USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 253 hydrogens (4 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 CYS SG : rot 150:sc= -23.8! USER MOD Set 1.2: A 36 CYS SG : rot -158:sc= -22.9! USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 33 ASN : amide:sc= -5.48 K(o=-5.5,f=-12!) USER MOD Single : A 35 TYR OH : rot 136:sc= -5.53! USER MOD ----------------------------------------------------------------- HETATM 1 C 4LT A 1 -2.335 -2.013 -1.113 1.00 62.44 C HETATM 2 O 4LT A 1 -1.170 -2.405 -1.176 1.00 33.05 O HETATM 3 CA 4LT A 1 -2.732 -1.232 0.115 1.00 71.20 C HETATM 4 CB 4LT A 1 -3.573 -2.113 1.029 1.00 75.52 C HETATM 5 F 4LT A 1 -1.588 -0.821 0.793 1.00 1.41 F ATOM 10 N GLY A 2 -3.230 -2.250 -2.068 1.00 64.30 N ATOM 11 CA GLY A 2 -2.866 -3.000 -3.256 1.00 43.12 C ATOM 12 C GLY A 2 -2.744 -2.118 -4.483 1.00 71.23 C ATOM 13 O GLY A 2 -1.766 -1.386 -4.637 1.00 23.52 O ATOM 0 H GLY A 2 -4.200 -1.936 -2.040 1.00 64.30 H new ATOM 0 HA2 GLY A 2 -1.919 -3.511 -3.084 1.00 43.12 H new ATOM 0 HA3 GLY A 2 -3.615 -3.771 -3.439 1.00 43.12 H new ATOM 17 N CYS A 3 -3.739 -2.188 -5.361 1.00 73.00 N ATOM 18 CA CYS A 3 -3.740 -1.392 -6.582 1.00 65.04 C ATOM 19 C CYS A 3 -4.953 -0.468 -6.629 1.00 2.31 C ATOM 20 O CYS A 3 -5.842 -0.635 -7.464 1.00 62.43 O ATOM 21 CB CYS A 3 -3.732 -2.304 -7.811 1.00 33.34 C ATOM 22 SG CYS A 3 -2.491 -3.636 -7.740 1.00 52.03 S ATOM 0 H CYS A 3 -4.556 -2.789 -5.249 1.00 73.00 H new ATOM 0 HA CYS A 3 -2.838 -0.779 -6.586 1.00 65.04 H new ATOM 0 HB2 CYS A 3 -4.720 -2.749 -7.927 1.00 33.34 H new ATOM 0 HB3 CYS A 3 -3.549 -1.698 -8.699 1.00 33.34 H new ATOM 27 N ILE A 4 -4.982 0.507 -5.727 1.00 4.43 N ATOM 28 CA ILE A 4 -6.084 1.459 -5.666 1.00 32.32 C ATOM 29 C ILE A 4 -7.426 0.757 -5.843 1.00 34.23 C ATOM 30 O ILE A 4 -8.371 1.328 -6.389 1.00 51.11 O ATOM 31 CB ILE A 4 -5.944 2.553 -6.741 1.00 31.41 C ATOM 32 CG1 ILE A 4 -6.072 1.944 -8.139 1.00 30.32 C ATOM 33 CG2 ILE A 4 -4.613 3.275 -6.592 1.00 33.45 C ATOM 34 CD1 ILE A 4 -6.224 2.975 -9.235 1.00 74.42 C ATOM 0 H ILE A 4 -4.255 0.658 -5.028 1.00 4.43 H new ATOM 0 HA ILE A 4 -6.046 1.923 -4.681 1.00 32.32 H new ATOM 0 HB ILE A 4 -6.746 3.279 -6.606 1.00 31.41 H new ATOM 0 HG12 ILE A 4 -5.191 1.335 -8.343 1.00 30.32 H new ATOM 0 HG13 ILE A 4 -6.933 1.276 -8.158 1.00 30.32 H new ATOM 0 HG21 ILE A 4 -4.529 4.045 -7.359 1.00 33.45 H new ATOM 0 HG22 ILE A 4 -4.558 3.737 -5.606 1.00 33.45 H new ATOM 0 HG23 ILE A 4 -3.797 2.561 -6.704 1.00 33.45 H new ATOM 0 HD11 ILE A 4 -6.309 2.472 -10.198 1.00 74.42 H new ATOM 0 HD12 ILE A 4 -7.120 3.568 -9.055 1.00 74.42 H new ATOM 0 HD13 ILE A 4 -5.352 3.629 -9.243 1.00 74.42 H new ATOM 46 N LEU A 5 -7.505 -0.484 -5.376 1.00 25.42 N ATOM 47 CA LEU A 5 -8.732 -1.265 -5.480 1.00 74.23 C ATOM 48 C LEU A 5 -8.876 -2.215 -4.295 1.00 54.42 C ATOM 49 O LEU A 5 -9.681 -3.145 -4.327 1.00 11.54 O ATOM 50 CB LEU A 5 -8.746 -2.058 -6.788 1.00 71.23 C ATOM 51 CG LEU A 5 -9.841 -1.685 -7.788 1.00 52.21 C ATOM 52 CD1 LEU A 5 -11.205 -1.693 -7.114 1.00 65.13 C ATOM 53 CD2 LEU A 5 -9.558 -0.323 -8.406 1.00 23.32 C ATOM 0 H LEU A 5 -6.733 -0.971 -4.921 1.00 25.42 H new ATOM 0 HA LEU A 5 -9.575 -0.574 -5.472 1.00 74.23 H new ATOM 0 HB2 LEU A 5 -7.779 -1.933 -7.275 1.00 71.23 H new ATOM 0 HB3 LEU A 5 -8.847 -3.116 -6.547 1.00 71.23 H new ATOM 0 HG LEU A 5 -9.847 -2.429 -8.584 1.00 52.21 H new ATOM 0 HD11 LEU A 5 -11.972 -1.425 -7.841 1.00 65.13 H new ATOM 0 HD12 LEU A 5 -11.410 -2.688 -6.720 1.00 65.13 H new ATOM 0 HD13 LEU A 5 -11.212 -0.971 -6.297 1.00 65.13 H new ATOM 0 HD21 LEU A 5 -10.348 -0.074 -9.115 1.00 23.32 H new ATOM 0 HD22 LEU A 5 -9.524 0.433 -7.621 1.00 23.32 H new ATOM 0 HD23 LEU A 5 -8.600 -0.351 -8.925 1.00 23.32 H new ATOM 65 N ASN A 6 -8.092 -1.972 -3.250 1.00 41.42 N ATOM 66 CA ASN A 6 -8.133 -2.804 -2.053 1.00 73.25 C ATOM 67 C ASN A 6 -7.756 -4.246 -2.380 1.00 51.15 C ATOM 68 O ASN A 6 -8.536 -4.981 -2.985 1.00 43.20 O ATOM 69 CB ASN A 6 -9.527 -2.760 -1.424 1.00 73.22 C ATOM 70 CG ASN A 6 -9.577 -1.881 -0.189 1.00 63.24 C ATOM 71 OD1 ASN A 6 -8.818 -2.081 0.759 1.00 4.10 O ATOM 72 ND2 ASN A 6 -10.474 -0.902 -0.196 1.00 45.10 N ATOM 0 H ASN A 6 -7.420 -1.205 -3.208 1.00 41.42 H new ATOM 0 HA ASN A 6 -7.408 -2.410 -1.341 1.00 73.25 H new ATOM 0 HB2 ASN A 6 -10.243 -2.391 -2.159 1.00 73.22 H new ATOM 0 HB3 ASN A 6 -9.835 -3.771 -1.159 1.00 73.22 H new ATOM 0 HD21 ASN A 6 -10.554 -0.278 0.607 1.00 45.10 H new ATOM 0 HD22 ASN A 6 -11.083 -0.774 -1.004 1.00 45.10 H new ATOM 79 N GLY A 7 -6.554 -4.644 -1.975 1.00 43.14 N ATOM 80 CA GLY A 7 -6.094 -5.996 -2.234 1.00 1.14 C ATOM 81 C GLY A 7 -4.787 -6.308 -1.532 1.00 43.53 C ATOM 82 O GLY A 7 -4.530 -7.454 -1.164 1.00 12.22 O ATOM 0 H GLY A 7 -5.891 -4.055 -1.472 1.00 43.14 H new ATOM 0 HA2 GLY A 7 -6.856 -6.704 -1.908 1.00 1.14 H new ATOM 0 HA3 GLY A 7 -5.968 -6.134 -3.308 1.00 1.14 H new ATOM 86 N ARG A 8 -3.957 -5.286 -1.349 1.00 12.54 N ATOM 87 CA ARG A 8 -2.668 -5.457 -0.690 1.00 11.24 C ATOM 88 C ARG A 8 -1.641 -6.049 -1.650 1.00 42.11 C ATOM 89 O ARG A 8 -0.458 -5.709 -1.599 1.00 72.02 O ATOM 90 CB ARG A 8 -2.814 -6.359 0.537 1.00 13.23 C ATOM 91 CG ARG A 8 -4.055 -6.066 1.364 1.00 14.43 C ATOM 92 CD ARG A 8 -3.817 -6.336 2.842 1.00 41.53 C ATOM 93 NE ARG A 8 -3.645 -5.101 3.603 1.00 62.12 N ATOM 94 CZ ARG A 8 -3.409 -5.070 4.910 1.00 60.33 C ATOM 95 NH1 ARG A 8 -3.317 -6.200 5.597 1.00 73.40 N ATOM 96 NH2 ARG A 8 -3.264 -3.907 5.532 1.00 62.23 N ATOM 0 H ARG A 8 -4.154 -4.331 -1.648 1.00 12.54 H new ATOM 0 HA ARG A 8 -2.318 -4.475 -0.371 1.00 11.24 H new ATOM 0 HB2 ARG A 8 -2.842 -7.399 0.212 1.00 13.23 H new ATOM 0 HB3 ARG A 8 -1.932 -6.246 1.168 1.00 13.23 H new ATOM 0 HG2 ARG A 8 -4.348 -5.025 1.226 1.00 14.43 H new ATOM 0 HG3 ARG A 8 -4.883 -6.680 1.010 1.00 14.43 H new ATOM 0 HD2 ARG A 8 -4.658 -6.898 3.248 1.00 41.53 H new ATOM 0 HD3 ARG A 8 -2.931 -6.960 2.958 1.00 41.53 H new ATOM 0 HE ARG A 8 -3.710 -4.214 3.104 1.00 62.12 H new ATOM 0 HH11 ARG A 8 -3.427 -7.096 5.122 1.00 73.40 H new ATOM 0 HH12 ARG A 8 -3.136 -6.173 6.600 1.00 73.40 H new ATOM 0 HH21 ARG A 8 -3.334 -3.035 5.007 1.00 62.23 H new ATOM 0 HH22 ARG A 8 -3.083 -3.884 6.536 1.00 62.23 H new ATOM 110 N THR A 9 -2.100 -6.938 -2.526 1.00 12.34 N ATOM 111 CA THR A 9 -1.222 -7.579 -3.496 1.00 51.43 C ATOM 112 C THR A 9 -0.228 -8.507 -2.809 1.00 63.41 C ATOM 113 O THR A 9 0.429 -8.123 -1.841 1.00 52.33 O ATOM 114 CB THR A 9 -0.446 -6.538 -4.325 1.00 54.44 C ATOM 115 OG1 THR A 9 -1.124 -5.277 -4.287 1.00 12.23 O ATOM 116 CG2 THR A 9 -0.299 -6.996 -5.768 1.00 52.25 C ATOM 0 H THR A 9 -3.076 -7.230 -2.583 1.00 12.34 H new ATOM 0 HA THR A 9 -1.859 -8.162 -4.162 1.00 51.43 H new ATOM 0 HB THR A 9 0.548 -6.429 -3.891 1.00 54.44 H new ATOM 0 HG1 THR A 9 -0.623 -4.620 -4.815 1.00 12.23 H new ATOM 0 HG21 THR A 9 0.252 -6.245 -6.334 1.00 52.25 H new ATOM 0 HG22 THR A 9 0.243 -7.941 -5.796 1.00 52.25 H new ATOM 0 HG23 THR A 9 -1.286 -7.130 -6.209 1.00 52.25 H new ATOM 124 N ASP A 10 -0.121 -9.731 -3.315 1.00 51.14 N ATOM 125 CA ASP A 10 0.795 -10.715 -2.751 1.00 5.32 C ATOM 126 C ASP A 10 0.637 -10.798 -1.236 1.00 24.22 C ATOM 127 O ASP A 10 1.421 -10.214 -0.486 1.00 62.50 O ATOM 128 CB ASP A 10 2.240 -10.360 -3.107 1.00 22.44 C ATOM 129 CG ASP A 10 3.247 -11.200 -2.344 1.00 53.43 C ATOM 130 OD1 ASP A 10 3.356 -12.408 -2.640 1.00 10.22 O ATOM 131 OD2 ASP A 10 3.924 -10.648 -1.452 1.00 24.54 O ATOM 0 H ASP A 10 -0.658 -10.065 -4.115 1.00 51.14 H new ATOM 0 HA ASP A 10 0.552 -11.688 -3.177 1.00 5.32 H new ATOM 0 HB2 ASP A 10 2.392 -10.499 -4.177 1.00 22.44 H new ATOM 0 HB3 ASP A 10 2.415 -9.305 -2.894 1.00 22.44 H new ATOM 136 N LEU A 11 -0.381 -11.526 -0.792 1.00 32.12 N ATOM 137 CA LEU A 11 -0.643 -11.685 0.634 1.00 33.54 C ATOM 138 C LEU A 11 -0.824 -13.157 0.994 1.00 52.22 C ATOM 139 O LEU A 11 0.080 -13.789 1.538 1.00 70.11 O ATOM 140 CB LEU A 11 -1.889 -10.894 1.036 1.00 52.24 C ATOM 141 CG LEU A 11 -2.405 -11.128 2.456 1.00 71.42 C ATOM 142 CD1 LEU A 11 -2.295 -9.856 3.281 1.00 54.54 C ATOM 143 CD2 LEU A 11 -3.844 -11.624 2.426 1.00 65.24 C ATOM 0 H LEU A 11 -1.039 -12.016 -1.399 1.00 32.12 H new ATOM 0 HA LEU A 11 0.217 -11.299 1.181 1.00 33.54 H new ATOM 0 HB2 LEU A 11 -1.673 -9.832 0.920 1.00 52.24 H new ATOM 0 HB3 LEU A 11 -2.689 -11.135 0.336 1.00 52.24 H new ATOM 0 HG LEU A 11 -1.787 -11.894 2.924 1.00 71.42 H new ATOM 0 HD11 LEU A 11 -2.667 -10.042 4.288 1.00 54.54 H new ATOM 0 HD12 LEU A 11 -1.252 -9.544 3.331 1.00 54.54 H new ATOM 0 HD13 LEU A 11 -2.887 -9.068 2.816 1.00 54.54 H new ATOM 0 HD21 LEU A 11 -4.195 -11.785 3.445 1.00 65.24 H new ATOM 0 HD22 LEU A 11 -4.475 -10.881 1.938 1.00 65.24 H new ATOM 0 HD23 LEU A 11 -3.894 -12.562 1.873 1.00 65.24 H new ATOM 155 N GLY A 12 -1.999 -13.697 0.683 1.00 11.44 N ATOM 156 CA GLY A 12 -2.277 -15.090 0.979 1.00 4.01 C ATOM 157 C GLY A 12 -1.896 -16.012 -0.162 1.00 41.24 C ATOM 158 O GLY A 12 -0.762 -15.985 -0.641 1.00 44.23 O ATOM 0 H GLY A 12 -2.763 -13.194 0.231 1.00 11.44 H new ATOM 0 HA2 GLY A 12 -1.732 -15.383 1.876 1.00 4.01 H new ATOM 0 HA3 GLY A 12 -3.338 -15.207 1.198 1.00 4.01 H new ATOM 162 N THR A 13 -2.846 -16.833 -0.600 1.00 43.22 N ATOM 163 CA THR A 13 -2.604 -17.769 -1.690 1.00 64.23 C ATOM 164 C THR A 13 -2.302 -17.033 -2.991 1.00 34.12 C ATOM 165 O THR A 13 -1.731 -17.604 -3.921 1.00 53.42 O ATOM 166 CB THR A 13 -3.811 -18.701 -1.909 1.00 24.01 C ATOM 167 OG1 THR A 13 -4.947 -17.940 -2.332 1.00 50.42 O ATOM 168 CG2 THR A 13 -4.148 -19.458 -0.633 1.00 63.12 C ATOM 0 H THR A 13 -3.790 -16.868 -0.216 1.00 43.22 H new ATOM 0 HA THR A 13 -1.739 -18.368 -1.405 1.00 64.23 H new ATOM 0 HB THR A 13 -3.549 -19.423 -2.683 1.00 24.01 H new ATOM 0 HG1 THR A 13 -5.709 -18.540 -2.471 1.00 50.42 H new ATOM 0 HG21 THR A 13 -5.003 -20.110 -0.812 1.00 63.12 H new ATOM 0 HG22 THR A 13 -3.291 -20.059 -0.329 1.00 63.12 H new ATOM 0 HG23 THR A 13 -4.392 -18.748 0.158 1.00 63.12 H new ATOM 176 N LEU A 14 -2.689 -15.763 -3.049 1.00 63.55 N ATOM 177 CA LEU A 14 -2.459 -14.948 -4.237 1.00 41.01 C ATOM 178 C LEU A 14 -0.986 -14.573 -4.364 1.00 22.05 C ATOM 179 O LEU A 14 -0.549 -14.067 -5.398 1.00 54.13 O ATOM 180 CB LEU A 14 -3.316 -13.682 -4.184 1.00 74.35 C ATOM 181 CG LEU A 14 -3.211 -12.749 -5.391 1.00 64.32 C ATOM 182 CD1 LEU A 14 -2.037 -11.796 -5.228 1.00 23.31 C ATOM 183 CD2 LEU A 14 -3.073 -13.553 -6.676 1.00 42.22 C ATOM 0 H LEU A 14 -3.163 -15.276 -2.288 1.00 63.55 H new ATOM 0 HA LEU A 14 -2.742 -15.535 -5.111 1.00 41.01 H new ATOM 0 HB2 LEU A 14 -4.359 -13.978 -4.068 1.00 74.35 H new ATOM 0 HB3 LEU A 14 -3.043 -13.120 -3.291 1.00 74.35 H new ATOM 0 HG LEU A 14 -4.126 -12.159 -5.451 1.00 64.32 H new ATOM 0 HD11 LEU A 14 -1.978 -11.140 -6.096 1.00 23.31 H new ATOM 0 HD12 LEU A 14 -2.177 -11.196 -4.329 1.00 23.31 H new ATOM 0 HD13 LEU A 14 -1.113 -12.368 -5.142 1.00 23.31 H new ATOM 0 HD21 LEU A 14 -3.000 -12.873 -7.525 1.00 42.22 H new ATOM 0 HD22 LEU A 14 -2.175 -14.168 -6.625 1.00 42.22 H new ATOM 0 HD23 LEU A 14 -3.946 -14.194 -6.799 1.00 42.22 H new ATOM 195 N LEU A 15 -0.223 -14.826 -3.306 1.00 34.25 N ATOM 196 CA LEU A 15 1.202 -14.518 -3.298 1.00 43.53 C ATOM 197 C LEU A 15 1.856 -14.934 -4.612 1.00 3.10 C ATOM 198 O LEU A 15 2.794 -14.290 -5.082 1.00 43.22 O ATOM 199 CB LEU A 15 1.891 -15.221 -2.127 1.00 73.03 C ATOM 200 CG LEU A 15 2.281 -16.681 -2.358 1.00 25.35 C ATOM 201 CD1 LEU A 15 3.290 -17.135 -1.313 1.00 53.03 C ATOM 202 CD2 LEU A 15 1.049 -17.573 -2.334 1.00 72.33 C ATOM 0 H LEU A 15 -0.568 -15.244 -2.442 1.00 34.25 H new ATOM 0 HA LEU A 15 1.314 -13.440 -3.182 1.00 43.53 H new ATOM 0 HB2 LEU A 15 2.791 -14.661 -1.871 1.00 73.03 H new ATOM 0 HB3 LEU A 15 1.230 -15.175 -1.261 1.00 73.03 H new ATOM 0 HG LEU A 15 2.744 -16.762 -3.341 1.00 25.35 H new ATOM 0 HD11 LEU A 15 3.556 -18.177 -1.493 1.00 53.03 H new ATOM 0 HD12 LEU A 15 4.184 -16.515 -1.378 1.00 53.03 H new ATOM 0 HD13 LEU A 15 2.853 -17.039 -0.319 1.00 53.03 H new ATOM 0 HD21 LEU A 15 1.346 -18.608 -2.500 1.00 72.33 H new ATOM 0 HD22 LEU A 15 0.557 -17.488 -1.365 1.00 72.33 H new ATOM 0 HD23 LEU A 15 0.360 -17.263 -3.119 1.00 72.33 H new ATOM 214 N PHE A 16 1.353 -16.014 -5.201 1.00 45.20 N ATOM 215 CA PHE A 16 1.888 -16.516 -6.462 1.00 12.24 C ATOM 216 C PHE A 16 0.884 -17.437 -7.149 1.00 42.35 C ATOM 217 O PHE A 16 -0.193 -17.707 -6.617 1.00 43.44 O ATOM 218 CB PHE A 16 3.201 -17.263 -6.222 1.00 4.22 C ATOM 219 CG PHE A 16 4.372 -16.354 -5.977 1.00 12.15 C ATOM 220 CD1 PHE A 16 4.722 -15.388 -6.906 1.00 11.52 C ATOM 221 CD2 PHE A 16 5.121 -16.465 -4.817 1.00 24.43 C ATOM 222 CE1 PHE A 16 5.799 -14.550 -6.683 1.00 32.52 C ATOM 223 CE2 PHE A 16 6.199 -15.631 -4.588 1.00 42.20 C ATOM 224 CZ PHE A 16 6.538 -14.671 -5.522 1.00 74.40 C ATOM 0 H PHE A 16 0.576 -16.558 -4.826 1.00 45.20 H new ATOM 0 HA PHE A 16 2.078 -15.663 -7.113 1.00 12.24 H new ATOM 0 HB2 PHE A 16 3.081 -17.927 -5.366 1.00 4.22 H new ATOM 0 HB3 PHE A 16 3.415 -17.893 -7.086 1.00 4.22 H new ATOM 0 HD1 PHE A 16 4.147 -15.288 -7.815 1.00 11.52 H new ATOM 0 HD2 PHE A 16 4.859 -17.212 -4.083 1.00 24.43 H new ATOM 0 HE1 PHE A 16 6.062 -13.802 -7.416 1.00 32.52 H new ATOM 0 HE2 PHE A 16 6.776 -15.730 -3.680 1.00 42.20 H new ATOM 0 HZ PHE A 16 7.379 -14.017 -5.345 1.00 74.40 H new ATOM 234 N ARG A 17 1.246 -17.915 -8.336 1.00 34.05 N ATOM 235 CA ARG A 17 0.377 -18.804 -9.098 1.00 0.13 C ATOM 236 C ARG A 17 -1.047 -18.259 -9.150 1.00 34.35 C ATOM 237 O ARG A 17 -2.007 -19.014 -9.313 1.00 24.02 O ATOM 238 CB ARG A 17 0.377 -20.204 -8.481 1.00 40.10 C ATOM 239 CG ARG A 17 -0.368 -21.236 -9.312 1.00 41.43 C ATOM 240 CD ARG A 17 -1.491 -21.885 -8.519 1.00 1.22 C ATOM 241 NE ARG A 17 -2.354 -22.706 -9.364 1.00 15.44 N ATOM 242 CZ ARG A 17 -3.569 -23.106 -9.004 1.00 23.35 C ATOM 243 NH1 ARG A 17 -4.060 -22.763 -7.821 1.00 31.21 N ATOM 244 NH2 ARG A 17 -4.294 -23.851 -9.828 1.00 33.44 N ATOM 0 H ARG A 17 2.134 -17.702 -8.790 1.00 34.05 H new ATOM 0 HA ARG A 17 0.762 -18.863 -10.116 1.00 0.13 H new ATOM 0 HB2 ARG A 17 1.408 -20.533 -8.347 1.00 40.10 H new ATOM 0 HB3 ARG A 17 -0.073 -20.155 -7.489 1.00 40.10 H new ATOM 0 HG2 ARG A 17 -0.778 -20.760 -10.203 1.00 41.43 H new ATOM 0 HG3 ARG A 17 0.329 -22.002 -9.652 1.00 41.43 H new ATOM 0 HD2 ARG A 17 -1.066 -22.502 -7.727 1.00 1.22 H new ATOM 0 HD3 ARG A 17 -2.087 -21.111 -8.035 1.00 1.22 H new ATOM 0 HE ARG A 17 -2.005 -22.988 -10.280 1.00 15.44 H new ATOM 0 HH11 ARG A 17 -3.505 -22.191 -7.185 1.00 31.21 H new ATOM 0 HH12 ARG A 17 -4.993 -23.071 -7.547 1.00 31.21 H new ATOM 0 HH21 ARG A 17 -3.919 -24.117 -10.738 1.00 33.44 H new ATOM 0 HH22 ARG A 17 -5.227 -24.158 -9.551 1.00 33.44 H new ATOM 258 N CYS A 18 -1.178 -16.944 -9.009 1.00 31.40 N ATOM 259 CA CYS A 18 -2.484 -16.298 -9.039 1.00 13.34 C ATOM 260 C CYS A 18 -3.562 -17.270 -9.510 1.00 40.22 C ATOM 261 O CYS A 18 -3.647 -17.590 -10.696 1.00 35.33 O ATOM 262 CB CYS A 18 -2.450 -15.073 -9.955 1.00 62.44 C ATOM 263 SG CYS A 18 -1.793 -15.410 -11.621 1.00 2.22 S ATOM 0 H CYS A 18 -0.395 -16.305 -8.873 1.00 31.40 H new ATOM 0 HA CYS A 18 -2.726 -15.978 -8.025 1.00 13.34 H new ATOM 0 HB2 CYS A 18 -3.460 -14.674 -10.048 1.00 62.44 H new ATOM 0 HB3 CYS A 18 -1.843 -14.298 -9.486 1.00 62.44 H new ATOM 268 N ARG A 19 -4.382 -17.735 -8.574 1.00 13.23 N ATOM 269 CA ARG A 19 -5.454 -18.671 -8.893 1.00 2.43 C ATOM 270 C ARG A 19 -6.459 -18.040 -9.852 1.00 43.03 C ATOM 271 O ARG A 19 -7.272 -18.736 -10.461 1.00 1.24 O ATOM 272 CB ARG A 19 -6.165 -19.119 -7.615 1.00 31.41 C ATOM 273 CG ARG A 19 -6.005 -18.149 -6.456 1.00 32.11 C ATOM 274 CD ARG A 19 -4.849 -18.547 -5.551 1.00 74.25 C ATOM 275 NE ARG A 19 -4.851 -19.978 -5.258 1.00 53.14 N ATOM 276 CZ ARG A 19 -3.759 -20.666 -4.946 1.00 4.42 C ATOM 277 NH1 ARG A 19 -2.583 -20.056 -4.886 1.00 24.43 N ATOM 278 NH2 ARG A 19 -3.841 -21.965 -4.692 1.00 72.41 N ATOM 0 H ARG A 19 -4.325 -17.479 -7.588 1.00 13.23 H new ATOM 0 HA ARG A 19 -5.011 -19.541 -9.379 1.00 2.43 H new ATOM 0 HB2 ARG A 19 -7.227 -19.247 -7.826 1.00 31.41 H new ATOM 0 HB3 ARG A 19 -5.779 -20.094 -7.317 1.00 31.41 H new ATOM 0 HG2 ARG A 19 -5.837 -17.144 -6.842 1.00 32.11 H new ATOM 0 HG3 ARG A 19 -6.928 -18.117 -5.877 1.00 32.11 H new ATOM 0 HD2 ARG A 19 -3.906 -18.276 -6.026 1.00 74.25 H new ATOM 0 HD3 ARG A 19 -4.909 -17.986 -4.618 1.00 74.25 H new ATOM 0 HE ARG A 19 -5.740 -20.476 -5.295 1.00 53.14 H new ATOM 0 HH11 ARG A 19 -2.516 -19.057 -5.080 1.00 24.43 H new ATOM 0 HH12 ARG A 19 -1.745 -20.586 -4.646 1.00 24.43 H new ATOM 0 HH21 ARG A 19 -4.744 -22.437 -4.736 1.00 72.41 H new ATOM 0 HH22 ARG A 19 -3.001 -22.492 -4.453 1.00 72.41 H new ATOM 292 N ARG A 20 -6.396 -16.719 -9.982 1.00 14.21 N ATOM 293 CA ARG A 20 -7.302 -15.994 -10.866 1.00 22.33 C ATOM 294 C ARG A 20 -7.194 -14.489 -10.639 1.00 64.25 C ATOM 295 O ARG A 20 -6.948 -14.035 -9.522 1.00 31.44 O ATOM 296 CB ARG A 20 -8.744 -16.452 -10.640 1.00 62.43 C ATOM 297 CG ARG A 20 -9.766 -15.665 -11.444 1.00 3.33 C ATOM 298 CD ARG A 20 -10.785 -16.582 -12.101 1.00 63.32 C ATOM 299 NE ARG A 20 -10.183 -17.411 -13.143 1.00 14.31 N ATOM 300 CZ ARG A 20 -9.926 -16.975 -14.371 1.00 70.01 C ATOM 301 NH1 ARG A 20 -10.215 -15.726 -14.709 1.00 75.23 N ATOM 302 NH2 ARG A 20 -9.377 -17.789 -15.264 1.00 34.23 N ATOM 0 H ARG A 20 -5.728 -16.129 -9.487 1.00 14.21 H new ATOM 0 HA ARG A 20 -7.016 -16.211 -11.895 1.00 22.33 H new ATOM 0 HB2 ARG A 20 -8.826 -17.508 -10.899 1.00 62.43 H new ATOM 0 HB3 ARG A 20 -8.982 -16.364 -9.580 1.00 62.43 H new ATOM 0 HG2 ARG A 20 -10.279 -14.959 -10.791 1.00 3.33 H new ATOM 0 HG3 ARG A 20 -9.256 -15.079 -12.209 1.00 3.33 H new ATOM 0 HD2 ARG A 20 -11.237 -17.223 -11.344 1.00 63.32 H new ATOM 0 HD3 ARG A 20 -11.587 -15.983 -12.532 1.00 63.32 H new ATOM 0 HE ARG A 20 -9.947 -18.377 -12.915 1.00 14.31 H new ATOM 0 HH11 ARG A 20 -10.636 -15.097 -14.025 1.00 75.23 H new ATOM 0 HH12 ARG A 20 -10.016 -15.394 -15.653 1.00 75.23 H new ATOM 0 HH21 ARG A 20 -9.152 -18.750 -15.007 1.00 34.23 H new ATOM 0 HH22 ARG A 20 -9.180 -17.453 -16.207 1.00 34.23 H new ATOM 316 N ASP A 21 -7.378 -13.721 -11.707 1.00 70.05 N ATOM 317 CA ASP A 21 -7.302 -12.267 -11.626 1.00 2.01 C ATOM 318 C ASP A 21 -8.150 -11.742 -10.471 1.00 65.41 C ATOM 319 O ASP A 21 -7.884 -10.669 -9.931 1.00 1.32 O ATOM 320 CB ASP A 21 -7.763 -11.636 -12.941 1.00 24.22 C ATOM 321 CG ASP A 21 -9.271 -11.645 -13.090 1.00 13.34 C ATOM 322 OD1 ASP A 21 -9.928 -10.748 -12.521 1.00 52.21 O ATOM 323 OD2 ASP A 21 -9.795 -12.549 -13.774 1.00 14.22 O ATOM 0 H ASP A 21 -7.581 -14.081 -12.639 1.00 70.05 H new ATOM 0 HA ASP A 21 -6.263 -11.992 -11.445 1.00 2.01 H new ATOM 0 HB2 ASP A 21 -7.402 -10.609 -12.994 1.00 24.22 H new ATOM 0 HB3 ASP A 21 -7.315 -12.175 -13.776 1.00 24.22 H new ATOM 328 N SER A 22 -9.171 -12.507 -10.099 1.00 12.22 N ATOM 329 CA SER A 22 -10.061 -12.117 -9.011 1.00 52.25 C ATOM 330 C SER A 22 -9.278 -11.895 -7.721 1.00 62.31 C ATOM 331 O SER A 22 -9.694 -11.127 -6.854 1.00 24.14 O ATOM 332 CB SER A 22 -11.133 -13.186 -8.793 1.00 74.04 C ATOM 333 OG SER A 22 -11.975 -13.303 -9.927 1.00 60.15 O ATOM 0 H SER A 22 -9.403 -13.400 -10.534 1.00 12.22 H new ATOM 0 HA SER A 22 -10.544 -11.180 -9.288 1.00 52.25 H new ATOM 0 HB2 SER A 22 -10.658 -14.145 -8.588 1.00 74.04 H new ATOM 0 HB3 SER A 22 -11.730 -12.933 -7.917 1.00 74.04 H new ATOM 0 HG SER A 22 -12.650 -13.994 -9.763 1.00 60.15 H new ATOM 339 N ASP A 23 -8.142 -12.574 -7.602 1.00 71.03 N ATOM 340 CA ASP A 23 -7.299 -12.452 -6.419 1.00 45.20 C ATOM 341 C ASP A 23 -6.577 -11.108 -6.402 1.00 54.42 C ATOM 342 O ASP A 23 -5.899 -10.767 -5.433 1.00 23.22 O ATOM 343 CB ASP A 23 -6.280 -13.592 -6.373 1.00 2.31 C ATOM 344 CG ASP A 23 -6.932 -14.956 -6.488 1.00 5.34 C ATOM 345 OD1 ASP A 23 -7.426 -15.466 -5.460 1.00 41.21 O ATOM 346 OD2 ASP A 23 -6.948 -15.513 -7.605 1.00 11.21 O ATOM 0 H ASP A 23 -7.784 -13.214 -8.311 1.00 71.03 H new ATOM 0 HA ASP A 23 -7.940 -12.511 -5.539 1.00 45.20 H new ATOM 0 HB2 ASP A 23 -5.562 -13.466 -7.183 1.00 2.31 H new ATOM 0 HB3 ASP A 23 -5.720 -13.538 -5.439 1.00 2.31 H new ATOM 351 N CYS A 24 -6.728 -10.348 -7.482 1.00 12.54 N ATOM 352 CA CYS A 24 -6.091 -9.041 -7.593 1.00 22.13 C ATOM 353 C CYS A 24 -7.103 -7.921 -7.370 1.00 73.24 C ATOM 354 O CYS A 24 -8.273 -8.025 -7.741 1.00 22.20 O ATOM 355 CB CYS A 24 -5.435 -8.885 -8.966 1.00 71.52 C ATOM 356 SG CYS A 24 -3.619 -9.026 -8.943 1.00 41.52 S ATOM 0 H CYS A 24 -7.286 -10.615 -8.293 1.00 12.54 H new ATOM 0 HA CYS A 24 -5.324 -8.972 -6.821 1.00 22.13 H new ATOM 0 HB2 CYS A 24 -5.839 -9.642 -9.638 1.00 71.52 H new ATOM 0 HB3 CYS A 24 -5.708 -7.914 -9.379 1.00 71.52 H new ATOM 0 HG CYS A 24 -3.207 -9.510 -10.077 1.00 41.52 H new ATOM 361 N PRO A 25 -6.645 -6.823 -6.751 1.00 63.50 N ATOM 362 CA PRO A 25 -7.493 -5.663 -6.466 1.00 13.40 C ATOM 363 C PRO A 25 -7.883 -4.905 -7.731 1.00 35.34 C ATOM 364 O PRO A 25 -8.961 -5.117 -8.285 1.00 70.12 O ATOM 365 CB PRO A 25 -6.611 -4.789 -5.571 1.00 23.44 C ATOM 366 CG PRO A 25 -5.215 -5.170 -5.927 1.00 72.22 C ATOM 367 CD PRO A 25 -5.262 -6.631 -6.282 1.00 13.32 C ATOM 0 HA PRO A 25 -8.437 -5.953 -6.005 1.00 13.40 H new ATOM 0 HB2 PRO A 25 -6.791 -3.729 -5.752 1.00 23.44 H new ATOM 0 HB3 PRO A 25 -6.814 -4.971 -4.516 1.00 23.44 H new ATOM 0 HG2 PRO A 25 -4.850 -4.576 -6.765 1.00 72.22 H new ATOM 0 HG3 PRO A 25 -4.537 -4.993 -5.092 1.00 72.22 H new ATOM 0 HD2 PRO A 25 -4.537 -6.880 -7.057 1.00 13.32 H new ATOM 0 HD3 PRO A 25 -5.038 -7.261 -5.421 1.00 13.32 H new ATOM 375 N GLY A 26 -6.999 -4.021 -8.182 1.00 70.03 N ATOM 376 CA GLY A 26 -7.270 -3.246 -9.379 1.00 2.10 C ATOM 377 C GLY A 26 -6.274 -3.524 -10.488 1.00 33.24 C ATOM 378 O GLY A 26 -6.277 -4.605 -11.077 1.00 15.50 O ATOM 0 H GLY A 26 -6.100 -3.827 -7.740 1.00 70.03 H new ATOM 0 HA2 GLY A 26 -8.276 -3.471 -9.734 1.00 2.10 H new ATOM 0 HA3 GLY A 26 -7.248 -2.184 -9.133 1.00 2.10 H new ATOM 382 N ALA A 27 -5.421 -2.546 -10.774 1.00 21.54 N ATOM 383 CA ALA A 27 -4.415 -2.692 -11.819 1.00 13.42 C ATOM 384 C ALA A 27 -3.893 -4.123 -11.883 1.00 4.33 C ATOM 385 O ALA A 27 -4.360 -4.930 -12.686 1.00 72.13 O ATOM 386 CB ALA A 27 -3.269 -1.719 -11.587 1.00 3.23 C ATOM 0 H ALA A 27 -5.406 -1.645 -10.297 1.00 21.54 H new ATOM 0 HA ALA A 27 -4.884 -2.462 -12.776 1.00 13.42 H new ATOM 0 HB1 ALA A 27 -2.525 -1.839 -12.375 1.00 3.23 H new ATOM 0 HB2 ALA A 27 -3.650 -0.698 -11.600 1.00 3.23 H new ATOM 0 HB3 ALA A 27 -2.809 -1.922 -10.620 1.00 3.23 H new ATOM 392 N CYS A 28 -2.920 -4.431 -11.032 1.00 3.13 N ATOM 393 CA CYS A 28 -2.332 -5.764 -10.992 1.00 21.42 C ATOM 394 C CYS A 28 -3.382 -6.831 -11.291 1.00 44.23 C ATOM 395 O CYS A 28 -4.530 -6.724 -10.861 1.00 12.52 O ATOM 396 CB CYS A 28 -1.700 -6.025 -9.623 1.00 71.31 C ATOM 397 SG CYS A 28 -2.626 -5.309 -8.228 1.00 14.52 S ATOM 0 H CYS A 28 -2.522 -3.775 -10.360 1.00 3.13 H new ATOM 0 HA CYS A 28 -1.558 -5.815 -11.758 1.00 21.42 H new ATOM 0 HB2 CYS A 28 -1.614 -7.101 -9.474 1.00 71.31 H new ATOM 0 HB3 CYS A 28 -0.688 -5.621 -9.619 1.00 71.31 H new ATOM 402 N ILE A 29 -2.979 -7.858 -12.031 1.00 64.22 N ATOM 403 CA ILE A 29 -3.883 -8.944 -12.387 1.00 34.22 C ATOM 404 C ILE A 29 -3.122 -10.250 -12.591 1.00 11.35 C ATOM 405 O ILE A 29 -1.904 -10.249 -12.770 1.00 21.30 O ATOM 406 CB ILE A 29 -4.676 -8.620 -13.667 1.00 31.20 C ATOM 407 CG1 ILE A 29 -3.745 -8.052 -14.740 1.00 25.33 C ATOM 408 CG2 ILE A 29 -5.799 -7.641 -13.361 1.00 13.22 C ATOM 409 CD1 ILE A 29 -4.458 -7.663 -16.015 1.00 72.55 C ATOM 0 H ILE A 29 -2.032 -7.961 -12.396 1.00 64.22 H new ATOM 0 HA ILE A 29 -4.580 -9.059 -11.557 1.00 34.22 H new ATOM 0 HB ILE A 29 -5.117 -9.542 -14.046 1.00 31.20 H new ATOM 0 HG12 ILE A 29 -3.233 -7.178 -14.339 1.00 25.33 H new ATOM 0 HG13 ILE A 29 -2.979 -8.791 -14.973 1.00 25.33 H new ATOM 0 HG21 ILE A 29 -6.350 -7.422 -14.276 1.00 13.22 H new ATOM 0 HG22 ILE A 29 -6.474 -8.080 -12.627 1.00 13.22 H new ATOM 0 HG23 ILE A 29 -5.378 -6.718 -12.961 1.00 13.22 H new ATOM 0 HD11 ILE A 29 -3.736 -7.269 -16.730 1.00 72.55 H new ATOM 0 HD12 ILE A 29 -4.948 -8.539 -16.440 1.00 72.55 H new ATOM 0 HD13 ILE A 29 -5.205 -6.900 -15.796 1.00 72.55 H new ATOM 421 N CYS A 30 -3.848 -11.362 -12.563 1.00 74.12 N ATOM 422 CA CYS A 30 -3.243 -12.676 -12.746 1.00 51.22 C ATOM 423 C CYS A 30 -2.836 -12.889 -14.201 1.00 62.12 C ATOM 424 O CYS A 30 -3.678 -12.883 -15.100 1.00 4.45 O ATOM 425 CB CYS A 30 -4.216 -13.774 -12.311 1.00 41.41 C ATOM 426 SG CYS A 30 -3.731 -15.448 -12.840 1.00 34.44 S ATOM 0 H CYS A 30 -4.857 -11.380 -12.415 1.00 74.12 H new ATOM 0 HA CYS A 30 -2.348 -12.726 -12.125 1.00 51.22 H new ATOM 0 HB2 CYS A 30 -4.303 -13.759 -11.225 1.00 41.41 H new ATOM 0 HB3 CYS A 30 -5.204 -13.549 -12.713 1.00 41.41 H new ATOM 431 N ARG A 31 -1.540 -13.078 -14.425 1.00 65.33 N ATOM 432 CA ARG A 31 -1.020 -13.293 -15.771 1.00 11.34 C ATOM 433 C ARG A 31 -0.121 -14.525 -15.816 1.00 40.32 C ATOM 434 O ARG A 31 0.120 -15.168 -14.796 1.00 20.13 O ATOM 435 CB ARG A 31 -0.242 -12.063 -16.242 1.00 12.31 C ATOM 436 CG ARG A 31 0.979 -11.752 -15.392 1.00 41.12 C ATOM 437 CD ARG A 31 0.632 -10.830 -14.234 1.00 32.34 C ATOM 438 NE ARG A 31 0.048 -9.572 -14.691 1.00 74.30 N ATOM 439 CZ ARG A 31 0.738 -8.627 -15.319 1.00 10.23 C ATOM 440 NH1 ARG A 31 2.030 -8.796 -15.563 1.00 22.14 N ATOM 441 NH2 ARG A 31 0.136 -7.509 -15.704 1.00 74.12 N ATOM 0 H ARG A 31 -0.830 -13.087 -13.692 1.00 65.33 H new ATOM 0 HA ARG A 31 -1.866 -13.457 -16.439 1.00 11.34 H new ATOM 0 HB2 ARG A 31 0.074 -12.217 -17.274 1.00 12.31 H new ATOM 0 HB3 ARG A 31 -0.907 -11.199 -16.237 1.00 12.31 H new ATOM 0 HG2 ARG A 31 1.401 -12.680 -15.006 1.00 41.12 H new ATOM 0 HG3 ARG A 31 1.746 -11.287 -16.011 1.00 41.12 H new ATOM 0 HD2 ARG A 31 -0.068 -11.333 -13.567 1.00 32.34 H new ATOM 0 HD3 ARG A 31 1.531 -10.622 -13.654 1.00 32.34 H new ATOM 0 HE ARG A 31 -0.944 -9.410 -14.518 1.00 74.30 H new ATOM 0 HH11 ARG A 31 2.497 -9.654 -15.268 1.00 22.14 H new ATOM 0 HH12 ARG A 31 2.557 -8.068 -16.046 1.00 22.14 H new ATOM 0 HH21 ARG A 31 -0.858 -7.375 -15.518 1.00 74.12 H new ATOM 0 HH22 ARG A 31 0.667 -6.784 -16.186 1.00 74.12 H new ATOM 455 N GLY A 32 0.372 -14.848 -17.008 1.00 42.51 N ATOM 456 CA GLY A 32 1.238 -16.001 -17.165 1.00 22.42 C ATOM 457 C GLY A 32 2.469 -15.927 -16.283 1.00 13.22 C ATOM 458 O GLY A 32 3.111 -16.941 -16.016 1.00 23.24 O ATOM 0 H GLY A 32 0.187 -14.331 -17.868 1.00 42.51 H new ATOM 0 HA2 GLY A 32 0.679 -16.906 -16.928 1.00 22.42 H new ATOM 0 HA3 GLY A 32 1.546 -16.081 -18.207 1.00 22.42 H new ATOM 462 N ASN A 33 2.799 -14.721 -15.831 1.00 34.33 N ATOM 463 CA ASN A 33 3.962 -14.518 -14.975 1.00 42.23 C ATOM 464 C ASN A 33 3.908 -15.434 -13.756 1.00 42.25 C ATOM 465 O ASN A 33 4.910 -15.630 -13.070 1.00 33.34 O ATOM 466 CB ASN A 33 4.042 -13.057 -14.527 1.00 21.35 C ATOM 467 CG ASN A 33 3.583 -12.867 -13.094 1.00 0.22 C ATOM 468 OD1 ASN A 33 2.447 -12.465 -12.843 1.00 11.44 O ATOM 469 ND2 ASN A 33 4.467 -13.155 -12.146 1.00 63.40 N ATOM 0 H ASN A 33 2.278 -13.870 -16.043 1.00 34.33 H new ATOM 0 HA ASN A 33 4.854 -14.764 -15.552 1.00 42.23 H new ATOM 0 HB2 ASN A 33 5.069 -12.705 -14.627 1.00 21.35 H new ATOM 0 HB3 ASN A 33 3.429 -12.443 -15.187 1.00 21.35 H new ATOM 0 HD21 ASN A 33 4.215 -13.046 -11.164 1.00 63.40 H new ATOM 0 HD22 ASN A 33 5.398 -13.485 -12.400 1.00 63.40 H new ATOM 476 N GLY A 34 2.730 -15.993 -13.495 1.00 5.35 N ATOM 477 CA GLY A 34 2.567 -16.882 -12.359 1.00 43.31 C ATOM 478 C GLY A 34 2.186 -16.141 -11.093 1.00 14.11 C ATOM 479 O GLY A 34 2.567 -16.541 -9.993 1.00 1.44 O ATOM 0 H GLY A 34 1.886 -15.846 -14.049 1.00 5.35 H new ATOM 0 HA2 GLY A 34 1.800 -17.622 -12.588 1.00 43.31 H new ATOM 0 HA3 GLY A 34 3.496 -17.427 -12.192 1.00 43.31 H new ATOM 483 N TYR A 35 1.432 -15.058 -11.248 1.00 2.15 N ATOM 484 CA TYR A 35 1.002 -14.257 -10.108 1.00 2.14 C ATOM 485 C TYR A 35 0.228 -13.025 -10.568 1.00 61.50 C ATOM 486 O TYR A 35 0.270 -12.654 -11.741 1.00 40.32 O ATOM 487 CB TYR A 35 2.211 -13.831 -9.272 1.00 53.53 C ATOM 488 CG TYR A 35 1.925 -12.676 -8.339 1.00 53.42 C ATOM 489 CD1 TYR A 35 1.382 -12.893 -7.079 1.00 1.12 C ATOM 490 CD2 TYR A 35 2.198 -11.367 -8.718 1.00 3.00 C ATOM 491 CE1 TYR A 35 1.119 -11.841 -6.224 1.00 15.44 C ATOM 492 CE2 TYR A 35 1.939 -10.309 -7.869 1.00 4.44 C ATOM 493 CZ TYR A 35 1.399 -10.550 -6.623 1.00 21.52 C ATOM 494 OH TYR A 35 1.139 -9.500 -5.773 1.00 44.42 O ATOM 0 H TYR A 35 1.106 -14.715 -12.152 1.00 2.15 H new ATOM 0 HA TYR A 35 0.342 -14.870 -9.494 1.00 2.14 H new ATOM 0 HB2 TYR A 35 2.556 -14.683 -8.687 1.00 53.53 H new ATOM 0 HB3 TYR A 35 3.025 -13.554 -9.941 1.00 53.53 H new ATOM 0 HD1 TYR A 35 1.162 -13.902 -6.763 1.00 1.12 H new ATOM 0 HD2 TYR A 35 2.620 -11.174 -9.693 1.00 3.00 H new ATOM 0 HE1 TYR A 35 0.696 -12.028 -5.248 1.00 15.44 H new ATOM 0 HE2 TYR A 35 2.158 -9.298 -8.179 1.00 4.44 H new ATOM 0 HH TYR A 35 1.896 -8.877 -5.781 1.00 44.42 H new ATOM 504 N CYS A 36 -0.478 -12.396 -9.635 1.00 52.11 N ATOM 505 CA CYS A 36 -1.263 -11.206 -9.942 1.00 44.01 C ATOM 506 C CYS A 36 -0.355 -10.004 -10.188 1.00 64.41 C ATOM 507 O CYS A 36 -0.274 -9.095 -9.364 1.00 0.22 O ATOM 508 CB CYS A 36 -2.233 -10.900 -8.799 1.00 61.44 C ATOM 509 SG CYS A 36 -3.158 -9.345 -9.006 1.00 10.45 S ATOM 0 H CYS A 36 -0.523 -12.690 -8.659 1.00 52.11 H new ATOM 0 HA CYS A 36 -1.833 -11.402 -10.851 1.00 44.01 H new ATOM 0 HB2 CYS A 36 -2.942 -11.723 -8.708 1.00 61.44 H new ATOM 0 HB3 CYS A 36 -1.674 -10.856 -7.864 1.00 61.44 H new ATOM 0 HG CYS A 36 -3.579 -8.933 -7.847 1.00 10.45 H new ATOM 514 N GLY A 37 0.328 -10.009 -11.329 1.00 54.24 N ATOM 515 CA GLY A 37 1.221 -8.915 -11.664 1.00 55.11 C ATOM 516 C GLY A 37 0.476 -7.626 -11.953 1.00 21.42 C ATOM 517 O GLY A 37 -0.359 -7.573 -12.855 1.00 73.33 O ATOM 0 H GLY A 37 0.279 -10.751 -12.027 1.00 54.24 H new ATOM 0 HA2 GLY A 37 1.916 -8.752 -10.840 1.00 55.11 H new ATOM 0 HA3 GLY A 37 1.817 -9.190 -12.534 1.00 55.11 H new TER 521 GLY A 37