USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 256 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 Single : A 1 ALA N :NH3+ 169:sc=-0.00225 (180deg=-0.186) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -86:sc= 0.944 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 14 ASN : amide:sc= -8.04! C(o=-8!,f=-13!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.0123 (180deg=-0.666) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 168:sc= 0.458! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.652 -9.525 -3.223 1.00 0.00 N ATOM 2 CA ALA A 1 -5.265 -8.445 -2.271 1.00 0.00 C ATOM 3 C ALA A 1 -6.515 -7.830 -1.635 1.00 0.00 C ATOM 4 O ALA A 1 -6.519 -6.681 -1.237 1.00 0.00 O ATOM 5 CB ALA A 1 -4.529 -7.408 -3.120 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.823 -9.807 -3.784 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.006 -10.346 -2.692 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.397 -9.176 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.643 -8.817 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.212 -6.579 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.655 -7.869 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.195 -7.036 -3.898 1.00 0.00 H new ATOM 11 N ILE A 2 -7.575 -8.584 -1.537 1.00 0.00 N ATOM 12 CA ILE A 2 -8.822 -8.042 -0.926 1.00 0.00 C ATOM 13 C ILE A 2 -8.582 -7.687 0.544 1.00 0.00 C ATOM 14 O ILE A 2 -9.004 -6.652 1.020 1.00 0.00 O ATOM 15 CB ILE A 2 -9.847 -9.170 -1.049 1.00 0.00 C ATOM 16 CG1 ILE A 2 -10.196 -9.379 -2.525 1.00 0.00 C ATOM 17 CG2 ILE A 2 -11.113 -8.798 -0.275 1.00 0.00 C ATOM 18 CD1 ILE A 2 -11.001 -10.671 -2.684 1.00 0.00 C ATOM 0 H ILE A 2 -7.632 -9.552 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 2 -9.161 -7.130 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.428 -10.089 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -10.772 -8.532 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.285 -9.431 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.843 -9.603 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.866 -8.646 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -11.534 -7.880 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.249 -10.818 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.409 -11.515 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.919 -10.601 -2.101 1.00 0.00 H new ATOM 30 N GLY A 3 -7.905 -8.537 1.268 1.00 0.00 N ATOM 31 CA GLY A 3 -7.638 -8.244 2.705 1.00 0.00 C ATOM 32 C GLY A 3 -6.692 -7.047 2.814 1.00 0.00 C ATOM 33 O GLY A 3 -5.871 -6.812 1.949 1.00 0.00 O ATOM 0 H GLY A 3 -7.526 -9.420 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.573 -8.031 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.197 -9.115 3.189 1.00 0.00 H new ATOM 37 N THR A 4 -6.798 -6.285 3.869 1.00 0.00 N ATOM 38 CA THR A 4 -5.903 -5.102 4.027 1.00 0.00 C ATOM 39 C THR A 4 -4.557 -5.534 4.619 1.00 0.00 C ATOM 40 O THR A 4 -4.427 -6.609 5.169 1.00 0.00 O ATOM 41 CB THR A 4 -6.639 -4.177 4.998 1.00 0.00 C ATOM 42 OG1 THR A 4 -6.753 -4.818 6.261 1.00 0.00 O ATOM 43 CG2 THR A 4 -8.034 -3.861 4.458 1.00 0.00 C ATOM 0 H THR A 4 -7.464 -6.430 4.627 1.00 0.00 H new ATOM 0 HA THR A 4 -5.692 -4.613 3.076 1.00 0.00 H new ATOM 0 HB THR A 4 -6.079 -3.248 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.223 -4.227 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.553 -3.202 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.946 -3.369 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.599 -4.786 4.345 1.00 0.00 H new ATOM 51 N TRP A 5 -3.556 -4.701 4.517 1.00 0.00 N ATOM 52 CA TRP A 5 -2.227 -5.069 5.083 1.00 0.00 C ATOM 53 C TRP A 5 -1.527 -3.823 5.644 1.00 0.00 C ATOM 54 O TRP A 5 -1.835 -2.705 5.277 1.00 0.00 O ATOM 55 CB TRP A 5 -1.444 -5.669 3.910 1.00 0.00 C ATOM 56 CG TRP A 5 -1.387 -4.695 2.777 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.409 -4.403 1.944 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.259 -3.894 2.328 1.00 0.00 C ATOM 59 NE1 TRP A 5 -1.979 -3.470 1.020 1.00 0.00 N ATOM 60 CE2 TRP A 5 -0.665 -3.126 1.213 1.00 0.00 C ATOM 61 CE3 TRP A 5 1.062 -3.756 2.774 1.00 0.00 C ATOM 62 CZ2 TRP A 5 0.206 -2.257 0.563 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.941 -2.880 2.121 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.512 -2.134 1.019 1.00 0.00 C ATOM 0 H TRP A 5 -3.601 -3.786 4.068 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.307 -5.776 5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.434 -5.925 4.230 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.918 -6.594 3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.400 -4.829 1.992 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.568 -3.083 0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.405 -4.327 3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.130 -1.684 -0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.958 -2.781 2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.196 -1.462 0.522 1.00 0.00 H new ATOM 75 N ASP A 6 -0.587 -4.008 6.532 1.00 0.00 N ATOM 76 CA ASP A 6 0.127 -2.830 7.119 1.00 0.00 C ATOM 77 C ASP A 6 1.641 -3.052 7.085 1.00 0.00 C ATOM 78 O ASP A 6 2.128 -4.133 7.351 1.00 0.00 O ATOM 79 CB ASP A 6 -0.374 -2.720 8.568 1.00 0.00 C ATOM 80 CG ASP A 6 0.253 -1.492 9.233 1.00 0.00 C ATOM 81 OD1 ASP A 6 1.127 -0.895 8.629 1.00 0.00 O ATOM 82 OD2 ASP A 6 -0.154 -1.171 10.337 1.00 0.00 O ATOM 0 H ASP A 6 -0.282 -4.918 6.877 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.071 -1.917 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.461 -2.640 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.113 -3.621 9.124 1.00 0.00 H new ATOM 87 N CYS A 7 2.387 -2.031 6.764 1.00 0.00 N ATOM 88 CA CYS A 7 3.867 -2.172 6.716 1.00 0.00 C ATOM 89 C CYS A 7 4.458 -1.853 8.090 1.00 0.00 C ATOM 90 O CYS A 7 4.404 -0.733 8.554 1.00 0.00 O ATOM 91 CB CYS A 7 4.312 -1.144 5.671 1.00 0.00 C ATOM 92 SG CYS A 7 6.027 -1.459 5.192 1.00 0.00 S ATOM 0 H CYS A 7 2.033 -1.103 6.532 1.00 0.00 H new ATOM 0 HA CYS A 7 4.196 -3.179 6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.665 -1.198 4.796 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.217 -0.136 6.076 1.00 0.00 H new ATOM 97 N ASP A 8 5.018 -2.831 8.749 1.00 0.00 N ATOM 98 CA ASP A 8 5.607 -2.568 10.103 1.00 0.00 C ATOM 99 C ASP A 8 7.092 -2.208 9.982 1.00 0.00 C ATOM 100 O ASP A 8 7.724 -1.827 10.947 1.00 0.00 O ATOM 101 CB ASP A 8 5.439 -3.867 10.904 1.00 0.00 C ATOM 102 CG ASP A 8 3.972 -4.301 10.872 1.00 0.00 C ATOM 103 OD1 ASP A 8 3.122 -3.434 10.744 1.00 0.00 O ATOM 104 OD2 ASP A 8 3.724 -5.490 10.974 1.00 0.00 O ATOM 0 H ASP A 8 5.095 -3.792 8.417 1.00 0.00 H new ATOM 0 HA ASP A 8 5.110 -1.731 10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.070 -4.650 10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.762 -3.716 11.934 1.00 0.00 H new ATOM 109 N THR A 9 7.656 -2.318 8.808 1.00 0.00 N ATOM 110 CA THR A 9 9.095 -1.973 8.646 1.00 0.00 C ATOM 111 C THR A 9 9.294 -0.471 8.860 1.00 0.00 C ATOM 112 O THR A 9 10.300 -0.035 9.380 1.00 0.00 O ATOM 113 CB THR A 9 9.438 -2.362 7.209 1.00 0.00 C ATOM 114 OG1 THR A 9 8.640 -1.603 6.312 1.00 0.00 O ATOM 115 CG2 THR A 9 9.160 -3.852 7.007 1.00 0.00 C ATOM 0 H THR A 9 7.184 -2.630 7.960 1.00 0.00 H new ATOM 0 HA THR A 9 9.732 -2.488 9.366 1.00 0.00 H new ATOM 0 HB THR A 9 10.492 -2.160 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.780 -2.053 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.404 -4.132 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.771 -4.433 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.106 -4.055 7.197 1.00 0.00 H new ATOM 123 N CYS A 10 8.333 0.321 8.467 1.00 0.00 N ATOM 124 CA CYS A 10 8.460 1.793 8.651 1.00 0.00 C ATOM 125 C CYS A 10 7.218 2.354 9.361 1.00 0.00 C ATOM 126 O CYS A 10 6.959 3.540 9.327 1.00 0.00 O ATOM 127 CB CYS A 10 8.599 2.363 7.239 1.00 0.00 C ATOM 128 SG CYS A 10 6.983 2.401 6.436 1.00 0.00 S ATOM 0 H CYS A 10 7.466 0.011 8.027 1.00 0.00 H new ATOM 0 HA CYS A 10 9.314 2.060 9.273 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.018 3.368 7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.291 1.754 6.657 1.00 0.00 H new ATOM 133 N LEU A 11 6.467 1.504 10.018 1.00 0.00 N ATOM 134 CA LEU A 11 5.249 1.958 10.763 1.00 0.00 C ATOM 135 C LEU A 11 4.240 2.649 9.840 1.00 0.00 C ATOM 136 O LEU A 11 3.688 3.680 10.171 1.00 0.00 O ATOM 137 CB LEU A 11 5.773 2.934 11.823 1.00 0.00 C ATOM 138 CG LEU A 11 6.644 2.174 12.823 1.00 0.00 C ATOM 139 CD1 LEU A 11 7.426 3.170 13.681 1.00 0.00 C ATOM 140 CD2 LEU A 11 5.752 1.318 13.726 1.00 0.00 C ATOM 0 H LEU A 11 6.648 0.502 10.071 1.00 0.00 H new ATOM 0 HA LEU A 11 4.716 1.115 11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.351 3.727 11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.939 3.411 12.338 1.00 0.00 H new ATOM 0 HG LEU A 11 7.341 1.533 12.283 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.047 2.627 14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.060 3.783 13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.729 3.811 14.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.371 0.775 14.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.056 1.961 14.265 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.193 0.608 13.117 1.00 0.00 H new ATOM 152 N VAL A 12 3.976 2.081 8.694 1.00 0.00 N ATOM 153 CA VAL A 12 2.980 2.701 7.769 1.00 0.00 C ATOM 154 C VAL A 12 1.941 1.662 7.338 1.00 0.00 C ATOM 155 O VAL A 12 2.276 0.561 6.950 1.00 0.00 O ATOM 156 CB VAL A 12 3.780 3.182 6.562 1.00 0.00 C ATOM 157 CG1 VAL A 12 2.818 3.594 5.446 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.640 4.382 6.963 1.00 0.00 C ATOM 0 H VAL A 12 4.404 1.218 8.358 1.00 0.00 H new ATOM 0 HA VAL A 12 2.441 3.520 8.246 1.00 0.00 H new ATOM 0 HB VAL A 12 4.424 2.377 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.388 3.938 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.206 2.739 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.174 4.399 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.211 4.725 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.997 5.188 7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.325 4.089 7.758 1.00 0.00 H new ATOM 168 N GLN A 13 0.683 2.006 7.391 1.00 0.00 N ATOM 169 CA GLN A 13 -0.370 1.038 6.973 1.00 0.00 C ATOM 170 C GLN A 13 -0.849 1.374 5.559 1.00 0.00 C ATOM 171 O GLN A 13 -0.931 2.526 5.182 1.00 0.00 O ATOM 172 CB GLN A 13 -1.504 1.215 7.985 1.00 0.00 C ATOM 173 CG GLN A 13 -2.612 0.203 7.692 1.00 0.00 C ATOM 174 CD GLN A 13 -3.755 0.391 8.691 1.00 0.00 C ATOM 175 OE1 GLN A 13 -4.161 1.502 8.965 1.00 0.00 O ATOM 176 NE2 GLN A 13 -4.291 -0.657 9.254 1.00 0.00 N ATOM 0 H GLN A 13 0.340 2.914 7.705 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.007 0.010 6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.127 1.074 8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.900 2.229 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.979 0.335 6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.219 -0.812 7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.950 -1.590 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.051 -0.543 9.924 1.00 0.00 H new ATOM 185 N ASN A 14 -1.168 0.383 4.770 1.00 0.00 N ATOM 186 CA ASN A 14 -1.642 0.676 3.383 1.00 0.00 C ATOM 187 C ASN A 14 -3.045 0.101 3.180 1.00 0.00 C ATOM 188 O ASN A 14 -3.270 -1.082 3.337 1.00 0.00 O ATOM 189 CB ASN A 14 -0.646 -0.002 2.426 1.00 0.00 C ATOM 190 CG ASN A 14 0.795 0.419 2.757 1.00 0.00 C ATOM 191 OD1 ASN A 14 1.129 0.660 3.900 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.672 0.520 1.792 1.00 0.00 N ATOM 0 H ASN A 14 -1.123 -0.605 5.020 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.692 1.749 3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.741 -1.085 2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.882 0.267 1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.630 0.800 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.398 0.319 0.830 1.00 0.00 H new ATOM 199 N LYS A 15 -3.989 0.928 2.826 1.00 0.00 N ATOM 200 CA LYS A 15 -5.372 0.422 2.608 1.00 0.00 C ATOM 201 C LYS A 15 -5.400 -0.481 1.372 1.00 0.00 C ATOM 202 O LYS A 15 -4.445 -0.538 0.623 1.00 0.00 O ATOM 203 CB LYS A 15 -6.230 1.670 2.392 1.00 0.00 C ATOM 204 CG LYS A 15 -6.852 2.096 3.724 1.00 0.00 C ATOM 205 CD LYS A 15 -7.059 3.611 3.736 1.00 0.00 C ATOM 206 CE LYS A 15 -7.471 4.059 5.140 1.00 0.00 C ATOM 207 NZ LYS A 15 -8.804 3.435 5.366 1.00 0.00 N ATOM 0 H LYS A 15 -3.863 1.929 2.679 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.738 -0.170 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.621 2.478 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.013 1.465 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.805 1.588 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.204 1.801 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.141 4.116 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.827 3.890 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.749 3.730 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.527 5.145 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.300 3.942 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.364 3.487 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.679 2.439 5.639 1.00 0.00 H new ATOM 221 N PRO A 16 -6.496 -1.164 1.205 1.00 0.00 N ATOM 222 CA PRO A 16 -6.653 -2.086 0.052 1.00 0.00 C ATOM 223 C PRO A 16 -6.373 -1.356 -1.263 1.00 0.00 C ATOM 224 O PRO A 16 -5.825 -1.918 -2.191 1.00 0.00 O ATOM 225 CB PRO A 16 -8.113 -2.522 0.135 1.00 0.00 C ATOM 226 CG PRO A 16 -8.502 -2.306 1.562 1.00 0.00 C ATOM 227 CD PRO A 16 -7.682 -1.148 2.067 1.00 0.00 C ATOM 0 HA PRO A 16 -5.961 -2.928 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.739 -1.935 -0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.229 -3.567 -0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.567 -2.090 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.312 -3.201 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.225 -0.206 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.416 -1.272 3.117 1.00 0.00 H new ATOM 235 N GLU A 17 -6.739 -0.108 -1.352 1.00 0.00 N ATOM 236 CA GLU A 17 -6.486 0.651 -2.610 1.00 0.00 C ATOM 237 C GLU A 17 -4.982 0.827 -2.807 1.00 0.00 C ATOM 238 O GLU A 17 -4.483 0.811 -3.914 1.00 0.00 O ATOM 239 CB GLU A 17 -7.166 2.006 -2.410 1.00 0.00 C ATOM 240 CG GLU A 17 -6.942 2.876 -3.650 1.00 0.00 C ATOM 241 CD GLU A 17 -7.713 2.288 -4.834 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.470 1.355 -4.618 1.00 0.00 O ATOM 243 OE2 GLU A 17 -7.533 2.779 -5.936 1.00 0.00 O ATOM 0 H GLU A 17 -7.201 0.419 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.872 0.138 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.233 1.868 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.762 2.501 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.275 3.896 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.879 2.927 -3.884 1.00 0.00 H new ATOM 250 N ALA A 18 -4.258 0.993 -1.736 1.00 0.00 N ATOM 251 CA ALA A 18 -2.784 1.167 -1.849 1.00 0.00 C ATOM 252 C ALA A 18 -2.187 0.047 -2.703 1.00 0.00 C ATOM 253 O ALA A 18 -2.880 -0.836 -3.168 1.00 0.00 O ATOM 254 CB ALA A 18 -2.264 1.084 -0.413 1.00 0.00 C ATOM 0 H ALA A 18 -4.625 1.016 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.513 2.109 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.181 1.204 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.718 1.875 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.523 0.114 0.012 1.00 0.00 H new ATOM 260 N VAL A 19 -0.902 0.075 -2.909 1.00 0.00 N ATOM 261 CA VAL A 19 -0.249 -0.983 -3.728 1.00 0.00 C ATOM 262 C VAL A 19 1.251 -0.969 -3.453 1.00 0.00 C ATOM 263 O VAL A 19 1.885 -1.998 -3.337 1.00 0.00 O ATOM 264 CB VAL A 19 -0.537 -0.608 -5.184 1.00 0.00 C ATOM 265 CG1 VAL A 19 -1.766 -1.374 -5.674 1.00 0.00 C ATOM 266 CG2 VAL A 19 -0.806 0.896 -5.288 1.00 0.00 C ATOM 0 H VAL A 19 -0.272 0.789 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.619 -1.983 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 19 0.326 -0.866 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.972 -1.107 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.578 -2.445 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.626 -1.116 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.010 1.158 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.667 1.155 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.068 1.447 -4.940 1.00 0.00 H new ATOM 276 N LYS A 20 1.815 0.198 -3.326 1.00 0.00 N ATOM 277 CA LYS A 20 3.268 0.296 -3.033 1.00 0.00 C ATOM 278 C LYS A 20 3.479 1.347 -1.941 1.00 0.00 C ATOM 279 O LYS A 20 3.247 2.523 -2.140 1.00 0.00 O ATOM 280 CB LYS A 20 3.929 0.723 -4.345 1.00 0.00 C ATOM 281 CG LYS A 20 3.650 -0.329 -5.421 1.00 0.00 C ATOM 282 CD LYS A 20 4.299 0.100 -6.737 1.00 0.00 C ATOM 283 CE LYS A 20 4.012 -0.950 -7.813 1.00 0.00 C ATOM 284 NZ LYS A 20 4.667 -0.428 -9.043 1.00 0.00 N ATOM 0 H LYS A 20 1.329 1.091 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 20 3.694 -0.642 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.544 1.693 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.004 0.838 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.043 -1.297 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.575 -0.450 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.910 1.070 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.375 0.215 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.416 -1.923 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.940 -1.081 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.514 -1.094 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.258 0.496 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.688 -0.320 -8.874 1.00 0.00 H new ATOM 298 N CYS A 21 3.884 0.918 -0.783 1.00 0.00 N ATOM 299 CA CYS A 21 4.083 1.866 0.354 1.00 0.00 C ATOM 300 C CYS A 21 4.846 3.121 -0.092 1.00 0.00 C ATOM 301 O CYS A 21 5.865 3.055 -0.737 1.00 0.00 O ATOM 302 CB CYS A 21 4.897 1.080 1.388 1.00 0.00 C ATOM 303 SG CYS A 21 4.836 1.933 2.983 1.00 0.00 S ATOM 0 H CYS A 21 4.089 -0.058 -0.569 1.00 0.00 H new ATOM 0 HA CYS A 21 3.132 2.217 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.499 0.070 1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.930 0.983 1.055 1.00 0.00 H new ATOM 308 N VAL A 22 4.339 4.269 0.243 1.00 0.00 N ATOM 309 CA VAL A 22 5.011 5.540 -0.159 1.00 0.00 C ATOM 310 C VAL A 22 6.347 5.722 0.573 1.00 0.00 C ATOM 311 O VAL A 22 7.329 6.149 -0.002 1.00 0.00 O ATOM 312 CB VAL A 22 4.033 6.631 0.260 1.00 0.00 C ATOM 313 CG1 VAL A 22 4.642 8.006 -0.021 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.729 6.477 -0.525 1.00 0.00 C ATOM 0 H VAL A 22 3.481 4.387 0.782 1.00 0.00 H new ATOM 0 HA VAL A 22 5.242 5.558 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 22 3.827 6.541 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.940 8.783 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.568 8.116 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.852 8.100 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.030 7.257 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.934 6.564 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.293 5.500 -0.318 1.00 0.00 H new ATOM 324 N ALA A 23 6.377 5.441 1.846 1.00 0.00 N ATOM 325 CA ALA A 23 7.632 5.638 2.635 1.00 0.00 C ATOM 326 C ALA A 23 8.781 4.756 2.136 1.00 0.00 C ATOM 327 O ALA A 23 9.919 5.180 2.101 1.00 0.00 O ATOM 328 CB ALA A 23 7.255 5.257 4.066 1.00 0.00 C ATOM 0 H ALA A 23 5.585 5.082 2.379 1.00 0.00 H new ATOM 0 HA ALA A 23 7.992 6.663 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.123 5.374 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.452 5.905 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.921 4.220 4.090 1.00 0.00 H new ATOM 334 N CYS A 24 8.514 3.538 1.767 1.00 0.00 N ATOM 335 CA CYS A 24 9.632 2.659 1.297 1.00 0.00 C ATOM 336 C CYS A 24 9.161 1.677 0.220 1.00 0.00 C ATOM 337 O CYS A 24 9.799 0.675 -0.036 1.00 0.00 O ATOM 338 CB CYS A 24 10.088 1.907 2.548 1.00 0.00 C ATOM 339 SG CYS A 24 8.783 0.773 3.082 1.00 0.00 S ATOM 0 H CYS A 24 7.587 3.112 1.767 1.00 0.00 H new ATOM 0 HA CYS A 24 10.435 3.239 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.003 1.352 2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.319 2.613 3.345 1.00 0.00 H new ATOM 344 N GLU A 25 8.064 1.970 -0.417 1.00 0.00 N ATOM 345 CA GLU A 25 7.538 1.073 -1.495 1.00 0.00 C ATOM 346 C GLU A 25 7.641 -0.401 -1.106 1.00 0.00 C ATOM 347 O GLU A 25 8.624 -1.062 -1.379 1.00 0.00 O ATOM 348 CB GLU A 25 8.417 1.364 -2.711 1.00 0.00 C ATOM 349 CG GLU A 25 7.959 0.503 -3.889 1.00 0.00 C ATOM 350 CD GLU A 25 8.812 0.822 -5.118 1.00 0.00 C ATOM 351 OE1 GLU A 25 9.481 1.841 -5.101 1.00 0.00 O ATOM 352 OE2 GLU A 25 8.780 0.041 -6.055 1.00 0.00 O ATOM 0 H GLU A 25 7.499 2.801 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 25 6.481 1.260 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.355 2.420 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.461 1.154 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.047 -0.554 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.907 0.693 -4.104 1.00 0.00 H new ATOM 359 N THR A 26 6.621 -0.926 -0.492 1.00 0.00 N ATOM 360 CA THR A 26 6.641 -2.363 -0.110 1.00 0.00 C ATOM 361 C THR A 26 6.558 -3.222 -1.374 1.00 0.00 C ATOM 362 O THR A 26 6.096 -2.770 -2.403 1.00 0.00 O ATOM 363 CB THR A 26 5.400 -2.564 0.758 1.00 0.00 C ATOM 364 OG1 THR A 26 4.328 -1.795 0.233 1.00 0.00 O ATOM 365 CG2 THR A 26 5.694 -2.119 2.191 1.00 0.00 C ATOM 0 H THR A 26 5.772 -0.421 -0.237 1.00 0.00 H new ATOM 0 HA THR A 26 7.550 -2.645 0.421 1.00 0.00 H new ATOM 0 HB THR A 26 5.127 -3.619 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.490 -2.065 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.806 -2.264 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.516 -2.711 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.970 -1.065 2.195 1.00 0.00 H new ATOM 373 N PRO A 27 7.011 -4.436 -1.254 1.00 0.00 N ATOM 374 CA PRO A 27 6.991 -5.373 -2.404 1.00 0.00 C ATOM 375 C PRO A 27 5.555 -5.824 -2.714 1.00 0.00 C ATOM 376 O PRO A 27 5.312 -6.509 -3.687 1.00 0.00 O ATOM 377 CB PRO A 27 7.841 -6.548 -1.929 1.00 0.00 C ATOM 378 CG PRO A 27 7.798 -6.487 -0.434 1.00 0.00 C ATOM 379 CD PRO A 27 7.580 -5.047 -0.049 1.00 0.00 C ATOM 0 HA PRO A 27 7.369 -4.925 -3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.444 -7.495 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.864 -6.468 -2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.995 -7.114 -0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.728 -6.862 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.902 -4.960 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.515 -4.566 0.239 1.00 0.00 H new ATOM 387 N LYS A 28 4.606 -5.460 -1.893 1.00 0.00 N ATOM 388 CA LYS A 28 3.199 -5.887 -2.149 1.00 0.00 C ATOM 389 C LYS A 28 3.105 -7.414 -2.084 1.00 0.00 C ATOM 390 O LYS A 28 2.853 -8.067 -3.076 1.00 0.00 O ATOM 391 CB LYS A 28 2.877 -5.384 -3.558 1.00 0.00 C ATOM 392 CG LYS A 28 1.382 -5.072 -3.663 1.00 0.00 C ATOM 393 CD LYS A 28 0.632 -6.307 -4.168 1.00 0.00 C ATOM 394 CE LYS A 28 -0.043 -5.989 -5.506 1.00 0.00 C ATOM 395 NZ LYS A 28 -0.328 -7.317 -6.115 1.00 0.00 N ATOM 0 H LYS A 28 4.743 -4.888 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 28 2.500 -5.489 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.462 -4.491 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.154 -6.137 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.994 -4.772 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.222 -4.235 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.324 -7.141 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.115 -6.615 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.959 -5.416 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.608 -5.392 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.792 -7.184 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.563 -7.837 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.955 -7.859 -5.487 1.00 0.00 H new ATOM 409 N PRO A 29 3.318 -7.929 -0.904 1.00 0.00 N ATOM 410 CA PRO A 29 3.263 -9.396 -0.687 1.00 0.00 C ATOM 411 C PRO A 29 1.932 -9.964 -1.189 1.00 0.00 C ATOM 412 O PRO A 29 1.877 -11.046 -1.739 1.00 0.00 O ATOM 413 CB PRO A 29 3.377 -9.544 0.829 1.00 0.00 C ATOM 414 CG PRO A 29 4.017 -8.277 1.301 1.00 0.00 C ATOM 415 CD PRO A 29 3.630 -7.198 0.327 1.00 0.00 C ATOM 0 HA PRO A 29 4.045 -9.934 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.397 -9.684 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.980 -10.412 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.680 -8.027 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.101 -8.386 1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.771 -6.629 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.442 -6.487 0.175 1.00 0.00 H new ATOM 423 N GLY A 30 0.860 -9.246 -0.999 1.00 0.00 N ATOM 424 CA GLY A 30 -0.465 -9.750 -1.462 1.00 0.00 C ATOM 425 C GLY A 30 -1.134 -10.531 -0.328 1.00 0.00 C ATOM 426 O GLY A 30 -1.249 -10.052 0.782 1.00 0.00 O ATOM 0 H GLY A 30 0.843 -8.333 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.097 -8.916 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.338 -10.391 -2.335 1.00 0.00 H new ATOM 430 N THR A 31 -1.572 -11.731 -0.597 1.00 0.00 N ATOM 431 CA THR A 31 -2.230 -12.542 0.470 1.00 0.00 C ATOM 432 C THR A 31 -1.655 -13.961 0.483 1.00 0.00 C ATOM 433 O THR A 31 -1.124 -14.435 -0.502 1.00 0.00 O ATOM 434 CB THR A 31 -3.712 -12.565 0.092 1.00 0.00 C ATOM 435 OG1 THR A 31 -3.881 -13.298 -1.114 1.00 0.00 O ATOM 436 CG2 THR A 31 -4.208 -11.134 -0.105 1.00 0.00 C ATOM 0 H THR A 31 -1.503 -12.185 -1.508 1.00 0.00 H new ATOM 0 HA THR A 31 -2.071 -12.126 1.465 1.00 0.00 H new ATOM 0 HB THR A 31 -4.285 -13.041 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.830 -13.315 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.264 -11.149 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.077 -10.573 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.637 -10.657 -0.902 1.00 0.00 H new ATOM 444 N GLY A 32 -1.754 -14.644 1.592 1.00 0.00 N ATOM 445 CA GLY A 32 -1.209 -16.030 1.663 1.00 0.00 C ATOM 446 C GLY A 32 -1.305 -16.548 3.099 1.00 0.00 C ATOM 447 O GLY A 32 -1.996 -15.989 3.927 1.00 0.00 O ATOM 0 H GLY A 32 -2.188 -14.303 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.765 -16.685 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.171 -16.041 1.331 1.00 0.00 H new ATOM 451 N VAL A 33 -0.611 -17.611 3.401 1.00 0.00 N ATOM 452 CA VAL A 33 -0.657 -18.166 4.784 1.00 0.00 C ATOM 453 C VAL A 33 0.764 -18.437 5.283 1.00 0.00 C ATOM 454 O VAL A 33 1.694 -18.541 4.508 1.00 0.00 O ATOM 455 CB VAL A 33 -1.438 -19.474 4.666 1.00 0.00 C ATOM 456 CG1 VAL A 33 -2.857 -19.180 4.176 1.00 0.00 C ATOM 457 CG2 VAL A 33 -0.735 -20.399 3.671 1.00 0.00 C ATOM 0 H VAL A 33 -0.014 -18.120 2.749 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.123 -17.479 5.490 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.485 -19.958 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.414 -20.113 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.358 -18.521 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.812 -18.695 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.291 -21.332 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.687 -19.915 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.275 -20.610 4.021 1.00 0.00 H new ATOM 467 N LYS A 34 0.938 -18.553 6.570 1.00 0.00 N ATOM 468 CA LYS A 34 2.301 -18.818 7.114 1.00 0.00 C ATOM 469 C LYS A 34 2.697 -20.272 6.853 1.00 0.00 C ATOM 470 O LYS A 34 1.899 -21.178 6.993 1.00 0.00 O ATOM 471 CB LYS A 34 2.185 -18.558 8.616 1.00 0.00 C ATOM 472 CG LYS A 34 1.922 -17.071 8.861 1.00 0.00 C ATOM 473 CD LYS A 34 1.782 -16.819 10.363 1.00 0.00 C ATOM 474 CE LYS A 34 1.532 -15.330 10.610 1.00 0.00 C ATOM 475 NZ LYS A 34 1.399 -15.204 12.088 1.00 0.00 N ATOM 0 H LYS A 34 0.198 -18.476 7.268 1.00 0.00 H new ATOM 0 HA LYS A 34 3.061 -18.191 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.376 -19.155 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.102 -18.863 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.739 -16.475 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.014 -16.761 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.959 -17.409 10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.686 -17.138 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.356 -14.723 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.629 -14.991 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.226 -14.209 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.603 -15.787 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.276 -15.527 12.544 1.00 0.00 H new ATOM 489 N ARG A 35 3.924 -20.506 6.475 1.00 0.00 N ATOM 490 CA ARG A 35 4.366 -21.905 6.208 1.00 0.00 C ATOM 491 C ARG A 35 4.263 -22.747 7.484 1.00 0.00 C ATOM 492 O ARG A 35 4.604 -23.917 7.427 1.00 0.00 O ATOM 493 CB ARG A 35 5.823 -21.787 5.759 1.00 0.00 C ATOM 494 CG ARG A 35 5.883 -21.159 4.363 1.00 0.00 C ATOM 495 CD ARG A 35 7.343 -21.021 3.928 1.00 0.00 C ATOM 496 NE ARG A 35 7.287 -20.400 2.573 1.00 0.00 N ATOM 497 CZ ARG A 35 7.080 -21.133 1.505 1.00 0.00 C ATOM 498 NH1 ARG A 35 6.859 -22.422 1.602 1.00 0.00 N ATOM 499 NH2 ARG A 35 7.080 -20.570 0.327 1.00 0.00 N ATOM 500 OXT ARG A 35 3.842 -22.208 8.494 1.00 0.00 O ATOM 0 H ARG A 35 4.639 -19.791 6.340 1.00 0.00 H new ATOM 0 HA ARG A 35 3.748 -22.394 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.384 -21.177 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.291 -22.771 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.337 -21.778 3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.401 -20.181 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.905 -20.398 4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.839 -21.991 3.897 1.00 0.00 H new ATOM 0 HE ARG A 35 7.411 -19.392 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.846 -22.870 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.700 -22.977 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.240 -19.566 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.920 -21.134 -0.508 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.631 0.880 4.429 1.00 0.00 ZN