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+ -161:sc= -0.0366 (180deg=-0.445) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -2.23 K(o=-2.2,f=-5.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= -0.0776 (180deg=-0.504) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0406 (180deg=-0.513) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -69:sc= 0.176 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -160:sc= -0.0693 (180deg=-0.456) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -2.26 K(o=-2.3,f=-5.9!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -163:sc= -0.0659 (180deg=-0.48) USER MOD Single : B 13 LYS NZ :NH3+ 161:sc= -0.046 (180deg=-0.511) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -69:sc= 0.161 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -159:sc= -0.0559 (180deg=-0.519) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -2.09 K(o=-2.1,f=-6!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ -163:sc= -0.0383 (180deg=-0.499) USER MOD Single : C 13 LYS NZ :NH3+ 160:sc= -0.0859 (180deg=-0.55) USER MOD Single : C 18 SER OG : rot 180:sc= 0 USER MOD Single : C 19 SER OG : rot -69:sc= 0.147 USER MOD Single : C 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.711 5.218 15.965 1.00 0.00 N ATOM 2 CA LYS A 1 -8.747 6.192 15.637 1.00 0.00 C ATOM 3 C LYS A 1 -8.158 7.351 14.842 1.00 0.00 C ATOM 4 O LYS A 1 -8.798 8.392 14.674 1.00 0.00 O ATOM 5 CB LYS A 1 -9.395 6.720 16.918 1.00 0.00 C ATOM 6 CG LYS A 1 -10.147 5.582 17.614 1.00 0.00 C ATOM 7 CD LYS A 1 -10.802 6.109 18.893 1.00 0.00 C ATOM 8 CE LYS A 1 -11.556 4.974 19.586 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.180 5.485 20.839 1.00 0.00 N ATOM 0 H3 LYS A 1 -8.154 4.309 16.209 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.505 5.698 15.028 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.633 7.127 17.583 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.081 7.534 16.683 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.905 5.172 16.947 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.460 4.770 17.853 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.043 6.517 19.561 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.487 6.922 18.655 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.322 4.574 18.922 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.873 4.156 19.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.693 4.713 21.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.439 5.847 21.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.844 6.252 20.609 1.00 0.00 H new ATOM 23 N ASN A 2 -6.926 7.172 14.376 1.00 0.00 N ATOM 24 CA ASN A 2 -6.253 8.220 13.631 1.00 0.00 C ATOM 25 C ASN A 2 -7.034 8.563 12.357 1.00 0.00 C ATOM 26 O ASN A 2 -7.666 7.694 11.754 1.00 0.00 O ATOM 27 CB ASN A 2 -4.836 7.769 13.253 1.00 0.00 C ATOM 28 CG ASN A 2 -4.903 6.602 12.280 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.895 5.876 12.250 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.905 6.382 11.465 1.00 0.00 N ATOM 0 H ASN A 2 -6.381 6.319 14.501 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.197 9.107 14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.290 8.598 12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.288 7.475 14.148 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.948 5.607 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.083 6.985 11.491 1.00 0.00 H new ATOM 37 N PRO A 3 -7.004 9.806 11.943 1.00 0.00 N ATOM 38 CA PRO A 3 -7.733 10.268 10.722 1.00 0.00 C ATOM 39 C PRO A 3 -7.169 9.659 9.441 1.00 0.00 C ATOM 40 O PRO A 3 -7.864 9.559 8.432 1.00 0.00 O ATOM 41 CB PRO A 3 -7.549 11.796 10.749 1.00 0.00 C ATOM 42 CG PRO A 3 -6.313 12.026 11.559 1.00 0.00 C ATOM 43 CD PRO A 3 -6.272 10.910 12.589 1.00 0.00 C ATOM 0 HA PRO A 3 -8.779 9.963 10.727 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.440 12.198 9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.412 12.289 11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.424 12.007 10.928 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.340 13.002 12.043 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.248 10.624 12.828 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.746 11.211 13.523 1.00 0.00 H new ATOM 51 N GLU A 4 -5.910 9.259 9.493 1.00 0.00 N ATOM 52 CA GLU A 4 -5.254 8.666 8.333 1.00 0.00 C ATOM 53 C GLU A 4 -5.921 7.353 7.955 1.00 0.00 C ATOM 54 O GLU A 4 -5.676 6.806 6.877 1.00 0.00 O ATOM 55 CB GLU A 4 -3.770 8.437 8.629 1.00 0.00 C ATOM 56 CG GLU A 4 -3.039 9.789 8.730 1.00 0.00 C ATOM 57 CD GLU A 4 -3.230 10.388 10.117 1.00 0.00 C ATOM 58 OE1 GLU A 4 -2.637 11.417 10.384 1.00 0.00 O ATOM 59 OE2 GLU A 4 -3.974 9.817 10.886 1.00 0.00 O ATOM 0 H GLU A 4 -5.320 9.332 10.322 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.346 9.355 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.658 7.883 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.323 7.830 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.977 9.652 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.421 10.475 7.974 1.00 0.00 H new ATOM 66 N ALA A 5 -6.759 6.848 8.851 1.00 0.00 N ATOM 67 CA ALA A 5 -7.452 5.590 8.608 1.00 0.00 C ATOM 68 C ALA A 5 -8.286 5.682 7.330 1.00 0.00 C ATOM 69 O ALA A 5 -8.468 4.689 6.618 1.00 0.00 O ATOM 70 CB ALA A 5 -8.364 5.260 9.792 1.00 0.00 C ATOM 0 H ALA A 5 -6.974 7.287 9.746 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.710 4.800 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.879 4.318 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.765 5.171 10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.098 6.056 9.919 1.00 0.00 H new ATOM 76 N GLU A 6 -8.787 6.878 7.039 1.00 0.00 N ATOM 77 CA GLU A 6 -9.592 7.080 5.840 1.00 0.00 C ATOM 78 C GLU A 6 -8.772 6.777 4.583 1.00 0.00 C ATOM 79 O GLU A 6 -9.268 6.163 3.629 1.00 0.00 O ATOM 80 CB GLU A 6 -10.092 8.526 5.790 1.00 0.00 C ATOM 81 CG GLU A 6 -11.135 8.746 6.889 1.00 0.00 C ATOM 82 CD GLU A 6 -11.571 10.207 6.910 1.00 0.00 C ATOM 83 OE1 GLU A 6 -12.486 10.519 7.652 1.00 0.00 O ATOM 84 OE2 GLU A 6 -10.980 10.992 6.187 1.00 0.00 O ATOM 0 H GLU A 6 -8.652 7.713 7.609 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.443 6.400 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.258 9.215 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.528 8.737 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.998 8.103 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.719 8.468 7.857 1.00 0.00 H new ATOM 91 N GLU A 7 -7.513 7.196 4.594 1.00 0.00 N ATOM 92 CA GLU A 7 -6.629 6.956 3.462 1.00 0.00 C ATOM 93 C GLU A 7 -6.393 5.459 3.287 1.00 0.00 C ATOM 94 O GLU A 7 -6.279 4.959 2.167 1.00 0.00 O ATOM 95 CB GLU A 7 -5.300 7.683 3.659 1.00 0.00 C ATOM 96 CG GLU A 7 -4.490 7.625 2.359 1.00 0.00 C ATOM 97 CD GLU A 7 -5.212 8.410 1.260 1.00 0.00 C ATOM 98 OE1 GLU A 7 -5.062 8.061 0.097 1.00 0.00 O ATOM 99 OE2 GLU A 7 -5.904 9.356 1.599 1.00 0.00 O ATOM 0 H GLU A 7 -7.084 7.701 5.369 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.104 7.344 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.479 8.720 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.738 7.222 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.495 8.040 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.356 6.588 2.050 1.00 0.00 H new ATOM 106 N ILE A 8 -6.323 4.750 4.401 1.00 0.00 N ATOM 107 CA ILE A 8 -6.104 3.302 4.366 1.00 0.00 C ATOM 108 C ILE A 8 -7.248 2.626 3.623 1.00 0.00 C ATOM 109 O ILE A 8 -7.031 1.691 2.851 1.00 0.00 O ATOM 110 CB ILE A 8 -6.013 2.750 5.789 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.914 3.501 6.556 1.00 0.00 C ATOM 112 CG2 ILE A 8 -5.673 1.259 5.740 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.573 3.382 5.817 1.00 0.00 C ATOM 0 H ILE A 8 -6.413 5.144 5.338 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.168 3.098 3.847 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.969 2.886 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.187 4.551 6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.820 3.093 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.608 0.867 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.451 0.726 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.717 1.120 5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.803 3.919 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.295 2.331 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.668 3.811 4.820 1.00 0.00 H new ATOM 125 N THR A 9 -8.462 3.111 3.851 1.00 0.00 N ATOM 126 CA THR A 9 -9.636 2.553 3.178 1.00 0.00 C ATOM 127 C THR A 9 -9.479 2.690 1.666 1.00 0.00 C ATOM 128 O THR A 9 -9.789 1.766 0.911 1.00 0.00 O ATOM 129 CB THR A 9 -10.897 3.286 3.632 1.00 0.00 C ATOM 130 OG1 THR A 9 -11.070 3.101 5.031 1.00 0.00 O ATOM 131 CG2 THR A 9 -12.110 2.728 2.885 1.00 0.00 C ATOM 0 H THR A 9 -8.662 3.881 4.489 1.00 0.00 H new ATOM 0 HA THR A 9 -9.724 1.498 3.437 1.00 0.00 H new ATOM 0 HB THR A 9 -10.800 4.350 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.877 3.572 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.009 3.251 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.974 2.870 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.212 1.664 3.100 1.00 0.00 H new ATOM 139 N ARG A 10 -8.974 3.839 1.227 1.00 0.00 N ATOM 140 CA ARG A 10 -8.752 4.068 -0.202 1.00 0.00 C ATOM 141 C ARG A 10 -7.743 3.062 -0.752 1.00 0.00 C ATOM 142 O ARG A 10 -7.902 2.548 -1.860 1.00 0.00 O ATOM 143 CB ARG A 10 -8.229 5.486 -0.426 1.00 0.00 C ATOM 144 CG ARG A 10 -9.361 6.490 -0.209 1.00 0.00 C ATOM 145 CD ARG A 10 -8.783 7.906 -0.175 1.00 0.00 C ATOM 146 NE ARG A 10 -7.990 8.160 -1.373 1.00 0.00 N ATOM 147 CZ ARG A 10 -8.557 8.579 -2.500 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.824 8.797 -3.555 1.00 0.00 N ATOM 149 NH2 ARG A 10 -9.847 8.771 -2.548 1.00 0.00 N ATOM 0 H ARG A 10 -8.713 4.619 1.830 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.700 3.942 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.408 5.694 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.832 5.583 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.096 6.404 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.880 6.274 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.591 8.634 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.163 8.031 0.713 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.981 8.013 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.816 8.646 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.258 9.118 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.419 8.600 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.283 9.093 -3.412 1.00 0.00 H new ATOM 163 N CYS A 11 -6.712 2.775 0.033 1.00 0.00 N ATOM 164 CA CYS A 11 -5.697 1.814 -0.382 1.00 0.00 C ATOM 165 C CYS A 11 -6.356 0.486 -0.736 1.00 0.00 C ATOM 166 O CYS A 11 -6.039 -0.126 -1.756 1.00 0.00 O ATOM 167 CB CYS A 11 -4.687 1.603 0.747 1.00 0.00 C ATOM 168 SG CYS A 11 -3.250 0.693 0.115 1.00 0.00 S ATOM 0 H CYS A 11 -6.557 3.189 0.952 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.178 2.202 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.372 2.565 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.150 1.050 1.564 1.00 0.00 H new ATOM 173 N LYS A 12 -7.279 0.051 0.116 1.00 0.00 N ATOM 174 CA LYS A 12 -7.984 -1.207 -0.113 1.00 0.00 C ATOM 175 C LYS A 12 -8.793 -1.133 -1.406 1.00 0.00 C ATOM 176 O LYS A 12 -8.818 -2.080 -2.191 1.00 0.00 O ATOM 177 CB LYS A 12 -8.924 -1.496 1.058 1.00 0.00 C ATOM 178 CG LYS A 12 -8.097 -1.792 2.312 1.00 0.00 C ATOM 179 CD LYS A 12 -9.036 -2.070 3.487 1.00 0.00 C ATOM 180 CE LYS A 12 -8.212 -2.296 4.755 1.00 0.00 C ATOM 181 NZ LYS A 12 -7.331 -3.483 4.572 1.00 0.00 N ATOM 0 H LYS A 12 -7.555 0.545 0.964 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.249 -2.008 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.578 -0.642 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.565 -2.345 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.449 -2.651 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.450 -0.946 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.718 -1.231 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.649 -2.947 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.610 -1.414 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.873 -2.449 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.020 -3.831 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.857 -4.233 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.500 -3.215 4.007 1.00 0.00 H new ATOM 195 N LYS A 13 -9.437 0.007 -1.630 1.00 0.00 N ATOM 196 CA LYS A 13 -10.230 0.204 -2.839 1.00 0.00 C ATOM 197 C LYS A 13 -9.339 0.135 -4.075 1.00 0.00 C ATOM 198 O LYS A 13 -9.723 -0.422 -5.101 1.00 0.00 O ATOM 199 CB LYS A 13 -10.949 1.554 -2.786 1.00 0.00 C ATOM 200 CG LYS A 13 -11.834 1.712 -4.027 1.00 0.00 C ATOM 201 CD LYS A 13 -12.593 3.036 -3.944 1.00 0.00 C ATOM 202 CE LYS A 13 -13.459 3.206 -5.195 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.477 2.117 -5.245 1.00 0.00 N ATOM 0 H LYS A 13 -9.426 0.805 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.974 -0.590 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.556 1.619 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.221 2.364 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.222 1.687 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.536 0.881 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.218 3.054 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.891 3.865 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.951 4.178 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.836 3.177 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.250 2.393 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.034 1.244 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.858 1.953 -4.291 1.00 0.00 H new ATOM 217 N LEU A 14 -8.149 0.716 -3.974 1.00 0.00 N ATOM 218 CA LEU A 14 -7.218 0.719 -5.096 1.00 0.00 C ATOM 219 C LEU A 14 -6.822 -0.702 -5.464 1.00 0.00 C ATOM 220 O LEU A 14 -6.750 -1.047 -6.643 1.00 0.00 O ATOM 221 CB LEU A 14 -5.969 1.522 -4.713 1.00 0.00 C ATOM 222 CG LEU A 14 -6.281 3.030 -4.771 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.321 3.795 -3.845 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.088 3.536 -6.211 1.00 0.00 C ATOM 0 H LEU A 14 -7.808 1.187 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.702 1.177 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.642 1.247 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.150 1.284 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.310 3.194 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.545 4.861 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.443 3.441 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.293 3.627 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.308 4.603 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.057 3.365 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.762 2.999 -6.879 1.00 0.00 H new ATOM 236 N LEU A 15 -6.568 -1.519 -4.452 1.00 0.00 N ATOM 237 CA LEU A 15 -6.189 -2.908 -4.682 1.00 0.00 C ATOM 238 C LEU A 15 -7.337 -3.674 -5.327 1.00 0.00 C ATOM 239 O LEU A 15 -7.130 -4.484 -6.230 1.00 0.00 O ATOM 240 CB LEU A 15 -5.804 -3.569 -3.359 1.00 0.00 C ATOM 241 CG LEU A 15 -4.517 -2.926 -2.823 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.239 -3.447 -1.412 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.327 -3.262 -3.742 1.00 0.00 C ATOM 0 H LEU A 15 -6.617 -1.248 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.333 -2.927 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.610 -3.454 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.656 -4.639 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.645 -1.844 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.326 -2.992 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.073 -3.191 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.120 -4.530 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.422 -2.799 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.193 -4.343 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.523 -2.882 -4.745 1.00 0.00 H new ATOM 255 N ASP A 16 -8.550 -3.403 -4.868 1.00 0.00 N ATOM 256 CA ASP A 16 -9.734 -4.062 -5.411 1.00 0.00 C ATOM 257 C ASP A 16 -9.903 -3.717 -6.889 1.00 0.00 C ATOM 258 O ASP A 16 -10.318 -4.552 -7.691 1.00 0.00 O ATOM 259 CB ASP A 16 -10.978 -3.634 -4.634 1.00 0.00 C ATOM 260 CG ASP A 16 -10.972 -4.266 -3.246 1.00 0.00 C ATOM 261 OD1 ASP A 16 -11.749 -3.829 -2.414 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.191 -5.181 -3.037 1.00 0.00 O ATOM 0 H ASP A 16 -8.743 -2.734 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.606 -5.140 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.006 -2.548 -4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.875 -3.934 -5.175 1.00 0.00 H new ATOM 267 N ASP A 17 -9.577 -2.480 -7.237 1.00 0.00 N ATOM 268 CA ASP A 17 -9.693 -2.019 -8.616 1.00 0.00 C ATOM 269 C ASP A 17 -8.732 -2.791 -9.517 1.00 0.00 C ATOM 270 O ASP A 17 -8.781 -2.674 -10.737 1.00 0.00 O ATOM 271 CB ASP A 17 -9.398 -0.523 -8.705 1.00 0.00 C ATOM 272 CG ASP A 17 -10.539 0.271 -8.075 1.00 0.00 C ATOM 273 OD1 ASP A 17 -10.343 1.447 -7.817 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.592 -0.308 -7.864 1.00 0.00 O ATOM 0 H ASP A 17 -9.230 -1.777 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.714 -2.198 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.462 -0.297 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.272 -0.230 -9.747 1.00 0.00 H new ATOM 279 N SER A 18 -7.853 -3.571 -8.904 1.00 0.00 N ATOM 280 CA SER A 18 -6.878 -4.347 -9.658 1.00 0.00 C ATOM 281 C SER A 18 -7.579 -5.253 -10.659 1.00 0.00 C ATOM 282 O SER A 18 -7.059 -5.519 -11.742 1.00 0.00 O ATOM 283 CB SER A 18 -6.033 -5.193 -8.705 1.00 0.00 C ATOM 284 OG SER A 18 -5.034 -5.883 -9.447 1.00 0.00 O ATOM 0 H SER A 18 -7.794 -3.683 -7.892 1.00 0.00 H new ATOM 0 HA SER A 18 -6.231 -3.657 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.568 -4.557 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.665 -5.905 -8.175 1.00 0.00 H new ATOM 0 HG SER A 18 -4.490 -6.425 -8.838 1.00 0.00 H new ATOM 290 N SER A 19 -8.756 -5.722 -10.289 1.00 0.00 N ATOM 291 CA SER A 19 -9.526 -6.604 -11.167 1.00 0.00 C ATOM 292 C SER A 19 -10.233 -5.805 -12.257 1.00 0.00 C ATOM 293 O SER A 19 -10.709 -6.364 -13.245 1.00 0.00 O ATOM 294 CB SER A 19 -10.564 -7.381 -10.355 1.00 0.00 C ATOM 295 OG SER A 19 -11.544 -6.476 -9.863 1.00 0.00 O ATOM 0 H SER A 19 -9.203 -5.513 -9.396 1.00 0.00 H new ATOM 0 HA SER A 19 -8.832 -7.301 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.034 -8.143 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.082 -7.899 -9.526 1.00 0.00 H new ATOM 0 HG SER A 19 -11.144 -5.901 -9.178 1.00 0.00 H new ATOM 301 N SER A 20 -10.274 -4.498 -12.078 1.00 0.00 N ATOM 302 CA SER A 20 -10.904 -3.613 -13.059 1.00 0.00 C ATOM 303 C SER A 20 -9.952 -3.331 -14.218 1.00 0.00 C ATOM 304 O SER A 20 -8.733 -3.323 -14.043 1.00 0.00 O ATOM 305 CB SER A 20 -11.319 -2.297 -12.401 1.00 0.00 C ATOM 306 OG SER A 20 -12.144 -2.576 -11.277 1.00 0.00 O ATOM 0 H SER A 20 -9.882 -4.020 -11.267 1.00 0.00 H new ATOM 0 HA SER A 20 -11.792 -4.113 -13.446 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.437 -1.738 -12.090 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.856 -1.673 -13.115 1.00 0.00 H new ATOM 0 HG SER A 20 -12.411 -1.735 -10.851 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.514 -3.092 -15.396 1.00 0.00 N ATOM 314 CA LYS B 1 -9.706 -2.802 -16.575 1.00 0.00 C ATOM 315 C LYS B 1 -9.148 -1.386 -16.509 1.00 0.00 C ATOM 316 O LYS B 1 -8.644 -0.857 -17.502 1.00 0.00 O ATOM 317 CB LYS B 1 -10.546 -2.967 -17.843 1.00 0.00 C ATOM 318 CG LYS B 1 -10.935 -4.438 -18.010 1.00 0.00 C ATOM 319 CD LYS B 1 -11.768 -4.606 -19.282 1.00 0.00 C ATOM 320 CE LYS B 1 -12.159 -6.076 -19.445 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.979 -6.237 -20.680 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.602 -4.122 -15.280 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.874 -3.505 -16.601 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.441 -2.348 -17.782 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.982 -2.628 -18.712 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -10.040 -5.058 -18.065 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.504 -4.775 -17.143 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.662 -3.985 -19.229 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.199 -4.272 -20.149 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.265 -6.697 -19.505 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.723 -6.412 -18.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -13.245 -7.236 -20.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.838 -5.656 -20.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.426 -5.932 -21.506 1.00 0.00 H new ATOM 335 N ASN B 2 -9.266 -0.768 -15.339 1.00 0.00 N ATOM 336 CA ASN B 2 -8.801 0.596 -15.166 1.00 0.00 C ATOM 337 C ASN B 2 -7.294 0.691 -15.430 1.00 0.00 C ATOM 338 O ASN B 2 -6.546 -0.247 -15.148 1.00 0.00 O ATOM 339 CB ASN B 2 -9.101 1.079 -13.743 1.00 0.00 C ATOM 340 CG ASN B 2 -8.293 0.271 -12.738 1.00 0.00 C ATOM 341 OD1 ASN B 2 -7.901 -0.858 -13.024 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.009 0.790 -11.573 1.00 0.00 N ATOM 0 H ASN B 2 -9.676 -1.188 -14.505 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.326 1.228 -15.882 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -8.858 2.138 -13.651 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.166 0.977 -13.532 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.460 0.258 -10.898 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.336 1.727 -11.339 1.00 0.00 H new ATOM 349 N PRO B 3 -6.838 1.799 -15.963 1.00 0.00 N ATOM 350 CA PRO B 3 -5.391 2.008 -16.276 1.00 0.00 C ATOM 351 C PRO B 3 -4.526 2.062 -15.019 1.00 0.00 C ATOM 352 O PRO B 3 -3.327 1.794 -15.068 1.00 0.00 O ATOM 353 CB PRO B 3 -5.376 3.350 -17.028 1.00 0.00 C ATOM 354 CG PRO B 3 -6.616 4.058 -16.588 1.00 0.00 C ATOM 355 CD PRO B 3 -7.647 2.975 -16.325 1.00 0.00 C ATOM 0 HA PRO B 3 -4.972 1.187 -16.858 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.485 3.928 -16.784 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.372 3.197 -18.107 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.431 4.647 -15.689 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.964 4.749 -17.356 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.326 3.256 -15.520 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.259 2.783 -17.206 1.00 0.00 H new ATOM 363 N GLU B 4 -5.144 2.409 -13.901 1.00 0.00 N ATOM 364 CA GLU B 4 -4.427 2.499 -12.635 1.00 0.00 C ATOM 365 C GLU B 4 -3.904 1.133 -12.218 1.00 0.00 C ATOM 366 O GLU B 4 -3.082 1.022 -11.306 1.00 0.00 O ATOM 367 CB GLU B 4 -5.345 3.065 -11.550 1.00 0.00 C ATOM 368 CG GLU B 4 -5.641 4.549 -11.834 1.00 0.00 C ATOM 369 CD GLU B 4 -6.761 4.677 -12.857 1.00 0.00 C ATOM 370 OE1 GLU B 4 -7.174 5.791 -13.120 1.00 0.00 O ATOM 371 OE2 GLU B 4 -7.182 3.662 -13.370 1.00 0.00 O ATOM 0 H GLU B 4 -6.137 2.633 -13.842 1.00 0.00 H new ATOM 0 HA GLU B 4 -3.577 3.169 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.276 2.499 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -4.875 2.960 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.923 5.054 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.742 5.042 -12.205 1.00 0.00 H new ATOM 378 N ALA B 5 -4.391 0.095 -12.885 1.00 0.00 N ATOM 379 CA ALA B 5 -3.975 -1.264 -12.572 1.00 0.00 C ATOM 380 C ALA B 5 -2.462 -1.404 -12.727 1.00 0.00 C ATOM 381 O ALA B 5 -1.820 -2.178 -12.011 1.00 0.00 O ATOM 382 CB ALA B 5 -4.678 -2.254 -13.504 1.00 0.00 C ATOM 0 H ALA B 5 -5.071 0.168 -13.642 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.249 -1.482 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.361 -3.269 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.757 -2.171 -13.376 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.417 -2.028 -14.538 1.00 0.00 H new ATOM 388 N GLU B 6 -1.893 -0.648 -13.659 1.00 0.00 N ATOM 389 CA GLU B 6 -0.453 -0.697 -13.888 1.00 0.00 C ATOM 390 C GLU B 6 0.307 -0.262 -12.633 1.00 0.00 C ATOM 391 O GLU B 6 1.333 -0.852 -12.270 1.00 0.00 O ATOM 392 CB GLU B 6 -0.083 0.221 -15.057 1.00 0.00 C ATOM 393 CG GLU B 6 -0.610 -0.375 -16.363 1.00 0.00 C ATOM 394 CD GLU B 6 -0.339 0.582 -17.519 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.604 0.204 -18.649 1.00 0.00 O ATOM 396 OE2 GLU B 6 0.125 1.679 -17.259 1.00 0.00 O ATOM 0 H GLU B 6 -2.400 -0.000 -14.263 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.175 -1.723 -14.127 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.506 1.213 -14.901 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.999 0.341 -15.110 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.130 -1.335 -16.554 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.680 -0.565 -16.280 1.00 0.00 H new ATOM 403 N GLU B 7 -0.210 0.761 -11.965 1.00 0.00 N ATOM 404 CA GLU B 7 0.415 1.261 -10.748 1.00 0.00 C ATOM 405 C GLU B 7 0.358 0.197 -9.654 1.00 0.00 C ATOM 406 O GLU B 7 1.284 0.055 -8.854 1.00 0.00 O ATOM 407 CB GLU B 7 -0.275 2.540 -10.278 1.00 0.00 C ATOM 408 CG GLU B 7 0.550 3.181 -9.156 1.00 0.00 C ATOM 409 CD GLU B 7 1.905 3.638 -9.703 1.00 0.00 C ATOM 410 OE1 GLU B 7 2.869 3.635 -8.950 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.956 3.991 -10.869 1.00 0.00 O ATOM 0 H GLU B 7 -1.056 1.258 -12.243 1.00 0.00 H new ATOM 0 HA GLU B 7 1.459 1.491 -10.962 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.380 3.236 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.280 2.314 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.012 4.031 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.697 2.466 -8.347 1.00 0.00 H new ATOM 418 N ILE B 8 -0.734 -0.552 -9.631 1.00 0.00 N ATOM 419 CA ILE B 8 -0.906 -1.613 -8.635 1.00 0.00 C ATOM 420 C ILE B 8 0.200 -2.651 -8.794 1.00 0.00 C ATOM 421 O ILE B 8 0.731 -3.162 -7.807 1.00 0.00 O ATOM 422 CB ILE B 8 -2.271 -2.279 -8.808 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.369 -1.210 -8.739 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.486 -3.308 -7.692 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.289 -0.449 -7.406 1.00 0.00 C ATOM 0 H ILE B 8 -1.512 -0.451 -10.283 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.850 -1.177 -7.638 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.311 -2.782 -9.774 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -3.261 -0.513 -9.570 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -4.348 -1.678 -8.840 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.460 -3.782 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.704 -4.066 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.447 -2.808 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.074 0.306 -7.371 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.420 -1.148 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.316 0.035 -7.321 1.00 0.00 H new ATOM 437 N THR B 9 0.552 -2.946 -10.039 1.00 0.00 N ATOM 438 CA THR B 9 1.616 -3.910 -10.317 1.00 0.00 C ATOM 439 C THR B 9 2.925 -3.430 -9.695 1.00 0.00 C ATOM 440 O THR B 9 3.669 -4.213 -9.101 1.00 0.00 O ATOM 441 CB THR B 9 1.793 -4.078 -11.824 1.00 0.00 C ATOM 442 OG1 THR B 9 0.593 -4.596 -12.383 1.00 0.00 O ATOM 443 CG2 THR B 9 2.948 -5.044 -12.099 1.00 0.00 C ATOM 0 H THR B 9 0.122 -2.537 -10.868 1.00 0.00 H new ATOM 0 HA THR B 9 1.342 -4.872 -9.883 1.00 0.00 H new ATOM 0 HB THR B 9 2.017 -3.112 -12.276 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.703 -4.703 -13.351 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.074 -5.164 -13.175 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.866 -4.645 -11.668 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.727 -6.012 -11.650 1.00 0.00 H new ATOM 451 N ARG B 10 3.191 -2.132 -9.811 1.00 0.00 N ATOM 452 CA ARG B 10 4.402 -1.556 -9.223 1.00 0.00 C ATOM 453 C ARG B 10 4.390 -1.730 -7.706 1.00 0.00 C ATOM 454 O ARG B 10 5.422 -2.020 -7.097 1.00 0.00 O ATOM 455 CB ARG B 10 4.487 -0.069 -9.568 1.00 0.00 C ATOM 456 CG ARG B 10 4.857 0.097 -11.041 1.00 0.00 C ATOM 457 CD ARG B 10 4.694 1.563 -11.444 1.00 0.00 C ATOM 458 NE ARG B 10 5.457 2.424 -10.545 1.00 0.00 N ATOM 459 CZ ARG B 10 6.747 2.666 -10.749 1.00 0.00 C ATOM 460 NH1 ARG B 10 7.403 3.438 -9.928 1.00 0.00 N ATOM 461 NH2 ARG B 10 7.357 2.130 -11.771 1.00 0.00 N ATOM 0 H ARG B 10 2.595 -1.464 -10.300 1.00 0.00 H new ATOM 0 HA ARG B 10 5.270 -2.074 -9.631 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.532 0.416 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.232 0.418 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.885 -0.225 -11.208 1.00 0.00 H new ATOM 0 HG3 ARG B 10 4.221 -0.535 -11.661 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.034 1.705 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG B 10 3.640 1.840 -11.416 1.00 0.00 H new ATOM 0 HE ARG B 10 4.990 2.848 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG B 10 6.926 3.856 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG B 10 8.394 3.624 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.843 1.526 -12.412 1.00 0.00 H new ATOM 0 HH22 ARG B 10 8.348 2.315 -11.928 1.00 0.00 H new ATOM 475 N CYS B 11 3.220 -1.564 -7.102 1.00 0.00 N ATOM 476 CA CYS B 11 3.087 -1.721 -5.658 1.00 0.00 C ATOM 477 C CYS B 11 3.577 -3.100 -5.226 1.00 0.00 C ATOM 478 O CYS B 11 4.303 -3.232 -4.239 1.00 0.00 O ATOM 479 CB CYS B 11 1.625 -1.543 -5.250 1.00 0.00 C ATOM 480 SG CYS B 11 1.518 -1.412 -3.445 1.00 0.00 S ATOM 0 H CYS B 11 2.355 -1.322 -7.585 1.00 0.00 H new ATOM 0 HA CYS B 11 3.695 -0.962 -5.166 1.00 0.00 H new ATOM 0 HB2 CYS B 11 1.212 -0.649 -5.716 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.032 -2.388 -5.601 1.00 0.00 H new ATOM 485 N LYS B 12 3.180 -4.124 -5.973 1.00 0.00 N ATOM 486 CA LYS B 12 3.593 -5.491 -5.662 1.00 0.00 C ATOM 487 C LYS B 12 5.110 -5.625 -5.782 1.00 0.00 C ATOM 488 O LYS B 12 5.756 -6.269 -4.955 1.00 0.00 O ATOM 489 CB LYS B 12 2.917 -6.467 -6.625 1.00 0.00 C ATOM 490 CG LYS B 12 1.412 -6.491 -6.352 1.00 0.00 C ATOM 491 CD LYS B 12 0.727 -7.433 -7.344 1.00 0.00 C ATOM 492 CE LYS B 12 -0.785 -7.401 -7.118 1.00 0.00 C ATOM 493 NZ LYS B 12 -1.093 -7.885 -5.744 1.00 0.00 N ATOM 0 H LYS B 12 2.578 -4.037 -6.792 1.00 0.00 H new ATOM 0 HA LYS B 12 3.295 -5.723 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS B 12 3.106 -6.167 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.336 -7.466 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.222 -6.821 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.999 -5.486 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.959 -7.133 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.103 -8.448 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.162 -6.387 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -1.287 -8.026 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -2.100 -8.137 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -0.513 -8.722 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -0.881 -7.134 -5.056 1.00 0.00 H new ATOM 507 N LYS B 13 5.673 -4.998 -6.810 1.00 0.00 N ATOM 508 CA LYS B 13 7.116 -5.040 -7.025 1.00 0.00 C ATOM 509 C LYS B 13 7.842 -4.373 -5.860 1.00 0.00 C ATOM 510 O LYS B 13 8.887 -4.845 -5.413 1.00 0.00 O ATOM 511 CB LYS B 13 7.477 -4.341 -8.337 1.00 0.00 C ATOM 512 CG LYS B 13 8.982 -4.467 -8.587 1.00 0.00 C ATOM 513 CD LYS B 13 9.335 -3.804 -9.919 1.00 0.00 C ATOM 514 CE LYS B 13 10.844 -3.893 -10.150 1.00 0.00 C ATOM 515 NZ LYS B 13 11.247 -5.324 -10.248 1.00 0.00 N ATOM 0 H LYS B 13 5.156 -4.458 -7.504 1.00 0.00 H new ATOM 0 HA LYS B 13 7.429 -6.082 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.922 -4.786 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.192 -3.290 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.537 -3.996 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.272 -5.518 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.802 -4.294 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS B 13 9.018 -2.761 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS B 13 11.115 -3.364 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS B 13 11.377 -3.409 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.175 -5.392 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 11.307 -5.734 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.541 -5.846 -10.805 1.00 0.00 H new ATOM 529 N LEU B 14 7.288 -3.268 -5.377 1.00 0.00 N ATOM 530 CA LEU B 14 7.899 -2.546 -4.266 1.00 0.00 C ATOM 531 C LEU B 14 7.946 -3.422 -3.025 1.00 0.00 C ATOM 532 O LEU B 14 8.952 -3.453 -2.317 1.00 0.00 O ATOM 533 CB LEU B 14 7.081 -1.282 -3.976 1.00 0.00 C ATOM 534 CG LEU B 14 7.385 -0.208 -5.038 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.204 0.772 -5.137 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.645 0.573 -4.627 1.00 0.00 C ATOM 0 H LEU B 14 6.426 -2.855 -5.732 1.00 0.00 H new ATOM 0 HA LEU B 14 8.919 -2.273 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.017 -1.518 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.321 -0.902 -2.983 1.00 0.00 H new ATOM 0 HG LEU B 14 7.543 -0.692 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.422 1.530 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.303 0.228 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.048 1.253 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.862 1.334 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.478 1.052 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.489 -0.112 -4.550 1.00 0.00 H new ATOM 548 N LEU B 15 6.859 -4.136 -2.772 1.00 0.00 N ATOM 549 CA LEU B 15 6.795 -5.026 -1.618 1.00 0.00 C ATOM 550 C LEU B 15 7.806 -6.158 -1.763 1.00 0.00 C ATOM 551 O LEU B 15 8.463 -6.546 -0.799 1.00 0.00 O ATOM 552 CB LEU B 15 5.386 -5.604 -1.484 1.00 0.00 C ATOM 553 CG LEU B 15 4.407 -4.481 -1.112 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.975 -5.014 -1.177 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.703 -3.963 0.308 1.00 0.00 C ATOM 0 H LEU B 15 6.015 -4.119 -3.344 1.00 0.00 H new ATOM 0 HA LEU B 15 7.036 -4.453 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.082 -6.071 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.371 -6.382 -0.721 1.00 0.00 H new ATOM 0 HG LEU B 15 4.525 -3.658 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.278 -4.218 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.762 -5.363 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.863 -5.842 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.002 -3.167 0.559 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.596 -4.779 1.023 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.721 -3.576 0.349 1.00 0.00 H new ATOM 567 N ASP B 16 7.931 -6.678 -2.975 1.00 0.00 N ATOM 568 CA ASP B 16 8.872 -7.761 -3.243 1.00 0.00 C ATOM 569 C ASP B 16 10.304 -7.299 -2.985 1.00 0.00 C ATOM 570 O ASP B 16 11.133 -8.057 -2.482 1.00 0.00 O ATOM 571 CB ASP B 16 8.734 -8.232 -4.689 1.00 0.00 C ATOM 572 CG ASP B 16 7.429 -9.003 -4.865 1.00 0.00 C ATOM 573 OD1 ASP B 16 7.037 -9.215 -6.000 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.842 -9.374 -3.861 1.00 0.00 O ATOM 0 H ASP B 16 7.396 -6.371 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 16 8.643 -8.590 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.753 -7.375 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.579 -8.866 -4.956 1.00 0.00 H new ATOM 579 N ASP B 17 10.583 -6.050 -3.332 1.00 0.00 N ATOM 580 CA ASP B 17 11.913 -5.481 -3.141 1.00 0.00 C ATOM 581 C ASP B 17 12.248 -5.414 -1.653 1.00 0.00 C ATOM 582 O ASP B 17 13.377 -5.116 -1.274 1.00 0.00 O ATOM 583 CB ASP B 17 11.991 -4.085 -3.756 1.00 0.00 C ATOM 584 CG ASP B 17 11.970 -4.187 -5.278 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.762 -3.168 -5.916 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.162 -5.280 -5.784 1.00 0.00 O ATOM 0 H ASP B 17 9.906 -5.410 -3.748 1.00 0.00 H new ATOM 0 HA ASP B 17 12.638 -6.124 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP B 17 11.153 -3.479 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.902 -3.584 -3.429 1.00 0.00 H new ATOM 591 N SER B 18 11.257 -5.683 -0.816 1.00 0.00 N ATOM 592 CA SER B 18 11.457 -5.641 0.627 1.00 0.00 C ATOM 593 C SER B 18 12.586 -6.575 1.035 1.00 0.00 C ATOM 594 O SER B 18 13.317 -6.304 1.986 1.00 0.00 O ATOM 595 CB SER B 18 10.170 -6.048 1.345 1.00 0.00 C ATOM 596 OG SER B 18 10.353 -5.926 2.750 1.00 0.00 O ATOM 0 H SER B 18 10.312 -5.931 -1.107 1.00 0.00 H new ATOM 0 HA SER B 18 11.722 -4.622 0.910 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.344 -5.417 1.019 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.907 -7.074 1.089 1.00 0.00 H new ATOM 0 HG SER B 18 9.528 -6.185 3.211 1.00 0.00 H new ATOM 602 N SER B 19 12.720 -7.670 0.312 1.00 0.00 N ATOM 603 CA SER B 19 13.770 -8.646 0.608 1.00 0.00 C ATOM 604 C SER B 19 15.118 -8.172 0.075 1.00 0.00 C ATOM 605 O SER B 19 16.167 -8.697 0.447 1.00 0.00 O ATOM 606 CB SER B 19 13.427 -9.999 -0.022 1.00 0.00 C ATOM 607 OG SER B 19 13.496 -9.885 -1.437 1.00 0.00 O ATOM 0 H SER B 19 12.124 -7.912 -0.480 1.00 0.00 H new ATOM 0 HA SER B 19 13.835 -8.752 1.691 1.00 0.00 H new ATOM 0 HB2 SER B 19 14.121 -10.763 0.328 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.428 -10.313 0.282 1.00 0.00 H new ATOM 0 HG SER B 19 12.762 -9.320 -1.756 1.00 0.00 H new ATOM 613 N SER B 20 15.079 -7.165 -0.779 1.00 0.00 N ATOM 614 CA SER B 20 16.301 -6.601 -1.350 1.00 0.00 C ATOM 615 C SER B 20 16.961 -5.641 -0.364 1.00 0.00 C ATOM 616 O SER B 20 16.286 -5.010 0.449 1.00 0.00 O ATOM 617 CB SER B 20 15.991 -5.866 -2.655 1.00 0.00 C ATOM 618 OG SER B 20 15.305 -6.747 -3.535 1.00 0.00 O ATOM 0 H SER B 20 14.219 -6.718 -1.096 1.00 0.00 H new ATOM 0 HA SER B 20 16.988 -7.421 -1.558 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.381 -4.985 -2.454 1.00 0.00 H new ATOM 0 HB3 SER B 20 16.914 -5.516 -3.118 1.00 0.00 H new ATOM 0 HG SER B 20 15.102 -6.280 -4.373 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 18.281 -5.533 -0.443 1.00 0.00 N ATOM 626 CA LYS C 1 19.024 -4.646 0.445 1.00 0.00 C ATOM 627 C LYS C 1 18.840 -3.193 0.031 1.00 0.00 C ATOM 628 O LYS C 1 19.567 -2.308 0.489 1.00 0.00 O ATOM 629 CB LYS C 1 20.511 -5.008 0.426 1.00 0.00 C ATOM 630 CG LYS C 1 20.704 -6.402 1.028 1.00 0.00 C ATOM 631 CD LYS C 1 22.190 -6.765 1.008 1.00 0.00 C ATOM 632 CE LYS C 1 22.385 -8.159 1.607 1.00 0.00 C ATOM 633 NZ LYS C 1 23.831 -8.517 1.575 1.00 0.00 N ATOM 0 H3 LYS C 1 18.118 -6.443 0.033 1.00 0.00 H new ATOM 0 HA LYS C 1 18.638 -4.771 1.457 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.889 -4.986 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.083 -4.273 0.993 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.327 -6.424 2.051 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.132 -7.137 0.462 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.567 -6.741 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.762 -6.031 1.576 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.017 -8.180 2.633 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.806 -8.892 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.963 -9.465 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 24.168 -8.513 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.373 -7.823 2.129 1.00 0.00 H new ATOM 647 N ASN C 2 17.882 -2.957 -0.860 1.00 0.00 N ATOM 648 CA ASN C 2 17.637 -1.613 -1.350 1.00 0.00 C ATOM 649 C ASN C 2 17.243 -0.681 -0.200 1.00 0.00 C ATOM 650 O ASN C 2 16.601 -1.107 0.762 1.00 0.00 O ATOM 651 CB ASN C 2 16.516 -1.633 -2.397 1.00 0.00 C ATOM 652 CG ASN C 2 15.202 -2.036 -1.744 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.202 -2.700 -0.709 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.072 -1.665 -2.284 1.00 0.00 N ATOM 0 H ASN C 2 17.271 -3.673 -1.252 1.00 0.00 H new ATOM 0 HA ASN C 2 18.555 -1.242 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.417 -0.649 -2.855 1.00 0.00 H new ATOM 0 HB3 ASN C 2 16.765 -2.333 -3.195 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.188 -1.926 -1.847 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.074 -1.114 -3.143 1.00 0.00 H new ATOM 661 N PRO C 3 17.616 0.573 -0.279 1.00 0.00 N ATOM 662 CA PRO C 3 17.301 1.577 0.783 1.00 0.00 C ATOM 663 C PRO C 3 15.805 1.861 0.889 1.00 0.00 C ATOM 664 O PRO C 3 15.320 2.299 1.931 1.00 0.00 O ATOM 665 CB PRO C 3 18.081 2.827 0.340 1.00 0.00 C ATOM 666 CG PRO C 3 18.263 2.668 -1.136 1.00 0.00 C ATOM 667 CD PRO C 3 18.376 1.176 -1.388 1.00 0.00 C ATOM 0 HA PRO C 3 17.582 1.227 1.776 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.531 3.739 0.574 1.00 0.00 H new ATOM 0 HB3 PRO C 3 19.041 2.894 0.851 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.420 3.092 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.157 3.190 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.957 0.901 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.415 0.848 -1.386 1.00 0.00 H new ATOM 675 N GLU C 4 15.086 1.611 -0.192 1.00 0.00 N ATOM 676 CA GLU C 4 13.648 1.847 -0.218 1.00 0.00 C ATOM 677 C GLU C 4 12.935 0.922 0.759 1.00 0.00 C ATOM 678 O GLU C 4 11.754 1.111 1.063 1.00 0.00 O ATOM 679 CB GLU C 4 13.103 1.633 -1.633 1.00 0.00 C ATOM 680 CG GLU C 4 13.606 2.750 -2.566 1.00 0.00 C ATOM 681 CD GLU C 4 15.008 2.429 -3.068 1.00 0.00 C ATOM 682 OE1 GLU C 4 15.502 3.165 -3.902 1.00 0.00 O ATOM 683 OE2 GLU C 4 15.574 1.465 -2.597 1.00 0.00 O ATOM 0 H GLU C 4 15.471 1.245 -1.063 1.00 0.00 H new ATOM 0 HA GLU C 4 13.464 2.879 0.082 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.421 0.661 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.013 1.627 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.926 2.861 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU C 4 13.612 3.702 -2.035 1.00 0.00 H new ATOM 690 N ALA C 5 13.657 -0.079 1.243 1.00 0.00 N ATOM 691 CA ALA C 5 13.084 -1.036 2.180 1.00 0.00 C ATOM 692 C ALA C 5 12.573 -0.313 3.425 1.00 0.00 C ATOM 693 O ALA C 5 11.592 -0.734 4.043 1.00 0.00 O ATOM 694 CB ALA C 5 14.138 -2.067 2.583 1.00 0.00 C ATOM 0 H ALA C 5 14.634 -0.249 1.005 1.00 0.00 H new ATOM 0 HA ALA C 5 12.250 -1.544 1.695 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.701 -2.779 3.284 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.486 -2.597 1.697 1.00 0.00 H new ATOM 0 HB3 ALA C 5 14.979 -1.561 3.057 1.00 0.00 H new ATOM 700 N GLU C 6 13.237 0.780 3.787 1.00 0.00 N ATOM 701 CA GLU C 6 12.830 1.551 4.958 1.00 0.00 C ATOM 702 C GLU C 6 11.412 2.096 4.775 1.00 0.00 C ATOM 703 O GLU C 6 10.599 2.091 5.710 1.00 0.00 O ATOM 704 CB GLU C 6 13.802 2.713 5.174 1.00 0.00 C ATOM 705 CG GLU C 6 15.155 2.171 5.636 1.00 0.00 C ATOM 706 CD GLU C 6 16.161 3.311 5.760 1.00 0.00 C ATOM 707 OE1 GLU C 6 17.258 3.059 6.232 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.822 4.418 5.375 1.00 0.00 O ATOM 0 H GLU C 6 14.050 1.149 3.294 1.00 0.00 H new ATOM 0 HA GLU C 6 12.844 0.896 5.829 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.922 3.277 4.249 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.402 3.402 5.918 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.045 1.667 6.596 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.520 1.429 4.926 1.00 0.00 H new ATOM 715 N GLU C 7 11.113 2.551 3.565 1.00 0.00 N ATOM 716 CA GLU C 7 9.793 3.084 3.263 1.00 0.00 C ATOM 717 C GLU C 7 8.741 1.984 3.379 1.00 0.00 C ATOM 718 O GLU C 7 7.615 2.222 3.817 1.00 0.00 O ATOM 719 CB GLU C 7 9.768 3.695 1.862 1.00 0.00 C ATOM 720 CG GLU C 7 8.456 4.462 1.664 1.00 0.00 C ATOM 721 CD GLU C 7 8.397 5.652 2.627 1.00 0.00 C ATOM 722 OE1 GLU C 7 7.302 6.024 3.027 1.00 0.00 O ATOM 723 OE2 GLU C 7 9.451 6.175 2.947 1.00 0.00 O ATOM 0 H GLU C 7 11.765 2.561 2.780 1.00 0.00 H new ATOM 0 HA GLU C 7 9.563 3.868 3.985 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.617 4.365 1.731 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.861 2.912 1.110 1.00 0.00 H new ATOM 0 HG2 GLU C 7 8.381 4.812 0.634 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.608 3.800 1.838 1.00 0.00 H new ATOM 730 N ILE C 8 9.120 0.777 2.987 1.00 0.00 N ATOM 731 CA ILE C 8 8.205 -0.366 3.061 1.00 0.00 C ATOM 732 C ILE C 8 7.794 -0.608 4.508 1.00 0.00 C ATOM 733 O ILE C 8 6.636 -0.919 4.788 1.00 0.00 O ATOM 734 CB ILE C 8 8.884 -1.616 2.499 1.00 0.00 C ATOM 735 CG1 ILE C 8 9.364 -1.336 1.069 1.00 0.00 C ATOM 736 CG2 ILE C 8 7.890 -2.779 2.488 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.182 -0.903 0.187 1.00 0.00 C ATOM 0 H ILE C 8 10.045 0.558 2.617 1.00 0.00 H new ATOM 0 HA ILE C 8 7.316 -0.147 2.469 1.00 0.00 H new ATOM 0 HB ILE C 8 9.738 -1.878 3.124 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.125 -0.555 1.079 1.00 0.00 H new ATOM 0 HG13 ILE C 8 9.830 -2.229 0.653 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.376 -3.669 2.087 1.00 0.00 H new ATOM 0 HG22 ILE C 8 7.551 -2.977 3.505 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.034 -2.520 1.864 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.536 -0.707 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE C 8 7.436 -1.697 0.163 1.00 0.00 H new ATOM 0 HD13 ILE C 8 7.735 0.003 0.597 1.00 0.00 H new ATOM 749 N THR C 9 8.742 -0.447 5.422 1.00 0.00 N ATOM 750 CA THR C 9 8.459 -0.632 6.844 1.00 0.00 C ATOM 751 C THR C 9 7.380 0.354 7.290 1.00 0.00 C ATOM 752 O THR C 9 6.464 -0.005 8.031 1.00 0.00 O ATOM 753 CB THR C 9 9.728 -0.409 7.664 1.00 0.00 C ATOM 754 OG1 THR C 9 10.699 -1.380 7.298 1.00 0.00 O ATOM 755 CG2 THR C 9 9.403 -0.540 9.154 1.00 0.00 C ATOM 0 H THR C 9 9.706 -0.191 5.210 1.00 0.00 H new ATOM 0 HA THR C 9 8.106 -1.651 7.004 1.00 0.00 H new ATOM 0 HB THR C 9 10.121 0.589 7.469 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.516 -1.239 7.821 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.309 -0.381 9.739 1.00 0.00 H new ATOM 0 HG22 THR C 9 8.657 0.205 9.430 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.012 -1.537 9.355 1.00 0.00 H new ATOM 763 N ARG C 10 7.477 1.590 6.811 1.00 0.00 N ATOM 764 CA ARG C 10 6.478 2.606 7.147 1.00 0.00 C ATOM 765 C ARG C 10 5.100 2.184 6.638 1.00 0.00 C ATOM 766 O ARG C 10 4.092 2.373 7.319 1.00 0.00 O ATOM 767 CB ARG C 10 6.867 3.943 6.517 1.00 0.00 C ATOM 768 CG ARG C 10 8.053 4.543 7.273 1.00 0.00 C ATOM 769 CD ARG C 10 8.603 5.736 6.492 1.00 0.00 C ATOM 770 NE ARG C 10 7.542 6.697 6.216 1.00 0.00 N ATOM 771 CZ ARG C 10 7.208 7.630 7.102 1.00 0.00 C ATOM 772 NH1 ARG C 10 6.255 8.476 6.828 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.836 7.700 8.244 1.00 0.00 N ATOM 0 H ARG C 10 8.225 1.912 6.197 1.00 0.00 H new ATOM 0 HA ARG C 10 6.439 2.712 8.231 1.00 0.00 H new ATOM 0 HB2 ARG C 10 7.127 3.800 5.468 1.00 0.00 H new ATOM 0 HB3 ARG C 10 6.021 4.629 6.545 1.00 0.00 H new ATOM 0 HG2 ARG C 10 7.741 4.859 8.269 1.00 0.00 H new ATOM 0 HG3 ARG C 10 8.831 3.792 7.406 1.00 0.00 H new ATOM 0 HD2 ARG C 10 9.398 6.217 7.062 1.00 0.00 H new ATOM 0 HD3 ARG C 10 9.044 5.394 5.556 1.00 0.00 H new ATOM 0 HE ARG C 10 7.046 6.653 5.326 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.766 8.422 5.934 1.00 0.00 H new ATOM 0 HH12 ARG C 10 5.998 9.192 7.507 1.00 0.00 H new ATOM 0 HH21 ARG C 10 8.583 7.039 8.457 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.580 8.416 8.924 1.00 0.00 H new ATOM 787 N CYS C 11 5.065 1.602 5.445 1.00 0.00 N ATOM 788 CA CYS C 11 3.806 1.142 4.867 1.00 0.00 C ATOM 789 C CYS C 11 3.100 0.188 5.825 1.00 0.00 C ATOM 790 O CYS C 11 1.894 0.294 6.049 1.00 0.00 O ATOM 791 CB CYS C 11 4.074 0.434 3.540 1.00 0.00 C ATOM 792 SG CYS C 11 2.502 0.152 2.680 1.00 0.00 S ATOM 0 H CYS C 11 5.886 1.438 4.862 1.00 0.00 H new ATOM 0 HA CYS C 11 3.164 2.006 4.693 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.737 1.038 2.920 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.580 -0.515 3.717 1.00 0.00 H new ATOM 797 N LYS C 12 3.862 -0.740 6.396 1.00 0.00 N ATOM 798 CA LYS C 12 3.299 -1.704 7.340 1.00 0.00 C ATOM 799 C LYS C 12 2.752 -0.982 8.569 1.00 0.00 C ATOM 800 O LYS C 12 1.679 -1.315 9.072 1.00 0.00 O ATOM 801 CB LYS C 12 4.376 -2.701 7.769 1.00 0.00 C ATOM 802 CG LYS C 12 4.756 -3.584 6.579 1.00 0.00 C ATOM 803 CD LYS C 12 5.862 -4.553 6.996 1.00 0.00 C ATOM 804 CE LYS C 12 6.304 -5.375 5.784 1.00 0.00 C ATOM 805 NZ LYS C 12 5.150 -6.166 5.273 1.00 0.00 N ATOM 0 H LYS C 12 4.862 -0.846 6.225 1.00 0.00 H new ATOM 0 HA LYS C 12 2.485 -2.239 6.850 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.254 -2.169 8.136 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.010 -3.317 8.590 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.884 -4.138 6.231 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.094 -2.966 5.747 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.709 -4.001 7.403 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.503 -5.213 7.785 1.00 0.00 H new ATOM 0 HE2 LYS C 12 6.681 -4.716 5.002 1.00 0.00 H new ATOM 0 HE3 LYS C 12 7.121 -6.041 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 5.497 -6.925 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 4.632 -6.582 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 4.514 -5.544 4.735 1.00 0.00 H new ATOM 819 N LYS C 13 3.488 0.021 9.035 1.00 0.00 N ATOM 820 CA LYS C 13 3.062 0.798 10.195 1.00 0.00 C ATOM 821 C LYS C 13 1.755 1.526 9.891 1.00 0.00 C ATOM 822 O LYS C 13 0.868 1.612 10.739 1.00 0.00 O ATOM 823 CB LYS C 13 4.144 1.808 10.581 1.00 0.00 C ATOM 824 CG LYS C 13 3.720 2.552 11.850 1.00 0.00 C ATOM 825 CD LYS C 13 4.830 3.517 12.269 1.00 0.00 C ATOM 826 CE LYS C 13 4.391 4.288 13.516 1.00 0.00 C ATOM 827 NZ LYS C 13 4.184 3.335 14.642 1.00 0.00 N ATOM 0 H LYS C 13 4.377 0.315 8.631 1.00 0.00 H new ATOM 0 HA LYS C 13 2.901 0.117 11.030 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.092 1.296 10.747 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.302 2.516 9.767 1.00 0.00 H new ATOM 0 HG2 LYS C 13 2.795 3.100 11.671 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.519 1.841 12.652 1.00 0.00 H new ATOM 0 HD2 LYS C 13 5.748 2.966 12.473 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.049 4.211 11.457 1.00 0.00 H new ATOM 0 HE2 LYS C 13 5.146 5.026 13.785 1.00 0.00 H new ATOM 0 HE3 LYS C 13 3.470 4.834 13.313 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 4.222 3.851 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 3.255 2.877 14.543 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 4.930 2.611 14.626 1.00 0.00 H new ATOM 841 N LEU C 14 1.648 2.058 8.679 1.00 0.00 N ATOM 842 CA LEU C 14 0.444 2.784 8.284 1.00 0.00 C ATOM 843 C LEU C 14 -0.768 1.865 8.316 1.00 0.00 C ATOM 844 O LEU C 14 -1.835 2.253 8.789 1.00 0.00 O ATOM 845 CB LEU C 14 0.633 3.336 6.866 1.00 0.00 C ATOM 846 CG LEU C 14 1.543 4.579 6.905 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.236 4.761 5.546 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.688 5.823 7.198 1.00 0.00 C ATOM 0 H LEU C 14 2.369 2.003 7.960 1.00 0.00 H new ATOM 0 HA LEU C 14 0.277 3.603 8.984 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.073 2.572 6.225 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.334 3.596 6.435 1.00 0.00 H new ATOM 0 HG LEU C 14 2.295 4.448 7.683 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.878 5.641 5.580 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.839 3.881 5.324 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.483 4.890 4.768 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.327 6.705 7.227 1.00 0.00 H new ATOM 0 HD22 LEU C 14 -0.061 5.943 6.415 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.190 5.704 8.160 1.00 0.00 H new ATOM 860 N LEU C 15 -0.593 0.648 7.820 1.00 0.00 N ATOM 861 CA LEU C 15 -1.680 -0.323 7.812 1.00 0.00 C ATOM 862 C LEU C 15 -2.078 -0.690 9.238 1.00 0.00 C ATOM 863 O LEU C 15 -3.260 -0.822 9.549 1.00 0.00 O ATOM 864 CB LEU C 15 -1.249 -1.581 7.057 1.00 0.00 C ATOM 865 CG LEU C 15 -1.061 -1.244 5.571 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.440 -2.443 4.852 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.417 -0.898 4.926 1.00 0.00 C ATOM 0 H LEU C 15 0.283 0.311 7.421 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.540 0.122 7.311 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.319 -1.968 7.474 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -2.000 -2.363 7.172 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.400 -0.381 5.483 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -0.306 -2.205 3.797 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.528 -2.673 5.298 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -1.099 -3.306 4.948 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.269 -0.661 3.872 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -3.090 -1.751 5.015 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.852 -0.037 5.434 1.00 0.00 H new ATOM 879 N ASP C 16 -1.084 -0.840 10.100 1.00 0.00 N ATOM 880 CA ASP C 16 -1.335 -1.181 11.498 1.00 0.00 C ATOM 881 C ASP C 16 -2.137 -0.076 12.181 1.00 0.00 C ATOM 882 O ASP C 16 -3.005 -0.345 13.009 1.00 0.00 O ATOM 883 CB ASP C 16 -0.012 -1.390 12.234 1.00 0.00 C ATOM 884 CG ASP C 16 0.635 -2.698 11.783 1.00 0.00 C ATOM 885 OD1 ASP C 16 1.806 -2.884 12.068 1.00 0.00 O ATOM 886 OD2 ASP C 16 -0.051 -3.493 11.164 1.00 0.00 O ATOM 0 H ASP C 16 -0.098 -0.732 9.861 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.912 -2.105 11.530 1.00 0.00 H new ATOM 0 HB2 ASP C 16 0.660 -0.555 12.036 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -0.184 -1.412 13.310 1.00 0.00 H new ATOM 891 N ASP C 17 -1.839 1.165 11.821 1.00 0.00 N ATOM 892 CA ASP C 17 -2.531 2.315 12.394 1.00 0.00 C ATOM 893 C ASP C 17 -4.010 2.282 12.019 1.00 0.00 C ATOM 894 O ASP C 17 -4.805 3.072 12.520 1.00 0.00 O ATOM 895 CB ASP C 17 -1.900 3.615 11.903 1.00 0.00 C ATOM 896 CG ASP C 17 -0.526 3.800 12.539 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.222 4.634 12.055 1.00 0.00 O ATOM 898 OD2 ASP C 17 -0.242 3.108 13.503 1.00 0.00 O ATOM 0 H ASP C 17 -1.123 1.403 11.135 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.439 2.267 13.479 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.808 3.597 10.817 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.543 4.459 12.154 1.00 0.00 H new ATOM 903 N SER C 18 -4.368 1.373 11.123 1.00 0.00 N ATOM 904 CA SER C 18 -5.749 1.255 10.677 1.00 0.00 C ATOM 905 C SER C 18 -6.675 1.017 11.860 1.00 0.00 C ATOM 906 O SER C 18 -7.825 1.457 11.860 1.00 0.00 O ATOM 907 CB SER C 18 -5.882 0.103 9.682 1.00 0.00 C ATOM 908 OG SER C 18 -7.221 0.040 9.206 1.00 0.00 O ATOM 0 H SER C 18 -3.724 0.709 10.692 1.00 0.00 H new ATOM 0 HA SER C 18 -6.033 2.188 10.190 1.00 0.00 H new ATOM 0 HB2 SER C 18 -5.195 0.247 8.848 1.00 0.00 H new ATOM 0 HB3 SER C 18 -5.610 -0.838 10.160 1.00 0.00 H new ATOM 0 HG SER C 18 -7.307 -0.698 8.567 1.00 0.00 H new ATOM 914 N SER C 19 -6.170 0.321 12.858 1.00 0.00 N ATOM 915 CA SER C 19 -6.964 0.026 14.051 1.00 0.00 C ATOM 916 C SER C 19 -7.027 1.238 14.974 1.00 0.00 C ATOM 917 O SER C 19 -7.858 1.301 15.880 1.00 0.00 O ATOM 918 CB SER C 19 -6.357 -1.157 14.811 1.00 0.00 C ATOM 919 OG SER C 19 -5.101 -0.768 15.351 1.00 0.00 O ATOM 0 H SER C 19 -5.221 -0.052 12.875 1.00 0.00 H new ATOM 0 HA SER C 19 -7.974 -0.226 13.729 1.00 0.00 H new ATOM 0 HB2 SER C 19 -7.027 -1.475 15.610 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.231 -2.009 14.143 1.00 0.00 H new ATOM 0 HG SER C 19 -4.457 -0.640 14.623 1.00 0.00 H new ATOM 925 N SER C 20 -6.164 2.204 14.717 1.00 0.00 N ATOM 926 CA SER C 20 -6.134 3.431 15.512 1.00 0.00 C ATOM 927 C SER C 20 -7.219 4.399 15.045 1.00 0.00 C ATOM 928 O SER C 20 -7.595 4.407 13.873 1.00 0.00 O ATOM 929 CB SER C 20 -4.766 4.105 15.403 1.00 0.00 C ATOM 930 OG SER C 20 -3.755 3.171 15.762 1.00 0.00 O ATOM 0 H SER C 20 -5.474 2.169 13.967 1.00 0.00 H new ATOM 0 HA SER C 20 -6.319 3.165 16.553 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.603 4.462 14.386 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.723 4.975 16.058 1.00 0.00 H new ATOM 0 HG SER C 20 -2.876 3.598 15.692 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.694 0.685 -1.936 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.550 1.112 -1.437 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.669 1.513 -0.094 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.457 1.489 0.752 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.702 1.062 0.251 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.821 0.661 -1.093 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.824 0.254 -3.374 1.00 0.00 C HETATM 944 C8 ZBR A 100 -2.007 1.964 0.437 1.00 0.00 C HETATM 945 C9 ZBR A 100 2.907 1.032 1.157 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.785 0.332 -1.481 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.365 1.800 1.793 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.422 1.132 -2.091 1.00 0.00 H new