USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Single : A 1 LYS N :NH3+ -160:sc= -0.0707 (180deg=-0.506) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.79 F(o=-3.7!,f=-2.8) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0721 (180deg=-0.634) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -81:sc= 0.884 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -161:sc= -0.11 (180deg=-0.584) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN :FLIP amide:sc= -2.54 F(o=-3.5!,f=-2.5) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 160:sc= -0.0591 (180deg=-0.63) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot -88:sc= 1.18 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -159:sc= -0.074 (180deg=-0.558) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN :FLIP amide:sc= -3.35 F(o=-4!,f=-3.3) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 159:sc= -0.0968 (180deg=-0.601) USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 SER OG : rot -70:sc= 0.779 USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD Single : C 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.924 5.533 15.774 1.00 0.00 N ATOM 2 CA LYS A 1 -7.980 6.470 15.413 1.00 0.00 C ATOM 3 C LYS A 1 -7.393 7.665 14.672 1.00 0.00 C ATOM 4 O LYS A 1 -8.068 8.672 14.460 1.00 0.00 O ATOM 5 CB LYS A 1 -8.712 6.949 16.667 1.00 0.00 C ATOM 6 CG LYS A 1 -9.433 5.769 17.320 1.00 0.00 C ATOM 7 CD LYS A 1 -10.169 6.250 18.572 1.00 0.00 C ATOM 8 CE LYS A 1 -10.893 5.070 19.223 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.603 5.538 20.447 1.00 0.00 N ATOM 0 H3 LYS A 1 -7.339 4.598 15.962 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.688 5.960 14.760 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.003 7.389 17.369 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.429 7.728 16.407 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.139 5.327 16.617 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.716 4.991 17.583 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.462 6.690 19.276 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.884 7.029 18.309 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.604 4.634 18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.179 4.288 19.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.096 4.737 20.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.914 5.935 21.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.295 6.270 20.188 1.00 0.00 H new ATOM 23 N ASN A 2 -6.124 7.551 14.296 1.00 0.00 N ATOM 24 CA ASN A 2 -5.450 8.631 13.596 1.00 0.00 C ATOM 25 C ASN A 2 -6.134 8.926 12.262 1.00 0.00 C ATOM 26 O ASN A 2 -6.700 8.032 11.630 1.00 0.00 O ATOM 27 CB ASN A 2 -3.981 8.265 13.351 1.00 0.00 C ATOM 28 CG ASN A 2 -3.894 6.934 12.621 1.00 0.00 C ATOM 29 OD1 ASN A 2 -4.983 6.372 12.174 1.00 0.00 O flip ATOM 30 ND2 ASN A 2 -2.805 6.388 12.454 1.00 0.00 N flip ATOM 0 H ASN A 2 -5.547 6.727 14.464 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.502 9.524 14.219 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.496 9.044 12.763 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.449 8.204 14.300 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.954 6.829 12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.752 5.494 11.965 1.00 0.00 H new ATOM 37 N PRO A 3 -6.085 10.154 11.819 1.00 0.00 N ATOM 38 CA PRO A 3 -6.711 10.572 10.530 1.00 0.00 C ATOM 39 C PRO A 3 -6.056 9.894 9.328 1.00 0.00 C ATOM 40 O PRO A 3 -6.647 9.815 8.252 1.00 0.00 O ATOM 41 CB PRO A 3 -6.497 12.097 10.497 1.00 0.00 C ATOM 42 CG PRO A 3 -5.349 12.350 11.420 1.00 0.00 C ATOM 43 CD PRO A 3 -5.437 11.288 12.500 1.00 0.00 C ATOM 0 HA PRO A 3 -7.762 10.289 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.274 12.442 9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.391 12.628 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.400 12.287 10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.408 13.350 11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.451 11.018 12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.023 11.631 13.353 1.00 0.00 H new ATOM 51 N GLU A 4 -4.833 9.415 9.522 1.00 0.00 N ATOM 52 CA GLU A 4 -4.105 8.748 8.450 1.00 0.00 C ATOM 53 C GLU A 4 -4.817 7.463 8.044 1.00 0.00 C ATOM 54 O GLU A 4 -4.529 6.887 6.998 1.00 0.00 O ATOM 55 CB GLU A 4 -2.679 8.431 8.900 1.00 0.00 C ATOM 56 CG GLU A 4 -1.900 9.734 9.082 1.00 0.00 C ATOM 57 CD GLU A 4 -0.492 9.432 9.581 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.207 8.270 9.820 1.00 0.00 O ATOM 59 OE2 GLU A 4 0.282 10.365 9.713 1.00 0.00 O ATOM 0 H GLU A 4 -4.327 9.475 10.406 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.067 9.416 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.697 7.872 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.185 7.800 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.852 10.274 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.416 10.380 9.792 1.00 0.00 H new ATOM 66 N ALA A 5 -5.750 7.021 8.880 1.00 0.00 N ATOM 67 CA ALA A 5 -6.502 5.804 8.603 1.00 0.00 C ATOM 68 C ALA A 5 -7.246 5.930 7.278 1.00 0.00 C ATOM 69 O ALA A 5 -7.552 4.930 6.627 1.00 0.00 O ATOM 70 CB ALA A 5 -7.502 5.535 9.730 1.00 0.00 C ATOM 0 H ALA A 5 -6.003 7.486 9.752 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.801 4.972 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.059 4.623 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.966 5.417 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.195 6.373 9.809 1.00 0.00 H new ATOM 76 N GLU A 6 -7.543 7.164 6.886 1.00 0.00 N ATOM 77 CA GLU A 6 -8.263 7.406 5.641 1.00 0.00 C ATOM 78 C GLU A 6 -7.470 6.868 4.453 1.00 0.00 C ATOM 79 O GLU A 6 -8.043 6.341 3.500 1.00 0.00 O ATOM 80 CB GLU A 6 -8.496 8.911 5.458 1.00 0.00 C ATOM 81 CG GLU A 6 -9.463 9.412 6.532 1.00 0.00 C ATOM 82 CD GLU A 6 -10.844 8.802 6.316 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.117 8.379 5.206 1.00 0.00 O ATOM 84 OE2 GLU A 6 -11.604 8.755 7.270 1.00 0.00 O ATOM 0 H GLU A 6 -7.299 8.006 7.407 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.222 6.891 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.550 9.447 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.903 9.109 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.090 9.147 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.527 10.500 6.497 1.00 0.00 H new ATOM 91 N GLU A 7 -6.149 6.997 4.521 1.00 0.00 N ATOM 92 CA GLU A 7 -5.290 6.508 3.450 1.00 0.00 C ATOM 93 C GLU A 7 -5.427 4.991 3.307 1.00 0.00 C ATOM 94 O GLU A 7 -5.440 4.462 2.196 1.00 0.00 O ATOM 95 CB GLU A 7 -3.831 6.873 3.738 1.00 0.00 C ATOM 96 CG GLU A 7 -2.942 6.376 2.594 1.00 0.00 C ATOM 97 CD GLU A 7 -3.334 7.073 1.296 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.135 6.482 0.246 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.815 8.193 1.368 1.00 0.00 O ATOM 0 H GLU A 7 -5.654 7.432 5.299 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.598 6.978 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.730 7.953 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.513 6.426 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.895 6.574 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.045 5.297 2.484 1.00 0.00 H new ATOM 106 N ILE A 8 -5.525 4.302 4.434 1.00 0.00 N ATOM 107 CA ILE A 8 -5.660 2.849 4.423 1.00 0.00 C ATOM 108 C ILE A 8 -6.946 2.451 3.707 1.00 0.00 C ATOM 109 O ILE A 8 -6.957 1.506 2.920 1.00 0.00 O ATOM 110 CB ILE A 8 -5.664 2.309 5.861 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.241 2.350 6.428 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.181 0.868 5.870 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.693 3.776 6.367 1.00 0.00 C ATOM 0 H ILE A 8 -5.514 4.721 5.364 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.813 2.418 3.890 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.317 2.928 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.241 1.996 7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.596 1.679 5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.182 0.488 6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.196 0.843 5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.534 0.245 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.681 3.795 6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.675 4.115 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.331 4.436 6.954 1.00 0.00 H new ATOM 125 N THR A 9 -8.021 3.176 3.988 1.00 0.00 N ATOM 126 CA THR A 9 -9.306 2.885 3.363 1.00 0.00 C ATOM 127 C THR A 9 -9.193 3.037 1.849 1.00 0.00 C ATOM 128 O THR A 9 -9.705 2.215 1.090 1.00 0.00 O ATOM 129 CB THR A 9 -10.374 3.841 3.900 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.521 3.647 5.298 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.701 3.568 3.197 1.00 0.00 C ATOM 0 H THR A 9 -8.031 3.962 4.638 1.00 0.00 H new ATOM 0 HA THR A 9 -9.592 1.860 3.599 1.00 0.00 H new ATOM 0 HB THR A 9 -10.072 4.871 3.710 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.203 4.260 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.462 4.249 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.583 3.721 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.007 2.539 3.385 1.00 0.00 H new ATOM 139 N ARG A 10 -8.501 4.087 1.414 1.00 0.00 N ATOM 140 CA ARG A 10 -8.308 4.329 -0.014 1.00 0.00 C ATOM 141 C ARG A 10 -7.520 3.180 -0.637 1.00 0.00 C ATOM 142 O ARG A 10 -7.822 2.727 -1.741 1.00 0.00 O ATOM 143 CB ARG A 10 -7.565 5.647 -0.229 1.00 0.00 C ATOM 144 CG ARG A 10 -7.453 5.931 -1.727 1.00 0.00 C ATOM 145 CD ARG A 10 -6.852 7.317 -1.943 1.00 0.00 C ATOM 146 NE ARG A 10 -5.455 7.341 -1.516 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.735 8.454 -1.593 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.488 8.450 -1.209 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.270 9.549 -2.060 1.00 0.00 N ATOM 0 H ARG A 10 -8.067 4.780 2.024 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.284 4.392 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.094 6.460 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.572 5.594 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.830 5.175 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.437 5.874 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.921 7.590 -2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.422 8.058 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.026 6.490 -1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.068 7.593 -0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.934 9.304 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.243 9.551 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.715 10.403 -2.118 1.00 0.00 H new ATOM 163 N CYS A 11 -6.503 2.712 0.077 1.00 0.00 N ATOM 164 CA CYS A 11 -5.687 1.611 -0.417 1.00 0.00 C ATOM 165 C CYS A 11 -6.546 0.364 -0.629 1.00 0.00 C ATOM 166 O CYS A 11 -6.369 -0.364 -1.604 1.00 0.00 O ATOM 167 CB CYS A 11 -4.563 1.309 0.590 1.00 0.00 C ATOM 168 SG CYS A 11 -3.003 2.012 0.001 1.00 0.00 S ATOM 0 H CYS A 11 -6.226 3.073 0.990 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.249 1.897 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.815 1.726 1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.460 0.232 0.721 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.060 1.754 0.858 1.00 0.00 H new ATOM 173 N LYS A 12 -7.466 0.124 0.299 1.00 0.00 N ATOM 174 CA LYS A 12 -8.332 -1.046 0.215 1.00 0.00 C ATOM 175 C LYS A 12 -9.144 -0.999 -1.078 1.00 0.00 C ATOM 176 O LYS A 12 -9.283 -2.006 -1.771 1.00 0.00 O ATOM 177 CB LYS A 12 -9.282 -1.079 1.415 1.00 0.00 C ATOM 178 CG LYS A 12 -10.113 -2.362 1.374 1.00 0.00 C ATOM 179 CD LYS A 12 -11.018 -2.423 2.604 1.00 0.00 C ATOM 180 CE LYS A 12 -11.849 -3.707 2.561 1.00 0.00 C ATOM 181 NZ LYS A 12 -10.941 -4.888 2.589 1.00 0.00 N ATOM 0 H LYS A 12 -7.631 0.718 1.111 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.714 -1.944 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.713 -1.031 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.937 -0.208 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.714 -2.389 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.457 -3.232 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.417 -2.396 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.674 -1.553 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.532 -3.740 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.461 -3.727 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.464 -5.720 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.582 -5.073 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.142 -4.697 3.227 1.00 0.00 H new ATOM 195 N LYS A 13 -9.667 0.180 -1.401 1.00 0.00 N ATOM 196 CA LYS A 13 -10.448 0.351 -2.622 1.00 0.00 C ATOM 197 C LYS A 13 -9.580 0.085 -3.848 1.00 0.00 C ATOM 198 O LYS A 13 -10.025 -0.522 -4.821 1.00 0.00 O ATOM 199 CB LYS A 13 -11.018 1.766 -2.690 1.00 0.00 C ATOM 200 CG LYS A 13 -12.078 1.939 -1.602 1.00 0.00 C ATOM 201 CD LYS A 13 -12.659 3.352 -1.677 1.00 0.00 C ATOM 202 CE LYS A 13 -13.717 3.528 -0.586 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.288 4.902 -0.665 1.00 0.00 N ATOM 0 H LYS A 13 -9.566 1.025 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.271 -0.364 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.221 2.498 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.456 1.947 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.870 1.201 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.638 1.767 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.866 4.090 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.101 3.523 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.507 2.787 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.273 3.363 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.007 5.022 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.530 5.601 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.726 5.043 -1.598 1.00 0.00 H new ATOM 217 N LEU A 14 -8.335 0.544 -3.799 1.00 0.00 N ATOM 218 CA LEU A 14 -7.416 0.341 -4.913 1.00 0.00 C ATOM 219 C LEU A 14 -7.164 -1.141 -5.146 1.00 0.00 C ATOM 220 O LEU A 14 -7.130 -1.604 -6.291 1.00 0.00 O ATOM 221 CB LEU A 14 -6.086 1.050 -4.612 1.00 0.00 C ATOM 222 CG LEU A 14 -6.232 2.560 -4.867 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.194 3.325 -4.034 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.986 2.847 -6.355 1.00 0.00 C ATOM 0 H LEU A 14 -7.941 1.054 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.864 0.759 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.795 0.873 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.295 0.641 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.236 2.879 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.299 4.395 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.354 3.119 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.192 3.005 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.088 3.916 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.980 2.526 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.715 2.303 -6.956 1.00 0.00 H new ATOM 236 N LEU A 15 -6.993 -1.883 -4.057 1.00 0.00 N ATOM 237 CA LEU A 15 -6.741 -3.314 -4.162 1.00 0.00 C ATOM 238 C LEU A 15 -7.935 -4.015 -4.799 1.00 0.00 C ATOM 239 O LEU A 15 -7.772 -4.882 -5.658 1.00 0.00 O ATOM 240 CB LEU A 15 -6.485 -3.896 -2.770 1.00 0.00 C ATOM 241 CG LEU A 15 -5.163 -3.347 -2.223 1.00 0.00 C ATOM 242 CD1 LEU A 15 -5.015 -3.741 -0.753 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.983 -3.918 -3.032 1.00 0.00 C ATOM 0 H LEU A 15 -7.024 -1.522 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.863 -3.472 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.304 -3.637 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.446 -4.984 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.163 -2.260 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.075 -3.350 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.844 -3.327 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.020 -4.827 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.047 -3.523 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.980 -5.005 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.086 -3.630 -4.078 1.00 0.00 H new ATOM 255 N ASP A 16 -9.137 -3.621 -4.383 1.00 0.00 N ATOM 256 CA ASP A 16 -10.354 -4.196 -4.948 1.00 0.00 C ATOM 257 C ASP A 16 -10.547 -3.735 -6.393 1.00 0.00 C ATOM 258 O ASP A 16 -10.949 -4.507 -7.265 1.00 0.00 O ATOM 259 CB ASP A 16 -11.563 -3.785 -4.107 1.00 0.00 C ATOM 260 CG ASP A 16 -11.522 -4.493 -2.758 1.00 0.00 C ATOM 261 OD1 ASP A 16 -12.248 -4.078 -1.873 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.765 -5.442 -2.634 1.00 0.00 O ATOM 0 H ASP A 16 -9.293 -2.914 -3.665 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.260 -5.282 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.565 -2.705 -3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.485 -4.037 -4.632 1.00 0.00 H new ATOM 267 N ASP A 17 -10.250 -2.460 -6.641 1.00 0.00 N ATOM 268 CA ASP A 17 -10.399 -1.893 -7.975 1.00 0.00 C ATOM 269 C ASP A 17 -9.355 -2.480 -8.917 1.00 0.00 C ATOM 270 O ASP A 17 -9.407 -2.267 -10.126 1.00 0.00 O ATOM 271 CB ASP A 17 -10.251 -0.369 -7.922 1.00 0.00 C ATOM 272 CG ASP A 17 -11.460 0.247 -7.226 1.00 0.00 C ATOM 273 OD1 ASP A 17 -12.444 -0.454 -7.057 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.382 1.411 -6.870 1.00 0.00 O ATOM 0 H ASP A 17 -9.907 -1.805 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.393 -2.141 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.339 -0.102 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.159 0.031 -8.932 1.00 0.00 H new ATOM 279 N SER A 18 -8.400 -3.209 -8.351 1.00 0.00 N ATOM 280 CA SER A 18 -7.336 -3.804 -9.152 1.00 0.00 C ATOM 281 C SER A 18 -7.921 -4.733 -10.205 1.00 0.00 C ATOM 282 O SER A 18 -7.290 -5.006 -11.227 1.00 0.00 O ATOM 283 CB SER A 18 -6.391 -4.601 -8.250 1.00 0.00 C ATOM 284 OG SER A 18 -7.073 -5.743 -7.749 1.00 0.00 O ATOM 0 H SER A 18 -8.340 -3.401 -7.351 1.00 0.00 H new ATOM 0 HA SER A 18 -6.786 -3.003 -9.646 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.507 -4.907 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.046 -3.978 -7.425 1.00 0.00 H new ATOM 0 HG SER A 18 -7.630 -5.483 -6.985 1.00 0.00 H new ATOM 290 N SER A 19 -9.137 -5.195 -9.963 1.00 0.00 N ATOM 291 CA SER A 19 -9.815 -6.081 -10.913 1.00 0.00 C ATOM 292 C SER A 19 -10.478 -5.275 -12.027 1.00 0.00 C ATOM 293 O SER A 19 -10.918 -5.830 -13.033 1.00 0.00 O ATOM 294 CB SER A 19 -10.866 -6.922 -10.192 1.00 0.00 C ATOM 295 OG SER A 19 -10.221 -7.805 -9.286 1.00 0.00 O ATOM 0 H SER A 19 -9.677 -4.977 -9.125 1.00 0.00 H new ATOM 0 HA SER A 19 -9.068 -6.740 -11.355 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.560 -6.275 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.453 -7.489 -10.915 1.00 0.00 H new ATOM 0 HG SER A 19 -10.894 -8.345 -8.821 1.00 0.00 H new ATOM 301 N SER A 20 -10.544 -3.965 -11.837 1.00 0.00 N ATOM 302 CA SER A 20 -11.149 -3.080 -12.831 1.00 0.00 C ATOM 303 C SER A 20 -10.170 -2.795 -13.964 1.00 0.00 C ATOM 304 O SER A 20 -8.955 -2.805 -13.764 1.00 0.00 O ATOM 305 CB SER A 20 -11.581 -1.769 -12.177 1.00 0.00 C ATOM 306 OG SER A 20 -12.431 -2.054 -11.074 1.00 0.00 O ATOM 0 H SER A 20 -10.188 -3.489 -11.008 1.00 0.00 H new ATOM 0 HA SER A 20 -12.026 -3.579 -13.245 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.707 -1.210 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.102 -1.142 -12.901 1.00 0.00 H new ATOM 0 HG SER A 20 -12.709 -1.215 -10.650 1.00 0.00 H new ATOM 313 N LYS B 1 -10.704 -2.543 -15.153 1.00 0.00 N ATOM 314 CA LYS B 1 -9.867 -2.262 -16.314 1.00 0.00 C ATOM 315 C LYS B 1 -9.367 -0.821 -16.281 1.00 0.00 C ATOM 316 O LYS B 1 -8.816 -0.323 -17.263 1.00 0.00 O ATOM 317 CB LYS B 1 -10.656 -2.503 -17.601 1.00 0.00 C ATOM 318 CG LYS B 1 -11.026 -3.984 -17.704 1.00 0.00 C ATOM 319 CD LYS B 1 -11.801 -4.228 -19.000 1.00 0.00 C ATOM 320 CE LYS B 1 -12.177 -5.708 -19.099 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.932 -5.945 -20.363 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.769 -3.571 -15.013 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.008 -2.932 -16.287 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.558 -1.891 -17.607 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.062 -2.205 -18.465 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -10.125 -4.597 -17.686 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.630 -4.279 -16.846 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.700 -3.611 -19.020 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.195 -3.937 -19.859 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.279 -6.325 -19.078 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.783 -5.999 -18.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -13.188 -6.951 -20.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -13.796 -5.367 -20.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.339 -5.683 -21.176 1.00 0.00 H new ATOM 335 N ASN B 2 -9.578 -0.157 -15.152 1.00 0.00 N ATOM 336 CA ASN B 2 -9.160 1.225 -15.008 1.00 0.00 C ATOM 337 C ASN B 2 -7.645 1.359 -15.161 1.00 0.00 C ATOM 338 O ASN B 2 -6.892 0.445 -14.824 1.00 0.00 O ATOM 339 CB ASN B 2 -9.589 1.766 -13.639 1.00 0.00 C ATOM 340 CG ASN B 2 -9.093 0.841 -12.539 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.213 -0.080 -12.820 1.00 0.00 O flip ATOM 342 ND2 ASN B 2 -9.523 0.954 -11.392 1.00 0.00 N flip ATOM 0 H ASN B 2 -10.033 -0.553 -14.329 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.640 1.806 -15.795 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.187 2.768 -13.492 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.675 1.848 -13.595 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -10.211 1.675 -11.174 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.191 0.327 -10.659 1.00 0.00 H new ATOM 349 N PRO B 3 -7.185 2.479 -15.653 1.00 0.00 N ATOM 350 CA PRO B 3 -5.728 2.734 -15.850 1.00 0.00 C ATOM 351 C PRO B 3 -4.970 2.774 -14.526 1.00 0.00 C ATOM 352 O PRO B 3 -3.752 2.605 -14.493 1.00 0.00 O ATOM 353 CB PRO B 3 -5.689 4.100 -16.559 1.00 0.00 C ATOM 354 CG PRO B 3 -6.992 4.751 -16.222 1.00 0.00 C ATOM 355 CD PRO B 3 -8.002 3.624 -16.090 1.00 0.00 C ATOM 0 HA PRO B 3 -5.244 1.944 -16.424 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.847 4.700 -16.213 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.574 3.982 -17.636 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.916 5.318 -15.294 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.290 5.453 -17.001 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.778 3.864 -15.363 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.503 3.421 -17.036 1.00 0.00 H new ATOM 363 N GLU B 4 -5.699 3.003 -13.441 1.00 0.00 N ATOM 364 CA GLU B 4 -5.089 3.064 -12.119 1.00 0.00 C ATOM 365 C GLU B 4 -4.499 1.709 -11.743 1.00 0.00 C ATOM 366 O GLU B 4 -3.723 1.600 -10.797 1.00 0.00 O ATOM 367 CB GLU B 4 -6.124 3.485 -11.078 1.00 0.00 C ATOM 368 CG GLU B 4 -6.532 4.939 -11.322 1.00 0.00 C ATOM 369 CD GLU B 4 -7.601 5.355 -10.317 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.018 4.510 -9.542 1.00 0.00 O ATOM 371 OE2 GLU B 4 -7.983 6.513 -10.335 1.00 0.00 O ATOM 0 H GLU B 4 -6.708 3.149 -13.450 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.288 3.803 -12.143 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.998 2.836 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.712 3.375 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.662 5.590 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.911 5.054 -12.337 1.00 0.00 H new ATOM 378 N ALA B 5 -4.880 0.677 -12.488 1.00 0.00 N ATOM 379 CA ALA B 5 -4.388 -0.670 -12.230 1.00 0.00 C ATOM 380 C ALA B 5 -2.866 -0.710 -12.325 1.00 0.00 C ATOM 381 O ALA B 5 -2.217 -1.566 -11.728 1.00 0.00 O ATOM 382 CB ALA B 5 -4.995 -1.654 -13.231 1.00 0.00 C ATOM 0 H ALA B 5 -5.527 0.748 -13.274 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.685 -0.957 -11.221 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.620 -2.657 -13.028 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.081 -1.646 -13.136 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.717 -1.361 -14.243 1.00 0.00 H new ATOM 388 N GLU B 6 -2.303 0.216 -13.091 1.00 0.00 N ATOM 389 CA GLU B 6 -0.855 0.268 -13.269 1.00 0.00 C ATOM 390 C GLU B 6 -0.162 0.487 -11.927 1.00 0.00 C ATOM 391 O GLU B 6 0.902 -0.075 -11.670 1.00 0.00 O ATOM 392 CB GLU B 6 -0.489 1.409 -14.223 1.00 0.00 C ATOM 393 CG GLU B 6 -1.003 1.088 -15.628 1.00 0.00 C ATOM 394 CD GLU B 6 -0.247 -0.106 -16.199 1.00 0.00 C ATOM 395 OE1 GLU B 6 0.834 -0.386 -15.710 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.760 -0.722 -17.118 1.00 0.00 O ATOM 0 H GLU B 6 -2.820 0.936 -13.595 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.522 -0.681 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.924 2.345 -13.871 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.592 1.547 -14.243 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.070 0.870 -15.593 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -0.876 1.954 -16.278 1.00 0.00 H new ATOM 403 N GLU B 7 -0.779 1.293 -11.071 1.00 0.00 N ATOM 404 CA GLU B 7 -0.215 1.564 -9.754 1.00 0.00 C ATOM 405 C GLU B 7 -0.135 0.274 -8.937 1.00 0.00 C ATOM 406 O GLU B 7 0.829 0.050 -8.206 1.00 0.00 O ATOM 407 CB GLU B 7 -1.077 2.594 -9.016 1.00 0.00 C ATOM 408 CG GLU B 7 -0.463 2.886 -7.643 1.00 0.00 C ATOM 409 CD GLU B 7 0.925 3.494 -7.815 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.731 3.347 -6.910 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.159 4.103 -8.847 1.00 0.00 O ATOM 0 H GLU B 7 -1.662 1.767 -11.262 1.00 0.00 H new ATOM 0 HA GLU B 7 0.791 1.965 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.144 3.513 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.093 2.217 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.103 3.571 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.398 1.967 -7.061 1.00 0.00 H new ATOM 418 N ILE B 8 -1.153 -0.565 -9.063 1.00 0.00 N ATOM 419 CA ILE B 8 -1.188 -1.827 -8.329 1.00 0.00 C ATOM 420 C ILE B 8 -0.017 -2.708 -8.751 1.00 0.00 C ATOM 421 O ILE B 8 0.627 -3.335 -7.913 1.00 0.00 O ATOM 422 CB ILE B 8 -2.516 -2.552 -8.591 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.639 -1.859 -7.815 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.405 -4.012 -8.144 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.719 -0.384 -8.210 1.00 0.00 C ATOM 0 H ILE B 8 -1.962 -0.399 -9.662 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.106 -1.618 -7.262 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.740 -2.520 -9.657 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.590 -2.350 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.459 -1.947 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.349 -4.523 -8.332 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.609 -4.504 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.177 -4.050 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.521 0.099 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.772 0.106 -7.982 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.921 -0.304 -9.278 1.00 0.00 H new ATOM 437 N THR B 9 0.248 -2.747 -10.050 1.00 0.00 N ATOM 438 CA THR B 9 1.343 -3.558 -10.568 1.00 0.00 C ATOM 439 C THR B 9 2.666 -3.079 -9.979 1.00 0.00 C ATOM 440 O THR B 9 3.515 -3.883 -9.593 1.00 0.00 O ATOM 441 CB THR B 9 1.389 -3.456 -12.094 1.00 0.00 C ATOM 442 OG1 THR B 9 0.181 -3.969 -12.638 1.00 0.00 O ATOM 443 CG2 THR B 9 2.575 -4.260 -12.624 1.00 0.00 C ATOM 0 H THR B 9 -0.274 -2.232 -10.759 1.00 0.00 H new ATOM 0 HA THR B 9 1.181 -4.598 -10.284 1.00 0.00 H new ATOM 0 HB THR B 9 1.503 -2.412 -12.387 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.208 -3.903 -13.615 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.607 -4.187 -13.711 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.500 -3.863 -12.206 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.465 -5.305 -12.334 1.00 0.00 H new ATOM 451 N ARG B 10 2.834 -1.761 -9.904 1.00 0.00 N ATOM 452 CA ARG B 10 4.055 -1.184 -9.347 1.00 0.00 C ATOM 453 C ARG B 10 4.201 -1.582 -7.880 1.00 0.00 C ATOM 454 O ARG B 10 5.294 -1.913 -7.419 1.00 0.00 O ATOM 455 CB ARG B 10 4.019 0.339 -9.471 1.00 0.00 C ATOM 456 CG ARG B 10 5.341 0.921 -8.970 1.00 0.00 C ATOM 457 CD ARG B 10 5.377 2.423 -9.247 1.00 0.00 C ATOM 458 NE ARG B 10 4.393 3.119 -8.420 1.00 0.00 N ATOM 459 CZ ARG B 10 4.231 4.434 -8.512 1.00 0.00 C ATOM 460 NH1 ARG B 10 3.349 5.034 -7.761 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.956 5.127 -9.347 1.00 0.00 N ATOM 0 H ARG B 10 2.146 -1.077 -10.219 1.00 0.00 H new ATOM 0 HA ARG B 10 4.910 -1.566 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.853 0.626 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG B 10 3.189 0.742 -8.892 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.450 0.735 -7.901 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.178 0.429 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.374 2.813 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG B 10 5.172 2.610 -10.301 1.00 0.00 H new ATOM 0 HE ARG B 10 3.823 2.587 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.786 4.493 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG B 10 3.223 6.044 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.649 4.659 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.830 6.137 -9.416 1.00 0.00 H new ATOM 475 N CYS B 11 3.092 -1.547 -7.149 1.00 0.00 N ATOM 476 CA CYS B 11 3.112 -1.917 -5.739 1.00 0.00 C ATOM 477 C CYS B 11 3.581 -3.360 -5.572 1.00 0.00 C ATOM 478 O CYS B 11 4.322 -3.676 -4.641 1.00 0.00 O ATOM 479 CB CYS B 11 1.706 -1.751 -5.142 1.00 0.00 C ATOM 480 SG CYS B 11 1.592 -0.170 -4.272 1.00 0.00 S ATOM 0 H CYS B 11 2.177 -1.269 -7.505 1.00 0.00 H new ATOM 0 HA CYS B 11 3.808 -1.263 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.958 -1.796 -5.933 1.00 0.00 H new ATOM 0 HB3 CYS B 11 1.494 -2.570 -4.455 1.00 0.00 H new ATOM 0 HG CYS B 11 0.400 -0.035 -3.772 1.00 0.00 H new ATOM 485 N LYS B 12 3.126 -4.232 -6.466 1.00 0.00 N ATOM 486 CA LYS B 12 3.491 -5.642 -6.394 1.00 0.00 C ATOM 487 C LYS B 12 5.004 -5.795 -6.509 1.00 0.00 C ATOM 488 O LYS B 12 5.620 -6.552 -5.759 1.00 0.00 O ATOM 489 CB LYS B 12 2.806 -6.414 -7.523 1.00 0.00 C ATOM 490 CG LYS B 12 3.109 -7.905 -7.377 1.00 0.00 C ATOM 491 CD LYS B 12 2.376 -8.684 -8.469 1.00 0.00 C ATOM 492 CE LYS B 12 2.688 -10.174 -8.329 1.00 0.00 C ATOM 493 NZ LYS B 12 2.204 -10.660 -7.006 1.00 0.00 N ATOM 0 H LYS B 12 2.510 -3.990 -7.242 1.00 0.00 H new ATOM 0 HA LYS B 12 3.164 -6.044 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.729 -6.246 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.157 -6.053 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.183 -8.078 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.797 -8.256 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.302 -8.518 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.683 -8.328 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.209 -10.734 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.761 -10.342 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.099 -11.694 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 2.890 -10.401 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.284 -10.224 -6.791 1.00 0.00 H new ATOM 507 N LYS B 13 5.600 -5.056 -7.440 1.00 0.00 N ATOM 508 CA LYS B 13 7.047 -5.104 -7.634 1.00 0.00 C ATOM 509 C LYS B 13 7.758 -4.608 -6.378 1.00 0.00 C ATOM 510 O LYS B 13 8.781 -5.155 -5.970 1.00 0.00 O ATOM 511 CB LYS B 13 7.446 -4.241 -8.828 1.00 0.00 C ATOM 512 CG LYS B 13 6.929 -4.883 -10.114 1.00 0.00 C ATOM 513 CD LYS B 13 7.332 -4.022 -11.311 1.00 0.00 C ATOM 514 CE LYS B 13 6.842 -4.681 -12.602 1.00 0.00 C ATOM 515 NZ LYS B 13 7.232 -3.839 -13.768 1.00 0.00 N ATOM 0 H LYS B 13 5.108 -4.421 -8.068 1.00 0.00 H new ATOM 0 HA LYS B 13 7.341 -6.135 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS B 13 7.035 -3.237 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.530 -4.138 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.338 -5.888 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.844 -4.983 -10.073 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.905 -3.024 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.415 -3.904 -11.339 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.272 -5.678 -12.700 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.759 -4.802 -12.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.899 -4.286 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 6.802 -2.897 -13.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.267 -3.746 -13.798 1.00 0.00 H new ATOM 529 N LEU B 14 7.210 -3.566 -5.763 1.00 0.00 N ATOM 530 CA LEU B 14 7.802 -3.017 -4.547 1.00 0.00 C ATOM 531 C LEU B 14 7.808 -4.049 -3.430 1.00 0.00 C ATOM 532 O LEU B 14 8.798 -4.190 -2.705 1.00 0.00 O ATOM 533 CB LEU B 14 7.005 -1.779 -4.103 1.00 0.00 C ATOM 534 CG LEU B 14 7.409 -0.565 -4.954 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.273 0.464 -4.961 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.661 0.081 -4.345 1.00 0.00 C ATOM 0 H LEU B 14 6.367 -3.088 -6.081 1.00 0.00 H new ATOM 0 HA LEU B 14 8.834 -2.737 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.936 -1.967 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.192 -1.574 -3.049 1.00 0.00 H new ATOM 0 HG LEU B 14 7.612 -0.891 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.564 1.323 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.375 0.012 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.071 0.790 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.953 0.943 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.445 0.403 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.475 -0.644 -4.332 1.00 0.00 H new ATOM 548 N LEU B 15 6.702 -4.771 -3.296 1.00 0.00 N ATOM 549 CA LEU B 15 6.595 -5.786 -2.255 1.00 0.00 C ATOM 550 C LEU B 15 7.631 -6.882 -2.476 1.00 0.00 C ATOM 551 O LEU B 15 8.286 -7.329 -1.533 1.00 0.00 O ATOM 552 CB LEU B 15 5.193 -6.397 -2.273 1.00 0.00 C ATOM 553 CG LEU B 15 4.171 -5.344 -1.832 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.755 -5.874 -2.065 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.363 -5.020 -0.338 1.00 0.00 C ATOM 0 H LEU B 15 5.876 -4.675 -3.887 1.00 0.00 H new ATOM 0 HA LEU B 15 6.777 -5.317 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.953 -6.755 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.152 -7.260 -1.608 1.00 0.00 H new ATOM 0 HG LEU B 15 4.319 -4.436 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.029 -5.124 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.617 -6.091 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.608 -6.786 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.633 -4.271 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.223 -5.926 0.252 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.369 -4.634 -0.176 1.00 0.00 H new ATOM 567 N ASP B 16 7.790 -7.296 -3.730 1.00 0.00 N ATOM 568 CA ASP B 16 8.779 -8.316 -4.068 1.00 0.00 C ATOM 569 C ASP B 16 10.197 -7.765 -3.911 1.00 0.00 C ATOM 570 O ASP B 16 11.101 -8.449 -3.428 1.00 0.00 O ATOM 571 CB ASP B 16 8.564 -8.795 -5.504 1.00 0.00 C ATOM 572 CG ASP B 16 7.289 -9.624 -5.588 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.824 -9.846 -6.692 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.799 -10.030 -4.546 1.00 0.00 O ATOM 0 H ASP B 16 7.252 -6.945 -4.523 1.00 0.00 H new ATOM 0 HA ASP B 16 8.656 -9.157 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.497 -7.939 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.417 -9.390 -5.830 1.00 0.00 H new ATOM 579 N ASP B 17 10.383 -6.514 -4.321 1.00 0.00 N ATOM 580 CA ASP B 17 11.689 -5.872 -4.236 1.00 0.00 C ATOM 581 C ASP B 17 12.052 -5.611 -2.780 1.00 0.00 C ATOM 582 O ASP B 17 13.177 -5.221 -2.472 1.00 0.00 O ATOM 583 CB ASP B 17 11.683 -4.554 -5.014 1.00 0.00 C ATOM 584 CG ASP B 17 11.613 -4.833 -6.512 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.816 -5.976 -6.892 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.360 -3.902 -7.257 1.00 0.00 O ATOM 0 H ASP B 17 9.648 -5.927 -4.714 1.00 0.00 H new ATOM 0 HA ASP B 17 12.433 -6.538 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.831 -3.946 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.582 -3.982 -4.784 1.00 0.00 H new ATOM 591 N SER B 18 11.086 -5.808 -1.889 1.00 0.00 N ATOM 592 CA SER B 18 11.314 -5.565 -0.471 1.00 0.00 C ATOM 593 C SER B 18 12.458 -6.427 0.042 1.00 0.00 C ATOM 594 O SER B 18 13.102 -6.095 1.037 1.00 0.00 O ATOM 595 CB SER B 18 10.047 -5.896 0.323 1.00 0.00 C ATOM 596 OG SER B 18 9.856 -7.303 0.338 1.00 0.00 O ATOM 0 H SER B 18 10.147 -6.132 -2.121 1.00 0.00 H new ATOM 0 HA SER B 18 11.571 -4.514 -0.341 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.134 -5.518 1.342 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.184 -5.405 -0.127 1.00 0.00 H new ATOM 0 HG SER B 18 9.344 -7.572 -0.453 1.00 0.00 H new ATOM 602 N SER B 19 12.725 -7.516 -0.661 1.00 0.00 N ATOM 603 CA SER B 19 13.818 -8.413 -0.280 1.00 0.00 C ATOM 604 C SER B 19 15.155 -7.884 -0.794 1.00 0.00 C ATOM 605 O SER B 19 16.218 -8.349 -0.387 1.00 0.00 O ATOM 606 CB SER B 19 13.573 -9.812 -0.842 1.00 0.00 C ATOM 607 OG SER B 19 12.423 -10.372 -0.224 1.00 0.00 O ATOM 0 H SER B 19 12.208 -7.803 -1.492 1.00 0.00 H new ATOM 0 HA SER B 19 13.853 -8.462 0.808 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.432 -9.763 -1.922 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.441 -10.446 -0.662 1.00 0.00 H new ATOM 0 HG SER B 19 12.262 -11.269 -0.584 1.00 0.00 H new ATOM 613 N SER B 20 15.088 -6.908 -1.685 1.00 0.00 N ATOM 614 CA SER B 20 16.296 -6.307 -2.249 1.00 0.00 C ATOM 615 C SER B 20 16.891 -5.286 -1.285 1.00 0.00 C ATOM 616 O SER B 20 16.173 -4.662 -0.506 1.00 0.00 O ATOM 617 CB SER B 20 15.978 -5.632 -3.582 1.00 0.00 C ATOM 618 OG SER B 20 15.283 -6.548 -4.417 1.00 0.00 O ATOM 0 H SER B 20 14.215 -6.513 -2.035 1.00 0.00 H new ATOM 0 HA SER B 20 17.025 -7.100 -2.413 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.372 -4.741 -3.416 1.00 0.00 H new ATOM 0 HB3 SER B 20 16.898 -5.306 -4.067 1.00 0.00 H new ATOM 0 HG SER B 20 15.076 -6.118 -5.273 1.00 0.00 H new ATOM 625 N LYS C 1 18.206 -5.112 -1.349 1.00 0.00 N ATOM 626 CA LYS C 1 18.887 -4.156 -0.483 1.00 0.00 C ATOM 627 C LYS C 1 18.694 -2.734 -1.001 1.00 0.00 C ATOM 628 O LYS C 1 19.352 -1.800 -0.541 1.00 0.00 O ATOM 629 CB LYS C 1 20.379 -4.481 -0.413 1.00 0.00 C ATOM 630 CG LYS C 1 20.576 -5.841 0.255 1.00 0.00 C ATOM 631 CD LYS C 1 22.069 -6.161 0.334 1.00 0.00 C ATOM 632 CE LYS C 1 22.265 -7.525 0.997 1.00 0.00 C ATOM 633 NZ LYS C 1 23.720 -7.837 1.072 1.00 0.00 N ATOM 0 H3 LYS C 1 18.036 -5.995 -0.826 1.00 0.00 H new ATOM 0 HA LYS C 1 18.456 -4.228 0.516 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.807 -4.492 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.904 -3.709 0.149 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.142 -5.833 1.255 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.057 -6.614 -0.311 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.504 -6.165 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.587 -5.390 0.904 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.831 -7.521 1.997 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.746 -8.296 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.853 -8.765 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 24.121 -7.858 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.203 -7.107 1.633 1.00 0.00 H new ATOM 647 N ASN C 2 17.802 -2.582 -1.972 1.00 0.00 N ATOM 648 CA ASN C 2 17.546 -1.277 -2.557 1.00 0.00 C ATOM 649 C ASN C 2 17.019 -0.301 -1.506 1.00 0.00 C ATOM 650 O ASN C 2 16.353 -0.698 -0.551 1.00 0.00 O ATOM 651 CB ASN C 2 16.528 -1.403 -3.699 1.00 0.00 C ATOM 652 CG ASN C 2 15.274 -2.101 -3.199 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.129 -2.331 -1.923 1.00 0.00 O flip ATOM 654 ND2 ASN C 2 14.401 -2.450 -3.992 1.00 0.00 N flip ATOM 0 H ASN C 2 17.248 -3.342 -2.367 1.00 0.00 H new ATOM 0 HA ASN C 2 18.487 -0.891 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.276 -0.415 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN C 2 16.963 -1.965 -4.525 1.00 0.00 H new ATOM 0 HD21 ASN C 2 14.516 -2.269 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN C 2 13.562 -2.920 -3.652 1.00 0.00 H new ATOM 661 N PRO C 3 17.304 0.965 -1.668 1.00 0.00 N ATOM 662 CA PRO C 3 16.852 2.021 -0.713 1.00 0.00 C ATOM 663 C PRO C 3 15.331 2.154 -0.681 1.00 0.00 C ATOM 664 O PRO C 3 14.765 2.665 0.283 1.00 0.00 O ATOM 665 CB PRO C 3 17.515 3.304 -1.245 1.00 0.00 C ATOM 666 CG PRO C 3 17.804 3.025 -2.684 1.00 0.00 C ATOM 667 CD PRO C 3 18.093 1.537 -2.773 1.00 0.00 C ATOM 0 HA PRO C 3 17.132 1.793 0.315 1.00 0.00 H new ATOM 0 HB2 PRO C 3 16.854 4.164 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.429 3.532 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO C 3 16.955 3.296 -3.312 1.00 0.00 H new ATOM 0 HG3 PRO C 3 18.656 3.609 -3.031 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.790 1.127 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.156 1.327 -2.657 1.00 0.00 H new ATOM 675 N GLU C 4 14.682 1.692 -1.742 1.00 0.00 N ATOM 676 CA GLU C 4 13.229 1.763 -1.828 1.00 0.00 C ATOM 677 C GLU C 4 12.590 0.918 -0.733 1.00 0.00 C ATOM 678 O GLU C 4 11.398 1.038 -0.460 1.00 0.00 O ATOM 679 CB GLU C 4 12.757 1.278 -3.198 1.00 0.00 C ATOM 680 CG GLU C 4 13.195 2.275 -4.272 1.00 0.00 C ATOM 681 CD GLU C 4 12.764 1.779 -5.648 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.208 0.696 -5.718 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.992 2.492 -6.611 1.00 0.00 O ATOM 0 H GLU C 4 15.135 1.266 -2.551 1.00 0.00 H new ATOM 0 HA GLU C 4 12.926 2.801 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.173 0.293 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.672 1.174 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU C 4 12.755 3.252 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.277 2.401 -4.244 1.00 0.00 H new ATOM 690 N ALA C 5 13.392 0.062 -0.111 1.00 0.00 N ATOM 691 CA ALA C 5 12.902 -0.804 0.954 1.00 0.00 C ATOM 692 C ALA C 5 12.323 0.031 2.092 1.00 0.00 C ATOM 693 O ALA C 5 11.476 -0.437 2.853 1.00 0.00 O ATOM 694 CB ALA C 5 14.036 -1.683 1.484 1.00 0.00 C ATOM 0 H ALA C 5 14.383 -0.051 -0.325 1.00 0.00 H new ATOM 0 HA ALA C 5 12.117 -1.441 0.547 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.657 -2.325 2.279 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.427 -2.300 0.675 1.00 0.00 H new ATOM 0 HB3 ALA C 5 14.833 -1.051 1.876 1.00 0.00 H new ATOM 700 N GLU C 6 12.797 1.266 2.215 1.00 0.00 N ATOM 701 CA GLU C 6 12.327 2.152 3.274 1.00 0.00 C ATOM 702 C GLU C 6 10.826 2.393 3.144 1.00 0.00 C ATOM 703 O GLU C 6 10.114 2.470 4.144 1.00 0.00 O ATOM 704 CB GLU C 6 13.067 3.492 3.198 1.00 0.00 C ATOM 705 CG GLU C 6 14.541 3.287 3.554 1.00 0.00 C ATOM 706 CD GLU C 6 14.672 2.878 5.017 1.00 0.00 C ATOM 707 OE1 GLU C 6 13.750 3.145 5.770 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.690 2.303 5.362 1.00 0.00 O ATOM 0 H GLU C 6 13.501 1.674 1.600 1.00 0.00 H new ATOM 0 HA GLU C 6 12.526 1.678 4.235 1.00 0.00 H new ATOM 0 HB2 GLU C 6 12.980 3.910 2.195 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.614 4.208 3.883 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.975 2.520 2.913 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.099 4.206 3.373 1.00 0.00 H new ATOM 715 N GLU C 7 10.353 2.496 1.909 1.00 0.00 N ATOM 716 CA GLU C 7 8.933 2.714 1.666 1.00 0.00 C ATOM 717 C GLU C 7 8.114 1.538 2.198 1.00 0.00 C ATOM 718 O GLU C 7 7.032 1.724 2.753 1.00 0.00 O ATOM 719 CB GLU C 7 8.678 2.884 0.165 1.00 0.00 C ATOM 720 CG GLU C 7 7.185 3.129 -0.078 1.00 0.00 C ATOM 721 CD GLU C 7 6.752 4.416 0.617 1.00 0.00 C ATOM 722 OE1 GLU C 7 5.588 4.513 0.968 1.00 0.00 O ATOM 723 OE2 GLU C 7 7.590 5.289 0.780 1.00 0.00 O ATOM 0 H GLU C 7 10.925 2.433 1.067 1.00 0.00 H new ATOM 0 HA GLU C 7 8.627 3.621 2.188 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.262 3.720 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.003 1.993 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU C 7 6.988 3.199 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU C 7 6.603 2.288 0.299 1.00 0.00 H new ATOM 730 N ILE C 8 8.636 0.334 2.022 1.00 0.00 N ATOM 731 CA ILE C 8 7.944 -0.866 2.483 1.00 0.00 C ATOM 732 C ILE C 8 7.785 -0.827 4.000 1.00 0.00 C ATOM 733 O ILE C 8 6.728 -1.167 4.527 1.00 0.00 O ATOM 734 CB ILE C 8 8.727 -2.119 2.067 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.538 -2.360 0.566 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.216 -3.332 2.853 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.003 -1.138 -0.225 1.00 0.00 C ATOM 0 H ILE C 8 9.532 0.159 1.566 1.00 0.00 H new ATOM 0 HA ILE C 8 6.955 -0.901 2.025 1.00 0.00 H new ATOM 0 HB ILE C 8 9.786 -1.974 2.282 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.103 -3.239 0.257 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.489 -2.564 0.352 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.774 -4.220 2.555 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.353 -3.158 3.920 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.157 -3.482 2.643 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.864 -1.320 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.419 -0.268 0.074 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.058 -0.954 -0.023 1.00 0.00 H new ATOM 749 N THR C 9 8.839 -0.408 4.689 1.00 0.00 N ATOM 750 CA THR C 9 8.803 -0.331 6.144 1.00 0.00 C ATOM 751 C THR C 9 7.722 0.651 6.583 1.00 0.00 C ATOM 752 O THR C 9 6.975 0.391 7.527 1.00 0.00 O ATOM 753 CB THR C 9 10.163 0.126 6.676 1.00 0.00 C ATOM 754 OG1 THR C 9 11.151 -0.832 6.325 1.00 0.00 O ATOM 755 CG2 THR C 9 10.095 0.266 8.196 1.00 0.00 C ATOM 0 H THR C 9 9.722 -0.119 4.268 1.00 0.00 H new ATOM 0 HA THR C 9 8.576 -1.318 6.546 1.00 0.00 H new ATOM 0 HB THR C 9 10.423 1.090 6.239 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.024 -0.541 6.663 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.064 0.592 8.575 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.336 1.002 8.460 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.837 -0.696 8.639 1.00 0.00 H new ATOM 763 N ARG C 10 7.633 1.780 5.885 1.00 0.00 N ATOM 764 CA ARG C 10 6.627 2.791 6.201 1.00 0.00 C ATOM 765 C ARG C 10 5.226 2.217 6.005 1.00 0.00 C ATOM 766 O ARG C 10 4.321 2.461 6.805 1.00 0.00 O ATOM 767 CB ARG C 10 6.816 4.018 5.308 1.00 0.00 C ATOM 768 CG ARG C 10 5.808 5.097 5.707 1.00 0.00 C ATOM 769 CD ARG C 10 6.094 6.380 4.928 1.00 0.00 C ATOM 770 NE ARG C 10 5.805 6.189 3.509 1.00 0.00 N ATOM 771 CZ ARG C 10 5.997 7.172 2.635 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.729 6.982 1.372 1.00 0.00 N ATOM 773 NH2 ARG C 10 6.446 8.329 3.038 1.00 0.00 N ATOM 0 H ARG C 10 8.241 2.017 5.101 1.00 0.00 H new ATOM 0 HA ARG C 10 6.745 3.089 7.243 1.00 0.00 H new ATOM 0 HB2 ARG C 10 7.832 4.400 5.406 1.00 0.00 H new ATOM 0 HB3 ARG C 10 6.678 3.745 4.262 1.00 0.00 H new ATOM 0 HG2 ARG C 10 4.794 4.754 5.503 1.00 0.00 H new ATOM 0 HG3 ARG C 10 5.870 5.289 6.778 1.00 0.00 H new ATOM 0 HD2 ARG C 10 5.488 7.195 5.323 1.00 0.00 H new ATOM 0 HD3 ARG C 10 7.138 6.667 5.058 1.00 0.00 H new ATOM 0 HE ARG C 10 5.451 5.289 3.184 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.373 6.080 1.056 1.00 0.00 H new ATOM 0 HH12 ARG C 10 5.876 7.736 0.700 1.00 0.00 H new ATOM 0 HH21 ARG C 10 6.651 8.481 4.026 1.00 0.00 H new ATOM 0 HH22 ARG C 10 6.592 9.082 2.365 1.00 0.00 H new ATOM 787 N CYS C 11 5.050 1.452 4.932 1.00 0.00 N ATOM 788 CA CYS C 11 3.756 0.843 4.648 1.00 0.00 C ATOM 789 C CYS C 11 3.345 -0.093 5.782 1.00 0.00 C ATOM 790 O CYS C 11 2.176 -0.146 6.161 1.00 0.00 O ATOM 791 CB CYS C 11 3.828 0.065 3.328 1.00 0.00 C ATOM 792 SG CYS C 11 3.238 1.105 1.969 1.00 0.00 S ATOM 0 H CYS C 11 5.779 1.241 4.251 1.00 0.00 H new ATOM 0 HA CYS C 11 3.009 1.632 4.562 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.854 -0.251 3.137 1.00 0.00 H new ATOM 0 HB3 CYS C 11 3.223 -0.839 3.395 1.00 0.00 H new ATOM 0 HG CYS C 11 3.304 0.440 0.854 1.00 0.00 H new ATOM 797 N LYS C 12 4.313 -0.836 6.308 1.00 0.00 N ATOM 798 CA LYS C 12 4.035 -1.777 7.386 1.00 0.00 C ATOM 799 C LYS C 12 3.477 -1.034 8.596 1.00 0.00 C ATOM 800 O LYS C 12 2.509 -1.474 9.215 1.00 0.00 O ATOM 801 CB LYS C 12 5.320 -2.511 7.779 1.00 0.00 C ATOM 802 CG LYS C 12 5.002 -3.562 8.843 1.00 0.00 C ATOM 803 CD LYS C 12 6.273 -4.337 9.189 1.00 0.00 C ATOM 804 CE LYS C 12 5.958 -5.378 10.265 1.00 0.00 C ATOM 805 NZ LYS C 12 4.961 -6.352 9.737 1.00 0.00 N ATOM 0 H LYS C 12 5.288 -0.806 6.009 1.00 0.00 H new ATOM 0 HA LYS C 12 3.298 -2.502 7.042 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.762 -2.987 6.903 1.00 0.00 H new ATOM 0 HB3 LYS C 12 6.054 -1.802 8.161 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.602 -3.082 9.736 1.00 0.00 H new ATOM 0 HG3 LYS C 12 4.235 -4.245 8.477 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.667 -4.827 8.298 1.00 0.00 H new ATOM 0 HD3 LYS C 12 7.044 -3.653 9.544 1.00 0.00 H new ATOM 0 HE2 LYS C 12 6.869 -5.898 10.561 1.00 0.00 H new ATOM 0 HE3 LYS C 12 5.567 -4.888 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 5.006 -7.230 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 4.006 -5.946 9.810 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 5.174 -6.561 8.741 1.00 0.00 H new ATOM 819 N LYS C 13 4.084 0.106 8.915 1.00 0.00 N ATOM 820 CA LYS C 13 3.630 0.913 10.044 1.00 0.00 C ATOM 821 C LYS C 13 2.206 1.406 9.793 1.00 0.00 C ATOM 822 O LYS C 13 1.380 1.445 10.705 1.00 0.00 O ATOM 823 CB LYS C 13 4.561 2.106 10.246 1.00 0.00 C ATOM 824 CG LYS C 13 5.926 1.608 10.724 1.00 0.00 C ATOM 825 CD LYS C 13 6.853 2.803 10.946 1.00 0.00 C ATOM 826 CE LYS C 13 8.215 2.307 11.436 1.00 0.00 C ATOM 827 NZ LYS C 13 9.121 3.471 11.648 1.00 0.00 N ATOM 0 H LYS C 13 4.885 0.489 8.413 1.00 0.00 H new ATOM 0 HA LYS C 13 3.643 0.297 10.943 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.669 2.659 9.313 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.136 2.794 10.977 1.00 0.00 H new ATOM 0 HG2 LYS C 13 5.816 1.043 11.649 1.00 0.00 H new ATOM 0 HG3 LYS C 13 6.357 0.931 9.986 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.970 3.363 10.018 1.00 0.00 H new ATOM 0 HD3 LYS C 13 6.417 3.484 11.677 1.00 0.00 H new ATOM 0 HE2 LYS C 13 8.098 1.750 12.365 1.00 0.00 H new ATOM 0 HE3 LYS C 13 8.649 1.623 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 10.047 3.134 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 9.241 3.985 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 8.708 4.107 12.359 1.00 0.00 H new ATOM 841 N LEU C 14 1.923 1.787 8.553 1.00 0.00 N ATOM 842 CA LEU C 14 0.591 2.265 8.200 1.00 0.00 C ATOM 843 C LEU C 14 -0.452 1.177 8.411 1.00 0.00 C ATOM 844 O LEU C 14 -1.541 1.437 8.931 1.00 0.00 O ATOM 845 CB LEU C 14 0.580 2.714 6.730 1.00 0.00 C ATOM 846 CG LEU C 14 1.219 4.107 6.607 1.00 0.00 C ATOM 847 CD1 LEU C 14 1.761 4.303 5.187 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.152 5.176 6.887 1.00 0.00 C ATOM 0 H LEU C 14 2.590 1.775 7.782 1.00 0.00 H new ATOM 0 HA LEU C 14 0.343 3.107 8.846 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.127 1.997 6.117 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.443 2.739 6.355 1.00 0.00 H new ATOM 0 HG LEU C 14 2.035 4.196 7.324 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.213 5.291 5.103 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.512 3.541 4.976 1.00 0.00 H new ATOM 0 HD13 LEU C 14 0.944 4.216 4.471 1.00 0.00 H new ATOM 0 HD21 LEU C 14 0.598 6.167 6.802 1.00 0.00 H new ATOM 0 HD22 LEU C 14 -0.658 5.079 6.164 1.00 0.00 H new ATOM 0 HD23 LEU C 14 -0.242 5.041 7.894 1.00 0.00 H new ATOM 860 N LEU C 15 -0.113 -0.044 8.010 1.00 0.00 N ATOM 861 CA LEU C 15 -1.036 -1.160 8.159 1.00 0.00 C ATOM 862 C LEU C 15 -1.330 -1.409 9.632 1.00 0.00 C ATOM 863 O LEU C 15 -2.476 -1.630 10.015 1.00 0.00 O ATOM 864 CB LEU C 15 -0.424 -2.419 7.542 1.00 0.00 C ATOM 865 CG LEU C 15 -0.327 -2.250 6.022 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.471 -3.411 5.427 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.738 -2.224 5.405 1.00 0.00 C ATOM 0 H LEU C 15 0.783 -0.283 7.585 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.967 -0.916 7.648 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.566 -2.598 7.962 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.035 -3.289 7.783 1.00 0.00 H new ATOM 0 HG LEU C 15 0.178 -1.310 5.799 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.539 -3.289 4.346 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.473 -3.421 5.855 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.030 -4.352 5.655 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.660 -2.104 4.324 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.251 -3.159 5.630 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.303 -1.391 5.823 1.00 0.00 H new ATOM 879 N ASP C 16 -0.290 -1.352 10.457 1.00 0.00 N ATOM 880 CA ASP C 16 -0.458 -1.539 11.897 1.00 0.00 C ATOM 881 C ASP C 16 -1.191 -0.347 12.514 1.00 0.00 C ATOM 882 O ASP C 16 -2.044 -0.502 13.390 1.00 0.00 O ATOM 883 CB ASP C 16 0.908 -1.708 12.562 1.00 0.00 C ATOM 884 CG ASP C 16 1.509 -3.053 12.176 1.00 0.00 C ATOM 885 OD1 ASP C 16 2.700 -3.223 12.369 1.00 0.00 O ATOM 886 OD2 ASP C 16 0.766 -3.897 11.701 1.00 0.00 O ATOM 0 H ASP C 16 0.670 -1.180 10.159 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.054 -2.436 12.062 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.574 -0.901 12.256 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.805 -1.643 13.645 1.00 0.00 H new ATOM 891 N ASP C 17 -0.851 0.852 12.046 1.00 0.00 N ATOM 892 CA ASP C 17 -1.470 2.069 12.556 1.00 0.00 C ATOM 893 C ASP C 17 -2.926 2.148 12.122 1.00 0.00 C ATOM 894 O ASP C 17 -3.677 3.002 12.589 1.00 0.00 O ATOM 895 CB ASP C 17 -0.712 3.300 12.050 1.00 0.00 C ATOM 896 CG ASP C 17 0.645 3.398 12.742 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.839 2.703 13.726 1.00 0.00 O ATOM 898 OD2 ASP C 17 1.467 4.170 12.280 1.00 0.00 O ATOM 0 H ASP C 17 -0.153 1.005 11.318 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.428 2.046 13.645 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -0.575 3.235 10.971 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.294 4.201 12.244 1.00 0.00 H new ATOM 903 N SER C 18 -3.318 1.258 11.218 1.00 0.00 N ATOM 904 CA SER C 18 -4.684 1.252 10.712 1.00 0.00 C ATOM 905 C SER C 18 -5.673 1.067 11.854 1.00 0.00 C ATOM 906 O SER C 18 -6.841 1.443 11.745 1.00 0.00 O ATOM 907 CB SER C 18 -4.862 0.112 9.706 1.00 0.00 C ATOM 908 OG SER C 18 -4.729 -1.131 10.381 1.00 0.00 O ATOM 0 H SER C 18 -2.714 0.537 10.823 1.00 0.00 H new ATOM 0 HA SER C 18 -4.874 2.208 10.224 1.00 0.00 H new ATOM 0 HB2 SER C 18 -5.841 0.179 9.232 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.118 0.191 8.913 1.00 0.00 H new ATOM 0 HG SER C 18 -3.795 -1.260 10.648 1.00 0.00 H new ATOM 914 N SER C 19 -5.193 0.512 12.955 1.00 0.00 N ATOM 915 CA SER C 19 -6.043 0.301 14.128 1.00 0.00 C ATOM 916 C SER C 19 -6.146 1.575 14.961 1.00 0.00 C ATOM 917 O SER C 19 -6.991 1.685 15.849 1.00 0.00 O ATOM 918 CB SER C 19 -5.480 -0.828 14.988 1.00 0.00 C ATOM 919 OG SER C 19 -5.559 -2.050 14.270 1.00 0.00 O ATOM 0 H SER C 19 -4.228 0.200 13.067 1.00 0.00 H new ATOM 0 HA SER C 19 -7.040 0.030 13.780 1.00 0.00 H new ATOM 0 HB2 SER C 19 -4.445 -0.616 15.254 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.040 -0.904 15.920 1.00 0.00 H new ATOM 0 HG SER C 19 -5.197 -2.776 14.819 1.00 0.00 H new ATOM 925 N SER C 20 -5.283 2.533 14.664 1.00 0.00 N ATOM 926 CA SER C 20 -5.278 3.803 15.386 1.00 0.00 C ATOM 927 C SER C 20 -6.379 4.724 14.874 1.00 0.00 C ATOM 928 O SER C 20 -6.721 4.704 13.693 1.00 0.00 O ATOM 929 CB SER C 20 -3.927 4.499 15.226 1.00 0.00 C ATOM 930 OG SER C 20 -2.892 3.609 15.618 1.00 0.00 O ATOM 0 H SER C 20 -4.577 2.460 13.931 1.00 0.00 H new ATOM 0 HA SER C 20 -5.456 3.588 16.440 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.784 4.808 14.190 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.896 5.402 15.835 1.00 0.00 H new ATOM 0 HG SER C 20 -2.024 4.051 15.515 1.00 0.00 H new