USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 281 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 154:sc= -0.392 (180deg=-1.96!) USER MOD Single : A 4 ASN : amide:sc= -2.54! C(o=-2.5!,f=-7.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.123 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00094) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.463 10.727 1.933 1.00 0.00 N ATOM 2 CA VAL A 1 -1.727 9.624 2.900 1.00 0.00 C ATOM 3 C VAL A 1 -0.996 8.353 2.461 1.00 0.00 C ATOM 4 O VAL A 1 -1.502 7.571 1.681 1.00 0.00 O ATOM 5 CB VAL A 1 -3.242 9.416 2.862 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.700 9.255 1.411 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.605 8.158 3.653 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.251 11.406 1.957 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.580 11.212 2.192 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.374 10.334 0.974 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.376 9.861 3.904 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.737 10.280 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.780 9.107 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.443 10.151 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.204 8.392 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.685 8.010 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.109 7.294 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.280 8.272 4.687 1.00 0.00 H new ATOM 19 N PHE A 2 0.191 8.142 2.959 1.00 0.00 N ATOM 20 CA PHE A 2 0.959 6.923 2.574 1.00 0.00 C ATOM 21 C PHE A 2 1.696 6.360 3.791 1.00 0.00 C ATOM 22 O PHE A 2 1.866 7.029 4.790 1.00 0.00 O ATOM 23 CB PHE A 2 1.962 7.398 1.522 1.00 0.00 C ATOM 24 CG PHE A 2 1.251 7.678 0.219 1.00 0.00 C ATOM 25 CD1 PHE A 2 0.232 6.828 -0.225 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.620 8.789 -0.549 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.418 7.088 -1.436 1.00 0.00 C ATOM 28 CE2 PHE A 2 0.969 9.050 -1.761 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.050 8.199 -2.204 1.00 0.00 C ATOM 0 H PHE A 2 0.664 8.762 3.617 1.00 0.00 H new ATOM 0 HA PHE A 2 0.312 6.133 2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.468 8.298 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.730 6.639 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.053 5.971 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.407 9.445 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.204 6.431 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.253 9.907 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.553 8.400 -3.139 1.00 0.00 H new ATOM 39 N ILE A 3 2.141 5.134 3.715 1.00 0.00 N ATOM 40 CA ILE A 3 2.871 4.539 4.871 1.00 0.00 C ATOM 41 C ILE A 3 4.246 4.038 4.422 1.00 0.00 C ATOM 42 O ILE A 3 4.415 3.573 3.313 1.00 0.00 O ATOM 43 CB ILE A 3 1.994 3.378 5.340 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.958 2.299 4.258 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.574 3.884 5.602 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.208 1.073 4.784 1.00 0.00 C ATOM 0 H ILE A 3 2.031 4.522 2.907 1.00 0.00 H new ATOM 0 HA ILE A 3 3.044 5.260 5.670 1.00 0.00 H new ATOM 0 HB ILE A 3 2.406 2.960 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.467 2.682 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.973 2.022 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.051 3.056 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.599 4.654 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.162 4.302 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.182 0.304 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.718 0.685 5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.189 1.356 5.049 1.00 0.00 H new ATOM 58 N ASN A 4 5.233 4.136 5.272 1.00 0.00 N ATOM 59 CA ASN A 4 6.596 3.672 4.884 1.00 0.00 C ATOM 60 C ASN A 4 6.858 2.262 5.422 1.00 0.00 C ATOM 61 O ASN A 4 7.582 2.077 6.380 1.00 0.00 O ATOM 62 CB ASN A 4 7.556 4.678 5.521 1.00 0.00 C ATOM 63 CG ASN A 4 7.308 4.744 7.029 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.656 3.885 7.587 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.804 5.738 7.715 1.00 0.00 N ATOM 0 H ASN A 4 5.155 4.516 6.215 1.00 0.00 H new ATOM 0 HA ASN A 4 6.717 3.621 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.587 4.385 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.414 5.663 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.644 5.794 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.352 6.459 7.245 1.00 0.00 H new ATOM 72 N ALA A 5 6.280 1.267 4.807 1.00 0.00 N ATOM 73 CA ALA A 5 6.501 -0.130 5.277 1.00 0.00 C ATOM 74 C ALA A 5 7.538 -0.820 4.388 1.00 0.00 C ATOM 75 O ALA A 5 7.679 -2.027 4.401 1.00 0.00 O ATOM 76 CB ALA A 5 5.141 -0.817 5.149 1.00 0.00 C ATOM 0 H ALA A 5 5.664 1.361 3.999 1.00 0.00 H new ATOM 0 HA ALA A 5 6.877 -0.169 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.224 -1.853 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.411 -0.297 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.817 -0.792 4.109 1.00 0.00 H new ATOM 82 N LYS A 6 8.264 -0.061 3.612 1.00 0.00 N ATOM 83 CA LYS A 6 9.291 -0.669 2.719 1.00 0.00 C ATOM 84 C LYS A 6 8.687 -1.844 1.946 1.00 0.00 C ATOM 85 O LYS A 6 9.187 -2.949 1.988 1.00 0.00 O ATOM 86 CB LYS A 6 10.392 -1.157 3.656 1.00 0.00 C ATOM 87 CG LYS A 6 11.758 -0.765 3.085 1.00 0.00 C ATOM 88 CD LYS A 6 12.764 -1.885 3.356 1.00 0.00 C ATOM 89 CE LYS A 6 13.920 -1.791 2.356 1.00 0.00 C ATOM 90 NZ LYS A 6 14.877 -0.823 2.962 1.00 0.00 N ATOM 0 H LYS A 6 8.190 0.955 3.558 1.00 0.00 H new ATOM 0 HA LYS A 6 9.668 0.039 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.261 -0.721 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.332 -2.239 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.678 -0.585 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.101 0.164 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.144 -1.807 4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.275 -2.855 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.387 -2.763 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.572 -1.445 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.697 -0.706 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.406 0.095 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.196 -1.182 3.884 1.00 0.00 H new ATOM 104 N CYS A 7 7.612 -1.612 1.242 1.00 0.00 N ATOM 105 CA CYS A 7 6.974 -2.719 0.468 1.00 0.00 C ATOM 106 C CYS A 7 7.949 -3.266 -0.578 1.00 0.00 C ATOM 107 O CYS A 7 8.724 -2.533 -1.162 1.00 0.00 O ATOM 108 CB CYS A 7 5.759 -2.086 -0.211 1.00 0.00 C ATOM 109 SG CYS A 7 6.288 -0.663 -1.197 1.00 0.00 S ATOM 0 H CYS A 7 7.148 -0.707 1.169 1.00 0.00 H new ATOM 0 HA CYS A 7 6.692 -3.556 1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.263 -2.818 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.033 -1.772 0.539 1.00 0.00 H new ATOM 114 N ARG A 8 7.916 -4.548 -0.820 1.00 0.00 N ATOM 115 CA ARG A 8 8.839 -5.143 -1.829 1.00 0.00 C ATOM 116 C ARG A 8 8.099 -5.375 -3.148 1.00 0.00 C ATOM 117 O ARG A 8 8.690 -5.390 -4.209 1.00 0.00 O ATOM 118 CB ARG A 8 9.287 -6.475 -1.224 1.00 0.00 C ATOM 119 CG ARG A 8 10.316 -6.218 -0.122 1.00 0.00 C ATOM 120 CD ARG A 8 11.644 -6.880 -0.496 1.00 0.00 C ATOM 121 NE ARG A 8 12.548 -5.751 -0.855 1.00 0.00 N ATOM 122 CZ ARG A 8 13.804 -5.980 -1.122 1.00 0.00 C ATOM 123 NH1 ARG A 8 14.150 -7.070 -1.751 1.00 0.00 N ATOM 124 NH2 ARG A 8 14.714 -5.119 -0.760 1.00 0.00 N ATOM 0 H ARG A 8 7.289 -5.210 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 8 9.685 -4.492 -2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.428 -7.008 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.719 -7.110 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.458 -5.146 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.955 -6.615 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.045 -7.458 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.521 -7.568 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 8 12.184 -4.799 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.438 -7.743 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.132 -7.248 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.443 -4.267 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.696 -5.297 -0.968 1.00 0.00 H new ATOM 138 N GLY A 9 6.808 -5.560 -3.090 1.00 0.00 N ATOM 139 CA GLY A 9 6.033 -5.794 -4.341 1.00 0.00 C ATOM 140 C GLY A 9 4.731 -4.992 -4.303 1.00 0.00 C ATOM 141 O GLY A 9 4.198 -4.700 -3.250 1.00 0.00 O ATOM 0 H GLY A 9 6.257 -5.559 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.626 -5.501 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.813 -6.856 -4.450 1.00 0.00 H new ATOM 145 N SER A 10 4.217 -4.635 -5.446 1.00 0.00 N ATOM 146 CA SER A 10 2.948 -3.854 -5.493 1.00 0.00 C ATOM 147 C SER A 10 1.779 -4.630 -4.859 1.00 0.00 C ATOM 148 O SER A 10 1.027 -4.068 -4.086 1.00 0.00 O ATOM 149 CB SER A 10 2.686 -3.616 -6.980 1.00 0.00 C ATOM 150 OG SER A 10 3.896 -3.789 -7.703 1.00 0.00 O ATOM 0 H SER A 10 4.623 -4.852 -6.356 1.00 0.00 H new ATOM 0 HA SER A 10 3.033 -2.925 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.929 -4.311 -7.344 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.296 -2.610 -7.136 1.00 0.00 H new ATOM 0 HG SER A 10 3.731 -3.639 -8.657 1.00 0.00 H new ATOM 156 N PRO A 11 1.641 -5.891 -5.205 1.00 0.00 N ATOM 157 CA PRO A 11 0.531 -6.708 -4.657 1.00 0.00 C ATOM 158 C PRO A 11 0.622 -6.825 -3.131 1.00 0.00 C ATOM 159 O PRO A 11 -0.337 -7.176 -2.472 1.00 0.00 O ATOM 160 CB PRO A 11 0.737 -8.064 -5.339 1.00 0.00 C ATOM 161 CG PRO A 11 1.960 -7.968 -6.271 1.00 0.00 C ATOM 162 CD PRO A 11 2.570 -6.567 -6.145 1.00 0.00 C ATOM 0 HA PRO A 11 -0.453 -6.279 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.891 -8.843 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.151 -8.339 -5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.697 -8.726 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.664 -8.159 -7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.587 -6.602 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.615 -6.057 -7.107 1.00 0.00 H new ATOM 170 N GLU A 12 1.755 -6.525 -2.559 1.00 0.00 N ATOM 171 CA GLU A 12 1.879 -6.615 -1.074 1.00 0.00 C ATOM 172 C GLU A 12 1.136 -5.445 -0.422 1.00 0.00 C ATOM 173 O GLU A 12 0.584 -5.562 0.657 1.00 0.00 O ATOM 174 CB GLU A 12 3.380 -6.529 -0.790 1.00 0.00 C ATOM 175 CG GLU A 12 3.961 -7.941 -0.683 1.00 0.00 C ATOM 176 CD GLU A 12 4.675 -8.100 0.660 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.531 -7.283 0.955 1.00 0.00 O ATOM 178 OE2 GLU A 12 4.355 -9.038 1.372 1.00 0.00 O ATOM 0 H GLU A 12 2.596 -6.223 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 12 1.448 -7.533 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.881 -5.978 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.555 -5.981 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.165 -8.681 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.658 -8.121 -1.501 1.00 0.00 H new ATOM 185 N CYS A 13 1.113 -4.317 -1.077 1.00 0.00 N ATOM 186 CA CYS A 13 0.407 -3.135 -0.507 1.00 0.00 C ATOM 187 C CYS A 13 -1.103 -3.383 -0.488 1.00 0.00 C ATOM 188 O CYS A 13 -1.824 -2.806 0.303 1.00 0.00 O ATOM 189 CB CYS A 13 0.758 -1.977 -1.445 1.00 0.00 C ATOM 190 SG CYS A 13 0.746 -0.410 -0.532 1.00 0.00 S ATOM 0 H CYS A 13 1.553 -4.163 -1.984 1.00 0.00 H new ATOM 0 HA CYS A 13 0.704 -2.927 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.741 -2.142 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.042 -1.934 -2.266 1.00 0.00 H new ATOM 195 N LEU A 14 -1.592 -4.237 -1.345 1.00 0.00 N ATOM 196 CA LEU A 14 -3.056 -4.511 -1.356 1.00 0.00 C ATOM 197 C LEU A 14 -3.508 -4.946 0.045 1.00 0.00 C ATOM 198 O LEU A 14 -4.340 -4.295 0.647 1.00 0.00 O ATOM 199 CB LEU A 14 -3.254 -5.629 -2.380 1.00 0.00 C ATOM 200 CG LEU A 14 -4.007 -5.084 -3.594 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.201 -5.371 -4.863 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.373 -5.768 -3.697 1.00 0.00 C ATOM 0 H LEU A 14 -1.045 -4.754 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.646 -3.634 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.288 -6.029 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.812 -6.452 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.145 -4.008 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.736 -4.983 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.227 -4.888 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.065 -6.447 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.910 -5.380 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.234 -6.843 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.949 -5.569 -2.793 1.00 0.00 H new ATOM 214 N PRO A 15 -2.937 -6.022 0.538 1.00 0.00 N ATOM 215 CA PRO A 15 -3.290 -6.507 1.892 1.00 0.00 C ATOM 216 C PRO A 15 -2.972 -5.429 2.930 1.00 0.00 C ATOM 217 O PRO A 15 -3.753 -5.157 3.821 1.00 0.00 O ATOM 218 CB PRO A 15 -2.373 -7.720 2.068 1.00 0.00 C ATOM 219 CG PRO A 15 -1.515 -7.881 0.799 1.00 0.00 C ATOM 220 CD PRO A 15 -1.923 -6.803 -0.213 1.00 0.00 C ATOM 0 HA PRO A 15 -4.346 -6.749 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.734 -7.587 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.965 -8.619 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.457 -7.787 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.656 -8.873 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.076 -6.186 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.338 -7.237 -1.123 1.00 0.00 H new ATOM 228 N LYS A 16 -1.825 -4.811 2.819 1.00 0.00 N ATOM 229 CA LYS A 16 -1.452 -3.748 3.796 1.00 0.00 C ATOM 230 C LYS A 16 -2.406 -2.557 3.673 1.00 0.00 C ATOM 231 O LYS A 16 -2.792 -1.952 4.655 1.00 0.00 O ATOM 232 CB LYS A 16 -0.029 -3.340 3.412 1.00 0.00 C ATOM 233 CG LYS A 16 0.960 -4.378 3.946 1.00 0.00 C ATOM 234 CD LYS A 16 0.824 -4.479 5.467 1.00 0.00 C ATOM 235 CE LYS A 16 2.213 -4.464 6.105 1.00 0.00 C ATOM 236 NZ LYS A 16 1.989 -4.001 7.503 1.00 0.00 N ATOM 0 H LYS A 16 -1.132 -4.997 2.094 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.512 -4.095 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.059 -3.262 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.202 -2.357 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.768 -5.348 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.979 -4.096 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.229 -3.648 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.299 -5.395 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.667 -5.455 6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.886 -3.794 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.898 -3.965 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.562 -3.053 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.350 -4.662 7.989 1.00 0.00 H new ATOM 250 N CYS A 17 -2.786 -2.211 2.473 1.00 0.00 N ATOM 251 CA CYS A 17 -3.712 -1.057 2.285 1.00 0.00 C ATOM 252 C CYS A 17 -5.084 -1.370 2.887 1.00 0.00 C ATOM 253 O CYS A 17 -5.828 -0.482 3.253 1.00 0.00 O ATOM 254 CB CYS A 17 -3.821 -0.883 0.771 1.00 0.00 C ATOM 255 SG CYS A 17 -2.311 -0.112 0.143 1.00 0.00 S ATOM 0 H CYS A 17 -2.495 -2.678 1.614 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.350 -0.155 2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.974 -1.851 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.686 -0.266 0.526 1.00 0.00 H new ATOM 260 N LYS A 18 -5.428 -2.624 2.988 1.00 0.00 N ATOM 261 CA LYS A 18 -6.756 -2.987 3.562 1.00 0.00 C ATOM 262 C LYS A 18 -6.728 -2.879 5.089 1.00 0.00 C ATOM 263 O LYS A 18 -7.664 -2.409 5.704 1.00 0.00 O ATOM 264 CB LYS A 18 -6.991 -4.434 3.129 1.00 0.00 C ATOM 265 CG LYS A 18 -8.454 -4.811 3.375 1.00 0.00 C ATOM 266 CD LYS A 18 -8.576 -6.329 3.514 1.00 0.00 C ATOM 267 CE LYS A 18 -8.798 -6.692 4.985 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.173 -7.265 5.036 1.00 0.00 N ATOM 0 H LYS A 18 -4.849 -3.412 2.699 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.548 -2.323 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.747 -4.553 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.334 -5.102 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.819 -4.322 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.074 -4.460 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.406 -6.695 2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.673 -6.813 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.057 -7.413 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.712 -5.814 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.399 -7.538 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.858 -6.554 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.223 -8.103 4.422 1.00 0.00 H new ATOM 282 N GLU A 19 -5.666 -3.318 5.706 1.00 0.00 N ATOM 283 CA GLU A 19 -5.589 -3.245 7.195 1.00 0.00 C ATOM 284 C GLU A 19 -5.252 -1.821 7.650 1.00 0.00 C ATOM 285 O GLU A 19 -5.559 -1.427 8.757 1.00 0.00 O ATOM 286 CB GLU A 19 -4.466 -4.210 7.579 1.00 0.00 C ATOM 287 CG GLU A 19 -5.053 -5.399 8.343 1.00 0.00 C ATOM 288 CD GLU A 19 -6.111 -6.090 7.481 1.00 0.00 C ATOM 289 OE1 GLU A 19 -6.177 -5.785 6.301 1.00 0.00 O ATOM 290 OE2 GLU A 19 -6.837 -6.912 8.013 1.00 0.00 O ATOM 0 H GLU A 19 -4.850 -3.723 5.247 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.536 -3.507 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.950 -4.558 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.727 -3.698 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.263 -6.104 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.497 -5.060 9.279 1.00 0.00 H new ATOM 297 N ALA A 20 -4.621 -1.047 6.808 1.00 0.00 N ATOM 298 CA ALA A 20 -4.265 0.346 7.204 1.00 0.00 C ATOM 299 C ALA A 20 -5.411 1.308 6.871 1.00 0.00 C ATOM 300 O ALA A 20 -5.537 2.365 7.456 1.00 0.00 O ATOM 301 CB ALA A 20 -3.023 0.687 6.378 1.00 0.00 C ATOM 0 H ALA A 20 -4.338 -1.318 5.866 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.082 0.434 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.697 1.700 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.224 -0.015 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.262 0.619 5.317 1.00 0.00 H new ATOM 307 N ILE A 21 -6.247 0.951 5.933 1.00 0.00 N ATOM 308 CA ILE A 21 -7.380 1.851 5.565 1.00 0.00 C ATOM 309 C ILE A 21 -8.697 1.067 5.526 1.00 0.00 C ATOM 310 O ILE A 21 -9.756 1.605 5.779 1.00 0.00 O ATOM 311 CB ILE A 21 -7.022 2.382 4.175 1.00 0.00 C ATOM 312 CG1 ILE A 21 -5.957 3.472 4.308 1.00 0.00 C ATOM 313 CG2 ILE A 21 -8.267 2.973 3.511 1.00 0.00 C ATOM 314 CD1 ILE A 21 -5.038 3.439 3.086 1.00 0.00 C ATOM 0 H ILE A 21 -6.196 0.079 5.407 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.520 2.656 6.286 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.640 1.564 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.431 4.450 4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.376 3.319 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.008 3.350 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.030 2.201 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.652 3.790 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.279 4.216 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.554 2.465 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.625 3.613 2.184 1.00 0.00 H new ATOM 326 N GLY A 22 -8.642 -0.201 5.218 1.00 0.00 N ATOM 327 CA GLY A 22 -9.894 -1.010 5.171 1.00 0.00 C ATOM 328 C GLY A 22 -10.186 -1.427 3.728 1.00 0.00 C ATOM 329 O GLY A 22 -10.932 -2.354 3.481 1.00 0.00 O ATOM 0 H GLY A 22 -7.786 -0.711 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.791 -1.893 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.728 -0.431 5.568 1.00 0.00 H new ATOM 333 N LYS A 23 -9.605 -0.753 2.774 1.00 0.00 N ATOM 334 CA LYS A 23 -9.855 -1.118 1.351 1.00 0.00 C ATOM 335 C LYS A 23 -8.571 -1.646 0.705 1.00 0.00 C ATOM 336 O LYS A 23 -7.573 -0.957 0.630 1.00 0.00 O ATOM 337 CB LYS A 23 -10.301 0.180 0.676 1.00 0.00 C ATOM 338 CG LYS A 23 -11.623 -0.057 -0.058 1.00 0.00 C ATOM 339 CD LYS A 23 -11.537 0.526 -1.470 1.00 0.00 C ATOM 340 CE LYS A 23 -12.501 1.707 -1.595 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.027 1.627 -2.986 1.00 0.00 N ATOM 0 H LYS A 23 -8.970 0.032 2.917 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.605 -1.903 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.422 0.967 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.539 0.519 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.837 -1.125 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.443 0.408 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.518 0.851 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.785 -0.239 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.306 1.639 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.990 2.654 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.697 2.406 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.239 1.701 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.514 0.718 -3.121 1.00 0.00 H new ATOM 355 N ALA A 24 -8.590 -2.862 0.235 1.00 0.00 N ATOM 356 CA ALA A 24 -7.372 -3.432 -0.407 1.00 0.00 C ATOM 357 C ALA A 24 -7.096 -2.718 -1.733 1.00 0.00 C ATOM 358 O ALA A 24 -7.412 -3.218 -2.795 1.00 0.00 O ATOM 359 CB ALA A 24 -7.703 -4.906 -0.649 1.00 0.00 C ATOM 0 H ALA A 24 -9.396 -3.486 0.268 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.482 -3.313 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.852 -5.397 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.920 -5.391 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.573 -4.981 -1.301 1.00 0.00 H new ATOM 365 N ALA A 25 -6.511 -1.554 -1.681 1.00 0.00 N ATOM 366 CA ALA A 25 -6.218 -0.811 -2.939 1.00 0.00 C ATOM 367 C ALA A 25 -4.960 0.041 -2.769 1.00 0.00 C ATOM 368 O ALA A 25 -4.842 0.810 -1.834 1.00 0.00 O ATOM 369 CB ALA A 25 -7.441 0.077 -3.168 1.00 0.00 C ATOM 0 H ALA A 25 -6.223 -1.085 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.036 -1.479 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.303 0.659 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.330 -0.546 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.564 0.752 -2.321 1.00 0.00 H new ATOM 375 N GLY A 26 -4.018 -0.087 -3.662 1.00 0.00 N ATOM 376 CA GLY A 26 -2.771 0.718 -3.545 1.00 0.00 C ATOM 377 C GLY A 26 -1.643 0.039 -4.322 1.00 0.00 C ATOM 378 O GLY A 26 -1.846 -0.956 -4.989 1.00 0.00 O ATOM 0 H GLY A 26 -4.058 -0.713 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.938 1.723 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.491 0.823 -2.497 1.00 0.00 H new ATOM 382 N LYS A 27 -0.454 0.570 -4.241 1.00 0.00 N ATOM 383 CA LYS A 27 0.689 -0.044 -4.976 1.00 0.00 C ATOM 384 C LYS A 27 1.986 0.136 -4.182 1.00 0.00 C ATOM 385 O LYS A 27 1.973 0.554 -3.041 1.00 0.00 O ATOM 386 CB LYS A 27 0.762 0.714 -6.303 1.00 0.00 C ATOM 387 CG LYS A 27 -0.469 0.380 -7.149 1.00 0.00 C ATOM 388 CD LYS A 27 -0.339 1.037 -8.524 1.00 0.00 C ATOM 389 CE LYS A 27 -1.241 2.271 -8.588 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.429 3.303 -9.293 1.00 0.00 N ATOM 0 H LYS A 27 -0.224 1.402 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 27 0.555 -1.115 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.810 1.787 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.671 0.442 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.566 -0.700 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.372 0.732 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.697 1.321 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.617 0.329 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.164 2.058 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.525 2.605 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.980 4.181 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.440 3.490 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.180 2.960 -10.242 1.00 0.00 H new ATOM 404 N CYS A 28 3.104 -0.174 -4.777 1.00 0.00 N ATOM 405 CA CYS A 28 4.401 -0.018 -4.057 1.00 0.00 C ATOM 406 C CYS A 28 5.417 0.699 -4.950 1.00 0.00 C ATOM 407 O CYS A 28 5.863 0.171 -5.948 1.00 0.00 O ATOM 408 CB CYS A 28 4.863 -1.446 -3.754 1.00 0.00 C ATOM 409 SG CYS A 28 6.536 -1.408 -3.060 1.00 0.00 S ATOM 0 H CYS A 28 3.177 -0.529 -5.731 1.00 0.00 H new ATOM 0 HA CYS A 28 4.301 0.577 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.177 -1.920 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.850 -2.045 -4.665 1.00 0.00 H new ATOM 414 N MET A 29 5.783 1.903 -4.601 1.00 0.00 N ATOM 415 CA MET A 29 6.768 2.654 -5.432 1.00 0.00 C ATOM 416 C MET A 29 7.982 3.050 -4.588 1.00 0.00 C ATOM 417 O MET A 29 7.853 3.677 -3.556 1.00 0.00 O ATOM 418 CB MET A 29 6.018 3.898 -5.907 1.00 0.00 C ATOM 419 CG MET A 29 6.467 4.256 -7.324 1.00 0.00 C ATOM 420 SD MET A 29 6.514 6.056 -7.508 1.00 0.00 S ATOM 421 CE MET A 29 7.938 6.132 -8.623 1.00 0.00 C ATOM 0 H MET A 29 5.443 2.399 -3.777 1.00 0.00 H new ATOM 0 HA MET A 29 7.142 2.059 -6.265 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.943 3.716 -5.890 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.211 4.732 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.452 3.834 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.783 3.823 -8.054 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.149 7.172 -8.873 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.807 5.692 -8.134 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.716 5.578 -9.535 1.00 0.00 H new ATOM 431 N ASN A 30 9.161 2.695 -5.021 1.00 0.00 N ATOM 432 CA ASN A 30 10.379 3.058 -4.241 1.00 0.00 C ATOM 433 C ASN A 30 10.374 2.343 -2.887 1.00 0.00 C ATOM 434 O ASN A 30 11.101 2.702 -1.982 1.00 0.00 O ATOM 435 CB ASN A 30 10.286 4.572 -4.051 1.00 0.00 C ATOM 436 CG ASN A 30 11.510 5.244 -4.675 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.518 5.546 -5.851 1.00 0.00 O ATOM 438 ND2 ASN A 30 12.553 5.492 -3.931 1.00 0.00 N ATOM 0 H ASN A 30 9.334 2.171 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 30 11.299 2.766 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.375 4.951 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.228 4.813 -2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.375 5.939 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.547 5.238 -2.943 1.00 0.00 H new ATOM 445 N GLY A 31 9.560 1.333 -2.742 1.00 0.00 N ATOM 446 CA GLY A 31 9.510 0.597 -1.448 1.00 0.00 C ATOM 447 C GLY A 31 8.490 1.259 -0.520 1.00 0.00 C ATOM 448 O GLY A 31 8.507 1.067 0.677 1.00 0.00 O ATOM 0 H GLY A 31 8.928 0.986 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.238 -0.444 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.495 0.596 -0.981 1.00 0.00 H new ATOM 452 N LYS A 32 7.600 2.042 -1.060 1.00 0.00 N ATOM 453 CA LYS A 32 6.583 2.712 -0.201 1.00 0.00 C ATOM 454 C LYS A 32 5.191 2.158 -0.505 1.00 0.00 C ATOM 455 O LYS A 32 4.879 1.827 -1.630 1.00 0.00 O ATOM 456 CB LYS A 32 6.663 4.192 -0.569 1.00 0.00 C ATOM 457 CG LYS A 32 8.106 4.676 -0.427 1.00 0.00 C ATOM 458 CD LYS A 32 8.179 5.751 0.658 1.00 0.00 C ATOM 459 CE LYS A 32 9.638 6.150 0.886 1.00 0.00 C ATOM 460 NZ LYS A 32 9.922 7.177 -0.155 1.00 0.00 N ATOM 0 H LYS A 32 7.532 2.248 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 32 6.767 2.548 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.317 4.343 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.008 4.774 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.757 3.841 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.461 5.077 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.595 6.622 0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.744 5.377 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.786 6.552 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.303 5.292 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.901 7.513 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.796 6.759 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.268 7.977 -0.041 1.00 0.00 H new ATOM 474 N CYS A 33 4.353 2.051 0.487 1.00 0.00 N ATOM 475 CA CYS A 33 2.985 1.511 0.248 1.00 0.00 C ATOM 476 C CYS A 33 2.002 2.658 -0.003 1.00 0.00 C ATOM 477 O CYS A 33 1.735 3.463 0.870 1.00 0.00 O ATOM 478 CB CYS A 33 2.627 0.776 1.537 1.00 0.00 C ATOM 479 SG CYS A 33 1.807 -0.790 1.145 1.00 0.00 S ATOM 0 H CYS A 33 4.555 2.313 1.452 1.00 0.00 H new ATOM 0 HA CYS A 33 2.942 0.858 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.528 0.589 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.973 1.396 2.150 1.00 0.00 H new ATOM 484 N LYS A 34 1.461 2.736 -1.189 1.00 0.00 N ATOM 485 CA LYS A 34 0.493 3.827 -1.497 1.00 0.00 C ATOM 486 C LYS A 34 -0.917 3.250 -1.649 1.00 0.00 C ATOM 487 O LYS A 34 -1.181 2.462 -2.534 1.00 0.00 O ATOM 488 CB LYS A 34 0.973 4.427 -2.819 1.00 0.00 C ATOM 489 CG LYS A 34 2.488 4.642 -2.766 1.00 0.00 C ATOM 490 CD LYS A 34 2.861 5.865 -3.607 1.00 0.00 C ATOM 491 CE LYS A 34 2.568 5.581 -5.082 1.00 0.00 C ATOM 492 NZ LYS A 34 1.776 6.753 -5.550 1.00 0.00 N ATOM 0 H LYS A 34 1.648 2.092 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 34 0.449 4.575 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.719 3.763 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.467 5.375 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.810 4.785 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.005 3.758 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.295 6.735 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.917 6.102 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.490 5.474 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.009 4.653 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.537 6.631 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.901 6.826 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.336 7.621 -5.430 1.00 0.00 H new ATOM 506 N CYS A 35 -1.822 3.632 -0.790 1.00 0.00 N ATOM 507 CA CYS A 35 -3.214 3.098 -0.885 1.00 0.00 C ATOM 508 C CYS A 35 -4.184 4.203 -1.313 1.00 0.00 C ATOM 509 O CYS A 35 -4.039 5.350 -0.937 1.00 0.00 O ATOM 510 CB CYS A 35 -3.550 2.615 0.527 1.00 0.00 C ATOM 511 SG CYS A 35 -2.180 1.622 1.170 1.00 0.00 S ATOM 0 H CYS A 35 -1.660 4.289 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.296 2.301 -1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.732 3.468 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.466 2.024 0.512 1.00 0.00 H new ATOM 516 N TYR A 36 -5.176 3.865 -2.091 1.00 0.00 N ATOM 517 CA TYR A 36 -6.158 4.894 -2.536 1.00 0.00 C ATOM 518 C TYR A 36 -7.357 4.922 -1.580 1.00 0.00 C ATOM 519 O TYR A 36 -7.700 3.913 -0.996 1.00 0.00 O ATOM 520 CB TYR A 36 -6.591 4.449 -3.932 1.00 0.00 C ATOM 521 CG TYR A 36 -5.473 4.716 -4.911 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.298 3.958 -4.852 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.610 5.722 -5.875 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.259 4.205 -5.756 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.570 5.970 -6.780 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.395 5.211 -6.720 1.00 0.00 C ATOM 527 OH TYR A 36 -2.370 5.455 -7.612 1.00 0.00 O ATOM 0 H TYR A 36 -5.349 2.921 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.734 5.898 -2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.839 3.388 -3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.490 4.986 -4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.193 3.182 -4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.517 6.306 -5.921 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.352 3.620 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.674 6.746 -7.524 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.627 6.184 -8.214 1.00 0.00 H new ATOM 537 N PRO A 37 -7.956 6.079 -1.447 1.00 0.00 N ATOM 538 CA PRO A 37 -9.123 6.234 -0.547 1.00 0.00 C ATOM 539 C PRO A 37 -10.279 5.341 -1.008 1.00 0.00 C ATOM 540 O PRO A 37 -10.830 5.617 -2.061 1.00 0.00 O ATOM 541 CB PRO A 37 -9.476 7.716 -0.704 1.00 0.00 C ATOM 542 CG PRO A 37 -8.491 8.357 -1.702 1.00 0.00 C ATOM 543 CD PRO A 37 -7.505 7.285 -2.181 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.592 4.398 -0.301 1.00 0.00 O ATOM 0 HA PRO A 37 -8.921 5.948 0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.500 7.824 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.420 8.222 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.033 8.777 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.954 9.179 -1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.553 7.144 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.475 7.545 -1.939 1.00 0.00 H new TER 552 PRO A 37