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 Set 1.1: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 1 LYS N :NH3+ -159:sc= -0.094 (180deg=-0.656) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS N :NH3+ -159:sc= -0.0683 (180deg=-0.643) USER MOD Set 3.1: A 1 LYS N :NH3+ -160:sc= -0.075 (180deg=-0.499) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= -0.0256 (180deg=-0.401) USER MOD Single : A 2 ASN : amide:sc= -3.31 K(o=-3.3,f=-7.9!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0787) USER MOD Single : A 18 SER OG : rot -80:sc= 1.27 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS NZ :NH3+ -165:sc= -0.0166 (180deg=-0.371) USER MOD Single : B 2 ASN : amide:sc= -2.88 K(o=-2.9,f=-7.3!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0572) USER MOD Single : B 18 SER OG : rot -103:sc= 1.27 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS NZ :NH3+ -164:sc= -0.0233 (180deg=-0.363) USER MOD Single : C 2 ASN : amide:sc= -3 K(o=-3,f=-7!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0638) USER MOD Single : C 18 SER OG : rot -110:sc= 1.25 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.309 5.737 16.145 1.00 0.00 N ATOM 2 CA LYS A 1 -7.389 6.673 15.846 1.00 0.00 C ATOM 3 C LYS A 1 -6.858 7.835 15.020 1.00 0.00 C ATOM 4 O LYS A 1 -7.536 8.846 14.834 1.00 0.00 O ATOM 5 CB LYS A 1 -8.000 7.210 17.141 1.00 0.00 C ATOM 6 CG LYS A 1 -8.640 6.060 17.918 1.00 0.00 C ATOM 7 CD LYS A 1 -9.245 6.596 19.216 1.00 0.00 C ATOM 8 CE LYS A 1 -9.798 5.431 20.043 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.891 4.753 19.290 1.00 0.00 N ATOM 0 H3 LYS A 1 -6.711 4.812 16.398 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.156 6.145 15.280 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.231 7.689 17.747 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.747 7.971 16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.412 5.584 17.314 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.894 5.297 18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.488 7.134 19.787 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.041 7.307 18.992 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.002 4.720 20.265 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.174 5.797 20.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.440 4.154 19.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.516 5.468 18.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.481 4.163 18.538 1.00 0.00 H new ATOM 23 N ASN A 2 -5.630 7.686 14.546 1.00 0.00 N ATOM 24 CA ASN A 2 -4.988 8.730 13.757 1.00 0.00 C ATOM 25 C ASN A 2 -5.735 8.969 12.439 1.00 0.00 C ATOM 26 O ASN A 2 -6.342 8.049 11.892 1.00 0.00 O ATOM 27 CB ASN A 2 -3.534 8.321 13.482 1.00 0.00 C ATOM 28 CG ASN A 2 -3.485 6.988 12.740 1.00 0.00 C ATOM 29 OD1 ASN A 2 -4.458 6.234 12.745 1.00 0.00 O ATOM 30 ND2 ASN A 2 -2.392 6.648 12.112 1.00 0.00 N ATOM 0 H ASN A 2 -5.058 6.854 14.693 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.010 9.664 14.319 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.039 9.091 12.891 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.988 8.241 14.422 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.342 5.754 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.588 7.276 12.111 1.00 0.00 H new ATOM 37 N PRO A 3 -5.703 10.179 11.913 1.00 0.00 N ATOM 38 CA PRO A 3 -6.394 10.513 10.626 1.00 0.00 C ATOM 39 C PRO A 3 -5.798 9.748 9.441 1.00 0.00 C ATOM 40 O PRO A 3 -6.432 9.617 8.395 1.00 0.00 O ATOM 41 CB PRO A 3 -6.191 12.033 10.479 1.00 0.00 C ATOM 42 CG PRO A 3 -4.981 12.338 11.298 1.00 0.00 C ATOM 43 CD PRO A 3 -5.022 11.367 12.474 1.00 0.00 C ATOM 0 HA PRO A 3 -7.447 10.230 10.637 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.043 12.313 9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.060 12.584 10.837 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.070 12.207 10.714 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.993 13.372 11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.021 11.125 12.831 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.570 11.783 13.320 1.00 0.00 H new ATOM 51 N GLU A 4 -4.581 9.245 9.616 1.00 0.00 N ATOM 52 CA GLU A 4 -3.912 8.494 8.557 1.00 0.00 C ATOM 53 C GLU A 4 -4.681 7.216 8.236 1.00 0.00 C ATOM 54 O GLU A 4 -4.449 6.587 7.206 1.00 0.00 O ATOM 55 CB GLU A 4 -2.482 8.148 8.969 1.00 0.00 C ATOM 56 CG GLU A 4 -1.653 9.430 9.039 1.00 0.00 C ATOM 57 CD GLU A 4 -0.235 9.109 9.495 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.576 10.020 9.528 1.00 0.00 O ATOM 59 OE2 GLU A 4 0.020 7.957 9.807 1.00 0.00 O ATOM 0 H GLU A 4 -4.039 9.342 10.475 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.882 9.119 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.481 7.647 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.042 7.455 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.629 9.911 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.115 10.135 9.730 1.00 0.00 H new ATOM 66 N ALA A 5 -5.596 6.843 9.125 1.00 0.00 N ATOM 67 CA ALA A 5 -6.400 5.640 8.939 1.00 0.00 C ATOM 68 C ALA A 5 -7.183 5.717 7.630 1.00 0.00 C ATOM 69 O ALA A 5 -7.523 4.692 7.037 1.00 0.00 O ATOM 70 CB ALA A 5 -7.368 5.477 10.113 1.00 0.00 C ATOM 0 H ALA A 5 -5.799 7.357 9.982 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.734 4.778 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.966 4.577 9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.803 5.393 11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.025 6.345 10.166 1.00 0.00 H new ATOM 76 N GLU A 6 -7.471 6.933 7.183 1.00 0.00 N ATOM 77 CA GLU A 6 -8.214 7.124 5.941 1.00 0.00 C ATOM 78 C GLU A 6 -7.438 6.528 4.764 1.00 0.00 C ATOM 79 O GLU A 6 -8.026 5.929 3.863 1.00 0.00 O ATOM 80 CB GLU A 6 -8.446 8.619 5.702 1.00 0.00 C ATOM 81 CG GLU A 6 -9.387 9.176 6.775 1.00 0.00 C ATOM 82 CD GLU A 6 -10.777 8.567 6.623 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.517 8.578 7.592 1.00 0.00 O ATOM 84 OE2 GLU A 6 -11.083 8.103 5.537 1.00 0.00 O ATOM 0 H GLU A 6 -7.205 7.796 7.657 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.175 6.617 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.496 9.152 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.875 8.776 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.991 8.955 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.446 10.261 6.690 1.00 0.00 H new ATOM 91 N GLU A 7 -6.117 6.678 4.788 1.00 0.00 N ATOM 92 CA GLU A 7 -5.269 6.133 3.729 1.00 0.00 C ATOM 93 C GLU A 7 -5.374 4.611 3.681 1.00 0.00 C ATOM 94 O GLU A 7 -5.384 4.017 2.606 1.00 0.00 O ATOM 95 CB GLU A 7 -3.811 6.555 3.952 1.00 0.00 C ATOM 96 CG GLU A 7 -3.642 8.034 3.592 1.00 0.00 C ATOM 97 CD GLU A 7 -3.790 8.210 2.081 1.00 0.00 C ATOM 98 OE1 GLU A 7 -4.699 8.911 1.664 1.00 0.00 O ATOM 99 OE2 GLU A 7 -2.980 7.647 1.364 1.00 0.00 O ATOM 0 H GLU A 7 -5.611 7.170 5.525 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.613 6.531 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.529 6.389 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.148 5.944 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.388 8.634 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.664 8.389 3.916 1.00 0.00 H new ATOM 106 N ILE A 8 -5.463 3.987 4.848 1.00 0.00 N ATOM 107 CA ILE A 8 -5.579 2.533 4.919 1.00 0.00 C ATOM 108 C ILE A 8 -6.869 2.087 4.228 1.00 0.00 C ATOM 109 O ILE A 8 -6.867 1.131 3.453 1.00 0.00 O ATOM 110 CB ILE A 8 -5.575 2.088 6.392 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.142 2.126 6.940 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.122 0.658 6.524 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.529 3.508 6.719 1.00 0.00 C ATOM 0 H ILE A 8 -5.457 4.458 5.753 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.732 2.071 4.411 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.210 2.768 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.145 1.887 8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.535 1.368 6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.112 0.360 7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.144 0.623 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.499 -0.025 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.512 3.522 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.509 3.731 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.128 4.258 7.235 1.00 0.00 H new ATOM 125 N THR A 9 -7.963 2.787 4.509 1.00 0.00 N ATOM 126 CA THR A 9 -9.242 2.446 3.898 1.00 0.00 C ATOM 127 C THR A 9 -9.150 2.599 2.382 1.00 0.00 C ATOM 128 O THR A 9 -9.621 1.747 1.629 1.00 0.00 O ATOM 129 CB THR A 9 -10.344 3.355 4.446 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.457 3.159 5.846 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.675 3.018 3.773 1.00 0.00 C ATOM 0 H THR A 9 -7.991 3.583 5.147 1.00 0.00 H new ATOM 0 HA THR A 9 -9.484 1.411 4.139 1.00 0.00 H new ATOM 0 HB THR A 9 -10.093 4.395 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.161 3.741 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.457 3.668 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.587 3.167 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.932 1.978 3.975 1.00 0.00 H new ATOM 139 N ARG A 10 -8.522 3.685 1.944 1.00 0.00 N ATOM 140 CA ARG A 10 -8.355 3.934 0.518 1.00 0.00 C ATOM 141 C ARG A 10 -7.493 2.837 -0.099 1.00 0.00 C ATOM 142 O ARG A 10 -7.764 2.360 -1.201 1.00 0.00 O ATOM 143 CB ARG A 10 -7.723 5.309 0.294 1.00 0.00 C ATOM 144 CG ARG A 10 -7.625 5.594 -1.206 1.00 0.00 C ATOM 145 CD ARG A 10 -7.182 7.045 -1.425 1.00 0.00 C ATOM 146 NE ARG A 10 -5.833 7.263 -0.905 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.756 7.010 -1.644 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.566 7.209 -1.148 1.00 0.00 N ATOM 149 NH2 ARG A 10 -4.888 6.576 -2.866 1.00 0.00 N ATOM 0 H ARG A 10 -8.123 4.401 2.551 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.332 3.924 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.321 6.079 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.732 5.342 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.913 4.912 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.590 5.422 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.208 7.281 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.880 7.721 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.715 7.617 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.462 7.558 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.739 7.016 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.818 6.430 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.061 6.383 -3.431 1.00 0.00 H new ATOM 163 N CYS A 11 -6.455 2.442 0.627 1.00 0.00 N ATOM 164 CA CYS A 11 -5.551 1.399 0.158 1.00 0.00 C ATOM 165 C CYS A 11 -6.324 0.138 -0.206 1.00 0.00 C ATOM 166 O CYS A 11 -6.078 -0.476 -1.244 1.00 0.00 O ATOM 167 CB CYS A 11 -4.543 1.063 1.256 1.00 0.00 C ATOM 168 SG CYS A 11 -3.178 0.109 0.539 1.00 0.00 S ATOM 0 H CYS A 11 -6.218 2.827 1.541 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.034 1.766 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.164 1.978 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.026 0.490 2.048 1.00 0.00 H new ATOM 173 N LYS A 12 -7.250 -0.256 0.660 1.00 0.00 N ATOM 174 CA LYS A 12 -8.033 -1.454 0.411 1.00 0.00 C ATOM 175 C LYS A 12 -8.848 -1.287 -0.864 1.00 0.00 C ATOM 176 O LYS A 12 -8.938 -2.199 -1.684 1.00 0.00 O ATOM 177 CB LYS A 12 -8.963 -1.730 1.601 1.00 0.00 C ATOM 178 CG LYS A 12 -9.758 -3.038 1.403 1.00 0.00 C ATOM 179 CD LYS A 12 -8.823 -4.254 1.470 1.00 0.00 C ATOM 180 CE LYS A 12 -9.644 -5.543 1.490 1.00 0.00 C ATOM 181 NZ LYS A 12 -8.713 -6.701 1.560 1.00 0.00 N ATOM 0 H LYS A 12 -7.473 0.230 1.528 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.357 -2.301 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.375 -1.795 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.655 -0.897 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.528 -3.122 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.268 -3.018 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.151 -4.254 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.200 -4.196 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.318 -5.548 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.264 -5.610 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.260 -7.586 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.087 -6.694 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.140 -6.634 2.425 1.00 0.00 H new ATOM 195 N LYS A 13 -9.438 -0.109 -1.020 1.00 0.00 N ATOM 196 CA LYS A 13 -10.247 0.181 -2.197 1.00 0.00 C ATOM 197 C LYS A 13 -9.396 0.100 -3.459 1.00 0.00 C ATOM 198 O LYS A 13 -9.845 -0.397 -4.491 1.00 0.00 O ATOM 199 CB LYS A 13 -10.865 1.579 -2.075 1.00 0.00 C ATOM 200 CG LYS A 13 -11.927 1.617 -0.960 1.00 0.00 C ATOM 201 CD LYS A 13 -13.173 0.810 -1.365 1.00 0.00 C ATOM 202 CE LYS A 13 -14.347 1.189 -0.455 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.057 0.756 0.941 1.00 0.00 N ATOM 0 H LYS A 13 -9.372 0.658 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.044 -0.559 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.084 2.309 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.319 1.864 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.509 1.211 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.208 2.650 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.427 1.011 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.969 -0.258 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.511 2.266 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.263 0.717 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.904 0.890 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.788 -0.249 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.276 1.325 1.326 1.00 0.00 H new ATOM 217 N LEU A 14 -8.165 0.580 -3.369 1.00 0.00 N ATOM 218 CA LEU A 14 -7.263 0.547 -4.512 1.00 0.00 C ATOM 219 C LEU A 14 -6.991 -0.895 -4.938 1.00 0.00 C ATOM 220 O LEU A 14 -6.971 -1.204 -6.129 1.00 0.00 O ATOM 221 CB LEU A 14 -5.942 1.222 -4.127 1.00 0.00 C ATOM 222 CG LEU A 14 -6.132 2.747 -3.980 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.902 3.367 -3.276 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.300 3.394 -5.369 1.00 0.00 C ATOM 0 H LEU A 14 -7.769 0.994 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.726 1.076 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.574 0.804 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.188 1.016 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.025 2.932 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.044 4.443 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.786 2.923 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.008 3.172 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.433 4.470 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.412 3.200 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.174 2.970 -5.864 1.00 0.00 H new ATOM 236 N LEU A 15 -6.788 -1.774 -3.965 1.00 0.00 N ATOM 237 CA LEU A 15 -6.524 -3.176 -4.267 1.00 0.00 C ATOM 238 C LEU A 15 -7.742 -3.816 -4.940 1.00 0.00 C ATOM 239 O LEU A 15 -7.612 -4.576 -5.898 1.00 0.00 O ATOM 240 CB LEU A 15 -6.185 -3.919 -2.974 1.00 0.00 C ATOM 241 CG LEU A 15 -4.847 -3.410 -2.416 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.623 -4.017 -1.030 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.681 -3.798 -3.349 1.00 0.00 C ATOM 0 H LEU A 15 -6.801 -1.546 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.680 -3.241 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.976 -3.769 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.126 -4.991 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.882 -2.323 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.675 -3.661 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.435 -3.719 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.599 -5.104 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.744 -3.427 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.633 -4.883 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.841 -3.358 -4.333 1.00 0.00 H new ATOM 255 N ASP A 16 -8.930 -3.488 -4.437 1.00 0.00 N ATOM 256 CA ASP A 16 -10.176 -4.018 -4.994 1.00 0.00 C ATOM 257 C ASP A 16 -10.363 -3.547 -6.434 1.00 0.00 C ATOM 258 O ASP A 16 -10.860 -4.284 -7.286 1.00 0.00 O ATOM 259 CB ASP A 16 -11.364 -3.575 -4.138 1.00 0.00 C ATOM 260 CG ASP A 16 -11.353 -4.324 -2.809 1.00 0.00 C ATOM 261 OD1 ASP A 16 -12.080 -3.920 -1.918 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.613 -5.289 -2.701 1.00 0.00 O ATOM 0 H ASP A 16 -9.058 -2.858 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.122 -5.107 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.315 -2.501 -3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.297 -3.769 -4.667 1.00 0.00 H new ATOM 267 N ASP A 17 -9.964 -2.310 -6.692 1.00 0.00 N ATOM 268 CA ASP A 17 -10.087 -1.725 -8.022 1.00 0.00 C ATOM 269 C ASP A 17 -9.206 -2.469 -9.020 1.00 0.00 C ATOM 270 O ASP A 17 -9.281 -2.231 -10.224 1.00 0.00 O ATOM 271 CB ASP A 17 -9.691 -0.248 -7.992 1.00 0.00 C ATOM 272 CG ASP A 17 -10.754 0.562 -7.260 1.00 0.00 C ATOM 273 OD1 ASP A 17 -10.477 1.704 -6.931 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.829 0.030 -7.037 1.00 0.00 O ATOM 0 H ASP A 17 -9.551 -1.689 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.127 -1.812 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.727 -0.131 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.573 0.126 -9.009 1.00 0.00 H new ATOM 279 N SER A 18 -8.357 -3.355 -8.512 1.00 0.00 N ATOM 280 CA SER A 18 -7.453 -4.103 -9.374 1.00 0.00 C ATOM 281 C SER A 18 -8.232 -4.909 -10.398 1.00 0.00 C ATOM 282 O SER A 18 -7.709 -5.265 -11.454 1.00 0.00 O ATOM 283 CB SER A 18 -6.610 -5.056 -8.528 1.00 0.00 C ATOM 284 OG SER A 18 -7.456 -6.048 -7.962 1.00 0.00 O ATOM 0 H SER A 18 -8.276 -3.571 -7.518 1.00 0.00 H new ATOM 0 HA SER A 18 -6.809 -3.394 -9.895 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.841 -5.524 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.097 -4.505 -7.740 1.00 0.00 H new ATOM 0 HG SER A 18 -7.907 -5.682 -7.173 1.00 0.00 H new ATOM 290 N SER A 19 -9.484 -5.189 -10.083 1.00 0.00 N ATOM 291 CA SER A 19 -10.344 -5.951 -10.989 1.00 0.00 C ATOM 292 C SER A 19 -10.973 -5.037 -12.030 1.00 0.00 C ATOM 293 O SER A 19 -11.527 -5.496 -13.028 1.00 0.00 O ATOM 294 CB SER A 19 -11.444 -6.662 -10.200 1.00 0.00 C ATOM 295 OG SER A 19 -10.853 -7.602 -9.314 1.00 0.00 O ATOM 0 H SER A 19 -9.932 -4.904 -9.212 1.00 0.00 H new ATOM 0 HA SER A 19 -9.728 -6.692 -11.498 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.032 -5.936 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.128 -7.168 -10.882 1.00 0.00 H new ATOM 0 HG SER A 19 -11.555 -8.058 -8.805 1.00 0.00 H new ATOM 301 N SER A 20 -10.873 -3.741 -11.787 1.00 0.00 N ATOM 302 CA SER A 20 -11.424 -2.748 -12.704 1.00 0.00 C ATOM 303 C SER A 20 -10.486 -2.527 -13.884 1.00 0.00 C ATOM 304 O SER A 20 -9.266 -2.637 -13.750 1.00 0.00 O ATOM 305 CB SER A 20 -11.656 -1.423 -11.975 1.00 0.00 C ATOM 306 OG SER A 20 -12.296 -0.508 -12.856 1.00 0.00 O ATOM 0 H SER A 20 -10.416 -3.348 -10.964 1.00 0.00 H new ATOM 0 HA SER A 20 -12.377 -3.123 -13.078 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.271 -1.584 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.706 -1.012 -11.632 1.00 0.00 H new ATOM 0 HG SER A 20 -12.448 0.342 -12.392 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -11.061 -2.210 -15.037 1.00 0.00 N ATOM 314 CA LYS B 1 -10.271 -1.969 -16.238 1.00 0.00 C ATOM 315 C LYS B 1 -9.667 -0.572 -16.202 1.00 0.00 C ATOM 316 O LYS B 1 -9.141 -0.083 -17.201 1.00 0.00 O ATOM 317 CB LYS B 1 -11.148 -2.114 -17.480 1.00 0.00 C ATOM 318 CG LYS B 1 -11.665 -3.550 -17.570 1.00 0.00 C ATOM 319 CD LYS B 1 -12.548 -3.699 -18.811 1.00 0.00 C ATOM 320 CE LYS B 1 -13.150 -5.107 -18.846 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.063 -6.120 -18.951 1.00 0.00 N ATOM 0 H3 LYS B 1 -11.168 -3.234 -14.892 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.467 -2.704 -16.276 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.984 -1.417 -17.432 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.576 -1.865 -18.374 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -10.828 -4.246 -17.621 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -12.234 -3.800 -16.674 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -13.343 -2.953 -18.796 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.960 -3.521 -19.712 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -13.738 -5.283 -17.945 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -13.829 -5.201 -19.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.468 -7.037 -19.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -11.373 -5.816 -19.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -11.587 -6.215 -18.031 1.00 0.00 H new ATOM 335 N ASN B 2 -9.769 0.068 -15.047 1.00 0.00 N ATOM 336 CA ASN B 2 -9.251 1.421 -14.882 1.00 0.00 C ATOM 337 C ASN B 2 -7.724 1.454 -15.046 1.00 0.00 C ATOM 338 O ASN B 2 -7.044 0.476 -14.741 1.00 0.00 O ATOM 339 CB ASN B 2 -9.652 1.940 -13.493 1.00 0.00 C ATOM 340 CG ASN B 2 -9.099 1.032 -12.399 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.745 -0.118 -12.661 1.00 0.00 O ATOM 342 ND2 ASN B 2 -9.020 1.482 -11.177 1.00 0.00 N ATOM 0 H ASN B 2 -10.204 -0.324 -14.212 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.677 2.062 -15.654 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.276 2.954 -13.356 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.738 1.989 -13.417 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -8.664 0.881 -10.434 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.314 2.435 -10.965 1.00 0.00 H new ATOM 349 N PRO B 3 -7.169 2.556 -15.517 1.00 0.00 N ATOM 350 CA PRO B 3 -5.688 2.691 -15.708 1.00 0.00 C ATOM 351 C PRO B 3 -4.928 2.624 -14.381 1.00 0.00 C ATOM 352 O PRO B 3 -3.726 2.371 -14.357 1.00 0.00 O ATOM 353 CB PRO B 3 -5.525 4.065 -16.386 1.00 0.00 C ATOM 354 CG PRO B 3 -6.753 4.826 -16.006 1.00 0.00 C ATOM 355 CD PRO B 3 -7.871 3.791 -15.930 1.00 0.00 C ATOM 0 HA PRO B 3 -5.274 1.877 -16.303 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.623 4.572 -16.042 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.441 3.965 -17.468 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.621 5.331 -15.049 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.981 5.596 -16.743 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.636 4.078 -15.209 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.370 3.667 -16.891 1.00 0.00 H new ATOM 363 N GLU B 4 -5.640 2.853 -13.282 1.00 0.00 N ATOM 364 CA GLU B 4 -5.024 2.815 -11.958 1.00 0.00 C ATOM 365 C GLU B 4 -4.502 1.415 -11.648 1.00 0.00 C ATOM 366 O GLU B 4 -3.717 1.228 -10.721 1.00 0.00 O ATOM 367 CB GLU B 4 -6.030 3.243 -10.891 1.00 0.00 C ATOM 368 CG GLU B 4 -6.353 4.726 -11.068 1.00 0.00 C ATOM 369 CD GLU B 4 -7.394 5.158 -10.044 1.00 0.00 C ATOM 370 OE1 GLU B 4 -7.705 6.337 -10.007 1.00 0.00 O ATOM 371 OE2 GLU B 4 -7.864 4.304 -9.311 1.00 0.00 O ATOM 0 H GLU B 4 -6.638 3.066 -13.280 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.184 3.510 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.940 2.648 -10.973 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.621 3.064 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.447 5.321 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.725 4.908 -12.076 1.00 0.00 H new ATOM 378 N ALA B 5 -4.949 0.437 -12.431 1.00 0.00 N ATOM 379 CA ALA B 5 -4.533 -0.949 -12.243 1.00 0.00 C ATOM 380 C ALA B 5 -3.013 -1.073 -12.349 1.00 0.00 C ATOM 381 O ALA B 5 -2.414 -1.981 -11.772 1.00 0.00 O ATOM 382 CB ALA B 5 -5.200 -1.838 -13.294 1.00 0.00 C ATOM 0 H ALA B 5 -5.600 0.579 -13.203 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.840 -1.272 -11.248 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.886 -2.872 -13.149 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.283 -1.771 -13.193 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.907 -1.506 -14.290 1.00 0.00 H new ATOM 388 N GLU B 6 -2.395 -0.160 -13.087 1.00 0.00 N ATOM 389 CA GLU B 6 -0.946 -0.181 -13.255 1.00 0.00 C ATOM 390 C GLU B 6 -0.257 -0.017 -11.899 1.00 0.00 C ATOM 391 O GLU B 6 0.757 -0.659 -11.626 1.00 0.00 O ATOM 392 CB GLU B 6 -0.519 0.948 -14.194 1.00 0.00 C ATOM 393 CG GLU B 6 -1.042 0.671 -15.606 1.00 0.00 C ATOM 394 CD GLU B 6 -0.351 -0.556 -16.191 1.00 0.00 C ATOM 395 OE1 GLU B 6 -0.905 -1.147 -17.104 1.00 0.00 O ATOM 396 OE2 GLU B 6 0.725 -0.887 -15.719 1.00 0.00 O ATOM 0 H GLU B 6 -2.869 0.599 -13.576 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.653 -1.138 -13.686 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.907 1.901 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.568 1.031 -14.208 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.120 0.512 -15.578 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -0.864 1.537 -16.244 1.00 0.00 H new ATOM 403 N GLU B 7 -0.824 0.832 -11.047 1.00 0.00 N ATOM 404 CA GLU B 7 -0.266 1.056 -9.713 1.00 0.00 C ATOM 405 C GLU B 7 -0.297 -0.228 -8.890 1.00 0.00 C ATOM 406 O GLU B 7 0.633 -0.515 -8.140 1.00 0.00 O ATOM 407 CB GLU B 7 -1.050 2.162 -8.994 1.00 0.00 C ATOM 408 CG GLU B 7 -0.684 3.523 -9.591 1.00 0.00 C ATOM 409 CD GLU B 7 0.757 3.870 -9.222 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.569 4.019 -10.121 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.024 3.991 -8.038 1.00 0.00 O ATOM 0 H GLU B 7 -1.664 1.374 -11.252 1.00 0.00 H new ATOM 0 HA GLU B 7 0.773 1.368 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -2.121 1.986 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.823 2.148 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.797 3.499 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.361 4.290 -9.217 1.00 0.00 H new ATOM 418 N ILE B 8 -1.363 -1.003 -9.042 1.00 0.00 N ATOM 419 CA ILE B 8 -1.491 -2.263 -8.312 1.00 0.00 C ATOM 420 C ILE B 8 -0.357 -3.207 -8.715 1.00 0.00 C ATOM 421 O ILE B 8 0.267 -3.838 -7.862 1.00 0.00 O ATOM 422 CB ILE B 8 -2.857 -2.901 -8.619 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.954 -2.181 -7.822 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.849 -4.389 -8.235 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.911 -0.679 -8.104 1.00 0.00 C ATOM 0 H ILE B 8 -2.147 -0.786 -9.658 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.425 -2.074 -7.241 1.00 0.00 H new ATOM 0 HB ILE B 8 -3.054 -2.808 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.931 -2.581 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.818 -2.362 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.822 -4.827 -8.458 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -2.078 -4.908 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.641 -4.489 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.694 -0.179 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.939 -0.282 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.070 -0.504 -9.168 1.00 0.00 H new ATOM 437 N THR B 9 -0.093 -3.292 -10.014 1.00 0.00 N ATOM 438 CA THR B 9 0.974 -4.160 -10.502 1.00 0.00 C ATOM 439 C THR B 9 2.314 -3.698 -9.939 1.00 0.00 C ATOM 440 O THR B 9 3.129 -4.510 -9.495 1.00 0.00 O ATOM 441 CB THR B 9 1.015 -4.129 -12.031 1.00 0.00 C ATOM 442 OG1 THR B 9 -0.217 -4.615 -12.540 1.00 0.00 O ATOM 443 CG2 THR B 9 2.160 -5.009 -12.536 1.00 0.00 C ATOM 0 H THR B 9 -0.594 -2.779 -10.739 1.00 0.00 H new ATOM 0 HA THR B 9 0.780 -5.181 -10.173 1.00 0.00 H new ATOM 0 HB THR B 9 1.175 -3.105 -12.370 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.197 -4.596 -13.520 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.185 -4.984 -13.625 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.106 -4.637 -12.142 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.006 -6.035 -12.200 1.00 0.00 H new ATOM 451 N ARG B 10 2.528 -2.388 -9.946 1.00 0.00 N ATOM 452 CA ARG B 10 3.763 -1.824 -9.421 1.00 0.00 C ATOM 453 C ARG B 10 3.872 -2.123 -7.929 1.00 0.00 C ATOM 454 O ARG B 10 4.944 -2.453 -7.424 1.00 0.00 O ATOM 455 CB ARG B 10 3.801 -0.315 -9.675 1.00 0.00 C ATOM 456 CG ARG B 10 5.136 0.254 -9.192 1.00 0.00 C ATOM 457 CD ARG B 10 5.256 1.719 -9.629 1.00 0.00 C ATOM 458 NE ARG B 10 4.235 2.541 -8.981 1.00 0.00 N ATOM 459 CZ ARG B 10 4.432 3.069 -7.776 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.497 3.788 -7.221 1.00 0.00 N ATOM 461 NH2 ARG B 10 5.561 2.879 -7.153 1.00 0.00 N ATOM 0 H ARG B 10 1.866 -1.701 -10.307 1.00 0.00 H new ATOM 0 HA ARG B 10 4.612 -2.278 -9.931 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.671 -0.112 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.977 0.172 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.203 0.181 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.961 -0.328 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.247 2.098 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG B 10 5.152 1.790 -10.712 1.00 0.00 H new ATOM 0 HE ARG B 10 3.353 2.713 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.616 3.945 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG B 10 3.646 4.194 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.297 2.324 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG B 10 5.708 3.285 -6.229 1.00 0.00 H new ATOM 475 N CYS B 11 2.747 -2.006 -7.233 1.00 0.00 N ATOM 476 CA CYS B 11 2.710 -2.268 -5.801 1.00 0.00 C ATOM 477 C CYS B 11 3.272 -3.650 -5.489 1.00 0.00 C ATOM 478 O CYS B 11 4.061 -3.813 -4.558 1.00 0.00 O ATOM 479 CB CYS B 11 1.266 -2.197 -5.303 1.00 0.00 C ATOM 480 SG CYS B 11 1.263 -2.080 -3.494 1.00 0.00 S ATOM 0 H CYS B 11 1.851 -1.732 -7.637 1.00 0.00 H new ATOM 0 HA CYS B 11 3.319 -1.515 -5.300 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.762 -1.333 -5.736 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.715 -3.081 -5.623 1.00 0.00 H new ATOM 485 N LYS B 12 2.853 -4.644 -6.261 1.00 0.00 N ATOM 486 CA LYS B 12 3.320 -6.003 -6.036 1.00 0.00 C ATOM 487 C LYS B 12 4.830 -6.072 -6.229 1.00 0.00 C ATOM 488 O LYS B 12 5.542 -6.706 -5.452 1.00 0.00 O ATOM 489 CB LYS B 12 2.622 -6.966 -7.004 1.00 0.00 C ATOM 490 CG LYS B 12 3.040 -8.429 -6.744 1.00 0.00 C ATOM 491 CD LYS B 12 2.494 -8.915 -5.393 1.00 0.00 C ATOM 492 CE LYS B 12 2.724 -10.417 -5.248 1.00 0.00 C ATOM 493 NZ LYS B 12 2.182 -10.859 -3.934 1.00 0.00 N ATOM 0 H LYS B 12 2.200 -4.537 -7.037 1.00 0.00 H new ATOM 0 HA LYS B 12 3.080 -6.295 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.541 -6.871 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.867 -6.693 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS B 12 2.666 -9.067 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS B 12 4.127 -8.510 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.987 -8.383 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.429 -8.693 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.233 -10.954 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.788 -10.644 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.333 -11.882 -3.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.670 -10.352 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.164 -10.652 -3.891 1.00 0.00 H new ATOM 507 N LYS B 13 5.309 -5.410 -7.275 1.00 0.00 N ATOM 508 CA LYS B 13 6.736 -5.396 -7.572 1.00 0.00 C ATOM 509 C LYS B 13 7.509 -4.754 -6.427 1.00 0.00 C ATOM 510 O LYS B 13 8.595 -5.208 -6.066 1.00 0.00 O ATOM 511 CB LYS B 13 6.993 -4.625 -8.873 1.00 0.00 C ATOM 512 CG LYS B 13 6.437 -5.393 -10.088 1.00 0.00 C ATOM 513 CD LYS B 13 7.267 -6.660 -10.360 1.00 0.00 C ATOM 514 CE LYS B 13 6.971 -7.174 -11.775 1.00 0.00 C ATOM 515 NZ LYS B 13 5.555 -7.631 -11.854 1.00 0.00 N ATOM 0 H LYS B 13 4.734 -4.878 -7.929 1.00 0.00 H new ATOM 0 HA LYS B 13 7.078 -6.424 -7.693 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.527 -3.641 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.064 -4.463 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.397 -5.666 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS B 13 6.449 -4.749 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.330 -6.440 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.028 -7.429 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.150 -6.384 -12.505 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.643 -7.995 -12.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.397 -8.117 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.357 -8.286 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.921 -6.809 -11.787 1.00 0.00 H new ATOM 529 N LEU B 14 6.943 -3.703 -5.854 1.00 0.00 N ATOM 530 CA LEU B 14 7.590 -3.016 -4.745 1.00 0.00 C ATOM 531 C LEU B 14 7.753 -3.957 -3.552 1.00 0.00 C ATOM 532 O LEU B 14 8.795 -3.968 -2.900 1.00 0.00 O ATOM 533 CB LEU B 14 6.731 -1.815 -4.333 1.00 0.00 C ATOM 534 CG LEU B 14 6.794 -0.705 -5.405 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.681 0.338 -5.150 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.164 -0.003 -5.355 1.00 0.00 C ATOM 0 H LEU B 14 6.045 -3.309 -6.135 1.00 0.00 H new ATOM 0 HA LEU B 14 8.578 -2.681 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.698 -2.132 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.079 -1.424 -3.377 1.00 0.00 H new ATOM 0 HG LEU B 14 6.652 -1.158 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.732 1.118 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.708 -0.150 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.818 0.783 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.200 0.778 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.310 0.441 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.953 -0.731 -5.545 1.00 0.00 H new ATOM 548 N LEU B 15 6.722 -4.745 -3.274 1.00 0.00 N ATOM 549 CA LEU B 15 6.778 -5.681 -2.157 1.00 0.00 C ATOM 550 C LEU B 15 7.852 -6.746 -2.405 1.00 0.00 C ATOM 551 O LEU B 15 8.605 -7.110 -1.502 1.00 0.00 O ATOM 552 CB LEU B 15 5.410 -6.342 -1.980 1.00 0.00 C ATOM 553 CG LEU B 15 4.378 -5.296 -1.525 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.986 -5.927 -1.549 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.696 -4.795 -0.101 1.00 0.00 C ATOM 0 H LEU B 15 5.847 -4.756 -3.799 1.00 0.00 H new ATOM 0 HA LEU B 15 7.038 -5.138 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.091 -6.796 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.476 -7.144 -1.245 1.00 0.00 H new ATOM 0 HG LEU B 15 4.415 -4.444 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.248 -5.192 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.753 -6.256 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.963 -6.783 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.953 -4.056 0.199 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.674 -5.635 0.594 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.686 -4.339 -0.088 1.00 0.00 H new ATOM 567 N ASP B 16 7.924 -7.228 -3.642 1.00 0.00 N ATOM 568 CA ASP B 16 8.913 -8.240 -4.017 1.00 0.00 C ATOM 569 C ASP B 16 10.329 -7.689 -3.869 1.00 0.00 C ATOM 570 O ASP B 16 11.252 -8.401 -3.472 1.00 0.00 O ATOM 571 CB ASP B 16 8.677 -8.696 -5.459 1.00 0.00 C ATOM 572 CG ASP B 16 7.414 -9.549 -5.531 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.949 -9.790 -6.632 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.930 -9.947 -4.484 1.00 0.00 O ATOM 0 H ASP B 16 7.311 -6.936 -4.403 1.00 0.00 H new ATOM 0 HA ASP B 16 8.802 -9.095 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.579 -7.829 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.534 -9.268 -5.814 1.00 0.00 H new ATOM 579 N ASP B 17 10.487 -6.414 -4.196 1.00 0.00 N ATOM 580 CA ASP B 17 11.784 -5.753 -4.110 1.00 0.00 C ATOM 581 C ASP B 17 12.257 -5.680 -2.662 1.00 0.00 C ATOM 582 O ASP B 17 13.391 -5.291 -2.391 1.00 0.00 O ATOM 583 CB ASP B 17 11.699 -4.340 -4.691 1.00 0.00 C ATOM 584 CG ASP B 17 11.548 -4.408 -6.206 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.220 -3.392 -6.795 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.759 -5.477 -6.756 1.00 0.00 O ATOM 0 H ASP B 17 9.731 -5.814 -4.525 1.00 0.00 H new ATOM 0 HA ASP B 17 12.501 -6.338 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.852 -3.809 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.595 -3.777 -4.431 1.00 0.00 H new ATOM 591 N SER B 18 11.374 -6.030 -1.733 1.00 0.00 N ATOM 592 CA SER B 18 11.714 -5.972 -0.319 1.00 0.00 C ATOM 593 C SER B 18 12.914 -6.854 -0.018 1.00 0.00 C ATOM 594 O SER B 18 13.620 -6.649 0.969 1.00 0.00 O ATOM 595 CB SER B 18 10.528 -6.447 0.519 1.00 0.00 C ATOM 596 OG SER B 18 10.312 -7.831 0.276 1.00 0.00 O ATOM 0 H SER B 18 10.427 -6.353 -1.932 1.00 0.00 H new ATOM 0 HA SER B 18 11.958 -4.939 -0.070 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.723 -6.277 1.578 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.635 -5.876 0.264 1.00 0.00 H new ATOM 0 HG SER B 18 9.542 -7.942 -0.320 1.00 0.00 H new ATOM 602 N SER B 19 13.140 -7.831 -0.878 1.00 0.00 N ATOM 603 CA SER B 19 14.267 -8.748 -0.706 1.00 0.00 C ATOM 604 C SER B 19 15.540 -8.149 -1.288 1.00 0.00 C ATOM 605 O SER B 19 16.643 -8.629 -1.034 1.00 0.00 O ATOM 606 CB SER B 19 13.971 -10.085 -1.384 1.00 0.00 C ATOM 607 OG SER B 19 12.860 -10.700 -0.744 1.00 0.00 O ATOM 0 H SER B 19 12.565 -8.014 -1.700 1.00 0.00 H new ATOM 0 HA SER B 19 14.412 -8.912 0.362 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.756 -9.930 -2.441 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.844 -10.736 -1.328 1.00 0.00 H new ATOM 0 HG SER B 19 12.666 -11.557 -1.177 1.00 0.00 H new ATOM 613 N SER B 20 15.371 -7.091 -2.064 1.00 0.00 N ATOM 614 CA SER B 20 16.502 -6.409 -2.686 1.00 0.00 C ATOM 615 C SER B 20 17.180 -5.470 -1.692 1.00 0.00 C ATOM 616 O SER B 20 16.537 -4.941 -0.785 1.00 0.00 O ATOM 617 CB SER B 20 16.037 -5.612 -3.906 1.00 0.00 C ATOM 618 OG SER B 20 17.170 -5.050 -4.558 1.00 0.00 O ATOM 0 H SER B 20 14.462 -6.683 -2.281 1.00 0.00 H new ATOM 0 HA SER B 20 17.220 -7.166 -3.002 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.492 -6.260 -4.592 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.350 -4.823 -3.600 1.00 0.00 H new ATOM 0 HG SER B 20 16.877 -4.540 -5.342 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 18.480 -5.265 -1.874 1.00 0.00 N ATOM 626 CA LYS C 1 19.240 -4.383 -0.993 1.00 0.00 C ATOM 627 C LYS C 1 19.033 -2.927 -1.393 1.00 0.00 C ATOM 628 O LYS C 1 19.739 -2.035 -0.924 1.00 0.00 O ATOM 629 CB LYS C 1 20.727 -4.724 -1.067 1.00 0.00 C ATOM 630 CG LYS C 1 20.945 -6.150 -0.564 1.00 0.00 C ATOM 631 CD LYS C 1 22.433 -6.499 -0.639 1.00 0.00 C ATOM 632 CE LYS C 1 22.638 -7.961 -0.234 1.00 0.00 C ATOM 633 NZ LYS C 1 22.204 -8.159 1.178 1.00 0.00 N ATOM 0 H3 LYS C 1 18.333 -6.182 -1.405 1.00 0.00 H new ATOM 0 HA LYS C 1 18.886 -4.526 0.028 1.00 0.00 H new ATOM 0 HB2 LYS C 1 21.083 -4.630 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.303 -4.022 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.591 -6.242 0.463 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.366 -6.851 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.805 -6.336 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS C 1 23.004 -5.845 0.020 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.068 -8.614 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS C 1 23.687 -8.235 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 22.586 -9.058 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 22.558 -7.375 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 21.165 -8.182 1.222 1.00 0.00 H new ATOM 647 N ASN C 2 18.073 -2.702 -2.277 1.00 0.00 N ATOM 648 CA ASN C 2 17.785 -1.355 -2.760 1.00 0.00 C ATOM 649 C ASN C 2 17.284 -0.452 -1.624 1.00 0.00 C ATOM 650 O ASN C 2 16.659 -0.931 -0.677 1.00 0.00 O ATOM 651 CB ASN C 2 16.734 -1.443 -3.876 1.00 0.00 C ATOM 652 CG ASN C 2 15.457 -2.099 -3.360 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.472 -2.778 -2.334 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.346 -1.944 -4.029 1.00 0.00 N ATOM 0 H ASN C 2 17.480 -3.430 -2.675 1.00 0.00 H new ATOM 0 HA ASN C 2 18.703 -0.913 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.510 -0.445 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.132 -2.017 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.487 -2.386 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.337 -1.380 -4.879 1.00 0.00 H new ATOM 661 N PRO C 3 17.538 0.843 -1.693 1.00 0.00 N ATOM 662 CA PRO C 3 17.087 1.807 -0.638 1.00 0.00 C ATOM 663 C PRO C 3 15.561 1.896 -0.555 1.00 0.00 C ATOM 664 O PRO C 3 15.012 2.349 0.449 1.00 0.00 O ATOM 665 CB PRO C 3 17.711 3.149 -1.072 1.00 0.00 C ATOM 666 CG PRO C 3 17.939 3.007 -2.539 1.00 0.00 C ATOM 667 CD PRO C 3 18.286 1.538 -2.764 1.00 0.00 C ATOM 0 HA PRO C 3 17.399 1.501 0.361 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.045 3.984 -0.854 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.645 3.340 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.050 3.290 -3.102 1.00 0.00 H new ATOM 0 HG3 PRO C 3 18.748 3.656 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.979 1.199 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.359 1.361 -2.685 1.00 0.00 H new ATOM 675 N GLU C 4 14.887 1.462 -1.614 1.00 0.00 N ATOM 676 CA GLU C 4 13.427 1.496 -1.648 1.00 0.00 C ATOM 677 C GLU C 4 12.843 0.584 -0.573 1.00 0.00 C ATOM 678 O GLU C 4 11.660 0.671 -0.252 1.00 0.00 O ATOM 679 CB GLU C 4 12.916 1.068 -3.022 1.00 0.00 C ATOM 680 CG GLU C 4 13.296 2.130 -4.053 1.00 0.00 C ATOM 681 CD GLU C 4 12.839 1.694 -5.440 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.002 2.470 -6.366 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.333 0.590 -5.556 1.00 0.00 O ATOM 0 H GLU C 4 15.323 1.085 -2.455 1.00 0.00 H new ATOM 0 HA GLU C 4 13.107 2.519 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.345 0.105 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.834 0.939 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.836 3.083 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.375 2.284 -4.048 1.00 0.00 H new ATOM 690 N ALA C 5 13.683 -0.288 -0.025 1.00 0.00 N ATOM 691 CA ALA C 5 13.252 -1.221 1.013 1.00 0.00 C ATOM 692 C ALA C 5 12.688 -0.462 2.213 1.00 0.00 C ATOM 693 O ALA C 5 11.855 -0.983 2.955 1.00 0.00 O ATOM 694 CB ALA C 5 14.434 -2.085 1.455 1.00 0.00 C ATOM 0 H ALA C 5 14.667 -0.369 -0.282 1.00 0.00 H new ATOM 0 HA ALA C 5 12.469 -1.860 0.605 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.108 -2.779 2.229 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.814 -2.646 0.601 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.224 -1.446 1.850 1.00 0.00 H new ATOM 700 N GLU C 6 13.146 0.771 2.401 1.00 0.00 N ATOM 701 CA GLU C 6 12.676 1.588 3.515 1.00 0.00 C ATOM 702 C GLU C 6 11.167 1.820 3.398 1.00 0.00 C ATOM 703 O GLU C 6 10.449 1.806 4.398 1.00 0.00 O ATOM 704 CB GLU C 6 13.408 2.934 3.514 1.00 0.00 C ATOM 705 CG GLU C 6 14.890 2.716 3.831 1.00 0.00 C ATOM 706 CD GLU C 6 15.054 2.219 5.264 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.082 1.627 5.551 1.00 0.00 O ATOM 708 OE2 GLU C 6 14.151 2.442 6.055 1.00 0.00 O ATOM 0 H GLU C 6 13.836 1.224 1.802 1.00 0.00 H new ATOM 0 HA GLU C 6 12.882 1.066 4.449 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.301 3.416 2.542 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.963 3.602 4.252 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.315 1.992 3.136 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.439 3.648 3.696 1.00 0.00 H new ATOM 715 N GLU C 7 10.692 2.017 2.171 1.00 0.00 N ATOM 716 CA GLU C 7 9.264 2.232 1.934 1.00 0.00 C ATOM 717 C GLU C 7 8.457 1.006 2.352 1.00 0.00 C ATOM 718 O GLU C 7 7.365 1.132 2.900 1.00 0.00 O ATOM 719 CB GLU C 7 9.018 2.546 0.452 1.00 0.00 C ATOM 720 CG GLU C 7 9.483 3.973 0.146 1.00 0.00 C ATOM 721 CD GLU C 7 8.555 4.969 0.839 1.00 0.00 C ATOM 722 OE1 GLU C 7 9.029 5.719 1.678 1.00 0.00 O ATOM 723 OE2 GLU C 7 7.380 4.972 0.511 1.00 0.00 O ATOM 0 H GLU C 7 11.269 2.033 1.330 1.00 0.00 H new ATOM 0 HA GLU C 7 8.938 3.080 2.536 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.556 1.835 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU C 7 7.959 2.440 0.218 1.00 0.00 H new ATOM 0 HG2 GLU C 7 10.508 4.115 0.489 1.00 0.00 H new ATOM 0 HG3 GLU C 7 9.481 4.145 -0.930 1.00 0.00 H new ATOM 730 N ILE C 8 9.002 -0.177 2.099 1.00 0.00 N ATOM 731 CA ILE C 8 8.319 -1.413 2.467 1.00 0.00 C ATOM 732 C ILE C 8 8.140 -1.469 3.985 1.00 0.00 C ATOM 733 O ILE C 8 7.064 -1.810 4.478 1.00 0.00 O ATOM 734 CB ILE C 8 9.140 -2.620 1.977 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.933 -2.804 0.468 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.699 -3.897 2.707 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.271 -1.510 -0.274 1.00 0.00 C ATOM 0 H ILE C 8 9.906 -0.308 1.645 1.00 0.00 H new ATOM 0 HA ILE C 8 7.336 -1.442 1.998 1.00 0.00 H new ATOM 0 HB ILE C 8 10.194 -2.435 2.187 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.563 -3.616 0.104 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.900 -3.087 0.267 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.288 -4.742 2.350 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.852 -3.775 3.779 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.643 -4.082 2.510 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.120 -1.654 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.623 -0.708 0.079 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.311 -1.244 -0.087 1.00 0.00 H new ATOM 749 N THR C 9 9.194 -1.128 4.719 1.00 0.00 N ATOM 750 CA THR C 9 9.124 -1.142 6.175 1.00 0.00 C ATOM 751 C THR C 9 8.070 -0.147 6.651 1.00 0.00 C ATOM 752 O THR C 9 7.272 -0.447 7.540 1.00 0.00 O ATOM 753 CB THR C 9 10.486 -0.778 6.767 1.00 0.00 C ATOM 754 OG1 THR C 9 11.444 -1.743 6.364 1.00 0.00 O ATOM 755 CG2 THR C 9 10.397 -0.756 8.294 1.00 0.00 C ATOM 0 H THR C 9 10.095 -0.842 4.336 1.00 0.00 H new ATOM 0 HA THR C 9 8.848 -2.143 6.508 1.00 0.00 H new ATOM 0 HB THR C 9 10.784 0.208 6.411 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.319 -1.512 6.740 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.370 -0.496 8.711 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.659 -0.016 8.605 1.00 0.00 H new ATOM 0 HG23 THR C 9 10.098 -1.740 8.655 1.00 0.00 H new ATOM 763 N ARG C 10 8.065 1.032 6.041 1.00 0.00 N ATOM 764 CA ARG C 10 7.096 2.061 6.396 1.00 0.00 C ATOM 765 C ARG C 10 5.685 1.571 6.082 1.00 0.00 C ATOM 766 O ARG C 10 4.750 1.791 6.852 1.00 0.00 O ATOM 767 CB ARG C 10 7.402 3.355 5.639 1.00 0.00 C ATOM 768 CG ARG C 10 6.431 4.451 6.081 1.00 0.00 C ATOM 769 CD ARG C 10 6.862 5.792 5.475 1.00 0.00 C ATOM 770 NE ARG C 10 6.763 5.760 4.016 1.00 0.00 N ATOM 771 CZ ARG C 10 5.623 6.045 3.393 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.564 6.000 2.092 1.00 0.00 N ATOM 773 NH2 ARG C 10 4.567 6.381 4.081 1.00 0.00 N ATOM 0 H ARG C 10 8.717 1.298 5.303 1.00 0.00 H new ATOM 0 HA ARG C 10 7.163 2.266 7.464 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.429 3.666 5.831 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.315 3.189 4.565 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.418 4.205 5.762 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.415 4.520 7.169 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.235 6.592 5.869 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.887 6.016 5.769 1.00 0.00 H new ATOM 0 HE ARG C 10 7.585 5.514 3.465 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.392 5.746 1.552 1.00 0.00 H new ATOM 0 HH12 ARG C 10 4.690 6.218 1.613 1.00 0.00 H new ATOM 0 HH21 ARG C 10 4.614 6.426 5.099 1.00 0.00 H new ATOM 0 HH22 ARG C 10 3.694 6.599 3.601 1.00 0.00 H new ATOM 787 N CYS C 11 5.545 0.902 4.944 1.00 0.00 N ATOM 788 CA CYS C 11 4.252 0.374 4.525 1.00 0.00 C ATOM 789 C CYS C 11 3.647 -0.498 5.619 1.00 0.00 C ATOM 790 O CYS C 11 2.460 -0.387 5.928 1.00 0.00 O ATOM 791 CB CYS C 11 4.426 -0.465 3.259 1.00 0.00 C ATOM 792 SG CYS C 11 2.807 -0.733 2.488 1.00 0.00 S ATOM 0 H CYS C 11 6.309 0.712 4.296 1.00 0.00 H new ATOM 0 HA CYS C 11 3.584 1.213 4.329 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.094 0.042 2.562 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.887 -1.422 3.504 1.00 0.00 H new ATOM 797 N LYS C 12 4.462 -1.374 6.192 1.00 0.00 N ATOM 798 CA LYS C 12 3.977 -2.262 7.238 1.00 0.00 C ATOM 799 C LYS C 12 3.501 -1.446 8.433 1.00 0.00 C ATOM 800 O LYS C 12 2.458 -1.728 9.019 1.00 0.00 O ATOM 801 CB LYS C 12 5.092 -3.226 7.669 1.00 0.00 C ATOM 802 CG LYS C 12 4.591 -4.233 8.725 1.00 0.00 C ATOM 803 CD LYS C 12 3.579 -5.208 8.105 1.00 0.00 C ATOM 804 CE LYS C 12 3.260 -6.328 9.095 1.00 0.00 C ATOM 805 NZ LYS C 12 2.285 -7.260 8.465 1.00 0.00 N ATOM 0 H LYS C 12 5.447 -1.488 5.954 1.00 0.00 H new ATOM 0 HA LYS C 12 3.140 -2.843 6.850 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.465 -3.765 6.798 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.929 -2.658 8.075 1.00 0.00 H new ATOM 0 HG2 LYS C 12 5.435 -4.788 9.135 1.00 0.00 H new ATOM 0 HG3 LYS C 12 4.128 -3.698 9.554 1.00 0.00 H new ATOM 0 HD2 LYS C 12 2.666 -4.676 7.838 1.00 0.00 H new ATOM 0 HD3 LYS C 12 3.984 -5.629 7.185 1.00 0.00 H new ATOM 0 HE2 LYS C 12 4.170 -6.862 9.368 1.00 0.00 H new ATOM 0 HE3 LYS C 12 2.846 -5.913 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 2.059 -8.028 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 1.415 -6.743 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 2.698 -7.662 7.599 1.00 0.00 H new ATOM 819 N LYS C 13 4.280 -0.431 8.785 1.00 0.00 N ATOM 820 CA LYS C 13 3.939 0.427 9.913 1.00 0.00 C ATOM 821 C LYS C 13 2.614 1.137 9.658 1.00 0.00 C ATOM 822 O LYS C 13 1.797 1.290 10.564 1.00 0.00 O ATOM 823 CB LYS C 13 5.049 1.460 10.139 1.00 0.00 C ATOM 824 CG LYS C 13 6.336 0.785 10.649 1.00 0.00 C ATOM 825 CD LYS C 13 6.150 0.270 12.087 1.00 0.00 C ATOM 826 CE LYS C 13 7.521 -0.017 12.710 1.00 0.00 C ATOM 827 NZ LYS C 13 8.171 -1.144 11.984 1.00 0.00 N ATOM 0 H LYS C 13 5.147 -0.182 8.309 1.00 0.00 H new ATOM 0 HA LYS C 13 3.839 -0.192 10.805 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.255 1.987 9.207 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.715 2.206 10.860 1.00 0.00 H new ATOM 0 HG2 LYS C 13 6.602 -0.044 9.993 1.00 0.00 H new ATOM 0 HG3 LYS C 13 7.162 1.495 10.616 1.00 0.00 H new ATOM 0 HD2 LYS C 13 5.616 1.010 12.683 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.543 -0.636 12.084 1.00 0.00 H new ATOM 0 HE2 LYS C 13 8.149 0.873 12.659 1.00 0.00 H new ATOM 0 HE3 LYS C 13 7.408 -0.267 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 9.017 -1.451 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 7.504 -1.939 11.908 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 8.446 -0.831 11.031 1.00 0.00 H new ATOM 841 N LEU C 14 2.402 1.558 8.420 1.00 0.00 N ATOM 842 CA LEU C 14 1.168 2.241 8.061 1.00 0.00 C ATOM 843 C LEU C 14 -0.035 1.324 8.273 1.00 0.00 C ATOM 844 O LEU C 14 -1.071 1.753 8.781 1.00 0.00 O ATOM 845 CB LEU C 14 1.238 2.655 6.587 1.00 0.00 C ATOM 846 CG LEU C 14 2.247 3.805 6.391 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.556 3.983 4.887 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.665 5.119 6.949 1.00 0.00 C ATOM 0 H LEU C 14 3.063 1.440 7.652 1.00 0.00 H new ATOM 0 HA LEU C 14 1.051 3.120 8.695 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.531 1.800 5.978 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.252 2.968 6.245 1.00 0.00 H new ATOM 0 HG LEU C 14 3.165 3.560 6.925 1.00 0.00 H new ATOM 0 HD11 LEU C 14 3.269 4.797 4.756 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.981 3.061 4.491 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.636 4.217 4.352 1.00 0.00 H new ATOM 0 HD21 LEU C 14 2.385 5.925 6.806 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.741 5.360 6.423 1.00 0.00 H new ATOM 0 HD23 LEU C 14 1.457 5.002 8.013 1.00 0.00 H new ATOM 860 N LEU C 15 0.105 0.062 7.888 1.00 0.00 N ATOM 861 CA LEU C 15 -0.983 -0.896 8.048 1.00 0.00 C ATOM 862 C LEU C 15 -1.285 -1.118 9.535 1.00 0.00 C ATOM 863 O LEU C 15 -2.444 -1.183 9.943 1.00 0.00 O ATOM 864 CB LEU C 15 -0.596 -2.219 7.385 1.00 0.00 C ATOM 865 CG LEU C 15 -0.502 -2.032 5.862 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.084 -3.301 5.240 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.893 -1.754 5.255 1.00 0.00 C ATOM 0 H LEU C 15 0.952 -0.320 7.467 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.880 -0.501 7.571 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.360 -2.567 7.777 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.335 -2.984 7.621 1.00 0.00 H new ATOM 0 HG LEU C 15 0.141 -1.177 5.651 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.154 -3.177 4.159 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.078 -3.482 5.650 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.562 -4.149 5.467 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.800 -1.625 4.177 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.556 -2.594 5.465 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.307 -0.846 5.694 1.00 0.00 H new ATOM 879 N ASP C 16 -0.231 -1.215 10.339 1.00 0.00 N ATOM 880 CA ASP C 16 -0.380 -1.414 11.782 1.00 0.00 C ATOM 881 C ASP C 16 -1.083 -0.217 12.419 1.00 0.00 C ATOM 882 O ASP C 16 -1.880 -0.365 13.345 1.00 0.00 O ATOM 883 CB ASP C 16 0.991 -1.621 12.429 1.00 0.00 C ATOM 884 CG ASP C 16 1.538 -2.994 12.050 1.00 0.00 C ATOM 885 OD1 ASP C 16 2.714 -3.224 12.277 1.00 0.00 O ATOM 886 OD2 ASP C 16 0.774 -3.795 11.537 1.00 0.00 O ATOM 0 H ASP C 16 0.736 -1.159 10.019 1.00 0.00 H new ATOM 0 HA ASP C 16 -0.989 -2.303 11.947 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.679 -0.842 12.102 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.908 -1.539 13.513 1.00 0.00 H new ATOM 891 N ASP C 17 -0.773 0.968 11.913 1.00 0.00 N ATOM 892 CA ASP C 17 -1.361 2.201 12.424 1.00 0.00 C ATOM 893 C ASP C 17 -2.865 2.219 12.173 1.00 0.00 C ATOM 894 O ASP C 17 -3.573 3.097 12.664 1.00 0.00 O ATOM 895 CB ASP C 17 -0.715 3.415 11.755 1.00 0.00 C ATOM 896 CG ASP C 17 0.713 3.590 12.260 1.00 0.00 C ATOM 897 OD1 ASP C 17 1.445 4.352 11.650 1.00 0.00 O ATOM 898 OD2 ASP C 17 1.053 2.961 13.248 1.00 0.00 O ATOM 0 H ASP C 17 -0.115 1.103 11.146 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.180 2.246 13.498 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -0.714 3.286 10.673 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.297 4.311 11.969 1.00 0.00 H new ATOM 903 N SER C 18 -3.346 1.260 11.389 1.00 0.00 N ATOM 904 CA SER C 18 -4.765 1.198 11.067 1.00 0.00 C ATOM 905 C SER C 18 -5.599 1.075 12.331 1.00 0.00 C ATOM 906 O SER C 18 -6.781 1.419 12.346 1.00 0.00 O ATOM 907 CB SER C 18 -5.041 -0.009 10.168 1.00 0.00 C ATOM 908 OG SER C 18 -4.794 -1.200 10.903 1.00 0.00 O ATOM 0 H SER C 18 -2.780 0.523 10.969 1.00 0.00 H new ATOM 0 HA SER C 18 -5.037 2.118 10.549 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.073 0.010 9.818 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.404 0.027 9.284 1.00 0.00 H new ATOM 0 HG SER C 18 -3.989 -1.638 10.556 1.00 0.00 H new ATOM 914 N SER C 19 -4.976 0.588 13.389 1.00 0.00 N ATOM 915 CA SER C 19 -5.665 0.427 14.670 1.00 0.00 C ATOM 916 C SER C 19 -5.657 1.731 15.456 1.00 0.00 C ATOM 917 O SER C 19 -6.387 1.887 16.434 1.00 0.00 O ATOM 918 CB SER C 19 -4.998 -0.673 15.496 1.00 0.00 C ATOM 919 OG SER C 19 -5.136 -1.915 14.820 1.00 0.00 O ATOM 0 H SER C 19 -3.999 0.296 13.394 1.00 0.00 H new ATOM 0 HA SER C 19 -6.698 0.147 14.465 1.00 0.00 H new ATOM 0 HB2 SER C 19 -3.943 -0.442 15.646 1.00 0.00 H new ATOM 0 HB3 SER C 19 -5.455 -0.730 16.484 1.00 0.00 H new ATOM 0 HG SER C 19 -4.708 -2.623 15.346 1.00 0.00 H new ATOM 925 N SER C 20 -4.830 2.661 15.012 1.00 0.00 N ATOM 926 CA SER C 20 -4.723 3.964 15.666 1.00 0.00 C ATOM 927 C SER C 20 -5.865 4.880 15.232 1.00 0.00 C ATOM 928 O SER C 20 -6.326 4.816 14.091 1.00 0.00 O ATOM 929 CB SER C 20 -3.380 4.614 15.328 1.00 0.00 C ATOM 930 OG SER C 20 -3.238 5.815 16.077 1.00 0.00 O ATOM 0 H SER C 20 -4.221 2.543 14.202 1.00 0.00 H new ATOM 0 HA SER C 20 -4.787 3.813 16.744 1.00 0.00 H new ATOM 0 HB2 SER C 20 -2.563 3.930 15.558 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.325 4.829 14.261 1.00 0.00 H new ATOM 0 HG SER C 20 -2.378 6.233 15.864 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.554 -0.007 -1.888 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.626 0.453 -1.267 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.602 0.846 0.087 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.600 0.779 0.822 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.781 0.320 0.199 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.757 -0.075 -1.155 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.531 -0.431 -3.338 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.868 1.341 0.748 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.070 0.246 0.989 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.668 -0.433 -1.635 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.617 1.081 1.869 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.556 0.505 -1.833 1.00 0.00 H new