR B 9 0.469 -4.454 -11.777 1.00 0.00 C ATOM 442 OG1 THR B 9 -0.807 -4.977 -12.116 1.00 0.00 O ATOM 443 CG2 THR B 9 1.552 -5.475 -12.133 1.00 0.00 C ATOM 0 H THR B 9 -1.045 -2.829 -10.747 1.00 0.00 H new ATOM 0 HA THR B 9 0.308 -5.077 -9.721 1.00 0.00 H new ATOM 0 HB THR B 9 0.648 -3.534 -12.333 1.00 0.00 H new ATOM 0 HG1 THR B 9 -1.483 -4.272 -12.030 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.520 -5.681 -13.203 1.00 0.00 H new ATOM 0 HG22 THR B 9 2.531 -5.074 -11.870 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.378 -6.398 -11.580 1.00 0.00 H new ATOM 451 N ARG B 10 2.142 -2.368 -10.183 1.00 0.00 N ATOM 452 CA ARG B 10 3.423 -1.761 -9.848 1.00 0.00 C ATOM 453 C ARG B 10 3.609 -1.779 -8.330 1.00 0.00 C ATOM 454 O ARG B 10 4.701 -2.035 -7.828 1.00 0.00 O ATOM 455 CB ARG B 10 3.476 -0.321 -10.359 1.00 0.00 C ATOM 456 CG ARG B 10 4.887 0.240 -10.152 1.00 0.00 C ATOM 457 CD ARG B 10 4.923 1.710 -10.572 1.00 0.00 C ATOM 458 NE ARG B 10 4.154 2.523 -9.635 1.00 0.00 N ATOM 459 CZ ARG B 10 4.693 2.939 -8.493 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.995 3.666 -7.665 1.00 0.00 N ATOM 461 NH2 ARG B 10 5.925 2.619 -8.202 1.00 0.00 N ATOM 0 H ARG B 10 1.482 -1.744 -10.646 1.00 0.00 H new ATOM 0 HA ARG B 10 4.223 -2.329 -10.322 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.211 -0.288 -11.416 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.747 0.292 -9.829 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.178 0.143 -9.106 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.606 -0.333 -10.737 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.955 2.060 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.516 1.818 -11.577 1.00 0.00 H new ATOM 0 HE ARG B 10 3.191 2.775 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG B 10 3.033 3.917 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG B 10 4.411 3.984 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.471 2.051 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG B 10 6.341 2.937 -7.327 1.00 0.00 H new ATOM 475 N CYS B 11 2.532 -1.498 -7.602 1.00 0.00 N ATOM 476 CA CYS B 11 2.592 -1.489 -6.143 1.00 0.00 C ATOM 477 C CYS B 11 3.127 -2.819 -5.620 1.00 0.00 C ATOM 478 O CYS B 11 3.967 -2.857 -4.723 1.00 0.00 O ATOM 479 CB CYS B 11 1.201 -1.235 -5.563 1.00 0.00 C ATOM 480 SG CYS B 11 1.312 -1.149 -3.757 1.00 0.00 S ATOM 0 H CYS B 11 1.616 -1.276 -7.993 1.00 0.00 H new ATOM 0 HA CYS B 11 3.266 -0.691 -5.832 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.794 -0.304 -5.959 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.520 -2.032 -5.859 1.00 0.00 H new ATOM 485 N LYS B 12 2.650 -3.914 -6.197 1.00 0.00 N ATOM 486 CA LYS B 12 3.103 -5.233 -5.777 1.00 0.00 C ATOM 487 C LYS B 12 4.601 -5.366 -6.013 1.00 0.00 C ATOM 488 O LYS B 12 5.320 -5.947 -5.202 1.00 0.00 O ATOM 489 CB LYS B 12 2.359 -6.317 -6.550 1.00 0.00 C ATOM 490 CG LYS B 12 0.899 -6.347 -6.098 1.00 0.00 C ATOM 491 CD LYS B 12 0.149 -7.426 -6.877 1.00 0.00 C ATOM 492 CE LYS B 12 -1.308 -7.468 -6.416 1.00 0.00 C ATOM 493 NZ LYS B 12 -2.038 -8.517 -7.182 1.00 0.00 N ATOM 0 H LYS B 12 1.959 -3.917 -6.947 1.00 0.00 H new ATOM 0 HA LYS B 12 2.896 -5.353 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.416 -6.121 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.825 -7.287 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.842 -6.549 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.435 -5.375 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.197 -7.218 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.619 -8.397 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.357 -7.681 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -1.778 -6.497 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -3.030 -8.548 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -2.001 -8.295 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -1.594 -9.442 -7.014 1.00 0.00 H new ATOM 507 N LYS B 13 5.065 -4.819 -7.127 1.00 0.00 N ATOM 508 CA LYS B 13 6.484 -4.879 -7.459 1.00 0.00 C ATOM 509 C LYS B 13 7.316 -4.187 -6.378 1.00 0.00 C ATOM 510 O LYS B 13 8.407 -4.646 -6.038 1.00 0.00 O ATOM 511 CB LYS B 13 6.743 -4.213 -8.813 1.00 0.00 C ATOM 512 CG LYS B 13 8.214 -4.384 -9.199 1.00 0.00 C ATOM 513 CD LYS B 13 8.457 -3.763 -10.575 1.00 0.00 C ATOM 514 CE LYS B 13 9.930 -3.919 -10.955 1.00 0.00 C ATOM 515 NZ LYS B 13 10.265 -5.367 -11.059 1.00 0.00 N ATOM 0 H LYS B 13 4.487 -4.332 -7.812 1.00 0.00 H new ATOM 0 HA LYS B 13 6.777 -5.927 -7.515 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.103 -4.657 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.491 -3.154 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS B 13 8.854 -3.908 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.476 -5.442 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS B 13 7.826 -4.247 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.184 -2.708 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.127 -3.420 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.562 -3.441 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 11.128 -5.484 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.423 -5.756 -10.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.479 -5.873 -11.514 1.00 0.00 H new ATOM 529 N LEU B 14 6.805 -3.075 -5.851 1.00 0.00 N ATOM 530 CA LEU B 14 7.534 -2.325 -4.824 1.00 0.00 C ATOM 531 C LEU B 14 7.744 -3.186 -3.581 1.00 0.00 C ATOM 532 O LEU B 14 8.843 -3.236 -3.031 1.00 0.00 O ATOM 533 CB LEU B 14 6.711 -1.090 -4.427 1.00 0.00 C ATOM 534 CG LEU B 14 6.666 -0.072 -5.586 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.605 1.019 -5.304 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.041 0.599 -5.749 1.00 0.00 C ATOM 0 H LEU B 14 5.903 -2.676 -6.112 1.00 0.00 H new ATOM 0 HA LEU B 14 8.503 -2.031 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.698 -1.392 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.147 -0.624 -3.543 1.00 0.00 H new ATOM 0 HG LEU B 14 6.404 -0.604 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.585 1.730 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.624 0.555 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.857 1.542 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.001 1.316 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.305 1.117 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.793 -0.160 -5.967 1.00 0.00 H new ATOM 548 N LEU B 15 6.696 -3.884 -3.159 1.00 0.00 N ATOM 549 CA LEU B 15 6.796 -4.765 -1.995 1.00 0.00 C ATOM 550 C LEU B 15 7.697 -5.965 -2.295 1.00 0.00 C ATOM 551 O LEU B 15 8.444 -6.429 -1.436 1.00 0.00 O ATOM 552 CB LEU B 15 5.402 -5.225 -1.546 1.00 0.00 C ATOM 553 CG LEU B 15 4.744 -4.124 -0.702 1.00 0.00 C ATOM 554 CD1 LEU B 15 4.726 -2.811 -1.485 1.00 0.00 C ATOM 555 CD2 LEU B 15 3.307 -4.521 -0.365 1.00 0.00 C ATOM 0 H LEU B 15 5.776 -3.860 -3.598 1.00 0.00 H new ATOM 0 HA LEU B 15 7.249 -4.202 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.784 -5.449 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.481 -6.144 -0.966 1.00 0.00 H new ATOM 0 HG LEU B 15 5.316 -3.995 0.217 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.258 -2.034 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.748 -2.517 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.160 -2.945 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.844 -3.737 0.234 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.741 -4.656 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.310 -5.454 0.198 1.00 0.00 H new ATOM 567 N ASP B 16 7.609 -6.469 -3.520 1.00 0.00 N ATOM 568 CA ASP B 16 8.402 -7.627 -3.928 1.00 0.00 C ATOM 569 C ASP B 16 9.894 -7.318 -3.836 1.00 0.00 C ATOM 570 O ASP B 16 10.694 -8.173 -3.451 1.00 0.00 O ATOM 571 CB ASP B 16 8.050 -8.013 -5.365 1.00 0.00 C ATOM 572 CG ASP B 16 6.655 -8.625 -5.412 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.134 -8.948 -4.358 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.125 -8.760 -6.504 1.00 0.00 O ATOM 0 H ASP B 16 6.999 -6.097 -4.248 1.00 0.00 H new ATOM 0 HA ASP B 16 8.174 -8.456 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.092 -7.134 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP B 16 8.781 -8.724 -5.749 1.00 0.00 H new ATOM 579 N ASP B 17 10.265 -6.095 -4.187 1.00 0.00 N ATOM 580 CA ASP B 17 11.664 -5.684 -4.137 1.00 0.00 C ATOM 581 C ASP B 17 12.161 -5.648 -2.695 1.00 0.00 C ATOM 582 O ASP B 17 13.357 -5.506 -2.443 1.00 0.00 O ATOM 583 CB ASP B 17 11.835 -4.306 -4.775 1.00 0.00 C ATOM 584 CG ASP B 17 11.662 -4.407 -6.287 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.675 -5.518 -6.793 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.526 -3.372 -6.917 1.00 0.00 O ATOM 0 H ASP B 17 9.622 -5.372 -4.508 1.00 0.00 H new ATOM 0 HA ASP B 17 12.253 -6.412 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP B 17 11.103 -3.612 -4.362 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.821 -3.907 -4.539 1.00 0.00 H new ATOM 591 N SER B 18 11.234 -5.765 -1.752 1.00 0.00 N ATOM 592 CA SER B 18 11.581 -5.729 -0.336 1.00 0.00 C ATOM 593 C SER B 18 12.528 -6.860 0.018 1.00 0.00 C ATOM 594 O SER B 18 13.217 -6.813 1.038 1.00 0.00 O ATOM 595 CB SER B 18 10.317 -5.851 0.510 1.00 0.00 C ATOM 596 OG SER B 18 9.784 -7.160 0.366 1.00 0.00 O ATOM 0 H SER B 18 10.239 -5.885 -1.941 1.00 0.00 H new ATOM 0 HA SER B 18 12.075 -4.779 -0.131 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.545 -5.651 1.557 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.582 -5.109 0.197 1.00 0.00 H new ATOM 0 HG SER B 18 9.225 -7.199 -0.438 1.00 0.00 H new ATOM 602 N SER B 19 12.554 -7.874 -0.824 1.00 0.00 N ATOM 603 CA SER B 19 13.422 -9.025 -0.592 1.00 0.00 C ATOM 604 C SER B 19 14.845 -8.719 -1.032 1.00 0.00 C ATOM 605 O SER B 19 15.788 -9.423 -0.671 1.00 0.00 O ATOM 606 CB SER B 19 12.897 -10.238 -1.361 1.00 0.00 C ATOM 607 OG SER B 19 11.628 -10.612 -0.840 1.00 0.00 O ATOM 0 H SER B 19 11.990 -7.930 -1.672 1.00 0.00 H new ATOM 0 HA SER B 19 13.424 -9.245 0.476 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.812 -10.002 -2.422 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.597 -11.069 -1.275 1.00 0.00 H new ATOM 0 HG SER B 19 11.288 -11.388 -1.332 1.00 0.00 H new ATOM 613 N SER B 20 14.988 -7.654 -1.800 1.00 0.00 N ATOM 614 CA SER B 20 16.300 -7.232 -2.284 1.00 0.00 C ATOM 615 C SER B 20 17.043 -6.454 -1.201 1.00 0.00 C ATOM 616 O SER B 20 16.425 -5.802 -0.359 1.00 0.00 O ATOM 617 CB SER B 20 16.149 -6.363 -3.532 1.00 0.00 C ATOM 618 OG SER B 20 15.365 -7.058 -4.495 1.00 0.00 O ATOM 0 H SER B 20 14.215 -7.062 -2.105 1.00 0.00 H new ATOM 0 HA SER B 20 16.876 -8.122 -2.537 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.675 -5.416 -3.275 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.129 -6.127 -3.946 1.00 0.00 H new ATOM 0 HG SER B 20 15.264 -6.503 -5.297 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 18.368 -6.521 -1.231 1.00 0.00 N ATOM 626 CA LYS C 1 19.182 -5.809 -0.249 1.00 0.00 C ATOM 627 C LYS C 1 19.191 -4.316 -0.551 1.00 0.00 C ATOM 628 O LYS C 1 19.979 -3.561 0.018 1.00 0.00 O ATOM 629 CB LYS C 1 20.617 -6.341 -0.265 1.00 0.00 C ATOM 630 CG LYS C 1 20.637 -7.780 0.254 1.00 0.00 C ATOM 631 CD LYS C 1 22.074 -8.303 0.252 1.00 0.00 C ATOM 632 CE LYS C 1 22.101 -9.724 0.815 1.00 0.00 C ATOM 633 NZ LYS C 1 21.320 -10.627 -0.077 1.00 0.00 N ATOM 0 H3 LYS C 1 18.117 -7.459 -0.859 1.00 0.00 H new ATOM 0 HA LYS C 1 18.749 -5.972 0.738 1.00 0.00 H new ATOM 0 HB2 LYS C 1 21.018 -6.303 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.256 -5.711 0.354 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.226 -7.820 1.263 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.008 -8.412 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.474 -8.295 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.710 -7.651 0.851 1.00 0.00 H new ATOM 0 HE2 LYS C 1 23.130 -10.075 0.895 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.681 -9.736 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 21.591 -11.614 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 20.304 -10.507 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 21.519 -10.391 -1.070 1.00 0.00 H new ATOM 647 N ASN C 2 18.316 -3.904 -1.458 1.00 0.00 N ATOM 648 CA ASN C 2 18.234 -2.501 -1.852 1.00 0.00 C ATOM 649 C ASN C 2 17.761 -1.625 -0.682 1.00 0.00 C ATOM 650 O ASN C 2 16.992 -2.078 0.165 1.00 0.00 O ATOM 651 CB ASN C 2 17.264 -2.370 -3.032 1.00 0.00 C ATOM 652 CG ASN C 2 15.886 -2.903 -2.646 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.761 -3.685 -1.703 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.839 -2.533 -3.334 1.00 0.00 N ATOM 0 H ASN C 2 17.655 -4.517 -1.934 1.00 0.00 H new ATOM 0 HA ASN C 2 19.226 -2.158 -2.146 1.00 0.00 H new ATOM 0 HB2 ASN C 2 17.186 -1.325 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.648 -2.922 -3.890 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.916 -2.892 -3.090 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.945 -1.885 -4.115 1.00 0.00 H new ATOM 661 N PRO C 3 18.192 -0.381 -0.622 1.00 0.00 N ATOM 662 CA PRO C 3 17.783 0.557 0.472 1.00 0.00 C ATOM 663 C PRO C 3 16.287 0.880 0.424 1.00 0.00 C ATOM 664 O PRO C 3 15.709 1.322 1.416 1.00 0.00 O ATOM 665 CB PRO C 3 18.645 1.810 0.223 1.00 0.00 C ATOM 666 CG PRO C 3 18.996 1.753 -1.228 1.00 0.00 C ATOM 667 CD PRO C 3 19.120 0.271 -1.570 1.00 0.00 C ATOM 0 HA PRO C 3 17.938 0.130 1.463 1.00 0.00 H new ATOM 0 HB2 PRO C 3 18.096 2.721 0.461 1.00 0.00 H new ATOM 0 HB3 PRO C 3 19.539 1.805 0.846 1.00 0.00 H new ATOM 0 HG2 PRO C 3 18.227 2.231 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.930 2.279 -1.425 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.841 0.073 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO C 3 20.142 -0.086 -1.441 1.00 0.00 H new ATOM 675 N GLU C 4 15.672 0.653 -0.734 1.00 0.00 N ATOM 676 CA GLU C 4 14.244 0.920 -0.907 1.00 0.00 C ATOM 677 C GLU C 4 13.415 0.016 0.003 1.00 0.00 C ATOM 678 O GLU C 4 12.239 0.283 0.264 1.00 0.00 O ATOM 679 CB GLU C 4 13.844 0.690 -2.367 1.00 0.00 C ATOM 680 CG GLU C 4 14.575 1.691 -3.266 1.00 0.00 C ATOM 681 CD GLU C 4 14.095 3.110 -2.972 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.019 3.246 -2.412 1.00 0.00 O ATOM 683 OE2 GLU C 4 14.810 4.038 -3.310 1.00 0.00 O ATOM 0 H GLU C 4 16.137 0.286 -1.565 1.00 0.00 H new ATOM 0 HA GLU C 4 14.051 1.958 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU C 4 14.090 -0.329 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.766 0.804 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU C 4 15.650 1.621 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.396 1.448 -4.314 1.00 0.00 H new ATOM 690 N ALA C 5 14.033 -1.053 0.487 1.00 0.00 N ATOM 691 CA ALA C 5 13.348 -1.993 1.364 1.00 0.00 C ATOM 692 C ALA C 5 12.835 -1.271 2.607 1.00 0.00 C ATOM 693 O ALA C 5 11.792 -1.624 3.158 1.00 0.00 O ATOM 694 CB ALA C 5 14.306 -3.113 1.771 1.00 0.00 C ATOM 0 H ALA C 5 15.005 -1.291 0.288 1.00 0.00 H new ATOM 0 HA ALA C 5 12.500 -2.423 0.831 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.789 -3.814 2.427 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.652 -3.638 0.880 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.161 -2.687 2.296 1.00 0.00 H new ATOM 700 N GLU C 6 13.571 -0.259 3.042 1.00 0.00 N ATOM 701 CA GLU C 6 13.176 0.510 4.216 1.00 0.00 C ATOM 702 C GLU C 6 11.832 1.196 3.976 1.00 0.00 C ATOM 703 O GLU C 6 11.008 1.304 4.885 1.00 0.00 O ATOM 704 CB GLU C 6 14.237 1.566 4.532 1.00 0.00 C ATOM 705 CG GLU C 6 15.515 0.877 5.014 1.00 0.00 C ATOM 706 CD GLU C 6 16.601 1.916 5.270 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.346 3.084 5.026 1.00 0.00 O ATOM 708 OE2 GLU C 6 17.673 1.529 5.704 1.00 0.00 O ATOM 0 H GLU C 6 14.439 0.048 2.604 1.00 0.00 H new ATOM 0 HA GLU C 6 13.081 -0.173 5.060 1.00 0.00 H new ATOM 0 HB2 GLU C 6 14.446 2.164 3.645 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.869 2.249 5.297 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.314 0.316 5.927 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.855 0.159 4.267 1.00 0.00 H new ATOM 715 N GLU C 7 11.615 1.665 2.749 1.00 0.00 N ATOM 716 CA GLU C 7 10.366 2.346 2.414 1.00 0.00 C ATOM 717 C GLU C 7 9.190 1.385 2.582 1.00 0.00 C ATOM 718 O GLU C 7 8.136 1.759 3.093 1.00 0.00 O ATOM 719 CB GLU C 7 10.418 2.854 0.967 1.00 0.00 C ATOM 720 CG GLU C 7 9.162 3.676 0.659 1.00 0.00 C ATOM 721 CD GLU C 7 9.153 4.944 1.510 1.00 0.00 C ATOM 722 OE1 GLU C 7 8.082 5.495 1.710 1.00 0.00 O ATOM 723 OE2 GLU C 7 10.219 5.345 1.947 1.00 0.00 O ATOM 0 H GLU C 7 12.279 1.588 1.978 1.00 0.00 H new ATOM 0 HA GLU C 7 10.234 3.195 3.085 1.00 0.00 H new ATOM 0 HB2 GLU C 7 11.309 3.465 0.818 1.00 0.00 H new ATOM 0 HB3 GLU C 7 10.490 2.012 0.279 1.00 0.00 H new ATOM 0 HG2 GLU C 7 9.137 3.937 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU C 7 8.270 3.084 0.862 1.00 0.00 H new ATOM 730 N ILE C 8 9.385 0.139 2.162 1.00 0.00 N ATOM 731 CA ILE C 8 8.334 -0.879 2.286 1.00 0.00 C ATOM 732 C ILE C 8 8.000 -1.106 3.762 1.00 0.00 C ATOM 733 O ILE C 8 6.841 -1.288 4.126 1.00 0.00 O ATOM 734 CB ILE C 8 8.774 -2.199 1.621 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.589 -2.094 0.099 1.00 0.00 C ATOM 736 CG2 ILE C 8 7.920 -3.365 2.151 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.215 -0.804 -0.422 1.00 0.00 C ATOM 0 H ILE C 8 10.250 -0.193 1.736 1.00 0.00 H new ATOM 0 HA ILE C 8 7.440 -0.524 1.773 1.00 0.00 H new ATOM 0 HB ILE C 8 9.823 -2.381 1.856 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.049 -2.953 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.528 -2.117 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.237 -4.293 1.676 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.047 -3.448 3.230 1.00 0.00 H new ATOM 0 HG23 ILE C 8 6.870 -3.181 1.922 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.077 -0.743 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.736 0.051 0.055 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.280 -0.798 -0.192 1.00 0.00 H new ATOM 749 N THR C 9 9.019 -1.116 4.603 1.00 0.00 N ATOM 750 CA THR C 9 8.807 -1.339 6.027 1.00 0.00 C ATOM 751 C THR C 9 7.893 -0.251 6.588 1.00 0.00 C ATOM 752 O THR C 9 6.978 -0.527 7.371 1.00 0.00 O ATOM 753 CB THR C 9 10.154 -1.310 6.752 1.00 0.00 C ATOM 754 OG1 THR C 9 10.980 -2.349 6.245 1.00 0.00 O ATOM 755 CG2 THR C 9 9.938 -1.514 8.251 1.00 0.00 C ATOM 0 H THR C 9 9.992 -0.974 4.332 1.00 0.00 H new ATOM 0 HA THR C 9 8.337 -2.311 6.177 1.00 0.00 H new ATOM 0 HB THR C 9 10.635 -0.346 6.588 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.282 -2.116 5.342 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.900 -1.493 8.763 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.303 -0.718 8.639 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.457 -2.477 8.422 1.00 0.00 H new ATOM 763 N ARG C 10 8.132 0.985 6.175 1.00 0.00 N ATOM 764 CA ARG C 10 7.312 2.099 6.635 1.00 0.00 C ATOM 765 C ARG C 10 5.866 1.884 6.186 1.00 0.00 C ATOM 766 O ARG C 10 4.925 2.151 6.929 1.00 0.00 O ATOM 767 CB ARG C 10 7.839 3.417 6.066 1.00 0.00 C ATOM 768 CG ARG C 10 7.075 4.585 6.695 1.00 0.00 C ATOM 769 CD ARG C 10 7.531 5.900 6.063 1.00 0.00 C ATOM 770 NE ARG C 10 7.077 5.980 4.677 1.00 0.00 N ATOM 771 CZ ARG C 10 5.845 6.385 4.387 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.453 6.455 3.145 1.00 0.00 N ATOM 773 NH2 ARG C 10 5.028 6.716 5.349 1.00 0.00 N ATOM 0 H ARG C 10 8.879 1.242 5.529 1.00 0.00 H new ATOM 0 HA ARG C 10 7.355 2.147 7.723 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.905 3.513 6.271 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.720 3.432 4.983 1.00 0.00 H new ATOM 0 HG2 ARG C 10 6.003 4.452 6.548 1.00 0.00 H new ATOM 0 HG3 ARG C 10 7.249 4.608 7.771 1.00 0.00 H new ATOM 0 HD2 ARG C 10 7.135 6.741 6.632 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.618 5.972 6.102 1.00 0.00 H new ATOM 0 HE ARG C 10 7.713 5.722 3.923 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.093 6.198 2.393 1.00 0.00 H new ATOM 0 HH12 ARG C 10 4.507 6.766 2.926 1.00 0.00 H new ATOM 0 HH21 ARG C 10 5.336 6.663 6.320 1.00 0.00 H new ATOM 0 HH22 ARG C 10 4.082 7.027 5.130 1.00 0.00 H new ATOM 787 N CYS C 11 5.697 1.404 4.957 1.00 0.00 N ATOM 788 CA CYS C 11 4.361 1.159 4.422 1.00 0.00 C ATOM 789 C CYS C 11 3.572 0.241 5.354 1.00 0.00 C ATOM 790 O CYS C 11 2.397 0.478 5.634 1.00 0.00 O ATOM 791 CB CYS C 11 4.457 0.522 3.036 1.00 0.00 C ATOM 792 SG CYS C 11 2.791 0.294 2.365 1.00 0.00 S ATOM 0 H CYS C 11 6.460 1.179 4.318 1.00 0.00 H new ATOM 0 HA CYS C 11 3.842 2.114 4.344 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.045 1.155 2.372 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.971 -0.437 3.099 1.00 0.00 H new ATOM 797 N LYS C 12 4.226 -0.802 5.845 1.00 0.00 N ATOM 798 CA LYS C 12 3.566 -1.733 6.752 1.00 0.00 C ATOM 799 C LYS C 12 3.119 -1.005 8.011 1.00 0.00 C ATOM 800 O LYS C 12 2.040 -1.264 8.544 1.00 0.00 O ATOM 801 CB LYS C 12 4.513 -2.872 7.119 1.00 0.00 C ATOM 802 CG LYS C 12 4.736 -3.756 5.894 1.00 0.00 C ATOM 803 CD LYS C 12 5.691 -4.892 6.257 1.00 0.00 C ATOM 804 CE LYS C 12 5.906 -5.788 5.038 1.00 0.00 C ATOM 805 NZ LYS C 12 6.842 -6.891 5.394 1.00 0.00 N ATOM 0 H LYS C 12 5.199 -1.024 5.635 1.00 0.00 H new ATOM 0 HA LYS C 12 2.691 -2.149 6.252 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.464 -2.471 7.471 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.094 -3.460 7.935 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.786 -4.162 5.546 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.149 -3.166 5.076 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.644 -4.486 6.595 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.282 -5.475 7.082 1.00 0.00 H new ATOM 0 HE2 LYS C 12 4.954 -6.198 4.702 1.00 0.00 H new ATOM 0 HE3 LYS C 12 6.311 -5.205 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 6.990 -7.502 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 7.753 -6.490 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 6.438 -7.452 6.170 1.00 0.00 H new ATOM 819 N LYS C 13 3.954 -0.089 8.481 1.00 0.00 N ATOM 820 CA LYS C 13 3.633 0.675 9.680 1.00 0.00 C ATOM 821 C LYS C 13 2.344 1.474 9.474 1.00 0.00 C ATOM 822 O LYS C 13 1.536 1.606 10.394 1.00 0.00 O ATOM 823 CB LYS C 13 4.779 1.628 10.028 1.00 0.00 C ATOM 824 CG LYS C 13 4.473 2.340 11.349 1.00 0.00 C ATOM 825 CD LYS C 13 5.643 3.255 11.718 1.00 0.00 C ATOM 826 CE LYS C 13 5.333 3.980 13.028 1.00 0.00 C ATOM 827 NZ LYS C 13 5.189 2.983 14.127 1.00 0.00 N ATOM 0 H LYS C 13 4.852 0.143 8.055 1.00 0.00 H new ATOM 0 HA LYS C 13 3.490 -0.025 10.503 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.714 1.074 10.110 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.911 2.360 9.231 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.557 2.923 11.257 1.00 0.00 H new ATOM 0 HG3 LYS C 13 4.307 1.608 12.139 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.557 2.670 11.822 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.817 3.979 10.922 1.00 0.00 H new ATOM 0 HE2 LYS C 13 6.131 4.684 13.264 1.00 0.00 H new ATOM 0 HE3 LYS C 13 4.416 4.560 12.927 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 5.334 3.453 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 4.236 2.569 14.097 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 5.897 2.231 14.008 1.00 0.00 H new ATOM 841 N LEU C 14 2.164 2.019 8.272 1.00 0.00 N ATOM 842 CA LEU C 14 0.974 2.821 7.980 1.00 0.00 C ATOM 843 C LEU C 14 -0.290 1.976 8.128 1.00 0.00 C ATOM 844 O LEU C 14 -1.265 2.409 8.741 1.00 0.00 O ATOM 845 CB LEU C 14 1.053 3.327 6.532 1.00 0.00 C ATOM 846 CG LEU C 14 2.181 4.372 6.382 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.458 4.654 4.886 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.773 5.685 7.071 1.00 0.00 C ATOM 0 H LEU C 14 2.816 1.923 7.493 1.00 0.00 H new ATOM 0 HA LEU C 14 0.934 3.656 8.680 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.234 2.490 5.858 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.100 3.769 6.243 1.00 0.00 H new ATOM 0 HG LEU C 14 3.083 3.975 6.848 1.00 0.00 H new ATOM 0 HD11 LEU C 14 3.255 5.392 4.796 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.761 3.731 4.392 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.553 5.038 4.415 1.00 0.00 H new ATOM 0 HD21 LEU C 14 2.573 6.417 6.961 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.863 6.070 6.611 1.00 0.00 H new ATOM 0 HD23 LEU C 14 1.593 5.500 8.130 1.00 0.00 H new ATOM 860 N LEU C 15 -0.258 0.763 7.590 1.00 0.00 N ATOM 861 CA LEU C 15 -1.404 -0.141 7.700 1.00 0.00 C ATOM 862 C LEU C 15 -1.602 -0.596 9.147 1.00 0.00 C ATOM 863 O LEU C 15 -2.729 -0.756 9.613 1.00 0.00 O ATOM 864 CB LEU C 15 -1.232 -1.348 6.765 1.00 0.00 C ATOM 865 CG LEU C 15 -1.636 -0.952 5.335 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.836 0.270 4.887 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.352 -2.111 4.380 1.00 0.00 C ATOM 0 H LEU C 15 0.538 0.382 7.078 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.298 0.403 7.394 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.197 -1.689 6.780 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.846 -2.179 7.111 1.00 0.00 H new ATOM 0 HG LEU C 15 -2.700 -0.716 5.322 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -1.128 0.544 3.873 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -1.037 1.103 5.560 1.00 0.00 H new ATOM 0 HD13 LEU C 15 0.228 0.036 4.907 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.639 -1.827 3.368 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -0.288 -2.348 4.402 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -1.925 -2.985 4.688 1.00 0.00 H new ATOM 879 N ASP C 16 -0.496 -0.816 9.847 1.00 0.00 N ATOM 880 CA ASP C 16 -0.548 -1.271 11.234 1.00 0.00 C ATOM 881 C ASP C 16 -1.263 -0.246 12.112 1.00 0.00 C ATOM 882 O ASP C 16 -2.010 -0.606 13.023 1.00 0.00 O ATOM 883 CB ASP C 16 0.872 -1.488 11.757 1.00 0.00 C ATOM 884 CG ASP C 16 1.486 -2.720 11.102 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.745 -3.473 10.492 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.689 -2.891 11.217 1.00 0.00 O ATOM 0 H ASP C 16 0.447 -0.688 9.480 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.102 -2.209 11.270 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.484 -0.611 11.546 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.855 -1.612 12.840 1.00 0.00 H new ATOM 891 N ASP C 17 -1.031 1.029 11.834 1.00 0.00 N ATOM 892 CA ASP C 17 -1.659 2.097 12.603 1.00 0.00 C ATOM 893 C ASP C 17 -3.168 2.108 12.373 1.00 0.00 C ATOM 894 O ASP C 17 -3.906 2.809 13.064 1.00 0.00 O ATOM 895 CB ASP C 17 -1.069 3.451 12.211 1.00 0.00 C ATOM 896 CG ASP C 17 0.357 3.572 12.741 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.731 2.757 13.569 1.00 0.00 O ATOM 898 OD2 ASP C 17 1.050 4.479 12.314 1.00 0.00 O ATOM 0 H ASP C 17 -0.416 1.349 11.086 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.465 1.915 13.660 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.073 3.558 11.126 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.685 4.255 12.613 1.00 0.00 H new ATOM 903 N SER C 18 -3.618 1.336 11.391 1.00 0.00 N ATOM 904 CA SER C 18 -5.037 1.274 11.063 1.00 0.00 C ATOM 905 C SER C 18 -5.846 0.776 12.249 1.00 0.00 C ATOM 906 O SER C 18 -7.056 0.984 12.323 1.00 0.00 O ATOM 907 CB SER C 18 -5.255 0.334 9.882 1.00 0.00 C ATOM 908 OG SER C 18 -4.981 -1.001 10.287 1.00 0.00 O ATOM 0 H SER C 18 -3.023 0.746 10.810 1.00 0.00 H new ATOM 0 HA SER C 18 -5.369 2.280 10.805 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.281 0.414 9.523 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.605 0.616 9.054 1.00 0.00 H new ATOM 0 HG SER C 18 -4.011 -1.138 10.327 1.00 0.00 H new ATOM 914 N SER C 19 -5.170 0.113 13.168 1.00 0.00 N ATOM 915 CA SER C 19 -5.834 -0.420 14.354 1.00 0.00 C ATOM 916 C SER C 19 -6.030 0.672 15.395 1.00 0.00 C ATOM 917 O SER C 19 -6.807 0.520 16.338 1.00 0.00 O ATOM 918 CB SER C 19 -5.002 -1.556 14.951 1.00 0.00 C ATOM 919 OG SER C 19 -4.950 -2.636 14.028 1.00 0.00 O ATOM 0 H SER C 19 -4.168 -0.071 13.122 1.00 0.00 H new ATOM 0 HA SER C 19 -6.811 -0.802 14.059 1.00 0.00 H new ATOM 0 HB2 SER C 19 -3.995 -1.205 15.175 1.00 0.00 H new ATOM 0 HB3 SER C 19 -5.441 -1.888 15.892 1.00 0.00 H new ATOM 0 HG SER C 19 -4.416 -3.365 14.407 1.00 0.00 H new ATOM 925 N SER C 20 -5.333 1.775 15.202 1.00 0.00 N ATOM 926 CA SER C 20 -5.434 2.913 16.113 1.00 0.00 C ATOM 927 C SER C 20 -6.677 3.740 15.802 1.00 0.00 C ATOM 928 O SER C 20 -7.131 3.787 14.658 1.00 0.00 O ATOM 929 CB SER C 20 -4.189 3.793 16.002 1.00 0.00 C ATOM 930 OG SER C 20 -3.031 2.998 16.220 1.00 0.00 O ATOM 0 H SER C 20 -4.688 1.913 14.424 1.00 0.00 H new ATOM 0 HA SER C 20 -5.511 2.530 17.130 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.145 4.258 15.017 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.233 4.600 16.734 1.00 0.00 H new ATOM 0 HG SER C 20 -2.231 3.559 16.148 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.480 0.811 -2.070 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.685 1.262 -1.416 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.626 1.643 -0.057 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.594 1.570 0.647 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.761 1.116 -0.012 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.704 0.736 -1.368 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.418 0.407 -3.523 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.872 2.131 0.645 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.070 1.038 0.738 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.603 0.385 -1.875 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.638 1.863 1.696 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.629 1.317 -1.958 1.00 0.00 H new