USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 Set 1.1: A 24 MET CE :methyl -126:sc= -2.53 (180deg=-6.29!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.0736 USER MOD Set 2.1: A 1 LEU N :NH3+ -105:sc= 0.146 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.324 K(o=-0.18,f=-3.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.27 K(o=-3.3,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0646) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.5! C(o=-3.5!,f=-11!) USER MOD Single : A 46 SER OG : rot 134:sc= 0.649 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.59) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 60 ASN : amide:sc= -2.08! C(o=-2.1!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.604 12.192 -2.244 1.00 0.00 N ATOM 2 CA LEU A 1 5.562 11.205 -1.180 1.00 0.00 C ATOM 3 C LEU A 1 6.432 10.007 -1.565 1.00 0.00 C ATOM 4 O LEU A 1 6.520 9.652 -2.739 1.00 0.00 O ATOM 5 CB LEU A 1 4.114 10.831 -0.851 1.00 0.00 C ATOM 6 CG LEU A 1 3.631 11.195 0.554 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.393 12.093 0.494 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.385 9.938 1.392 1.00 0.00 C ATOM 0 H1 LEU A 1 6.206 12.989 -1.955 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.994 11.758 -3.105 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.642 12.537 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 1 5.977 11.620 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.460 11.317 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.997 9.756 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 1 4.418 11.764 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.071 12.337 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.635 13.012 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.590 11.571 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.042 10.225 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.626 9.322 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.312 9.370 1.477 1.00 0.00 H new ATOM 20 N LYS A 2 7.056 9.420 -0.554 1.00 0.00 N ATOM 21 CA LYS A 2 7.917 8.270 -0.773 1.00 0.00 C ATOM 22 C LYS A 2 7.193 7.002 -0.316 1.00 0.00 C ATOM 23 O LYS A 2 6.866 6.860 0.861 1.00 0.00 O ATOM 24 CB LYS A 2 9.274 8.481 -0.098 1.00 0.00 C ATOM 25 CG LYS A 2 10.153 9.427 -0.918 1.00 0.00 C ATOM 26 CD LYS A 2 10.954 10.359 -0.006 1.00 0.00 C ATOM 27 CE LYS A 2 12.321 10.678 -0.614 1.00 0.00 C ATOM 28 NZ LYS A 2 13.329 10.879 0.451 1.00 0.00 N ATOM 0 H LYS A 2 6.983 9.719 0.418 1.00 0.00 H new ATOM 0 HA LYS A 2 8.130 8.150 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.127 8.890 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.778 7.522 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.835 8.848 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.530 10.017 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.398 11.283 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.086 9.893 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.633 9.864 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.251 11.574 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.251 11.095 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.038 11.670 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.408 10.014 1.022 1.00 0.00 H new ATOM 42 N CYS A 3 6.964 6.112 -1.271 1.00 0.00 N ATOM 43 CA CYS A 3 6.285 4.861 -0.981 1.00 0.00 C ATOM 44 C CYS A 3 7.278 3.716 -1.188 1.00 0.00 C ATOM 45 O CYS A 3 8.206 3.832 -1.988 1.00 0.00 O ATOM 46 CB CYS A 3 5.029 4.688 -1.837 1.00 0.00 C ATOM 47 SG CYS A 3 3.989 6.187 -1.986 1.00 0.00 S ATOM 0 H CYS A 3 7.237 6.233 -2.246 1.00 0.00 H new ATOM 0 HA CYS A 3 5.943 4.861 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.328 4.370 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.426 3.885 -1.414 1.00 0.00 H new ATOM 52 N ASN A 4 7.050 2.637 -0.455 1.00 0.00 N ATOM 53 CA ASN A 4 7.913 1.472 -0.549 1.00 0.00 C ATOM 54 C ASN A 4 7.219 0.394 -1.384 1.00 0.00 C ATOM 55 O ASN A 4 6.030 0.501 -1.678 1.00 0.00 O ATOM 56 CB ASN A 4 8.199 0.886 0.835 1.00 0.00 C ATOM 57 CG ASN A 4 8.623 1.981 1.817 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.682 3.154 1.490 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.912 1.531 3.035 1.00 0.00 N ATOM 0 H ASN A 4 6.280 2.545 0.207 1.00 0.00 H new ATOM 0 HA ASN A 4 8.850 1.783 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.310 0.380 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.985 0.135 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.204 2.183 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.841 0.534 3.241 1.00 0.00 H new ATOM 66 N LYS A 5 7.993 -0.620 -1.744 1.00 0.00 N ATOM 67 CA LYS A 5 7.469 -1.715 -2.540 1.00 0.00 C ATOM 68 C LYS A 5 6.992 -2.833 -1.610 1.00 0.00 C ATOM 69 O LYS A 5 6.746 -2.599 -0.428 1.00 0.00 O ATOM 70 CB LYS A 5 8.502 -2.173 -3.571 1.00 0.00 C ATOM 71 CG LYS A 5 9.163 -0.972 -4.254 1.00 0.00 C ATOM 72 CD LYS A 5 10.683 -1.010 -4.077 1.00 0.00 C ATOM 73 CE LYS A 5 11.325 0.281 -4.587 1.00 0.00 C ATOM 74 NZ LYS A 5 12.294 -0.014 -5.666 1.00 0.00 N ATOM 0 H LYS A 5 8.979 -0.705 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 5 6.604 -1.386 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.262 -2.783 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.020 -2.802 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.917 -0.972 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.767 -0.047 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.927 -1.151 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.095 -1.863 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.554 0.956 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.829 0.792 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.721 0.873 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.039 -0.641 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.803 -0.482 -6.455 1.00 0.00 H new ATOM 88 N LEU A 6 6.877 -4.024 -2.179 1.00 0.00 N ATOM 89 CA LEU A 6 6.434 -5.179 -1.416 1.00 0.00 C ATOM 90 C LEU A 6 7.344 -5.358 -0.198 1.00 0.00 C ATOM 91 O LEU A 6 6.942 -5.958 0.797 1.00 0.00 O ATOM 92 CB LEU A 6 6.356 -6.416 -2.312 1.00 0.00 C ATOM 93 CG LEU A 6 5.692 -7.650 -1.697 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.191 -7.670 -1.994 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.385 -8.934 -2.160 1.00 0.00 C ATOM 0 H LEU A 6 7.083 -4.214 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 6 5.423 -5.023 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.813 -6.150 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.368 -6.685 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 6 5.806 -7.595 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.743 -8.557 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.725 -6.778 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.034 -7.690 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.894 -9.796 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.324 -9.009 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.432 -8.913 -1.856 1.00 0.00 H new ATOM 107 N VAL A 7 8.552 -4.828 -0.318 1.00 0.00 N ATOM 108 CA VAL A 7 9.522 -4.922 0.760 1.00 0.00 C ATOM 109 C VAL A 7 9.818 -3.520 1.296 1.00 0.00 C ATOM 110 O VAL A 7 10.298 -2.659 0.561 1.00 0.00 O ATOM 111 CB VAL A 7 10.774 -5.654 0.275 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.888 -5.586 1.321 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.454 -7.105 -0.092 1.00 0.00 C ATOM 0 H VAL A 7 8.882 -4.332 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 7 9.120 -5.508 1.586 1.00 0.00 H new ATOM 0 HB VAL A 7 11.128 -5.152 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.767 -6.114 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.144 -4.544 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.547 -6.051 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.362 -7.603 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.063 -7.624 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.709 -7.123 -0.887 1.00 0.00 H new ATOM 123 N PRO A 8 9.521 -3.336 2.575 1.00 0.00 N ATOM 124 CA PRO A 8 10.020 -2.134 3.316 1.00 0.00 C ATOM 125 C PRO A 8 11.560 -1.847 3.403 1.00 0.00 C ATOM 126 O PRO A 8 12.083 -1.568 4.481 1.00 0.00 O ATOM 127 CB PRO A 8 9.371 -2.312 4.708 1.00 0.00 C ATOM 128 CG PRO A 8 8.221 -3.300 4.509 1.00 0.00 C ATOM 129 CD PRO A 8 8.714 -4.237 3.409 1.00 0.00 C ATOM 0 HA PRO A 8 9.742 -1.241 2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.093 -2.693 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.006 -1.360 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.002 -3.845 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.304 -2.789 4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.305 -5.060 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.889 -4.679 2.851 1.00 0.00 H new ATOM 137 N ILE A 9 12.211 -1.932 2.252 1.00 0.00 N ATOM 138 CA ILE A 9 13.642 -1.691 2.183 1.00 0.00 C ATOM 139 C ILE A 9 13.928 -0.659 1.090 1.00 0.00 C ATOM 140 O ILE A 9 14.715 0.265 1.295 1.00 0.00 O ATOM 141 CB ILE A 9 14.399 -3.008 1.999 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.819 -2.907 2.560 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.391 -3.445 0.533 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.755 -2.223 1.562 1.00 0.00 C ATOM 0 H ILE A 9 11.774 -2.164 1.360 1.00 0.00 H new ATOM 0 HA ILE A 9 14.004 -1.271 3.122 1.00 0.00 H new ATOM 0 HB ILE A 9 13.883 -3.781 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.806 -2.346 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.194 -3.904 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.936 -4.384 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.362 -3.584 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.869 -2.679 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.758 -2.164 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.785 -2.799 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.390 -1.218 1.351 1.00 0.00 H new ATOM 156 N ALA A 10 13.275 -0.851 -0.047 1.00 0.00 N ATOM 157 CA ALA A 10 13.450 0.051 -1.172 1.00 0.00 C ATOM 158 C ALA A 10 12.156 0.837 -1.396 1.00 0.00 C ATOM 159 O ALA A 10 11.067 0.265 -1.379 1.00 0.00 O ATOM 160 CB ALA A 10 13.868 -0.749 -2.408 1.00 0.00 C ATOM 0 H ALA A 10 12.624 -1.618 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 10 14.242 0.771 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.999 -0.072 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.807 -1.265 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.096 -1.481 -2.646 1.00 0.00 H new ATOM 166 N TYR A 11 12.319 2.136 -1.600 1.00 0.00 N ATOM 167 CA TYR A 11 11.178 3.006 -1.827 1.00 0.00 C ATOM 168 C TYR A 11 11.587 4.253 -2.613 1.00 0.00 C ATOM 169 O TYR A 11 12.717 4.723 -2.495 1.00 0.00 O ATOM 170 CB TYR A 11 10.688 3.429 -0.440 1.00 0.00 C ATOM 171 CG TYR A 11 11.763 4.090 0.425 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.650 3.310 1.139 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.846 5.466 0.491 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.661 3.932 1.953 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.858 6.089 1.304 1.00 0.00 C ATOM 176 CZ TYR A 11 13.716 5.291 1.996 1.00 0.00 C ATOM 177 OH TYR A 11 14.671 5.878 2.764 1.00 0.00 O ATOM 0 H TYR A 11 13.224 2.607 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 11 10.410 2.489 -2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.854 4.121 -0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.305 2.552 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.585 2.233 1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.151 6.076 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.361 3.333 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.934 7.165 1.363 1.00 0.00 H new ATOM 0 HH TYR A 11 14.591 6.852 2.697 1.00 0.00 H new ATOM 187 N LYS A 12 10.644 4.755 -3.397 1.00 0.00 N ATOM 188 CA LYS A 12 10.893 5.939 -4.202 1.00 0.00 C ATOM 189 C LYS A 12 9.717 6.907 -4.055 1.00 0.00 C ATOM 190 O LYS A 12 8.814 6.675 -3.252 1.00 0.00 O ATOM 191 CB LYS A 12 11.190 5.549 -5.651 1.00 0.00 C ATOM 192 CG LYS A 12 9.955 4.942 -6.319 1.00 0.00 C ATOM 193 CD LYS A 12 10.179 4.758 -7.822 1.00 0.00 C ATOM 194 CE LYS A 12 10.793 3.389 -8.121 1.00 0.00 C ATOM 195 NZ LYS A 12 11.024 3.231 -9.574 1.00 0.00 N ATOM 0 H LYS A 12 9.707 4.364 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 12 11.782 6.460 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.515 6.427 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.011 4.833 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.726 3.980 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.093 5.588 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.231 4.858 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.836 5.544 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.735 3.281 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.130 2.601 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.441 2.297 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.119 3.313 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.674 3.972 -9.905 1.00 0.00 H new ATOM 209 N THR A 13 9.765 7.972 -4.842 1.00 0.00 N ATOM 210 CA THR A 13 8.715 8.976 -4.809 1.00 0.00 C ATOM 211 C THR A 13 7.552 8.560 -5.711 1.00 0.00 C ATOM 212 O THR A 13 7.750 8.267 -6.890 1.00 0.00 O ATOM 213 CB THR A 13 9.335 10.320 -5.195 1.00 0.00 C ATOM 214 OG1 THR A 13 9.657 10.925 -3.946 1.00 0.00 O ATOM 215 CG2 THR A 13 8.316 11.276 -5.820 1.00 0.00 C ATOM 0 H THR A 13 10.515 8.161 -5.507 1.00 0.00 H new ATOM 0 HA THR A 13 8.290 9.073 -3.810 1.00 0.00 H new ATOM 0 HB THR A 13 10.155 10.155 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.066 11.802 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.807 12.215 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.901 10.826 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.513 11.469 -5.108 1.00 0.00 H new ATOM 223 N CYS A 14 6.364 8.548 -5.125 1.00 0.00 N ATOM 224 CA CYS A 14 5.169 8.173 -5.862 1.00 0.00 C ATOM 225 C CYS A 14 4.911 9.238 -6.931 1.00 0.00 C ATOM 226 O CYS A 14 4.508 10.356 -6.615 1.00 0.00 O ATOM 227 CB CYS A 14 3.966 7.994 -4.935 1.00 0.00 C ATOM 228 SG CYS A 14 4.196 6.748 -3.614 1.00 0.00 S ATOM 0 H CYS A 14 6.203 8.792 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 14 5.323 7.206 -6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.734 8.954 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.101 7.712 -5.535 1.00 0.00 H new ATOM 233 N PRO A 15 5.154 8.852 -8.175 1.00 0.00 N ATOM 234 CA PRO A 15 5.101 9.829 -9.310 1.00 0.00 C ATOM 235 C PRO A 15 3.761 10.568 -9.649 1.00 0.00 C ATOM 236 O PRO A 15 2.771 10.426 -8.933 1.00 0.00 O ATOM 237 CB PRO A 15 5.630 8.988 -10.494 1.00 0.00 C ATOM 238 CG PRO A 15 5.332 7.530 -10.138 1.00 0.00 C ATOM 239 CD PRO A 15 5.494 7.471 -8.621 1.00 0.00 C ATOM 0 HA PRO A 15 5.681 10.710 -9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.139 9.271 -11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.699 9.144 -10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.325 7.244 -10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.021 6.850 -10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.829 6.731 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.510 7.197 -8.337 1.00 0.00 H new ATOM 247 N GLU A 16 3.799 11.325 -10.736 1.00 0.00 N ATOM 248 CA GLU A 16 2.629 12.070 -11.171 1.00 0.00 C ATOM 249 C GLU A 16 1.437 11.128 -11.347 1.00 0.00 C ATOM 250 O GLU A 16 1.463 10.239 -12.196 1.00 0.00 O ATOM 251 CB GLU A 16 2.918 12.838 -12.462 1.00 0.00 C ATOM 252 CG GLU A 16 3.764 14.081 -12.184 1.00 0.00 C ATOM 253 CD GLU A 16 4.627 14.439 -13.395 1.00 0.00 C ATOM 254 OE1 GLU A 16 4.032 14.846 -14.416 1.00 0.00 O ATOM 255 OE2 GLU A 16 5.863 14.297 -13.273 1.00 0.00 O ATOM 0 H GLU A 16 4.621 11.439 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 16 2.379 12.800 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.439 12.189 -13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.980 13.131 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.114 14.920 -11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.402 13.905 -11.318 1.00 0.00 H new ATOM 262 N GLY A 17 0.419 11.355 -10.529 1.00 0.00 N ATOM 263 CA GLY A 17 -0.781 10.538 -10.584 1.00 0.00 C ATOM 264 C GLY A 17 -1.028 9.836 -9.248 1.00 0.00 C ATOM 265 O GLY A 17 -2.174 9.667 -8.833 1.00 0.00 O ATOM 0 H GLY A 17 0.401 12.093 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.639 11.162 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.684 9.796 -11.376 1.00 0.00 H new ATOM 269 N LYS A 18 0.066 9.444 -8.611 1.00 0.00 N ATOM 270 CA LYS A 18 -0.017 8.764 -7.329 1.00 0.00 C ATOM 271 C LYS A 18 0.890 9.472 -6.321 1.00 0.00 C ATOM 272 O LYS A 18 2.112 9.436 -6.448 1.00 0.00 O ATOM 273 CB LYS A 18 0.292 7.275 -7.493 1.00 0.00 C ATOM 274 CG LYS A 18 -0.565 6.655 -8.600 1.00 0.00 C ATOM 275 CD LYS A 18 0.270 5.728 -9.486 1.00 0.00 C ATOM 276 CE LYS A 18 -0.607 5.023 -10.522 1.00 0.00 C ATOM 277 NZ LYS A 18 0.231 4.302 -11.507 1.00 0.00 N ATOM 0 H LYS A 18 1.015 9.584 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.032 8.815 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.348 7.143 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.108 6.756 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.389 6.095 -8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.007 7.444 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.045 6.304 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.776 4.987 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.277 4.322 -10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.233 5.753 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.380 3.829 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.852 4.978 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.810 3.592 -11.016 1.00 0.00 H new ATOM 291 N ASN A 19 0.255 10.099 -5.341 1.00 0.00 N ATOM 292 CA ASN A 19 0.990 10.815 -4.312 1.00 0.00 C ATOM 293 C ASN A 19 0.779 10.120 -2.965 1.00 0.00 C ATOM 294 O ASN A 19 1.591 10.266 -2.054 1.00 0.00 O ATOM 295 CB ASN A 19 0.493 12.256 -4.183 1.00 0.00 C ATOM 296 CG ASN A 19 1.571 13.154 -3.572 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.671 12.726 -3.263 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.195 14.420 -3.415 1.00 0.00 N ATOM 0 H ASN A 19 -0.759 10.126 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 19 2.044 10.820 -4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.211 12.637 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.402 12.282 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.843 15.099 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.259 14.712 -3.695 1.00 0.00 H new ATOM 305 N LEU A 20 -0.317 9.378 -2.883 1.00 0.00 N ATOM 306 CA LEU A 20 -0.644 8.661 -1.663 1.00 0.00 C ATOM 307 C LEU A 20 -0.127 7.224 -1.766 1.00 0.00 C ATOM 308 O LEU A 20 0.048 6.702 -2.867 1.00 0.00 O ATOM 309 CB LEU A 20 -2.144 8.755 -1.372 1.00 0.00 C ATOM 310 CG LEU A 20 -2.696 10.163 -1.145 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.156 10.259 -1.592 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.512 10.596 0.310 1.00 0.00 C ATOM 0 H LEU A 20 -0.989 9.259 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.147 9.119 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.684 8.304 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.361 8.154 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.125 10.857 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.524 11.271 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.228 10.023 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.758 9.552 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.913 11.601 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.041 9.904 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.451 10.593 0.559 1.00 0.00 H new ATOM 324 N CYS A 21 0.103 6.626 -0.608 1.00 0.00 N ATOM 325 CA CYS A 21 0.596 5.261 -0.553 1.00 0.00 C ATOM 326 C CYS A 21 -0.459 4.395 0.139 1.00 0.00 C ATOM 327 O CYS A 21 -1.169 4.867 1.025 1.00 0.00 O ATOM 328 CB CYS A 21 1.953 5.177 0.148 1.00 0.00 C ATOM 329 SG CYS A 21 3.106 6.543 -0.245 1.00 0.00 S ATOM 0 H CYS A 21 -0.043 7.063 0.302 1.00 0.00 H new ATOM 0 HA CYS A 21 0.760 4.891 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.789 5.157 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.426 4.232 -0.120 1.00 0.00 H new ATOM 334 N TYR A 22 -0.526 3.145 -0.292 1.00 0.00 N ATOM 335 CA TYR A 22 -1.483 2.208 0.275 1.00 0.00 C ATOM 336 C TYR A 22 -0.887 0.802 0.361 1.00 0.00 C ATOM 337 O TYR A 22 0.073 0.486 -0.340 1.00 0.00 O ATOM 338 CB TYR A 22 -2.673 2.189 -0.685 1.00 0.00 C ATOM 339 CG TYR A 22 -2.420 1.407 -1.975 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.394 0.027 -1.951 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.218 2.081 -3.162 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.155 -0.709 -3.166 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.979 1.345 -4.377 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.960 -0.014 -4.318 1.00 0.00 C ATOM 345 OH TYR A 22 -1.734 -0.709 -5.466 1.00 0.00 O ATOM 0 H TYR A 22 0.066 2.758 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.766 2.510 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.533 1.757 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.937 3.215 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.553 -0.500 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.239 3.161 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.131 -1.789 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.819 1.860 -5.313 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.613 -0.082 -6.210 1.00 0.00 H new ATOM 355 N LYS A 23 -1.484 -0.007 1.224 1.00 0.00 N ATOM 356 CA LYS A 23 -1.026 -1.373 1.411 1.00 0.00 C ATOM 357 C LYS A 23 -2.226 -2.274 1.709 1.00 0.00 C ATOM 358 O LYS A 23 -2.868 -2.133 2.749 1.00 0.00 O ATOM 359 CB LYS A 23 0.067 -1.431 2.479 1.00 0.00 C ATOM 360 CG LYS A 23 -0.408 -0.789 3.785 1.00 0.00 C ATOM 361 CD LYS A 23 0.263 0.568 4.004 1.00 0.00 C ATOM 362 CE LYS A 23 1.006 0.603 5.341 1.00 0.00 C ATOM 363 NZ LYS A 23 0.051 0.508 6.467 1.00 0.00 N ATOM 0 H LYS A 23 -2.282 0.258 1.802 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.566 -1.748 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.348 -2.468 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.959 -0.917 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.490 -0.664 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.183 -1.450 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.961 0.768 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.488 1.357 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.718 -0.221 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.580 1.526 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.522 0.801 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.762 1.130 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.279 -0.474 6.561 1.00 0.00 H new ATOM 377 N MET A 24 -2.493 -3.178 0.779 1.00 0.00 N ATOM 378 CA MET A 24 -3.605 -4.101 0.929 1.00 0.00 C ATOM 379 C MET A 24 -3.166 -5.374 1.656 1.00 0.00 C ATOM 380 O MET A 24 -2.141 -5.964 1.319 1.00 0.00 O ATOM 381 CB MET A 24 -4.157 -4.465 -0.451 1.00 0.00 C ATOM 382 CG MET A 24 -5.181 -3.430 -0.921 1.00 0.00 C ATOM 383 SD MET A 24 -4.422 -2.304 -2.080 1.00 0.00 S ATOM 384 CE MET A 24 -5.358 -2.694 -3.549 1.00 0.00 C ATOM 0 H MET A 24 -1.958 -3.291 -0.082 1.00 0.00 H new ATOM 0 HA MET A 24 -4.379 -3.615 1.522 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.340 -4.526 -1.169 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.621 -5.450 -0.413 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.028 -3.931 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.571 -2.877 -0.066 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.674 -2.946 -4.360 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.012 -3.542 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.960 -1.832 -3.837 1.00 0.00 H new ATOM 394 N PHE A 25 -3.965 -5.761 2.639 1.00 0.00 N ATOM 395 CA PHE A 25 -3.672 -6.954 3.416 1.00 0.00 C ATOM 396 C PHE A 25 -4.747 -8.023 3.205 1.00 0.00 C ATOM 397 O PHE A 25 -5.919 -7.798 3.504 1.00 0.00 O ATOM 398 CB PHE A 25 -3.667 -6.537 4.889 1.00 0.00 C ATOM 399 CG PHE A 25 -2.624 -5.471 5.230 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.841 -4.173 4.890 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.477 -5.822 5.873 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.873 -3.184 5.207 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.509 -4.834 6.190 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.728 -3.535 5.850 1.00 0.00 C ATOM 0 H PHE A 25 -4.815 -5.270 2.916 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.714 -7.374 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.655 -6.161 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.486 -7.418 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.750 -3.894 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.303 -6.853 6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.046 -2.153 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.401 -5.113 6.701 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.008 -2.782 6.091 1.00 0.00 H new ATOM 414 N MET A 26 -4.308 -9.162 2.692 1.00 0.00 N ATOM 415 CA MET A 26 -5.217 -10.267 2.438 1.00 0.00 C ATOM 416 C MET A 26 -5.425 -11.107 3.699 1.00 0.00 C ATOM 417 O MET A 26 -4.563 -11.142 4.575 1.00 0.00 O ATOM 418 CB MET A 26 -4.649 -11.150 1.325 1.00 0.00 C ATOM 419 CG MET A 26 -5.753 -11.600 0.364 1.00 0.00 C ATOM 420 SD MET A 26 -5.943 -13.372 0.441 1.00 0.00 S ATOM 421 CE MET A 26 -4.714 -13.869 -0.754 1.00 0.00 C ATOM 0 H MET A 26 -3.335 -9.344 2.445 1.00 0.00 H new ATOM 0 HA MET A 26 -6.180 -9.857 2.134 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.885 -10.601 0.775 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.163 -12.023 1.761 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.693 -11.113 0.624 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.507 -11.296 -0.653 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.700 -14.956 -0.831 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.957 -13.440 -1.726 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.733 -13.515 -0.436 1.00 0.00 H new ATOM 431 N MET A 27 -6.576 -11.763 3.751 1.00 0.00 N ATOM 432 CA MET A 27 -6.909 -12.601 4.891 1.00 0.00 C ATOM 433 C MET A 27 -6.961 -11.778 6.179 1.00 0.00 C ATOM 434 O MET A 27 -8.039 -11.524 6.715 1.00 0.00 O ATOM 435 CB MET A 27 -5.862 -13.708 5.034 1.00 0.00 C ATOM 436 CG MET A 27 -5.805 -14.575 3.774 1.00 0.00 C ATOM 437 SD MET A 27 -6.344 -16.234 4.151 1.00 0.00 S ATOM 438 CE MET A 27 -5.058 -17.170 3.338 1.00 0.00 C ATOM 0 H MET A 27 -7.289 -11.731 3.022 1.00 0.00 H new ATOM 0 HA MET A 27 -7.893 -13.039 4.722 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.883 -13.266 5.220 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.100 -14.330 5.897 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.438 -14.145 2.998 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.788 -14.594 3.381 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.241 -18.236 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 27 -5.056 -16.936 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.091 -16.910 3.769 1.00 0.00 H new ATOM 448 N SER A 28 -5.783 -11.383 6.640 1.00 0.00 N ATOM 449 CA SER A 28 -5.681 -10.594 7.856 1.00 0.00 C ATOM 450 C SER A 28 -4.586 -9.537 7.703 1.00 0.00 C ATOM 451 O SER A 28 -3.654 -9.712 6.919 1.00 0.00 O ATOM 452 CB SER A 28 -5.395 -11.484 9.067 1.00 0.00 C ATOM 453 OG SER A 28 -6.551 -12.205 9.484 1.00 0.00 O ATOM 0 H SER A 28 -4.891 -11.595 6.193 1.00 0.00 H new ATOM 0 HA SER A 28 -6.636 -10.096 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.599 -12.186 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.034 -10.869 9.892 1.00 0.00 H new ATOM 0 HG SER A 28 -6.327 -12.763 10.258 1.00 0.00 H new ATOM 459 N ASP A 29 -4.733 -8.464 8.466 1.00 0.00 N ATOM 460 CA ASP A 29 -3.768 -7.379 8.426 1.00 0.00 C ATOM 461 C ASP A 29 -2.833 -7.488 9.632 1.00 0.00 C ATOM 462 O ASP A 29 -1.720 -6.964 9.608 1.00 0.00 O ATOM 463 CB ASP A 29 -4.465 -6.018 8.489 1.00 0.00 C ATOM 464 CG ASP A 29 -5.873 -6.040 9.086 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.801 -6.415 8.338 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.990 -5.683 10.279 1.00 0.00 O ATOM 0 H ASP A 29 -5.506 -8.323 9.116 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.213 -7.457 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.848 -5.338 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.521 -5.608 7.481 1.00 0.00 H new ATOM 471 N LEU A 30 -3.320 -8.171 10.657 1.00 0.00 N ATOM 472 CA LEU A 30 -2.542 -8.355 11.871 1.00 0.00 C ATOM 473 C LEU A 30 -1.114 -8.761 11.499 1.00 0.00 C ATOM 474 O LEU A 30 -0.179 -8.521 12.261 1.00 0.00 O ATOM 475 CB LEU A 30 -3.238 -9.344 12.808 1.00 0.00 C ATOM 476 CG LEU A 30 -4.648 -8.960 13.261 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.487 -10.204 13.557 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.600 -8.003 14.455 1.00 0.00 C ATOM 0 H LEU A 30 -4.243 -8.604 10.672 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.474 -7.419 12.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.289 -10.312 12.309 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.616 -9.474 13.694 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.136 -8.430 12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.484 -9.902 13.877 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.564 -10.814 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.012 -10.783 14.349 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.616 -7.746 14.757 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.085 -8.484 15.287 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.065 -7.096 14.173 1.00 0.00 H new ATOM 490 N THR A 31 -0.992 -9.369 10.329 1.00 0.00 N ATOM 491 CA THR A 31 0.306 -9.811 9.846 1.00 0.00 C ATOM 492 C THR A 31 0.799 -8.894 8.726 1.00 0.00 C ATOM 493 O THR A 31 0.157 -7.893 8.411 1.00 0.00 O ATOM 494 CB THR A 31 0.179 -11.275 9.422 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.737 -11.242 8.331 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.526 -12.132 10.475 1.00 0.00 C ATOM 0 H THR A 31 -1.771 -9.566 9.700 1.00 0.00 H new ATOM 0 HA THR A 31 1.062 -9.749 10.629 1.00 0.00 H new ATOM 0 HB THR A 31 1.171 -11.683 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.876 -12.151 7.993 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.589 -13.162 10.123 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.039 -12.101 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.530 -11.745 10.646 1.00 0.00 H new ATOM 504 N ILE A 32 1.935 -9.267 8.157 1.00 0.00 N ATOM 505 CA ILE A 32 2.522 -8.490 7.079 1.00 0.00 C ATOM 506 C ILE A 32 1.631 -8.591 5.839 1.00 0.00 C ATOM 507 O ILE A 32 1.011 -9.625 5.599 1.00 0.00 O ATOM 508 CB ILE A 32 3.969 -8.923 6.832 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.952 -7.884 7.374 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.208 -9.219 5.350 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.294 -8.164 8.839 1.00 0.00 C ATOM 0 H ILE A 32 2.465 -10.097 8.422 1.00 0.00 H new ATOM 0 HA ILE A 32 2.571 -7.436 7.353 1.00 0.00 H new ATOM 0 HB ILE A 32 4.146 -9.850 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.863 -7.894 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.521 -6.887 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.244 -9.524 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.544 -10.021 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.007 -8.323 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.994 -7.411 9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.384 -8.130 9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.747 -9.152 8.924 1.00 0.00 H new ATOM 523 N PRO A 33 1.595 -7.502 5.085 1.00 0.00 N ATOM 524 CA PRO A 33 0.660 -7.401 3.918 1.00 0.00 C ATOM 525 C PRO A 33 0.840 -8.350 2.683 1.00 0.00 C ATOM 526 O PRO A 33 1.589 -9.324 2.747 1.00 0.00 O ATOM 527 CB PRO A 33 0.766 -5.907 3.538 1.00 0.00 C ATOM 528 CG PRO A 33 2.154 -5.456 3.996 1.00 0.00 C ATOM 529 CD PRO A 33 2.423 -6.279 5.253 1.00 0.00 C ATOM 0 HA PRO A 33 -0.322 -7.759 4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.645 -5.768 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.015 -5.323 4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.906 -5.643 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.175 -4.387 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.481 -6.526 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.143 -5.731 6.153 1.00 0.00 H new ATOM 537 N VAL A 34 0.137 -8.014 1.612 1.00 0.00 N ATOM 538 CA VAL A 34 0.205 -8.802 0.393 1.00 0.00 C ATOM 539 C VAL A 34 0.692 -7.917 -0.756 1.00 0.00 C ATOM 540 O VAL A 34 1.545 -8.328 -1.542 1.00 0.00 O ATOM 541 CB VAL A 34 -1.152 -9.452 0.113 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.370 -10.673 1.010 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.288 -8.440 0.278 1.00 0.00 C ATOM 0 H VAL A 34 -0.483 -7.206 1.563 1.00 0.00 H new ATOM 0 HA VAL A 34 0.923 -9.615 0.504 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.154 -9.792 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.341 -11.116 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.586 -11.407 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.338 -10.367 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.242 -8.927 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.288 -8.056 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.145 -7.615 -0.420 1.00 0.00 H new ATOM 553 N LYS A 35 0.131 -6.718 -0.815 1.00 0.00 N ATOM 554 CA LYS A 35 0.497 -5.772 -1.855 1.00 0.00 C ATOM 555 C LYS A 35 0.408 -4.350 -1.299 1.00 0.00 C ATOM 556 O LYS A 35 -0.344 -4.093 -0.360 1.00 0.00 O ATOM 557 CB LYS A 35 -0.352 -5.996 -3.108 1.00 0.00 C ATOM 558 CG LYS A 35 -0.003 -4.979 -4.197 1.00 0.00 C ATOM 559 CD LYS A 35 1.375 -5.267 -4.795 1.00 0.00 C ATOM 560 CE LYS A 35 1.261 -6.172 -6.024 1.00 0.00 C ATOM 561 NZ LYS A 35 1.435 -5.384 -7.265 1.00 0.00 N ATOM 0 H LYS A 35 -0.574 -6.380 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 35 1.530 -5.930 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.192 -7.006 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.409 -5.914 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.758 -5.009 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.019 -3.973 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.858 -4.330 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.008 -5.743 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.015 -6.957 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.288 -6.664 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.355 -6.013 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.700 -4.650 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.373 -4.935 -7.262 1.00 0.00 H new ATOM 575 N ARG A 36 1.187 -3.463 -1.900 1.00 0.00 N ATOM 576 CA ARG A 36 1.206 -2.073 -1.477 1.00 0.00 C ATOM 577 C ARG A 36 1.898 -1.206 -2.530 1.00 0.00 C ATOM 578 O ARG A 36 2.990 -1.536 -2.991 1.00 0.00 O ATOM 579 CB ARG A 36 1.931 -1.915 -0.139 1.00 0.00 C ATOM 580 CG ARG A 36 3.424 -2.217 -0.285 1.00 0.00 C ATOM 581 CD ARG A 36 3.974 -2.888 0.975 1.00 0.00 C ATOM 582 NE ARG A 36 3.883 -4.359 0.845 1.00 0.00 N ATOM 583 CZ ARG A 36 4.591 -5.224 1.584 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.448 -4.770 2.510 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.445 -6.542 1.397 1.00 0.00 N ATOM 0 H ARG A 36 1.810 -3.680 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 36 0.172 -1.749 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.797 -0.900 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.491 -2.586 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.585 -2.865 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.969 -1.292 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.011 -2.592 1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.413 -2.556 1.848 1.00 0.00 H new ATOM 0 HE ARG A 36 3.241 -4.739 0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.561 -3.766 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.987 -5.428 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.795 -6.888 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.984 -7.200 1.960 1.00 0.00 H new ATOM 599 N GLY A 37 1.236 -0.113 -2.879 1.00 0.00 N ATOM 600 CA GLY A 37 1.774 0.804 -3.869 1.00 0.00 C ATOM 601 C GLY A 37 1.301 2.235 -3.605 1.00 0.00 C ATOM 602 O GLY A 37 0.964 2.584 -2.475 1.00 0.00 O ATOM 0 H GLY A 37 0.331 0.158 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.863 0.768 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.462 0.492 -4.866 1.00 0.00 H new ATOM 606 N CYS A 38 1.290 3.026 -4.669 1.00 0.00 N ATOM 607 CA CYS A 38 0.865 4.412 -4.566 1.00 0.00 C ATOM 608 C CYS A 38 -0.499 4.545 -5.246 1.00 0.00 C ATOM 609 O CYS A 38 -0.876 3.706 -6.062 1.00 0.00 O ATOM 610 CB CYS A 38 1.898 5.367 -5.167 1.00 0.00 C ATOM 611 SG CYS A 38 3.630 5.028 -4.683 1.00 0.00 S ATOM 0 H CYS A 38 1.568 2.733 -5.606 1.00 0.00 H new ATOM 0 HA CYS A 38 0.777 4.692 -3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.824 5.323 -6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.646 6.385 -4.872 1.00 0.00 H new ATOM 616 N ILE A 39 -1.204 5.609 -4.884 1.00 0.00 N ATOM 617 CA ILE A 39 -2.517 5.864 -5.449 1.00 0.00 C ATOM 618 C ILE A 39 -2.876 7.338 -5.250 1.00 0.00 C ATOM 619 O ILE A 39 -2.111 8.090 -4.649 1.00 0.00 O ATOM 620 CB ILE A 39 -3.548 4.895 -4.866 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.776 4.790 -5.772 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.925 5.291 -3.436 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.347 3.370 -5.759 1.00 0.00 C ATOM 0 H ILE A 39 -0.889 6.303 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.512 5.680 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.096 3.904 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.538 5.495 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.506 5.068 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.659 4.586 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.035 5.274 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.350 6.295 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.219 3.323 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.590 2.670 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.639 3.104 -4.743 1.00 0.00 H new ATOM 635 N ASP A 40 -4.040 7.706 -5.765 1.00 0.00 N ATOM 636 CA ASP A 40 -4.509 9.076 -5.651 1.00 0.00 C ATOM 637 C ASP A 40 -5.762 9.110 -4.773 1.00 0.00 C ATOM 638 O ASP A 40 -5.965 10.056 -4.015 1.00 0.00 O ATOM 639 CB ASP A 40 -4.877 9.648 -7.022 1.00 0.00 C ATOM 640 CG ASP A 40 -5.704 10.934 -6.985 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.551 11.680 -5.994 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.471 11.145 -7.950 1.00 0.00 O ATOM 0 H ASP A 40 -4.672 7.079 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.707 9.672 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.959 9.840 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.433 8.892 -7.577 1.00 0.00 H new ATOM 647 N VAL A 41 -6.567 8.066 -4.905 1.00 0.00 N ATOM 648 CA VAL A 41 -7.793 7.965 -4.133 1.00 0.00 C ATOM 649 C VAL A 41 -7.946 6.536 -3.609 1.00 0.00 C ATOM 650 O VAL A 41 -7.861 5.578 -4.376 1.00 0.00 O ATOM 651 CB VAL A 41 -8.984 8.422 -4.979 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.307 8.111 -4.277 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.878 9.911 -5.316 1.00 0.00 C ATOM 0 H VAL A 41 -6.394 7.283 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.753 8.626 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.963 7.865 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.137 8.446 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.388 7.037 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.341 8.629 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.736 10.210 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.861 10.492 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.961 10.093 -5.877 1.00 0.00 H new ATOM 663 N CYS A 42 -8.166 6.437 -2.306 1.00 0.00 N ATOM 664 CA CYS A 42 -8.331 5.141 -1.672 1.00 0.00 C ATOM 665 C CYS A 42 -9.594 4.487 -2.235 1.00 0.00 C ATOM 666 O CYS A 42 -10.691 5.024 -2.093 1.00 0.00 O ATOM 667 CB CYS A 42 -8.380 5.259 -0.147 1.00 0.00 C ATOM 668 SG CYS A 42 -7.982 3.719 0.756 1.00 0.00 S ATOM 0 H CYS A 42 -8.234 7.234 -1.673 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.469 4.513 -1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.683 6.037 0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.377 5.588 0.146 1.00 0.00 H new ATOM 673 N PRO A 43 -9.397 3.336 -2.862 1.00 0.00 N ATOM 674 CA PRO A 43 -10.541 2.418 -3.167 1.00 0.00 C ATOM 675 C PRO A 43 -11.375 1.786 -2.001 1.00 0.00 C ATOM 676 O PRO A 43 -11.016 1.920 -0.832 1.00 0.00 O ATOM 677 CB PRO A 43 -9.877 1.352 -4.068 1.00 0.00 C ATOM 678 CG PRO A 43 -8.542 1.952 -4.514 1.00 0.00 C ATOM 679 CD PRO A 43 -8.107 2.820 -3.334 1.00 0.00 C ATOM 0 HA PRO A 43 -11.346 3.003 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.724 0.421 -3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.507 1.119 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.808 1.175 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.655 2.543 -5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.591 2.242 -2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.432 3.619 -3.639 1.00 0.00 H new ATOM 687 N LYS A 44 -12.456 1.122 -2.382 1.00 0.00 N ATOM 688 CA LYS A 44 -13.325 0.484 -1.408 1.00 0.00 C ATOM 689 C LYS A 44 -12.655 -0.792 -0.892 1.00 0.00 C ATOM 690 O LYS A 44 -12.259 -1.651 -1.679 1.00 0.00 O ATOM 691 CB LYS A 44 -14.716 0.251 -2.000 1.00 0.00 C ATOM 692 CG LYS A 44 -15.265 1.532 -2.632 1.00 0.00 C ATOM 693 CD LYS A 44 -16.296 1.211 -3.715 1.00 0.00 C ATOM 694 CE LYS A 44 -15.612 0.892 -5.046 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.613 0.776 -6.129 1.00 0.00 N ATOM 0 H LYS A 44 -12.750 1.012 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.476 1.137 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.668 -0.538 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.394 -0.093 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.722 2.154 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.447 2.108 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.905 0.363 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.971 2.058 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.894 1.675 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.052 -0.039 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.132 0.559 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.283 0.013 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.130 1.674 -6.222 1.00 0.00 H new ATOM 709 N ASN A 45 -12.548 -0.875 0.425 1.00 0.00 N ATOM 710 CA ASN A 45 -11.933 -2.031 1.055 1.00 0.00 C ATOM 711 C ASN A 45 -12.905 -3.211 1.005 1.00 0.00 C ATOM 712 O ASN A 45 -14.093 -3.032 0.739 1.00 0.00 O ATOM 713 CB ASN A 45 -11.606 -1.750 2.523 1.00 0.00 C ATOM 714 CG ASN A 45 -11.000 -2.984 3.196 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.311 -3.781 2.583 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.295 -3.094 4.488 1.00 0.00 N ATOM 0 H ASN A 45 -12.877 -0.160 1.074 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.012 -2.257 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.908 -0.915 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.512 -1.452 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.938 -3.883 5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.878 -2.390 4.940 1.00 0.00 H new ATOM 723 N SER A 46 -12.365 -4.393 1.264 1.00 0.00 N ATOM 724 CA SER A 46 -13.169 -5.603 1.250 1.00 0.00 C ATOM 725 C SER A 46 -13.100 -6.292 2.614 1.00 0.00 C ATOM 726 O SER A 46 -12.403 -5.826 3.515 1.00 0.00 O ATOM 727 CB SER A 46 -12.707 -6.560 0.149 1.00 0.00 C ATOM 728 OG SER A 46 -11.447 -7.153 0.450 1.00 0.00 O ATOM 0 H SER A 46 -11.380 -4.538 1.485 1.00 0.00 H new ATOM 0 HA SER A 46 -14.202 -5.324 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.453 -7.343 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.637 -6.020 -0.795 1.00 0.00 H new ATOM 0 HG SER A 46 -11.488 -8.116 0.274 1.00 0.00 H new ATOM 734 N LEU A 47 -13.833 -7.390 2.725 1.00 0.00 N ATOM 735 CA LEU A 47 -13.863 -8.148 3.965 1.00 0.00 C ATOM 736 C LEU A 47 -12.778 -9.226 3.926 1.00 0.00 C ATOM 737 O LEU A 47 -12.421 -9.789 4.959 1.00 0.00 O ATOM 738 CB LEU A 47 -15.267 -8.698 4.221 1.00 0.00 C ATOM 739 CG LEU A 47 -15.337 -10.070 4.895 1.00 0.00 C ATOM 740 CD1 LEU A 47 -15.082 -9.956 6.399 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.667 -10.763 4.591 1.00 0.00 C ATOM 0 H LEU A 47 -14.411 -7.773 1.977 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.639 -7.501 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.809 -7.983 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.792 -8.756 3.268 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.546 -10.694 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.138 -10.945 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.092 -9.534 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.835 -9.308 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.691 -11.736 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.489 -10.150 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.770 -10.897 3.514 1.00 0.00 H new ATOM 753 N LEU A 48 -12.284 -9.480 2.722 1.00 0.00 N ATOM 754 CA LEU A 48 -11.247 -10.480 2.536 1.00 0.00 C ATOM 755 C LEU A 48 -9.877 -9.799 2.566 1.00 0.00 C ATOM 756 O LEU A 48 -8.870 -10.435 2.873 1.00 0.00 O ATOM 757 CB LEU A 48 -11.504 -11.288 1.262 1.00 0.00 C ATOM 758 CG LEU A 48 -12.262 -12.603 1.444 1.00 0.00 C ATOM 759 CD1 LEU A 48 -11.438 -13.602 2.260 1.00 0.00 C ATOM 760 CD2 LEU A 48 -13.642 -12.361 2.060 1.00 0.00 C ATOM 0 H LEU A 48 -12.583 -9.011 1.867 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.263 -11.202 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.063 -10.663 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.544 -11.507 0.794 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.422 -13.044 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.000 -14.529 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.500 -13.808 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.226 -13.182 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.160 -13.313 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.527 -11.887 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.223 -11.711 1.406 1.00 0.00 H new ATOM 772 N VAL A 49 -9.883 -8.514 2.241 1.00 0.00 N ATOM 773 CA VAL A 49 -8.653 -7.741 2.227 1.00 0.00 C ATOM 774 C VAL A 49 -8.858 -6.450 3.023 1.00 0.00 C ATOM 775 O VAL A 49 -9.991 -6.072 3.319 1.00 0.00 O ATOM 776 CB VAL A 49 -8.209 -7.489 0.784 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.828 -6.832 0.742 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.226 -8.785 -0.028 1.00 0.00 C ATOM 0 H VAL A 49 -10.720 -7.990 1.986 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.848 -8.296 2.709 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.921 -6.800 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.536 -6.664 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.863 -5.878 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.100 -7.485 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.907 -8.579 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.547 -9.507 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.236 -9.194 -0.039 1.00 0.00 H new ATOM 788 N LYS A 50 -7.745 -5.809 3.347 1.00 0.00 N ATOM 789 CA LYS A 50 -7.789 -4.569 4.102 1.00 0.00 C ATOM 790 C LYS A 50 -6.986 -3.497 3.362 1.00 0.00 C ATOM 791 O LYS A 50 -5.775 -3.628 3.196 1.00 0.00 O ATOM 792 CB LYS A 50 -7.323 -4.801 5.541 1.00 0.00 C ATOM 793 CG LYS A 50 -7.594 -3.571 6.410 1.00 0.00 C ATOM 794 CD LYS A 50 -8.719 -3.844 7.410 1.00 0.00 C ATOM 795 CE LYS A 50 -9.291 -2.536 7.962 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.575 -2.784 8.655 1.00 0.00 N ATOM 0 H LYS A 50 -6.807 -6.125 3.100 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.814 -4.206 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.838 -5.666 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.257 -5.029 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.686 -3.292 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.863 -2.726 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.511 -4.415 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.341 -4.455 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.579 -2.084 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.441 -1.826 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.950 -1.887 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.257 -3.195 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.422 -3.445 9.443 1.00 0.00 H new ATOM 810 N TYR A 51 -7.694 -2.461 2.937 1.00 0.00 N ATOM 811 CA TYR A 51 -7.063 -1.366 2.219 1.00 0.00 C ATOM 812 C TYR A 51 -6.623 -0.261 3.180 1.00 0.00 C ATOM 813 O TYR A 51 -7.439 0.548 3.617 1.00 0.00 O ATOM 814 CB TYR A 51 -8.130 -0.811 1.275 1.00 0.00 C ATOM 815 CG TYR A 51 -8.215 -1.540 -0.068 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.343 -2.914 -0.100 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.163 -0.823 -1.246 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.422 -3.600 -1.363 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.242 -1.510 -2.509 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.368 -2.864 -2.506 1.00 0.00 C ATOM 821 OH TYR A 51 -8.443 -3.513 -3.699 1.00 0.00 O ATOM 0 H TYR A 51 -8.699 -2.356 3.076 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.177 -1.715 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.100 -0.866 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.925 0.244 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.384 -3.474 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.063 0.252 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.522 -4.675 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.202 -0.962 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.393 -2.862 -4.429 1.00 0.00 H new ATOM 831 N VAL A 52 -5.333 -0.261 3.482 1.00 0.00 N ATOM 832 CA VAL A 52 -4.774 0.732 4.384 1.00 0.00 C ATOM 833 C VAL A 52 -4.047 1.803 3.568 1.00 0.00 C ATOM 834 O VAL A 52 -2.911 1.598 3.142 1.00 0.00 O ATOM 835 CB VAL A 52 -3.874 0.052 5.418 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.751 0.905 6.682 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.384 -1.350 5.751 1.00 0.00 C ATOM 0 H VAL A 52 -4.658 -0.934 3.118 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.566 1.231 4.942 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.880 -0.048 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.106 0.399 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.321 1.873 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.738 1.051 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.726 -1.811 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.393 -1.283 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.396 -1.957 4.846 1.00 0.00 H new ATOM 847 N CYS A 53 -4.730 2.921 3.377 1.00 0.00 N ATOM 848 CA CYS A 53 -4.162 4.024 2.619 1.00 0.00 C ATOM 849 C CYS A 53 -3.512 4.997 3.604 1.00 0.00 C ATOM 850 O CYS A 53 -3.922 5.083 4.761 1.00 0.00 O ATOM 851 CB CYS A 53 -5.214 4.713 1.747 1.00 0.00 C ATOM 852 SG CYS A 53 -5.907 3.669 0.413 1.00 0.00 S ATOM 0 H CYS A 53 -5.671 3.088 3.733 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.407 3.645 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.030 5.051 2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.769 5.602 1.300 1.00 0.00 H new ATOM 857 N CYS A 54 -2.508 5.707 3.110 1.00 0.00 N ATOM 858 CA CYS A 54 -1.796 6.671 3.932 1.00 0.00 C ATOM 859 C CYS A 54 -1.190 7.732 3.012 1.00 0.00 C ATOM 860 O CYS A 54 -1.184 7.572 1.791 1.00 0.00 O ATOM 861 CB CYS A 54 -0.734 5.997 4.803 1.00 0.00 C ATOM 862 SG CYS A 54 -0.182 4.358 4.209 1.00 0.00 S ATOM 0 H CYS A 54 -2.171 5.634 2.150 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.491 7.146 4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.133 6.655 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.129 5.888 5.813 1.00 0.00 H new ATOM 867 N ASN A 55 -0.694 8.794 3.631 1.00 0.00 N ATOM 868 CA ASN A 55 -0.087 9.882 2.882 1.00 0.00 C ATOM 869 C ASN A 55 1.246 10.258 3.530 1.00 0.00 C ATOM 870 O ASN A 55 1.730 11.377 3.361 1.00 0.00 O ATOM 871 CB ASN A 55 -0.984 11.122 2.888 1.00 0.00 C ATOM 872 CG ASN A 55 -0.945 11.819 4.250 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.291 12.831 4.440 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.680 11.222 5.184 1.00 0.00 N ATOM 0 H ASN A 55 -0.700 8.924 4.643 1.00 0.00 H new ATOM 0 HA ASN A 55 0.057 9.547 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.659 11.814 2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.009 10.835 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.720 11.610 6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.204 10.377 4.958 1.00 0.00 H new ATOM 881 N THR A 56 1.805 9.303 4.258 1.00 0.00 N ATOM 882 CA THR A 56 3.073 9.519 4.933 1.00 0.00 C ATOM 883 C THR A 56 4.200 8.795 4.195 1.00 0.00 C ATOM 884 O THR A 56 4.034 7.654 3.767 1.00 0.00 O ATOM 885 CB THR A 56 2.917 9.077 6.389 1.00 0.00 C ATOM 886 OG1 THR A 56 2.225 7.834 6.302 1.00 0.00 O ATOM 887 CG2 THR A 56 1.964 9.979 7.176 1.00 0.00 C ATOM 0 H THR A 56 1.402 8.376 4.395 1.00 0.00 H new ATOM 0 HA THR A 56 3.348 10.574 4.928 1.00 0.00 H new ATOM 0 HB THR A 56 3.894 9.071 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.083 7.475 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.889 9.621 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.345 11.000 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.978 9.959 6.712 1.00 0.00 H new ATOM 895 N ASP A 57 5.323 9.487 4.069 1.00 0.00 N ATOM 896 CA ASP A 57 6.477 8.924 3.391 1.00 0.00 C ATOM 897 C ASP A 57 6.954 7.684 4.148 1.00 0.00 C ATOM 898 O ASP A 57 7.327 7.772 5.317 1.00 0.00 O ATOM 899 CB ASP A 57 7.634 9.924 3.346 1.00 0.00 C ATOM 900 CG ASP A 57 7.250 11.338 2.903 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.903 11.483 1.711 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.312 12.240 3.766 1.00 0.00 O ATOM 0 H ASP A 57 5.458 10.433 4.425 1.00 0.00 H new ATOM 0 HA ASP A 57 6.179 8.673 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.085 9.980 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.398 9.542 2.669 1.00 0.00 H new ATOM 907 N ARG A 58 6.926 6.556 3.453 1.00 0.00 N ATOM 908 CA ARG A 58 7.350 5.299 4.045 1.00 0.00 C ATOM 909 C ARG A 58 6.287 4.786 5.018 1.00 0.00 C ATOM 910 O ARG A 58 6.615 4.222 6.061 1.00 0.00 O ATOM 911 CB ARG A 58 8.677 5.463 4.790 1.00 0.00 C ATOM 912 CG ARG A 58 9.603 6.434 4.056 1.00 0.00 C ATOM 913 CD ARG A 58 11.062 6.211 4.459 1.00 0.00 C ATOM 914 NE ARG A 58 11.457 7.195 5.493 1.00 0.00 N ATOM 915 CZ ARG A 58 11.637 8.501 5.256 1.00 0.00 C ATOM 916 NH1 ARG A 58 11.459 8.990 4.021 1.00 0.00 N ATOM 917 NH2 ARG A 58 11.995 9.319 6.255 1.00 0.00 N ATOM 0 H ARG A 58 6.616 6.487 2.484 1.00 0.00 H new ATOM 0 HA ARG A 58 7.485 4.580 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.488 5.828 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.165 4.493 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.495 6.302 2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.312 7.460 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.192 5.198 4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.708 6.308 3.587 1.00 0.00 H new ATOM 0 HE ARG A 58 11.601 6.857 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.186 8.368 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.596 9.985 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.130 8.947 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.132 10.314 6.075 1.00 0.00 H new ATOM 931 N CYS A 59 5.035 4.997 4.641 1.00 0.00 N ATOM 932 CA CYS A 59 3.921 4.562 5.466 1.00 0.00 C ATOM 933 C CYS A 59 3.769 3.048 5.308 1.00 0.00 C ATOM 934 O CYS A 59 3.431 2.351 6.264 1.00 0.00 O ATOM 935 CB CYS A 59 2.631 5.305 5.112 1.00 0.00 C ATOM 936 SG CYS A 59 1.722 4.625 3.677 1.00 0.00 S ATOM 0 H CYS A 59 4.767 5.464 3.775 1.00 0.00 H new ATOM 0 HA CYS A 59 4.124 4.799 6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.972 5.294 5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.873 6.348 4.909 1.00 0.00 H new ATOM 941 N ASN A 60 4.024 2.584 4.094 1.00 0.00 N ATOM 942 CA ASN A 60 3.920 1.164 3.798 1.00 0.00 C ATOM 943 C ASN A 60 5.311 0.531 3.864 1.00 0.00 C ATOM 944 O ASN A 60 5.954 0.543 4.913 1.00 0.00 O ATOM 945 CB ASN A 60 3.361 0.935 2.393 1.00 0.00 C ATOM 946 CG ASN A 60 4.414 1.247 1.326 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.493 1.740 1.609 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.039 0.935 0.089 1.00 0.00 N ATOM 0 H ASN A 60 4.302 3.165 3.303 1.00 0.00 H new ATOM 0 HA ASN A 60 3.250 0.714 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.032 -0.099 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.485 1.565 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.670 1.106 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.120 0.524 -0.077 1.00 0.00 H new TER 955 ASN A 60