USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot -37:sc= -1.66! USER MOD Set 1.2: C 2 ASN : amide:sc= -5.47! C(o=-7.1!,f=-11!) USER MOD Set 2.1: A 20 SER OG : rot -41:sc= -2.38! USER MOD Set 2.2: B 2 ASN : amide:sc= -5.92! C(o=-8.3!,f=-13!) USER MOD Set 3.1: A 2 ASN : amide:sc= -5.78! C(o=-8.1!,f=-13!) USER MOD Set 3.2: C 20 SER OG : rot -54:sc= -2.32! USER MOD Single : A 1 LYS N :NH3+ -156:sc= -0.0717 (180deg=-0.601) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -111:sc= 1.06 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -157:sc= -0.0953 (180deg=-0.613) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot -106:sc= 1.09 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -157:sc= -0.0517 (180deg=-0.57) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot -107:sc= 1.08 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.615 4.993 15.900 1.00 0.00 N ATOM 2 CA LYS A 1 -8.736 5.853 15.546 1.00 0.00 C ATOM 3 C LYS A 1 -8.241 7.133 14.888 1.00 0.00 C ATOM 4 O LYS A 1 -8.999 8.087 14.705 1.00 0.00 O ATOM 5 CB LYS A 1 -9.544 6.201 16.793 1.00 0.00 C ATOM 6 CG LYS A 1 -10.228 4.939 17.327 1.00 0.00 C ATOM 7 CD LYS A 1 -10.943 5.249 18.648 1.00 0.00 C ATOM 8 CE LYS A 1 -12.213 6.065 18.379 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.016 6.158 19.624 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.939 4.007 15.959 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.371 5.316 14.841 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.891 6.624 17.556 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.290 6.959 16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.944 4.566 16.595 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.489 4.152 17.480 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.199 4.321 19.159 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.278 5.804 19.309 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.949 7.063 18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.800 5.595 17.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.877 6.712 19.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.279 5.203 19.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.455 6.625 20.365 1.00 0.00 H new ATOM 23 N ASN A 2 -6.957 7.154 14.553 1.00 0.00 N ATOM 24 CA ASN A 2 -6.364 8.330 13.942 1.00 0.00 C ATOM 25 C ASN A 2 -7.045 8.643 12.606 1.00 0.00 C ATOM 26 O ASN A 2 -7.528 7.742 11.919 1.00 0.00 O ATOM 27 CB ASN A 2 -4.863 8.095 13.711 1.00 0.00 C ATOM 28 CG ASN A 2 -4.660 6.965 12.715 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.582 6.194 12.455 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.500 6.820 12.133 1.00 0.00 N ATOM 0 H ASN A 2 -6.313 6.375 14.694 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.502 9.177 14.614 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.397 9.007 13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.375 7.851 14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.357 6.066 11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.737 7.461 12.350 1.00 0.00 H new ATOM 37 N PRO A 3 -7.094 9.897 12.229 1.00 0.00 N ATOM 38 CA PRO A 3 -7.737 10.332 10.950 1.00 0.00 C ATOM 39 C PRO A 3 -7.034 9.758 9.721 1.00 0.00 C ATOM 40 O PRO A 3 -7.634 9.621 8.656 1.00 0.00 O ATOM 41 CB PRO A 3 -7.633 11.869 10.995 1.00 0.00 C ATOM 42 CG PRO A 3 -6.517 12.157 11.948 1.00 0.00 C ATOM 43 CD PRO A 3 -6.548 11.044 12.976 1.00 0.00 C ATOM 0 HA PRO A 3 -8.764 9.977 10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.423 12.279 10.007 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.567 12.317 11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.558 12.183 11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.650 13.130 12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.553 10.831 13.366 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.176 11.303 13.828 1.00 0.00 H new ATOM 51 N GLU A 4 -5.765 9.421 9.881 1.00 0.00 N ATOM 52 CA GLU A 4 -4.984 8.858 8.789 1.00 0.00 C ATOM 53 C GLU A 4 -5.548 7.512 8.365 1.00 0.00 C ATOM 54 O GLU A 4 -5.188 6.984 7.315 1.00 0.00 O ATOM 55 CB GLU A 4 -3.521 8.710 9.205 1.00 0.00 C ATOM 56 CG GLU A 4 -2.861 10.096 9.320 1.00 0.00 C ATOM 57 CD GLU A 4 -3.197 10.733 10.661 1.00 0.00 C ATOM 58 OE1 GLU A 4 -2.672 11.797 10.939 1.00 0.00 O ATOM 59 OE2 GLU A 4 -3.984 10.156 11.383 1.00 0.00 O ATOM 0 H GLU A 4 -5.252 9.527 10.756 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.041 9.539 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.457 8.188 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.986 8.104 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.780 10.001 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.204 10.738 8.509 1.00 0.00 H new ATOM 66 N ALA A 5 -6.432 6.965 9.189 1.00 0.00 N ATOM 67 CA ALA A 5 -7.045 5.676 8.896 1.00 0.00 C ATOM 68 C ALA A 5 -7.772 5.730 7.554 1.00 0.00 C ATOM 69 O ALA A 5 -7.949 4.710 6.889 1.00 0.00 O ATOM 70 CB ALA A 5 -8.032 5.300 10.004 1.00 0.00 C ATOM 0 H ALA A 5 -6.740 7.392 10.063 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.261 4.921 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.485 4.335 9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.504 5.237 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.811 6.060 10.071 1.00 0.00 H new ATOM 76 N GLU A 6 -8.185 6.927 7.158 1.00 0.00 N ATOM 77 CA GLU A 6 -8.889 7.100 5.894 1.00 0.00 C ATOM 78 C GLU A 6 -8.002 6.650 4.736 1.00 0.00 C ATOM 79 O GLU A 6 -8.487 6.088 3.753 1.00 0.00 O ATOM 80 CB GLU A 6 -9.269 8.570 5.705 1.00 0.00 C ATOM 81 CG GLU A 6 -10.311 8.972 6.751 1.00 0.00 C ATOM 82 CD GLU A 6 -11.617 8.225 6.497 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.799 7.755 5.385 1.00 0.00 O ATOM 84 OE2 GLU A 6 -12.414 8.135 7.415 1.00 0.00 O ATOM 0 H GLU A 6 -8.046 7.787 7.689 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.794 6.493 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.384 9.199 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.667 8.727 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.941 8.746 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.483 10.048 6.711 1.00 0.00 H new ATOM 91 N GLU A 7 -6.704 6.896 4.856 1.00 0.00 N ATOM 92 CA GLU A 7 -5.765 6.501 3.815 1.00 0.00 C ATOM 93 C GLU A 7 -5.764 4.983 3.645 1.00 0.00 C ATOM 94 O GLU A 7 -5.701 4.471 2.529 1.00 0.00 O ATOM 95 CB GLU A 7 -4.353 6.984 4.167 1.00 0.00 C ATOM 96 CG GLU A 7 -3.375 6.571 3.060 1.00 0.00 C ATOM 97 CD GLU A 7 -3.789 7.209 1.738 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.467 6.647 0.704 1.00 0.00 O ATOM 99 OE2 GLU A 7 -4.425 8.250 1.780 1.00 0.00 O ATOM 0 H GLU A 7 -6.280 7.364 5.657 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.077 6.960 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.348 8.068 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.040 6.558 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.363 6.881 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.361 5.486 2.961 1.00 0.00 H new ATOM 106 N ILE A 8 -5.836 4.268 4.757 1.00 0.00 N ATOM 107 CA ILE A 8 -5.846 2.810 4.717 1.00 0.00 C ATOM 108 C ILE A 8 -7.066 2.327 3.942 1.00 0.00 C ATOM 109 O ILE A 8 -6.976 1.399 3.138 1.00 0.00 O ATOM 110 CB ILE A 8 -5.869 2.247 6.150 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.457 2.304 6.745 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.360 0.792 6.133 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.901 3.724 6.631 1.00 0.00 C ATOM 0 H ILE A 8 -5.888 4.668 5.694 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.945 2.457 4.216 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.546 2.846 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.481 1.996 7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.804 1.605 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.374 0.401 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.366 0.752 5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.689 0.189 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.898 3.757 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.861 4.016 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.548 4.413 7.174 1.00 0.00 H new ATOM 125 N THR A 9 -8.208 2.958 4.189 1.00 0.00 N ATOM 126 CA THR A 9 -9.436 2.576 3.501 1.00 0.00 C ATOM 127 C THR A 9 -9.265 2.758 1.994 1.00 0.00 C ATOM 128 O THR A 9 -9.657 1.900 1.205 1.00 0.00 O ATOM 129 CB THR A 9 -10.598 3.438 3.998 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.799 3.205 5.386 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.868 3.080 3.226 1.00 0.00 C ATOM 0 H THR A 9 -8.310 3.727 4.852 1.00 0.00 H new ATOM 0 HA THR A 9 -9.652 1.528 3.712 1.00 0.00 H new ATOM 0 HB THR A 9 -10.365 4.491 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.542 3.758 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.695 3.695 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.711 3.262 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.105 2.028 3.383 1.00 0.00 H new ATOM 139 N ARG A 10 -8.652 3.870 1.606 1.00 0.00 N ATOM 140 CA ARG A 10 -8.406 4.146 0.194 1.00 0.00 C ATOM 141 C ARG A 10 -7.470 3.092 -0.391 1.00 0.00 C ATOM 142 O ARG A 10 -7.663 2.629 -1.516 1.00 0.00 O ATOM 143 CB ARG A 10 -7.797 5.537 0.025 1.00 0.00 C ATOM 144 CG ARG A 10 -7.622 5.838 -1.464 1.00 0.00 C ATOM 145 CD ARG A 10 -7.140 7.278 -1.642 1.00 0.00 C ATOM 146 NE ARG A 10 -5.791 7.436 -1.106 1.00 0.00 N ATOM 147 CZ ARG A 10 -5.186 8.619 -1.111 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.979 8.735 -0.634 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.798 9.664 -1.598 1.00 0.00 N ATOM 0 H ARG A 10 -8.318 4.592 2.244 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.356 4.111 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.441 6.286 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.834 5.589 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.903 5.146 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.566 5.692 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.151 7.543 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.821 7.961 -1.135 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.305 6.625 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.499 7.918 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.514 9.643 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.741 9.573 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.333 10.572 -1.601 1.00 0.00 H new ATOM 163 N CYS A 11 -6.450 2.724 0.378 1.00 0.00 N ATOM 164 CA CYS A 11 -5.491 1.723 -0.071 1.00 0.00 C ATOM 165 C CYS A 11 -6.217 0.442 -0.466 1.00 0.00 C ATOM 166 O CYS A 11 -5.918 -0.163 -1.496 1.00 0.00 O ATOM 167 CB CYS A 11 -4.490 1.423 1.048 1.00 0.00 C ATOM 168 SG CYS A 11 -3.079 0.509 0.369 1.00 0.00 S ATOM 0 H CYS A 11 -6.268 3.101 1.308 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.957 2.111 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.149 2.352 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.971 0.840 1.834 1.00 0.00 H new ATOM 173 N LYS A 12 -7.179 0.040 0.357 1.00 0.00 N ATOM 174 CA LYS A 12 -7.951 -1.167 0.085 1.00 0.00 C ATOM 175 C LYS A 12 -8.735 -1.011 -1.217 1.00 0.00 C ATOM 176 O LYS A 12 -8.830 -1.944 -2.013 1.00 0.00 O ATOM 177 CB LYS A 12 -8.920 -1.437 1.237 1.00 0.00 C ATOM 178 CG LYS A 12 -8.129 -1.819 2.489 1.00 0.00 C ATOM 179 CD LYS A 12 -9.098 -2.096 3.640 1.00 0.00 C ATOM 180 CE LYS A 12 -8.306 -2.460 4.897 1.00 0.00 C ATOM 181 NZ LYS A 12 -9.250 -2.729 6.018 1.00 0.00 N ATOM 0 H LYS A 12 -7.442 0.529 1.213 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.263 -2.007 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.525 -0.552 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.607 -2.240 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.520 -2.701 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.446 -1.014 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.716 -1.218 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.772 -2.910 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.688 -3.338 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.631 -1.646 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.712 -2.977 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.821 -1.880 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.876 -3.519 5.762 1.00 0.00 H new ATOM 195 N LYS A 13 -9.287 0.181 -1.428 1.00 0.00 N ATOM 196 CA LYS A 13 -10.055 0.454 -2.639 1.00 0.00 C ATOM 197 C LYS A 13 -9.168 0.301 -3.871 1.00 0.00 C ATOM 198 O LYS A 13 -9.587 -0.253 -4.886 1.00 0.00 O ATOM 199 CB LYS A 13 -10.633 1.870 -2.588 1.00 0.00 C ATOM 200 CG LYS A 13 -11.504 2.113 -3.825 1.00 0.00 C ATOM 201 CD LYS A 13 -12.113 3.512 -3.751 1.00 0.00 C ATOM 202 CE LYS A 13 -12.990 3.752 -4.982 1.00 0.00 C ATOM 203 NZ LYS A 13 -13.581 5.116 -4.912 1.00 0.00 N ATOM 0 H LYS A 13 -9.218 0.967 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.874 -0.262 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.225 2.000 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.826 2.602 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.905 2.013 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.293 1.363 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.707 3.614 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.323 4.262 -3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.397 3.647 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.781 3.003 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.177 5.279 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.160 5.200 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.819 5.824 -4.886 1.00 0.00 H new ATOM 217 N LEU A 14 -7.939 0.796 -3.776 1.00 0.00 N ATOM 218 CA LEU A 14 -7.003 0.701 -4.890 1.00 0.00 C ATOM 219 C LEU A 14 -6.692 -0.750 -5.218 1.00 0.00 C ATOM 220 O LEU A 14 -6.626 -1.128 -6.389 1.00 0.00 O ATOM 221 CB LEU A 14 -5.707 1.439 -4.535 1.00 0.00 C ATOM 222 CG LEU A 14 -5.952 2.956 -4.549 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.799 3.668 -3.833 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.021 3.458 -6.007 1.00 0.00 C ATOM 0 H LEU A 14 -7.570 1.263 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.462 1.160 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.358 1.127 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.924 1.181 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.892 3.170 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.973 4.744 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.741 3.320 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.862 3.447 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.195 4.534 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.080 3.239 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.837 2.956 -6.527 1.00 0.00 H new ATOM 236 N LEU A 15 -6.507 -1.555 -4.185 1.00 0.00 N ATOM 237 CA LEU A 15 -6.207 -2.968 -4.374 1.00 0.00 C ATOM 238 C LEU A 15 -7.375 -3.676 -5.049 1.00 0.00 C ATOM 239 O LEU A 15 -7.183 -4.529 -5.912 1.00 0.00 O ATOM 240 CB LEU A 15 -5.915 -3.622 -3.023 1.00 0.00 C ATOM 241 CG LEU A 15 -4.611 -3.050 -2.447 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.424 -3.556 -1.014 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.406 -3.478 -3.309 1.00 0.00 C ATOM 0 H LEU A 15 -6.559 -1.258 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.329 -3.055 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.740 -3.441 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.830 -4.702 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.672 -1.962 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.499 -3.151 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.265 -3.233 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.374 -4.645 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.491 -3.064 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.338 -4.566 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.536 -3.107 -4.326 1.00 0.00 H new ATOM 255 N ASP A 16 -8.584 -3.312 -4.650 1.00 0.00 N ATOM 256 CA ASP A 16 -9.785 -3.914 -5.220 1.00 0.00 C ATOM 257 C ASP A 16 -9.871 -3.620 -6.715 1.00 0.00 C ATOM 258 O ASP A 16 -10.316 -4.456 -7.500 1.00 0.00 O ATOM 259 CB ASP A 16 -11.029 -3.377 -4.514 1.00 0.00 C ATOM 260 CG ASP A 16 -11.115 -3.948 -3.102 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.408 -4.904 -2.825 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.883 -3.418 -2.316 1.00 0.00 O ATOM 0 H ASP A 16 -8.762 -2.605 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.731 -4.993 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.993 -2.288 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.922 -3.645 -5.079 1.00 0.00 H new ATOM 267 N ASP A 17 -9.448 -2.422 -7.098 1.00 0.00 N ATOM 268 CA ASP A 17 -9.481 -2.016 -8.498 1.00 0.00 C ATOM 269 C ASP A 17 -8.540 -2.883 -9.327 1.00 0.00 C ATOM 270 O ASP A 17 -8.557 -2.831 -10.555 1.00 0.00 O ATOM 271 CB ASP A 17 -9.083 -0.545 -8.634 1.00 0.00 C ATOM 272 CG ASP A 17 -10.194 0.346 -8.089 1.00 0.00 C ATOM 273 OD1 ASP A 17 -9.940 1.524 -7.897 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.282 -0.161 -7.872 1.00 0.00 O ATOM 0 H ASP A 17 -9.079 -1.716 -6.461 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.498 -2.145 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.156 -0.358 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.893 -0.306 -9.680 1.00 0.00 H new ATOM 279 N SER A 18 -7.713 -3.673 -8.647 1.00 0.00 N ATOM 280 CA SER A 18 -6.763 -4.533 -9.335 1.00 0.00 C ATOM 281 C SER A 18 -7.487 -5.498 -10.261 1.00 0.00 C ATOM 282 O SER A 18 -6.922 -5.975 -11.245 1.00 0.00 O ATOM 283 CB SER A 18 -5.947 -5.328 -8.312 1.00 0.00 C ATOM 284 OG SER A 18 -6.809 -6.223 -7.622 1.00 0.00 O ATOM 0 H SER A 18 -7.683 -3.733 -7.629 1.00 0.00 H new ATOM 0 HA SER A 18 -6.098 -3.906 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.153 -5.882 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.466 -4.650 -7.606 1.00 0.00 H new ATOM 0 HG SER A 18 -6.908 -5.930 -6.692 1.00 0.00 H new ATOM 290 N SER A 19 -8.740 -5.766 -9.949 1.00 0.00 N ATOM 291 CA SER A 19 -9.553 -6.668 -10.769 1.00 0.00 C ATOM 292 C SER A 19 -10.170 -5.926 -11.949 1.00 0.00 C ATOM 293 O SER A 19 -10.603 -6.535 -12.926 1.00 0.00 O ATOM 294 CB SER A 19 -10.659 -7.301 -9.925 1.00 0.00 C ATOM 295 OG SER A 19 -11.304 -8.319 -10.682 1.00 0.00 O ATOM 0 H SER A 19 -9.223 -5.378 -9.139 1.00 0.00 H new ATOM 0 HA SER A 19 -8.900 -7.452 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.239 -7.722 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.382 -6.543 -9.624 1.00 0.00 H new ATOM 0 HG SER A 19 -12.013 -8.728 -10.143 1.00 0.00 H new ATOM 301 N SER A 20 -10.206 -4.611 -11.843 1.00 0.00 N ATOM 302 CA SER A 20 -10.771 -3.777 -12.903 1.00 0.00 C ATOM 303 C SER A 20 -9.772 -3.596 -14.040 1.00 0.00 C ATOM 304 O SER A 20 -8.568 -3.483 -13.810 1.00 0.00 O ATOM 305 CB SER A 20 -11.167 -2.407 -12.347 1.00 0.00 C ATOM 306 OG SER A 20 -9.992 -1.663 -12.058 1.00 0.00 O ATOM 0 H SER A 20 -9.853 -4.092 -11.039 1.00 0.00 H new ATOM 0 HA SER A 20 -11.658 -4.279 -13.290 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.782 -1.872 -13.070 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.767 -2.527 -11.445 1.00 0.00 H new ATOM 0 HG SER A 20 -9.327 -2.251 -11.643 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.279 -3.559 -15.266 1.00 0.00 N ATOM 314 CA LYS B 1 -9.423 -3.382 -16.431 1.00 0.00 C ATOM 315 C LYS B 1 -8.973 -1.932 -16.548 1.00 0.00 C ATOM 316 O LYS B 1 -8.432 -1.517 -17.575 1.00 0.00 O ATOM 317 CB LYS B 1 -10.173 -3.788 -17.698 1.00 0.00 C ATOM 318 CG LYS B 1 -10.439 -5.295 -17.672 1.00 0.00 C ATOM 319 CD LYS B 1 -11.303 -5.695 -18.874 1.00 0.00 C ATOM 320 CE LYS B 1 -10.464 -5.666 -20.156 1.00 0.00 C ATOM 321 NZ LYS B 1 -11.231 -6.290 -21.264 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.261 -4.556 -14.970 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.544 -4.016 -16.311 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.114 -3.243 -17.767 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.588 -3.526 -18.580 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.495 -5.840 -17.695 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -10.943 -5.568 -16.745 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -11.714 -6.693 -18.721 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -12.148 -5.013 -18.967 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.206 -4.638 -20.412 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -9.527 -6.201 -20.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -10.662 -6.270 -22.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -11.455 -7.276 -21.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.114 -5.762 -21.416 1.00 0.00 H new ATOM 335 N ASN B 2 -9.222 -1.162 -15.497 1.00 0.00 N ATOM 336 CA ASN B 2 -8.862 0.246 -15.502 1.00 0.00 C ATOM 337 C ASN B 2 -7.349 0.415 -15.665 1.00 0.00 C ATOM 338 O ASN B 2 -6.571 -0.440 -15.241 1.00 0.00 O ATOM 339 CB ASN B 2 -9.315 0.903 -14.189 1.00 0.00 C ATOM 340 CG ASN B 2 -8.565 0.295 -13.016 1.00 0.00 C ATOM 341 OD1 ASN B 2 -7.982 -0.780 -13.144 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.541 0.923 -11.873 1.00 0.00 N ATOM 0 H ASN B 2 -9.668 -1.486 -14.639 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.361 0.728 -16.343 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.134 1.977 -14.229 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.388 0.765 -14.056 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -8.037 0.523 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.026 1.815 -11.771 1.00 0.00 H new ATOM 349 N PRO B 3 -6.920 1.497 -16.271 1.00 0.00 N ATOM 350 CA PRO B 3 -5.467 1.774 -16.497 1.00 0.00 C ATOM 351 C PRO B 3 -4.698 1.942 -15.188 1.00 0.00 C ATOM 352 O PRO B 3 -3.484 1.752 -15.140 1.00 0.00 O ATOM 353 CB PRO B 3 -5.471 3.074 -17.325 1.00 0.00 C ATOM 354 CG PRO B 3 -6.791 3.714 -17.038 1.00 0.00 C ATOM 355 CD PRO B 3 -7.766 2.576 -16.812 1.00 0.00 C ATOM 0 HA PRO B 3 -4.963 0.950 -17.002 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.646 3.726 -17.039 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.357 2.864 -18.389 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.730 4.356 -16.159 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.110 4.342 -17.870 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.554 2.856 -16.113 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.254 2.276 -17.739 1.00 0.00 H new ATOM 363 N GLU B 4 -5.414 2.293 -14.133 1.00 0.00 N ATOM 364 CA GLU B 4 -4.800 2.478 -12.825 1.00 0.00 C ATOM 365 C GLU B 4 -4.248 1.164 -12.301 1.00 0.00 C ATOM 366 O GLU B 4 -3.492 1.143 -11.331 1.00 0.00 O ATOM 367 CB GLU B 4 -5.817 3.060 -11.839 1.00 0.00 C ATOM 368 CG GLU B 4 -6.118 4.524 -12.200 1.00 0.00 C ATOM 369 CD GLU B 4 -7.135 4.593 -13.330 1.00 0.00 C ATOM 370 OE1 GLU B 4 -7.555 5.688 -13.659 1.00 0.00 O ATOM 371 OE2 GLU B 4 -7.482 3.551 -13.849 1.00 0.00 O ATOM 0 H GLU B 4 -6.421 2.456 -14.155 1.00 0.00 H new ATOM 0 HA GLU B 4 -3.972 3.180 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.736 2.474 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.427 3.000 -10.823 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.501 5.050 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -5.199 5.028 -12.498 1.00 0.00 H new ATOM 378 N ALA B 5 -4.631 0.072 -12.947 1.00 0.00 N ATOM 379 CA ALA B 5 -4.172 -1.250 -12.542 1.00 0.00 C ATOM 380 C ALA B 5 -2.646 -1.313 -12.585 1.00 0.00 C ATOM 381 O ALA B 5 -2.025 -2.105 -11.879 1.00 0.00 O ATOM 382 CB ALA B 5 -4.758 -2.318 -13.467 1.00 0.00 C ATOM 0 H ALA B 5 -5.257 0.074 -13.752 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.508 -1.438 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.408 -3.302 -13.155 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.846 -2.287 -13.415 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.438 -2.128 -14.491 1.00 0.00 H new ATOM 388 N GLU B 6 -2.046 -0.471 -13.417 1.00 0.00 N ATOM 389 CA GLU B 6 -0.593 -0.441 -13.541 1.00 0.00 C ATOM 390 C GLU B 6 0.041 -0.092 -12.197 1.00 0.00 C ATOM 391 O GLU B 6 1.104 -0.608 -11.849 1.00 0.00 O ATOM 392 CB GLU B 6 -0.179 0.597 -14.587 1.00 0.00 C ATOM 393 CG GLU B 6 -0.636 0.140 -15.974 1.00 0.00 C ATOM 394 CD GLU B 6 0.126 -1.116 -16.385 1.00 0.00 C ATOM 395 OE1 GLU B 6 1.191 -1.344 -15.835 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.366 -1.833 -17.240 1.00 0.00 O ATOM 0 H GLU B 6 -2.538 0.196 -14.012 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.248 -1.426 -13.855 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.621 1.565 -14.348 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.903 0.729 -14.575 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.707 -0.061 -15.965 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -0.466 0.933 -16.702 1.00 0.00 H new ATOM 403 N GLU B 7 -0.618 0.776 -11.442 1.00 0.00 N ATOM 404 CA GLU B 7 -0.111 1.171 -10.136 1.00 0.00 C ATOM 405 C GLU B 7 -0.044 -0.036 -9.204 1.00 0.00 C ATOM 406 O GLU B 7 0.901 -0.186 -8.431 1.00 0.00 O ATOM 407 CB GLU B 7 -1.013 2.251 -9.524 1.00 0.00 C ATOM 408 CG GLU B 7 -0.462 2.670 -8.155 1.00 0.00 C ATOM 409 CD GLU B 7 0.941 3.246 -8.314 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.698 3.188 -7.359 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.239 3.735 -9.392 1.00 0.00 O ATOM 0 H GLU B 7 -1.498 1.217 -11.709 1.00 0.00 H new ATOM 0 HA GLU B 7 0.894 1.574 -10.262 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.063 3.115 -10.187 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.029 1.872 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.119 3.411 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.438 1.811 -7.485 1.00 0.00 H new ATOM 418 N ILE B 8 -1.049 -0.895 -9.283 1.00 0.00 N ATOM 419 CA ILE B 8 -1.090 -2.087 -8.443 1.00 0.00 C ATOM 420 C ILE B 8 0.112 -2.977 -8.751 1.00 0.00 C ATOM 421 O ILE B 8 0.745 -3.517 -7.844 1.00 0.00 O ATOM 422 CB ILE B 8 -2.399 -2.857 -8.692 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.543 -2.176 -7.931 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.255 -4.307 -8.206 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.604 -0.694 -8.302 1.00 0.00 C ATOM 0 H ILE B 8 -1.843 -0.792 -9.915 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.051 -1.790 -7.395 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.616 -2.857 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.490 -2.659 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.393 -2.285 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.186 -4.845 -8.386 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.444 -4.794 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.033 -4.313 -7.139 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.419 -0.216 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.661 -0.214 -8.039 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.775 -0.594 -9.374 1.00 0.00 H new ATOM 437 N THR B 9 0.417 -3.127 -10.033 1.00 0.00 N ATOM 438 CA THR B 9 1.543 -3.957 -10.442 1.00 0.00 C ATOM 439 C THR B 9 2.835 -3.402 -9.845 1.00 0.00 C ATOM 440 O THR B 9 3.668 -4.150 -9.336 1.00 0.00 O ATOM 441 CB THR B 9 1.646 -3.979 -11.968 1.00 0.00 C ATOM 442 OG1 THR B 9 0.469 -4.561 -12.512 1.00 0.00 O ATOM 443 CG2 THR B 9 2.867 -4.800 -12.389 1.00 0.00 C ATOM 0 H THR B 9 -0.093 -2.690 -10.801 1.00 0.00 H new ATOM 0 HA THR B 9 1.387 -4.974 -10.081 1.00 0.00 H new ATOM 0 HB THR B 9 1.753 -2.960 -12.340 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.533 -4.574 -13.490 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.938 -4.814 -13.477 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.769 -4.351 -11.972 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.765 -5.820 -12.019 1.00 0.00 H new ATOM 451 N ARG B 10 2.980 -2.083 -9.888 1.00 0.00 N ATOM 452 CA ARG B 10 4.160 -1.435 -9.326 1.00 0.00 C ATOM 453 C ARG B 10 4.227 -1.678 -7.820 1.00 0.00 C ATOM 454 O ARG B 10 5.295 -1.943 -7.269 1.00 0.00 O ATOM 455 CB ARG B 10 4.123 0.066 -9.612 1.00 0.00 C ATOM 456 CG ARG B 10 5.403 0.717 -9.083 1.00 0.00 C ATOM 457 CD ARG B 10 5.436 2.189 -9.492 1.00 0.00 C ATOM 458 NE ARG B 10 4.380 2.934 -8.809 1.00 0.00 N ATOM 459 CZ ARG B 10 4.186 4.226 -9.055 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.244 4.872 -8.428 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.941 4.849 -9.917 1.00 0.00 N ATOM 0 H ARG B 10 2.301 -1.445 -10.303 1.00 0.00 H new ATOM 0 HA ARG B 10 5.048 -1.861 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG B 10 4.029 0.241 -10.684 1.00 0.00 H new ATOM 0 HB3 ARG B 10 3.251 0.516 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.446 0.630 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.277 0.199 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.408 2.618 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG B 10 5.311 2.276 -10.571 1.00 0.00 H new ATOM 0 HE ARG B 10 3.783 2.456 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.657 4.386 -7.750 1.00 0.00 H new ATOM 0 HH12 ARG B 10 3.094 5.863 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.682 4.345 -10.404 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.790 5.840 -10.104 1.00 0.00 H new ATOM 475 N CYS B 11 3.076 -1.584 -7.161 1.00 0.00 N ATOM 476 CA CYS B 11 3.012 -1.799 -5.720 1.00 0.00 C ATOM 477 C CYS B 11 3.602 -3.160 -5.362 1.00 0.00 C ATOM 478 O CYS B 11 4.355 -3.287 -4.397 1.00 0.00 O ATOM 479 CB CYS B 11 1.558 -1.729 -5.253 1.00 0.00 C ATOM 480 SG CYS B 11 1.516 -1.581 -3.449 1.00 0.00 S ATOM 0 H CYS B 11 2.182 -1.362 -7.598 1.00 0.00 H new ATOM 0 HA CYS B 11 3.591 -1.022 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS B 11 1.057 -0.876 -5.711 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.019 -2.622 -5.569 1.00 0.00 H new ATOM 485 N LYS B 12 3.264 -4.172 -6.155 1.00 0.00 N ATOM 486 CA LYS B 12 3.776 -5.519 -5.919 1.00 0.00 C ATOM 487 C LYS B 12 5.294 -5.539 -6.078 1.00 0.00 C ATOM 488 O LYS B 12 6.001 -6.195 -5.312 1.00 0.00 O ATOM 489 CB LYS B 12 3.140 -6.500 -6.905 1.00 0.00 C ATOM 490 CG LYS B 12 1.652 -6.647 -6.583 1.00 0.00 C ATOM 491 CD LYS B 12 1.011 -7.628 -7.567 1.00 0.00 C ATOM 492 CE LYS B 12 -0.483 -7.752 -7.268 1.00 0.00 C ATOM 493 NZ LYS B 12 -1.106 -8.701 -8.232 1.00 0.00 N ATOM 0 H LYS B 12 2.643 -4.088 -6.960 1.00 0.00 H new ATOM 0 HA LYS B 12 3.521 -5.818 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS B 12 3.269 -6.142 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.635 -7.469 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.524 -7.004 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS B 12 1.158 -5.677 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.160 -7.282 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.490 -8.604 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -0.632 -8.104 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.962 -6.776 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -2.122 -8.785 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -0.975 -8.347 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -0.656 -9.634 -8.140 1.00 0.00 H new ATOM 507 N LYS B 13 5.788 -4.812 -7.076 1.00 0.00 N ATOM 508 CA LYS B 13 7.226 -4.745 -7.325 1.00 0.00 C ATOM 509 C LYS B 13 7.942 -4.145 -6.120 1.00 0.00 C ATOM 510 O LYS B 13 9.007 -4.613 -5.721 1.00 0.00 O ATOM 511 CB LYS B 13 7.506 -3.902 -8.571 1.00 0.00 C ATOM 512 CG LYS B 13 9.008 -3.909 -8.868 1.00 0.00 C ATOM 513 CD LYS B 13 9.281 -3.107 -10.140 1.00 0.00 C ATOM 514 CE LYS B 13 10.779 -3.128 -10.445 1.00 0.00 C ATOM 515 NZ LYS B 13 11.044 -2.349 -11.687 1.00 0.00 N ATOM 0 H LYS B 13 5.219 -4.264 -7.722 1.00 0.00 H new ATOM 0 HA LYS B 13 7.599 -5.756 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.955 -4.300 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.160 -2.880 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.557 -3.480 -8.030 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.361 -4.933 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.723 -3.529 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.939 -2.080 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS B 13 11.337 -2.703 -9.611 1.00 0.00 H new ATOM 0 HE3 LYS B 13 11.122 -4.155 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.063 -2.363 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.523 -2.773 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.731 -1.366 -11.554 1.00 0.00 H new ATOM 529 N LEU B 14 7.352 -3.104 -5.547 1.00 0.00 N ATOM 530 CA LEU B 14 7.945 -2.451 -4.386 1.00 0.00 C ATOM 531 C LEU B 14 8.027 -3.408 -3.207 1.00 0.00 C ATOM 532 O LEU B 14 9.029 -3.438 -2.491 1.00 0.00 O ATOM 533 CB LEU B 14 7.104 -1.230 -3.999 1.00 0.00 C ATOM 534 CG LEU B 14 7.295 -0.115 -5.040 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.194 0.939 -4.873 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.668 0.557 -4.839 1.00 0.00 C ATOM 0 H LEU B 14 6.472 -2.696 -5.863 1.00 0.00 H new ATOM 0 HA LEU B 14 8.956 -2.137 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.051 -1.507 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.398 -0.873 -3.012 1.00 0.00 H new ATOM 0 HG LEU B 14 7.242 -0.549 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.331 1.729 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.219 0.473 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.248 1.366 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.799 1.346 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.720 0.986 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.457 -0.185 -4.957 1.00 0.00 H new ATOM 548 N LEU B 15 6.973 -4.185 -3.012 1.00 0.00 N ATOM 549 CA LEU B 15 6.935 -5.144 -1.915 1.00 0.00 C ATOM 550 C LEU B 15 8.007 -6.211 -2.103 1.00 0.00 C ATOM 551 O LEU B 15 8.657 -6.630 -1.146 1.00 0.00 O ATOM 552 CB LEU B 15 5.557 -5.800 -1.850 1.00 0.00 C ATOM 553 CG LEU B 15 4.509 -4.748 -1.454 1.00 0.00 C ATOM 554 CD1 LEU B 15 3.109 -5.349 -1.593 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.732 -4.281 0.000 1.00 0.00 C ATOM 0 H LEU B 15 6.136 -4.172 -3.595 1.00 0.00 H new ATOM 0 HA LEU B 15 7.128 -4.616 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.304 -6.236 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.563 -6.614 -1.125 1.00 0.00 H new ATOM 0 HG LEU B 15 4.608 -3.886 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.364 -4.604 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.945 -5.655 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.019 -6.217 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.980 -3.536 0.262 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.648 -5.134 0.673 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.725 -3.842 0.093 1.00 0.00 H new ATOM 567 N ASP B 16 8.190 -6.641 -3.343 1.00 0.00 N ATOM 568 CA ASP B 16 9.186 -7.659 -3.656 1.00 0.00 C ATOM 569 C ASP B 16 10.586 -7.153 -3.318 1.00 0.00 C ATOM 570 O ASP B 16 11.446 -7.914 -2.875 1.00 0.00 O ATOM 571 CB ASP B 16 9.114 -8.030 -5.137 1.00 0.00 C ATOM 572 CG ASP B 16 7.847 -8.832 -5.412 1.00 0.00 C ATOM 573 OD1 ASP B 16 7.240 -9.292 -4.458 1.00 0.00 O ATOM 574 OD2 ASP B 16 7.499 -8.973 -6.573 1.00 0.00 O ATOM 0 H ASP B 16 7.664 -6.302 -4.148 1.00 0.00 H new ATOM 0 HA ASP B 16 8.976 -8.545 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP B 16 9.123 -7.127 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.991 -8.613 -5.418 1.00 0.00 H new ATOM 579 N ASP B 17 10.807 -5.863 -3.537 1.00 0.00 N ATOM 580 CA ASP B 17 12.102 -5.256 -3.257 1.00 0.00 C ATOM 581 C ASP B 17 12.397 -5.287 -1.762 1.00 0.00 C ATOM 582 O ASP B 17 13.510 -4.991 -1.334 1.00 0.00 O ATOM 583 CB ASP B 17 12.133 -3.811 -3.764 1.00 0.00 C ATOM 584 CG ASP B 17 12.189 -3.793 -5.288 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.967 -2.738 -5.856 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.455 -4.835 -5.865 1.00 0.00 O ATOM 0 H ASP B 17 10.108 -5.218 -3.907 1.00 0.00 H new ATOM 0 HA ASP B 17 12.868 -5.831 -3.777 1.00 0.00 H new ATOM 0 HB2 ASP B 17 11.248 -3.277 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.999 -3.292 -3.354 1.00 0.00 H new ATOM 591 N SER B 18 11.390 -5.636 -0.970 1.00 0.00 N ATOM 592 CA SER B 18 11.557 -5.687 0.474 1.00 0.00 C ATOM 593 C SER B 18 12.657 -6.667 0.855 1.00 0.00 C ATOM 594 O SER B 18 13.290 -6.531 1.901 1.00 0.00 O ATOM 595 CB SER B 18 10.244 -6.118 1.133 1.00 0.00 C ATOM 596 OG SER B 18 9.957 -7.461 0.767 1.00 0.00 O ATOM 0 H SER B 18 10.458 -5.885 -1.301 1.00 0.00 H new ATOM 0 HA SER B 18 11.836 -4.692 0.822 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.322 -6.032 2.217 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.433 -5.461 0.819 1.00 0.00 H new ATOM 0 HG SER B 18 9.230 -7.473 0.110 1.00 0.00 H new ATOM 602 N SER B 19 12.887 -7.638 -0.007 1.00 0.00 N ATOM 603 CA SER B 19 13.930 -8.637 0.235 1.00 0.00 C ATOM 604 C SER B 19 15.298 -8.110 -0.180 1.00 0.00 C ATOM 605 O SER B 19 16.332 -8.629 0.239 1.00 0.00 O ATOM 606 CB SER B 19 13.620 -9.923 -0.534 1.00 0.00 C ATOM 607 OG SER B 19 14.529 -10.942 -0.131 1.00 0.00 O ATOM 0 H SER B 19 12.373 -7.763 -0.879 1.00 0.00 H new ATOM 0 HA SER B 19 13.949 -8.850 1.304 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.594 -10.237 -0.341 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.704 -9.748 -1.607 1.00 0.00 H new ATOM 0 HG SER B 19 14.332 -11.768 -0.620 1.00 0.00 H new ATOM 613 N SER B 20 15.290 -7.079 -1.002 1.00 0.00 N ATOM 614 CA SER B 20 16.533 -6.473 -1.476 1.00 0.00 C ATOM 615 C SER B 20 17.121 -5.548 -0.415 1.00 0.00 C ATOM 616 O SER B 20 16.390 -4.861 0.296 1.00 0.00 O ATOM 617 CB SER B 20 16.282 -5.683 -2.764 1.00 0.00 C ATOM 618 OG SER B 20 15.527 -4.518 -2.463 1.00 0.00 O ATOM 0 H SER B 20 14.442 -6.639 -1.359 1.00 0.00 H new ATOM 0 HA SER B 20 17.244 -7.274 -1.678 1.00 0.00 H new ATOM 0 HB2 SER B 20 17.230 -5.406 -3.225 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.746 -6.301 -3.484 1.00 0.00 H new ATOM 0 HG SER B 20 14.870 -4.725 -1.766 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 18.444 -5.531 -0.321 1.00 0.00 N ATOM 626 CA LYS C 1 19.121 -4.683 0.651 1.00 0.00 C ATOM 627 C LYS C 1 19.102 -3.229 0.201 1.00 0.00 C ATOM 628 O LYS C 1 19.818 -2.388 0.747 1.00 0.00 O ATOM 629 CB LYS C 1 20.564 -5.146 0.834 1.00 0.00 C ATOM 630 CG LYS C 1 20.577 -6.521 1.507 1.00 0.00 C ATOM 631 CD LYS C 1 22.012 -7.056 1.578 1.00 0.00 C ATOM 632 CE LYS C 1 22.800 -6.306 2.658 1.00 0.00 C ATOM 633 NZ LYS C 1 24.094 -6.995 2.895 1.00 0.00 N ATOM 0 H3 LYS C 1 18.121 -6.403 0.144 1.00 0.00 H new ATOM 0 HA LYS C 1 18.593 -4.762 1.601 1.00 0.00 H new ATOM 0 HB2 LYS C 1 21.066 -5.197 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.114 -4.427 1.441 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.157 -6.448 2.510 1.00 0.00 H new ATOM 0 HG3 LYS C 1 19.949 -7.215 0.948 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.000 -8.123 1.800 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.501 -6.937 0.611 1.00 0.00 H new ATOM 0 HE2 LYS C 1 22.976 -5.276 2.346 1.00 0.00 H new ATOM 0 HE3 LYS C 1 22.223 -6.265 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 24.629 -6.486 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 23.916 -7.970 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.645 -7.012 2.013 1.00 0.00 H new ATOM 647 N ASN C 2 18.300 -2.948 -0.819 1.00 0.00 N ATOM 648 CA ASN C 2 18.217 -1.601 -1.354 1.00 0.00 C ATOM 649 C ASN C 2 17.713 -0.625 -0.286 1.00 0.00 C ATOM 650 O ASN C 2 16.946 -1.005 0.600 1.00 0.00 O ATOM 651 CB ASN C 2 17.270 -1.577 -2.563 1.00 0.00 C ATOM 652 CG ASN C 2 15.855 -1.914 -2.123 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.654 -2.432 -1.026 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.855 -1.647 -2.917 1.00 0.00 N ATOM 0 H ASN C 2 17.704 -3.631 -1.287 1.00 0.00 H new ATOM 0 HA ASN C 2 19.214 -1.292 -1.667 1.00 0.00 H new ATOM 0 HB2 ASN C 2 17.289 -0.593 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.606 -2.293 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.902 -1.868 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN C 2 15.026 -1.217 -3.826 1.00 0.00 H new ATOM 661 N PRO C 3 18.127 0.617 -0.353 1.00 0.00 N ATOM 662 CA PRO C 3 17.711 1.663 0.634 1.00 0.00 C ATOM 663 C PRO C 3 16.208 1.934 0.594 1.00 0.00 C ATOM 664 O PRO C 3 15.625 2.402 1.569 1.00 0.00 O ATOM 665 CB PRO C 3 18.524 2.902 0.213 1.00 0.00 C ATOM 666 CG PRO C 3 18.876 2.667 -1.220 1.00 0.00 C ATOM 667 CD PRO C 3 19.040 1.168 -1.371 1.00 0.00 C ATOM 0 HA PRO C 3 17.902 1.359 1.663 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.941 3.815 0.331 1.00 0.00 H new ATOM 0 HB3 PRO C 3 19.419 3.014 0.826 1.00 0.00 H new ATOM 0 HG2 PRO C 3 18.094 3.042 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.795 3.189 -1.486 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.772 0.834 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO C 3 20.070 0.857 -1.196 1.00 0.00 H new ATOM 675 N GLU C 4 15.592 1.630 -0.536 1.00 0.00 N ATOM 676 CA GLU C 4 14.159 1.834 -0.697 1.00 0.00 C ATOM 677 C GLU C 4 13.378 0.941 0.252 1.00 0.00 C ATOM 678 O GLU C 4 12.178 1.127 0.443 1.00 0.00 O ATOM 679 CB GLU C 4 13.746 1.556 -2.141 1.00 0.00 C ATOM 680 CG GLU C 4 14.270 2.667 -3.067 1.00 0.00 C ATOM 681 CD GLU C 4 15.732 2.423 -3.414 1.00 0.00 C ATOM 682 OE1 GLU C 4 16.265 3.172 -4.214 1.00 0.00 O ATOM 683 OE2 GLU C 4 16.301 1.501 -2.865 1.00 0.00 O ATOM 0 H GLU C 4 16.059 1.242 -1.355 1.00 0.00 H new ATOM 0 HA GLU C 4 13.931 2.873 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU C 4 14.140 0.591 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.660 1.496 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.674 2.700 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.162 3.636 -2.580 1.00 0.00 H new ATOM 690 N ALA C 5 14.068 -0.025 0.843 1.00 0.00 N ATOM 691 CA ALA C 5 13.436 -0.949 1.773 1.00 0.00 C ATOM 692 C ALA C 5 12.804 -0.181 2.931 1.00 0.00 C ATOM 693 O ALA C 5 11.863 -0.654 3.566 1.00 0.00 O ATOM 694 CB ALA C 5 14.466 -1.942 2.314 1.00 0.00 C ATOM 0 H ALA C 5 15.064 -0.189 0.695 1.00 0.00 H new ATOM 0 HA ALA C 5 12.658 -1.497 1.242 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.981 -2.628 3.009 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.896 -2.507 1.487 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.257 -1.400 2.833 1.00 0.00 H new ATOM 700 N GLU C 6 13.327 1.009 3.203 1.00 0.00 N ATOM 701 CA GLU C 6 12.804 1.834 4.287 1.00 0.00 C ATOM 702 C GLU C 6 11.337 2.170 4.030 1.00 0.00 C ATOM 703 O GLU C 6 10.533 2.240 4.961 1.00 0.00 O ATOM 704 CB GLU C 6 13.617 3.125 4.396 1.00 0.00 C ATOM 705 CG GLU C 6 15.042 2.796 4.845 1.00 0.00 C ATOM 706 CD GLU C 6 15.031 2.269 6.276 1.00 0.00 C ATOM 707 OE1 GLU C 6 14.062 2.526 6.973 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.991 1.620 6.656 1.00 0.00 O ATOM 0 H GLU C 6 14.107 1.422 2.692 1.00 0.00 H new ATOM 0 HA GLU C 6 12.883 1.279 5.222 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.637 3.637 3.434 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.148 3.804 5.108 1.00 0.00 H new ATOM 0 HG2 GLU C 6 15.479 2.053 4.179 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.667 3.687 4.782 1.00 0.00 H new ATOM 715 N GLU C 7 10.990 2.367 2.764 1.00 0.00 N ATOM 716 CA GLU C 7 9.614 2.679 2.400 1.00 0.00 C ATOM 717 C GLU C 7 8.691 1.522 2.776 1.00 0.00 C ATOM 718 O GLU C 7 7.575 1.730 3.250 1.00 0.00 O ATOM 719 CB GLU C 7 9.514 2.955 0.895 1.00 0.00 C ATOM 720 CG GLU C 7 8.062 3.288 0.526 1.00 0.00 C ATOM 721 CD GLU C 7 7.615 4.546 1.262 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.422 4.692 1.476 1.00 0.00 O ATOM 723 OE2 GLU C 7 8.473 5.343 1.605 1.00 0.00 O ATOM 0 H GLU C 7 11.637 2.317 1.977 1.00 0.00 H new ATOM 0 HA GLU C 7 9.305 3.570 2.946 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.168 3.784 0.623 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.852 2.085 0.333 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.976 3.436 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.411 2.453 0.786 1.00 0.00 H new ATOM 730 N ILE C 8 9.164 0.301 2.563 1.00 0.00 N ATOM 731 CA ILE C 8 8.370 -0.880 2.884 1.00 0.00 C ATOM 732 C ILE C 8 8.076 -0.909 4.381 1.00 0.00 C ATOM 733 O ILE C 8 6.958 -1.216 4.796 1.00 0.00 O ATOM 734 CB ILE C 8 9.134 -2.151 2.467 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.988 -2.360 0.955 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.567 -3.370 3.208 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.409 -1.094 0.210 1.00 0.00 C ATOM 0 H ILE C 8 10.085 0.102 2.173 1.00 0.00 H new ATOM 0 HA ILE C 8 7.427 -0.842 2.338 1.00 0.00 H new ATOM 0 HB ILE C 8 10.187 -2.036 2.722 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.602 -3.202 0.635 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.955 -2.609 0.712 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.113 -4.265 2.908 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.673 -3.224 4.283 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.512 -3.488 2.960 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.302 -1.251 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.776 -0.262 0.520 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.449 -0.865 0.441 1.00 0.00 H new ATOM 749 N THR C 9 9.082 -0.593 5.185 1.00 0.00 N ATOM 750 CA THR C 9 8.914 -0.589 6.632 1.00 0.00 C ATOM 751 C THR C 9 7.839 0.422 7.024 1.00 0.00 C ATOM 752 O THR C 9 6.976 0.138 7.854 1.00 0.00 O ATOM 753 CB THR C 9 10.236 -0.227 7.309 1.00 0.00 C ATOM 754 OG1 THR C 9 11.214 -1.209 6.990 1.00 0.00 O ATOM 755 CG2 THR C 9 10.037 -0.173 8.824 1.00 0.00 C ATOM 0 H THR C 9 10.016 -0.338 4.864 1.00 0.00 H new ATOM 0 HA THR C 9 8.608 -1.583 6.958 1.00 0.00 H new ATOM 0 HB THR C 9 10.572 0.748 6.955 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.063 -0.978 7.422 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.980 0.085 9.306 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.288 0.581 9.066 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.701 -1.146 9.182 1.00 0.00 H new ATOM 763 N ARG C 10 7.881 1.592 6.399 1.00 0.00 N ATOM 764 CA ARG C 10 6.891 2.630 6.668 1.00 0.00 C ATOM 765 C ARG C 10 5.499 2.141 6.273 1.00 0.00 C ATOM 766 O ARG C 10 4.522 2.377 6.983 1.00 0.00 O ATOM 767 CB ARG C 10 7.235 3.902 5.893 1.00 0.00 C ATOM 768 CG ARG C 10 6.226 4.997 6.240 1.00 0.00 C ATOM 769 CD ARG C 10 6.652 6.313 5.587 1.00 0.00 C ATOM 770 NE ARG C 10 6.553 6.218 4.133 1.00 0.00 N ATOM 771 CZ ARG C 10 6.927 7.228 3.355 1.00 0.00 C ATOM 772 NH1 ARG C 10 6.824 7.125 2.060 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.393 8.325 3.886 1.00 0.00 N ATOM 0 H ARG C 10 8.585 1.846 5.706 1.00 0.00 H new ATOM 0 HA ARG C 10 6.900 2.854 7.735 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.244 4.230 6.141 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.219 3.704 4.821 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.232 4.713 5.894 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.164 5.119 7.321 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.022 7.126 5.948 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.676 6.553 5.873 1.00 0.00 H new ATOM 0 HE ARG C 10 6.191 5.364 3.709 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.456 6.269 1.644 1.00 0.00 H new ATOM 0 HH12 ARG C 10 7.111 7.900 1.462 1.00 0.00 H new ATOM 0 HH21 ARG C 10 7.471 8.408 4.900 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.680 9.100 3.287 1.00 0.00 H new ATOM 787 N CYS C 11 5.419 1.460 5.133 1.00 0.00 N ATOM 788 CA CYS C 11 4.144 0.940 4.653 1.00 0.00 C ATOM 789 C CYS C 11 3.492 0.067 5.722 1.00 0.00 C ATOM 790 O CYS C 11 2.291 0.164 5.968 1.00 0.00 O ATOM 791 CB CYS C 11 4.367 0.117 3.385 1.00 0.00 C ATOM 792 SG CYS C 11 2.775 -0.162 2.562 1.00 0.00 S ATOM 0 H CYS C 11 6.216 1.257 4.529 1.00 0.00 H new ATOM 0 HA CYS C 11 3.484 1.779 4.431 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.049 0.639 2.714 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.832 -0.837 3.634 1.00 0.00 H new ATOM 797 N LYS C 12 4.296 -0.777 6.360 1.00 0.00 N ATOM 798 CA LYS C 12 3.787 -1.659 7.406 1.00 0.00 C ATOM 799 C LYS C 12 3.261 -0.833 8.579 1.00 0.00 C ATOM 800 O LYS C 12 2.232 -1.159 9.170 1.00 0.00 O ATOM 801 CB LYS C 12 4.896 -2.593 7.889 1.00 0.00 C ATOM 802 CG LYS C 12 5.260 -3.570 6.768 1.00 0.00 C ATOM 803 CD LYS C 12 6.371 -4.506 7.246 1.00 0.00 C ATOM 804 CE LYS C 12 6.755 -5.462 6.116 1.00 0.00 C ATOM 805 NZ LYS C 12 7.850 -6.361 6.578 1.00 0.00 N ATOM 0 H LYS C 12 5.295 -0.869 6.174 1.00 0.00 H new ATOM 0 HA LYS C 12 2.972 -2.255 6.996 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.772 -2.015 8.181 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.567 -3.141 8.772 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.383 -4.148 6.477 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.588 -3.021 5.885 1.00 0.00 H new ATOM 0 HD2 LYS C 12 7.240 -3.927 7.557 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.036 -5.071 8.116 1.00 0.00 H new ATOM 0 HE2 LYS C 12 5.889 -6.051 5.813 1.00 0.00 H new ATOM 0 HE3 LYS C 12 7.078 -4.897 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 8.112 -7.012 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 8.677 -5.791 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 7.526 -6.909 7.400 1.00 0.00 H new ATOM 819 N LYS C 13 3.977 0.237 8.909 1.00 0.00 N ATOM 820 CA LYS C 13 3.574 1.110 10.007 1.00 0.00 C ATOM 821 C LYS C 13 2.211 1.730 9.716 1.00 0.00 C ATOM 822 O LYS C 13 1.359 1.826 10.597 1.00 0.00 O ATOM 823 CB LYS C 13 4.614 2.212 10.215 1.00 0.00 C ATOM 824 CG LYS C 13 4.222 3.066 11.423 1.00 0.00 C ATOM 825 CD LYS C 13 5.283 4.142 11.654 1.00 0.00 C ATOM 826 CE LYS C 13 4.898 4.986 12.870 1.00 0.00 C ATOM 827 NZ LYS C 13 5.935 6.031 13.097 1.00 0.00 N ATOM 0 H LYS C 13 4.835 0.520 8.435 1.00 0.00 H new ATOM 0 HA LYS C 13 3.503 0.514 10.917 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.599 1.772 10.372 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.682 2.835 9.323 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.250 3.529 11.254 1.00 0.00 H new ATOM 0 HG3 LYS C 13 4.126 2.439 12.309 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.257 3.679 11.813 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.372 4.776 10.772 1.00 0.00 H new ATOM 0 HE2 LYS C 13 3.926 5.452 12.710 1.00 0.00 H new ATOM 0 HE3 LYS C 13 4.806 4.352 13.752 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 5.674 6.605 13.924 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 6.855 5.576 13.268 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 6.002 6.642 12.258 1.00 0.00 H new ATOM 841 N LEU C 14 2.013 2.152 8.473 1.00 0.00 N ATOM 842 CA LEU C 14 0.746 2.758 8.078 1.00 0.00 C ATOM 843 C LEU C 14 -0.397 1.766 8.224 1.00 0.00 C ATOM 844 O LEU C 14 -1.482 2.121 8.687 1.00 0.00 O ATOM 845 CB LEU C 14 0.836 3.230 6.623 1.00 0.00 C ATOM 846 CG LEU C 14 1.746 4.465 6.533 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.136 4.708 5.071 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.000 5.705 7.065 1.00 0.00 C ATOM 0 H LEU C 14 2.706 2.087 7.727 1.00 0.00 H new ATOM 0 HA LEU C 14 0.550 3.609 8.731 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.229 2.430 5.995 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.158 3.471 6.247 1.00 0.00 H new ATOM 0 HG LEU C 14 2.640 4.292 7.132 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.781 5.584 5.007 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.667 3.837 4.687 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.237 4.876 4.478 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.650 6.577 6.999 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.104 5.874 6.468 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.718 5.541 8.105 1.00 0.00 H new ATOM 860 N LEU C 15 -0.148 0.527 7.830 1.00 0.00 N ATOM 861 CA LEU C 15 -1.165 -0.513 7.925 1.00 0.00 C ATOM 862 C LEU C 15 -1.525 -0.779 9.382 1.00 0.00 C ATOM 863 O LEU C 15 -2.690 -0.977 9.719 1.00 0.00 O ATOM 864 CB LEU C 15 -0.652 -1.800 7.276 1.00 0.00 C ATOM 865 CG LEU C 15 -0.483 -1.578 5.766 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.209 -2.796 5.148 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.853 -1.362 5.093 1.00 0.00 C ATOM 0 H LEU C 15 0.743 0.216 7.443 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.059 -0.174 7.402 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.300 -2.090 7.721 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.351 -2.616 7.459 1.00 0.00 H new ATOM 0 HG LEU C 15 0.125 -0.688 5.607 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.330 -2.641 4.076 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.188 -2.931 5.608 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.398 -3.685 5.320 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.712 -1.206 4.023 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.479 -2.240 5.253 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.337 -0.487 5.526 1.00 0.00 H new ATOM 879 N ASP C 16 -0.517 -0.773 10.240 1.00 0.00 N ATOM 880 CA ASP C 16 -0.729 -1.012 11.665 1.00 0.00 C ATOM 881 C ASP C 16 -1.619 0.076 12.258 1.00 0.00 C ATOM 882 O ASP C 16 -2.437 -0.185 13.139 1.00 0.00 O ATOM 883 CB ASP C 16 0.611 -1.042 12.399 1.00 0.00 C ATOM 884 CG ASP C 16 1.372 -2.315 12.044 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.755 -3.222 11.508 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.562 -2.364 12.307 1.00 0.00 O ATOM 0 H ASP C 16 0.455 -0.606 9.979 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.223 -1.976 11.785 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.203 -0.167 12.129 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.446 -0.995 13.475 1.00 0.00 H new ATOM 891 N ASP C 17 -1.448 1.299 11.771 1.00 0.00 N ATOM 892 CA ASP C 17 -2.233 2.427 12.256 1.00 0.00 C ATOM 893 C ASP C 17 -3.707 2.235 11.914 1.00 0.00 C ATOM 894 O ASP C 17 -4.565 2.977 12.390 1.00 0.00 O ATOM 895 CB ASP C 17 -1.726 3.731 11.637 1.00 0.00 C ATOM 896 CG ASP C 17 -0.370 4.095 12.229 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.289 4.955 11.666 1.00 0.00 O ATOM 898 OD2 ASP C 17 -0.010 3.512 13.239 1.00 0.00 O ATOM 0 H ASP C 17 -0.774 1.535 11.042 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.124 2.481 13.339 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.643 3.622 10.556 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.440 4.533 11.822 1.00 0.00 H new ATOM 903 N SER C 18 -3.994 1.246 11.073 1.00 0.00 N ATOM 904 CA SER C 18 -5.366 0.983 10.665 1.00 0.00 C ATOM 905 C SER C 18 -6.239 0.678 11.871 1.00 0.00 C ATOM 906 O SER C 18 -7.452 0.885 11.844 1.00 0.00 O ATOM 907 CB SER C 18 -5.401 -0.204 9.700 1.00 0.00 C ATOM 908 OG SER C 18 -5.008 -1.381 10.393 1.00 0.00 O ATOM 0 H SER C 18 -3.300 0.620 10.665 1.00 0.00 H new ATOM 0 HA SER C 18 -5.753 1.873 10.169 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.404 -0.326 9.291 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.733 -0.023 8.858 1.00 0.00 H new ATOM 0 HG SER C 18 -4.106 -1.640 10.112 1.00 0.00 H new ATOM 914 N SER C 19 -5.614 0.203 12.930 1.00 0.00 N ATOM 915 CA SER C 19 -6.336 -0.117 14.162 1.00 0.00 C ATOM 916 C SER C 19 -6.536 1.128 15.018 1.00 0.00 C ATOM 917 O SER C 19 -7.380 1.156 15.912 1.00 0.00 O ATOM 918 CB SER C 19 -5.579 -1.176 14.963 1.00 0.00 C ATOM 919 OG SER C 19 -6.386 -1.610 16.052 1.00 0.00 O ATOM 0 H SER C 19 -4.610 0.028 12.970 1.00 0.00 H new ATOM 0 HA SER C 19 -7.315 -0.508 13.884 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.327 -2.021 14.323 1.00 0.00 H new ATOM 0 HB3 SER C 19 -4.639 -0.766 15.333 1.00 0.00 H new ATOM 0 HG SER C 19 -5.903 -2.290 16.566 1.00 0.00 H new ATOM 925 N SER C 20 -5.748 2.149 14.737 1.00 0.00 N ATOM 926 CA SER C 20 -5.833 3.406 15.480 1.00 0.00 C ATOM 927 C SER C 20 -6.997 4.257 14.985 1.00 0.00 C ATOM 928 O SER C 20 -7.322 4.250 13.798 1.00 0.00 O ATOM 929 CB SER C 20 -4.530 4.196 15.338 1.00 0.00 C ATOM 930 OG SER C 20 -4.427 4.695 14.012 1.00 0.00 O ATOM 0 H SER C 20 -5.041 2.139 14.002 1.00 0.00 H new ATOM 0 HA SER C 20 -5.999 3.162 16.529 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.511 5.020 16.052 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.677 3.557 15.566 1.00 0.00 H new ATOM 0 HG SER C 20 -4.520 3.955 13.376 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.765 0.528 -1.924 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.461 0.959 -1.381 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.530 1.354 -0.030 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.625 1.317 0.780 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.853 0.886 0.232 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.925 0.488 -1.120 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.840 0.092 -3.364 1.00 0.00 C HETATM 944 C8 ZBR A 100 -1.843 1.815 0.549 1.00 0.00 C HETATM 945 C9 ZBR A 100 3.088 0.845 1.095 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.872 0.151 -1.542 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.569 1.620 1.826 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.355 0.987 -2.004 1.00 0.00 H new