USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 672 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 47 SER OG : rot -117:sc= 0.195 USER MOD Set 1.2: A 50 SER OG : rot -148:sc= -0.874 USER MOD Set 2.1: A 41 SER OG : rot -89:sc= 0.776 USER MOD Set 2.2: A 43 SER OG : rot -47:sc= -2.6! USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 10 SER OG : rot -33:sc= 0.0557! USER MOD Set 4.2: A 14 THR OG1 : rot -70:sc= -4.66! USER MOD Set 5.1: A 12 CYS SG : rot -133:sc= -11.1! USER MOD Set 5.2: A 24 LYS NZ :NH3+ -111:sc= -7.74! (180deg=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 72:sc= 0.121 USER MOD Single : A 13 LYS NZ :NH3+ 133:sc= 0.389 (180deg=-0.824!) USER MOD Single : A 15 TYR OH : rot 165:sc= -6.84! USER MOD Single : A 16 CYS SG : rot -32:sc= -2.11! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 79:sc= 0.995 USER MOD Single : A 20 SER OG : rot 120:sc= -0.106 USER MOD Single : A 22 SER OG : rot -59:sc= 0.393 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 151:sc= -0.285 (180deg=-0.913) USER MOD Single : A 34 GLN : amide:sc= -3.22! K(o=-3.2!,f=-1.6) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -107:sc= -14.3! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 160:sc=1.76e-05 USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= -0.932! (180deg=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.173 -8.375 11.392 1.00 0.00 N ATOM 2 CA GLY A 1 11.035 -7.289 10.437 1.00 0.00 C ATOM 3 C GLY A 1 9.910 -6.337 10.848 1.00 0.00 C ATOM 4 O GLY A 1 8.801 -6.417 10.321 1.00 0.00 O ATOM 0 H1 GLY A 1 11.942 -9.007 11.091 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.392 -7.986 12.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.283 -8.911 11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.974 -6.740 10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.829 -7.695 9.447 1.00 0.00 H new ATOM 8 N GLU A 2 10.235 -5.458 11.784 1.00 0.00 N ATOM 9 CA GLU A 2 9.266 -4.491 12.272 1.00 0.00 C ATOM 10 C GLU A 2 8.858 -3.535 11.149 1.00 0.00 C ATOM 11 O GLU A 2 7.927 -2.747 11.307 1.00 0.00 O ATOM 12 CB GLU A 2 9.816 -3.722 13.475 1.00 0.00 C ATOM 13 CG GLU A 2 9.058 -4.087 14.753 1.00 0.00 C ATOM 14 CD GLU A 2 9.956 -3.944 15.983 1.00 0.00 C ATOM 15 OE1 GLU A 2 11.184 -4.073 15.872 1.00 0.00 O ATOM 16 OE2 GLU A 2 9.335 -3.689 17.084 1.00 0.00 O ATOM 0 H GLU A 2 11.156 -5.395 12.218 1.00 0.00 H new ATOM 0 HA GLU A 2 8.379 -5.031 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.876 -3.945 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.735 -2.650 13.294 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.185 -3.443 14.859 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.692 -5.111 14.683 1.00 0.00 H new ATOM 24 N ALA A 3 9.576 -3.636 10.040 1.00 0.00 N ATOM 25 CA ALA A 3 9.301 -2.790 8.891 1.00 0.00 C ATOM 26 C ALA A 3 8.191 -3.424 8.051 1.00 0.00 C ATOM 27 O ALA A 3 7.305 -2.726 7.559 1.00 0.00 O ATOM 28 CB ALA A 3 10.589 -2.579 8.092 1.00 0.00 C ATOM 0 H ALA A 3 10.348 -4.291 9.913 1.00 0.00 H new ATOM 0 HA ALA A 3 8.952 -1.808 9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.383 -1.944 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.336 -2.100 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.967 -3.543 7.751 1.00 0.00 H new ATOM 34 N VAL A 4 8.275 -4.739 7.912 1.00 0.00 N ATOM 35 CA VAL A 4 7.288 -5.474 7.139 1.00 0.00 C ATOM 36 C VAL A 4 5.896 -4.908 7.427 1.00 0.00 C ATOM 37 O VAL A 4 5.046 -4.862 6.540 1.00 0.00 O ATOM 38 CB VAL A 4 7.399 -6.971 7.439 1.00 0.00 C ATOM 39 CG1 VAL A 4 6.219 -7.448 8.288 1.00 0.00 C ATOM 40 CG2 VAL A 4 7.508 -7.782 6.146 1.00 0.00 C ATOM 0 H VAL A 4 9.011 -5.314 8.321 1.00 0.00 H new ATOM 0 HA VAL A 4 7.472 -5.355 6.071 1.00 0.00 H new ATOM 0 HB VAL A 4 8.311 -7.132 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.322 -8.515 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.206 -6.902 9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.288 -7.267 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.586 -8.842 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.622 -7.613 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.394 -7.469 5.594 1.00 0.00 H new ATOM 50 N ILE A 5 5.707 -4.491 8.670 1.00 0.00 N ATOM 51 CA ILE A 5 4.433 -3.930 9.086 1.00 0.00 C ATOM 52 C ILE A 5 4.478 -2.408 8.937 1.00 0.00 C ATOM 53 O ILE A 5 3.633 -1.822 8.263 1.00 0.00 O ATOM 54 CB ILE A 5 4.076 -4.399 10.498 1.00 0.00 C ATOM 55 CG1 ILE A 5 4.915 -5.613 10.901 1.00 0.00 C ATOM 56 CG2 ILE A 5 2.576 -4.673 10.622 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.401 -5.366 10.634 1.00 0.00 C ATOM 0 H ILE A 5 6.415 -4.530 9.403 1.00 0.00 H new ATOM 0 HA ILE A 5 3.630 -4.290 8.443 1.00 0.00 H new ATOM 0 HB ILE A 5 4.316 -3.596 11.195 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.763 -5.830 11.958 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.583 -6.490 10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.349 -5.005 11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.020 -3.760 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.288 -5.449 9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.975 -6.244 10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.553 -5.174 9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.736 -4.503 11.210 1.00 0.00 H new ATOM 69 N LYS A 6 5.473 -1.812 9.577 1.00 0.00 N ATOM 70 CA LYS A 6 5.640 -0.369 9.523 1.00 0.00 C ATOM 71 C LYS A 6 5.649 0.085 8.062 1.00 0.00 C ATOM 72 O LYS A 6 5.042 1.099 7.720 1.00 0.00 O ATOM 73 CB LYS A 6 6.883 0.056 10.307 1.00 0.00 C ATOM 74 CG LYS A 6 6.575 1.243 11.222 1.00 0.00 C ATOM 75 CD LYS A 6 5.650 0.828 12.368 1.00 0.00 C ATOM 76 CE LYS A 6 6.247 1.216 13.722 1.00 0.00 C ATOM 77 NZ LYS A 6 5.617 0.433 14.809 1.00 0.00 N ATOM 0 H LYS A 6 6.172 -2.302 10.136 1.00 0.00 H new ATOM 0 HA LYS A 6 4.800 0.130 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.246 -0.782 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.680 0.324 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.504 1.645 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.108 2.040 10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.677 1.304 12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.484 -0.249 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.323 1.041 13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.099 2.281 13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.033 0.708 15.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.594 0.621 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.780 -0.581 14.646 1.00 0.00 H new ATOM 90 N VAL A 7 6.344 -0.687 7.240 1.00 0.00 N ATOM 91 CA VAL A 7 6.440 -0.376 5.824 1.00 0.00 C ATOM 92 C VAL A 7 5.039 -0.378 5.210 1.00 0.00 C ATOM 93 O VAL A 7 4.557 0.656 4.751 1.00 0.00 O ATOM 94 CB VAL A 7 7.395 -1.354 5.137 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.624 -2.480 4.445 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.308 -0.626 4.149 1.00 0.00 C ATOM 0 H VAL A 7 6.846 -1.527 7.527 1.00 0.00 H new ATOM 0 HA VAL A 7 6.857 0.621 5.679 1.00 0.00 H new ATOM 0 HB VAL A 7 8.024 -1.803 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.327 -3.161 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.037 -3.026 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.958 -2.056 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.977 -1.344 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.702 -0.136 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.897 0.122 4.681 1.00 0.00 H new ATOM 106 N ILE A 8 4.424 -1.552 5.221 1.00 0.00 N ATOM 107 CA ILE A 8 3.088 -1.703 4.670 1.00 0.00 C ATOM 108 C ILE A 8 2.215 -0.536 5.136 1.00 0.00 C ATOM 109 O ILE A 8 1.515 0.080 4.334 1.00 0.00 O ATOM 110 CB ILE A 8 2.516 -3.078 5.021 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.493 -3.529 3.976 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.931 -3.083 6.435 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.085 -3.463 2.567 1.00 0.00 C ATOM 0 H ILE A 8 4.827 -2.408 5.603 1.00 0.00 H new ATOM 0 HA ILE A 8 3.118 -1.665 3.581 1.00 0.00 H new ATOM 0 HB ILE A 8 3.331 -3.801 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.172 -4.548 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.607 -2.897 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.531 -4.072 6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.713 -2.836 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.132 -2.345 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.338 -3.789 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.383 -2.438 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.956 -4.115 2.508 1.00 0.00 H new ATOM 125 N SER A 9 2.284 -0.267 6.432 1.00 0.00 N ATOM 126 CA SER A 9 1.509 0.815 7.014 1.00 0.00 C ATOM 127 C SER A 9 2.101 2.164 6.602 1.00 0.00 C ATOM 128 O SER A 9 1.463 2.933 5.885 1.00 0.00 O ATOM 129 CB SER A 9 1.461 0.700 8.539 1.00 0.00 C ATOM 130 OG SER A 9 1.858 1.910 9.179 1.00 0.00 O ATOM 0 H SER A 9 2.865 -0.780 7.095 1.00 0.00 H new ATOM 0 HA SER A 9 0.488 0.744 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.450 0.440 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.113 -0.112 8.862 1.00 0.00 H new ATOM 0 HG SER A 9 1.160 2.587 9.060 1.00 0.00 H new ATOM 136 N SER A 10 3.315 2.410 7.074 1.00 0.00 N ATOM 137 CA SER A 10 4.000 3.653 6.763 1.00 0.00 C ATOM 138 C SER A 10 4.164 3.796 5.249 1.00 0.00 C ATOM 139 O SER A 10 3.778 4.812 4.673 1.00 0.00 O ATOM 140 CB SER A 10 5.364 3.717 7.453 1.00 0.00 C ATOM 141 OG SER A 10 5.550 4.942 8.157 1.00 0.00 O ATOM 0 H SER A 10 3.841 1.770 7.669 1.00 0.00 H new ATOM 0 HA SER A 10 3.395 4.479 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.458 2.882 8.147 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.152 3.603 6.709 1.00 0.00 H new ATOM 0 HG SER A 10 5.087 5.665 7.684 1.00 0.00 H new ATOM 147 N ALA A 11 4.736 2.764 4.647 1.00 0.00 N ATOM 148 CA ALA A 11 4.955 2.762 3.211 1.00 0.00 C ATOM 149 C ALA A 11 3.700 3.282 2.507 1.00 0.00 C ATOM 150 O ALA A 11 3.770 4.228 1.725 1.00 0.00 O ATOM 151 CB ALA A 11 5.338 1.353 2.755 1.00 0.00 C ATOM 0 H ALA A 11 5.055 1.923 5.128 1.00 0.00 H new ATOM 0 HA ALA A 11 5.779 3.425 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.502 1.351 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.252 1.042 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.533 0.660 3.000 1.00 0.00 H new ATOM 157 N CYS A 12 2.581 2.640 2.811 1.00 0.00 N ATOM 158 CA CYS A 12 1.313 3.026 2.217 1.00 0.00 C ATOM 159 C CYS A 12 1.253 4.554 2.161 1.00 0.00 C ATOM 160 O CYS A 12 1.110 5.134 1.086 1.00 0.00 O ATOM 161 CB CYS A 12 0.127 2.436 2.983 1.00 0.00 C ATOM 162 SG CYS A 12 -1.440 2.875 2.146 1.00 0.00 S ATOM 0 H CYS A 12 2.527 1.856 3.461 1.00 0.00 H new ATOM 0 HA CYS A 12 1.245 2.624 1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.225 1.352 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.120 2.813 4.006 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.294 3.310 3.024 1.00 0.00 H new ATOM 168 N LYS A 13 1.367 5.162 3.333 1.00 0.00 N ATOM 169 CA LYS A 13 1.328 6.611 3.431 1.00 0.00 C ATOM 170 C LYS A 13 2.756 7.159 3.393 1.00 0.00 C ATOM 171 O LYS A 13 3.088 7.978 2.538 1.00 0.00 O ATOM 172 CB LYS A 13 0.536 7.043 4.667 1.00 0.00 C ATOM 173 CG LYS A 13 -0.630 7.956 4.279 1.00 0.00 C ATOM 174 CD LYS A 13 -0.620 9.241 5.109 1.00 0.00 C ATOM 175 CE LYS A 13 0.757 9.906 5.073 1.00 0.00 C ATOM 176 NZ LYS A 13 1.439 9.759 6.378 1.00 0.00 N ATOM 0 H LYS A 13 1.486 4.677 4.223 1.00 0.00 H new ATOM 0 HA LYS A 13 0.800 7.037 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.156 6.163 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.195 7.564 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.566 8.203 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.573 7.430 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.371 9.931 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.892 9.014 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.364 9.457 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.650 10.963 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.418 9.444 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.443 10.674 6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.935 9.056 6.956 1.00 0.00 H new ATOM 189 N THR A 14 3.562 6.685 4.332 1.00 0.00 N ATOM 190 CA THR A 14 4.947 7.118 4.416 1.00 0.00 C ATOM 191 C THR A 14 5.623 7.012 3.048 1.00 0.00 C ATOM 192 O THR A 14 6.522 7.790 2.734 1.00 0.00 O ATOM 193 CB THR A 14 5.636 6.287 5.501 1.00 0.00 C ATOM 194 OG1 THR A 14 4.648 6.158 6.519 1.00 0.00 O ATOM 195 CG2 THR A 14 6.777 7.045 6.182 1.00 0.00 C ATOM 0 H THR A 14 3.283 6.006 5.040 1.00 0.00 H new ATOM 0 HA THR A 14 5.017 8.169 4.697 1.00 0.00 H new ATOM 0 HB THR A 14 6.022 5.367 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.510 7.026 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.232 6.411 6.943 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.528 7.316 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.386 7.949 6.649 1.00 0.00 H new ATOM 203 N TYR A 15 5.165 6.042 2.270 1.00 0.00 N ATOM 204 CA TYR A 15 5.714 5.824 0.943 1.00 0.00 C ATOM 205 C TYR A 15 5.326 6.961 -0.004 1.00 0.00 C ATOM 206 O TYR A 15 6.143 7.831 -0.303 1.00 0.00 O ATOM 207 CB TYR A 15 5.093 4.521 0.438 1.00 0.00 C ATOM 208 CG TYR A 15 6.007 3.711 -0.483 1.00 0.00 C ATOM 209 CD1 TYR A 15 6.990 4.348 -1.213 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.850 2.344 -0.584 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.851 3.586 -2.080 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.711 1.581 -1.451 1.00 0.00 C ATOM 213 CZ TYR A 15 7.669 2.240 -2.156 1.00 0.00 C ATOM 214 OH TYR A 15 8.482 1.520 -2.975 1.00 0.00 O ATOM 0 H TYR A 15 4.419 5.398 2.534 1.00 0.00 H new ATOM 0 HA TYR A 15 6.802 5.781 0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.820 3.905 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.171 4.753 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.113 5.418 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.081 1.846 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.624 4.072 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.598 0.511 -1.539 1.00 0.00 H new ATOM 0 HH TYR A 15 8.406 0.568 -2.756 1.00 0.00 H new ATOM 224 N CYS A 16 4.079 6.917 -0.450 1.00 0.00 N ATOM 225 CA CYS A 16 3.573 7.933 -1.358 1.00 0.00 C ATOM 226 C CYS A 16 2.531 8.768 -0.611 1.00 0.00 C ATOM 227 O CYS A 16 1.442 9.014 -1.126 1.00 0.00 O ATOM 228 CB CYS A 16 3.000 7.315 -2.635 1.00 0.00 C ATOM 229 SG CYS A 16 1.961 8.541 -3.511 1.00 0.00 S ATOM 0 H CYS A 16 3.404 6.194 -0.200 1.00 0.00 H new ATOM 0 HA CYS A 16 4.391 8.577 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.811 6.983 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.408 6.434 -2.389 1.00 0.00 H new ATOM 0 HG CYS A 16 1.399 9.331 -2.645 1.00 0.00 H new ATOM 235 N GLY A 17 2.903 9.182 0.592 1.00 0.00 N ATOM 236 CA GLY A 17 2.015 9.985 1.415 1.00 0.00 C ATOM 237 C GLY A 17 2.780 10.645 2.564 1.00 0.00 C ATOM 238 O GLY A 17 2.299 11.607 3.162 1.00 0.00 O ATOM 0 H GLY A 17 3.808 8.976 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.539 10.751 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.219 9.358 1.816 1.00 0.00 H new ATOM 242 N LYS A 18 3.957 10.103 2.838 1.00 0.00 N ATOM 243 CA LYS A 18 4.792 10.627 3.905 1.00 0.00 C ATOM 244 C LYS A 18 4.492 12.115 4.097 1.00 0.00 C ATOM 245 O LYS A 18 5.029 12.958 3.380 1.00 0.00 O ATOM 246 CB LYS A 18 6.267 10.329 3.626 1.00 0.00 C ATOM 247 CG LYS A 18 6.561 10.372 2.125 1.00 0.00 C ATOM 248 CD LYS A 18 8.064 10.264 1.858 1.00 0.00 C ATOM 249 CE LYS A 18 8.436 10.939 0.536 1.00 0.00 C ATOM 250 NZ LYS A 18 9.435 12.006 0.762 1.00 0.00 N ATOM 0 H LYS A 18 4.352 9.306 2.339 1.00 0.00 H new ATOM 0 HA LYS A 18 4.562 10.130 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.893 11.056 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.525 9.347 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.040 9.556 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.179 11.301 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.616 10.728 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.358 9.215 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.836 10.199 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.544 11.360 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.676 12.454 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.040 12.720 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.292 11.595 1.184 1.00 0.00 H new ATOM 263 N THR A 19 3.635 12.392 5.069 1.00 0.00 N ATOM 264 CA THR A 19 3.257 13.764 5.364 1.00 0.00 C ATOM 265 C THR A 19 2.018 13.794 6.262 1.00 0.00 C ATOM 266 O THR A 19 2.081 14.259 7.398 1.00 0.00 O ATOM 267 CB THR A 19 3.063 14.498 4.036 1.00 0.00 C ATOM 268 OG1 THR A 19 4.283 15.211 3.852 1.00 0.00 O ATOM 269 CG2 THR A 19 1.999 15.594 4.123 1.00 0.00 C ATOM 0 H THR A 19 3.192 11.690 5.662 1.00 0.00 H new ATOM 0 HA THR A 19 4.039 14.278 5.924 1.00 0.00 H new ATOM 0 HB THR A 19 2.784 13.782 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.971 14.600 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.901 16.084 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.043 15.152 4.405 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.294 16.329 4.872 1.00 0.00 H new ATOM 277 N SER A 20 0.920 13.291 5.716 1.00 0.00 N ATOM 278 CA SER A 20 -0.332 13.254 6.453 1.00 0.00 C ATOM 279 C SER A 20 -0.181 12.377 7.697 1.00 0.00 C ATOM 280 O SER A 20 0.824 11.686 7.856 1.00 0.00 O ATOM 281 CB SER A 20 -1.473 12.738 5.575 1.00 0.00 C ATOM 282 OG SER A 20 -2.477 13.729 5.367 1.00 0.00 O ATOM 0 H SER A 20 0.872 12.906 4.773 1.00 0.00 H new ATOM 0 HA SER A 20 -0.578 14.270 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.074 12.419 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.921 11.860 6.041 1.00 0.00 H new ATOM 0 HG SER A 20 -2.560 13.915 4.408 1.00 0.00 H new ATOM 288 N PRO A 21 -1.223 12.433 8.570 1.00 0.00 N ATOM 289 CA PRO A 21 -1.216 11.652 9.795 1.00 0.00 C ATOM 290 C PRO A 21 -1.494 10.176 9.506 1.00 0.00 C ATOM 291 O PRO A 21 -0.833 9.296 10.055 1.00 0.00 O ATOM 292 CB PRO A 21 -2.274 12.294 10.677 1.00 0.00 C ATOM 293 CG PRO A 21 -3.153 13.112 9.746 1.00 0.00 C ATOM 294 CD PRO A 21 -2.430 13.240 8.415 1.00 0.00 C ATOM 0 HA PRO A 21 -0.246 11.657 10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.858 11.537 11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.817 12.926 11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.120 12.627 9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.347 14.097 10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.047 12.877 7.593 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.186 14.279 8.195 1.00 0.00 H new ATOM 302 N SER A 22 -2.474 9.949 8.643 1.00 0.00 N ATOM 303 CA SER A 22 -2.848 8.595 8.274 1.00 0.00 C ATOM 304 C SER A 22 -4.270 8.580 7.710 1.00 0.00 C ATOM 305 O SER A 22 -5.149 7.909 8.250 1.00 0.00 O ATOM 306 CB SER A 22 -2.741 7.648 9.471 1.00 0.00 C ATOM 307 OG SER A 22 -3.534 6.477 9.298 1.00 0.00 O ATOM 0 H SER A 22 -3.020 10.681 8.189 1.00 0.00 H new ATOM 0 HA SER A 22 -2.156 8.246 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.699 7.362 9.615 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.056 8.169 10.375 1.00 0.00 H new ATOM 0 HG SER A 22 -4.473 6.732 9.185 1.00 0.00 H new ATOM 313 N LYS A 23 -4.454 9.328 6.632 1.00 0.00 N ATOM 314 CA LYS A 23 -5.754 9.409 5.990 1.00 0.00 C ATOM 315 C LYS A 23 -6.118 8.041 5.410 1.00 0.00 C ATOM 316 O LYS A 23 -7.271 7.618 5.484 1.00 0.00 O ATOM 317 CB LYS A 23 -5.773 10.539 4.959 1.00 0.00 C ATOM 318 CG LYS A 23 -4.772 10.271 3.833 1.00 0.00 C ATOM 319 CD LYS A 23 -4.081 11.563 3.394 1.00 0.00 C ATOM 320 CE LYS A 23 -4.638 12.056 2.057 1.00 0.00 C ATOM 321 NZ LYS A 23 -4.276 13.474 1.836 1.00 0.00 N ATOM 0 H LYS A 23 -3.723 9.884 6.187 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.524 9.661 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.775 10.640 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.534 11.484 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.025 9.551 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.287 9.823 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.220 12.331 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.008 11.393 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.246 11.444 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.722 11.945 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.662 13.793 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.671 14.057 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.241 13.571 1.826 1.00 0.00 H new ATOM 334 N LYS A 24 -5.113 7.387 4.845 1.00 0.00 N ATOM 335 CA LYS A 24 -5.313 6.075 4.252 1.00 0.00 C ATOM 336 C LYS A 24 -4.080 5.209 4.516 1.00 0.00 C ATOM 337 O LYS A 24 -3.929 4.141 3.924 1.00 0.00 O ATOM 338 CB LYS A 24 -5.667 6.206 2.770 1.00 0.00 C ATOM 339 CG LYS A 24 -4.813 7.281 2.094 1.00 0.00 C ATOM 340 CD LYS A 24 -3.630 6.656 1.352 1.00 0.00 C ATOM 341 CE LYS A 24 -2.301 7.124 1.947 1.00 0.00 C ATOM 342 NZ LYS A 24 -1.574 5.985 2.552 1.00 0.00 N ATOM 0 H LYS A 24 -4.158 7.741 4.785 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.162 5.572 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.516 5.249 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.723 6.456 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.425 7.850 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.447 7.984 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.695 5.569 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.675 6.925 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.689 7.582 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.483 7.889 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.557 6.094 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.054 5.096 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.599 5.964 2.190 1.00 0.00 H new ATOM 355 N GLU A 25 -3.230 5.700 5.406 1.00 0.00 N ATOM 356 CA GLU A 25 -2.015 4.983 5.755 1.00 0.00 C ATOM 357 C GLU A 25 -2.331 3.515 6.047 1.00 0.00 C ATOM 358 O GLU A 25 -2.302 2.679 5.146 1.00 0.00 O ATOM 359 CB GLU A 25 -1.314 5.641 6.946 1.00 0.00 C ATOM 360 CG GLU A 25 -0.087 4.834 7.373 1.00 0.00 C ATOM 361 CD GLU A 25 0.503 5.380 8.675 1.00 0.00 C ATOM 362 OE1 GLU A 25 0.751 6.590 8.783 1.00 0.00 O ATOM 363 OE2 GLU A 25 0.702 4.499 9.596 1.00 0.00 O ATOM 0 H GLU A 25 -3.359 6.585 5.896 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.334 5.025 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.013 6.655 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.009 5.723 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.363 3.788 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.666 4.867 6.586 1.00 0.00 H new ATOM 371 N ILE A 26 -2.625 3.246 7.311 1.00 0.00 N ATOM 372 CA ILE A 26 -2.945 1.893 7.733 1.00 0.00 C ATOM 373 C ILE A 26 -4.087 1.351 6.871 1.00 0.00 C ATOM 374 O ILE A 26 -4.140 0.156 6.585 1.00 0.00 O ATOM 375 CB ILE A 26 -3.237 1.855 9.235 1.00 0.00 C ATOM 376 CG1 ILE A 26 -2.090 2.479 10.032 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.548 0.430 9.697 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.223 2.162 11.523 1.00 0.00 C ATOM 0 H ILE A 26 -2.648 3.942 8.056 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.090 1.234 7.581 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.126 2.456 9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.137 2.103 9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.086 3.559 9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.752 0.431 10.768 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.421 0.056 9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.693 -0.214 9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.395 2.617 12.067 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.166 2.561 11.897 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.203 1.082 11.669 1.00 0.00 H new ATOM 390 N GLY A 27 -4.972 2.256 6.481 1.00 0.00 N ATOM 391 CA GLY A 27 -6.110 1.884 5.657 1.00 0.00 C ATOM 392 C GLY A 27 -5.668 1.034 4.464 1.00 0.00 C ATOM 393 O GLY A 27 -5.758 -0.192 4.504 1.00 0.00 O ATOM 0 H GLY A 27 -4.924 3.246 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.832 1.329 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.615 2.782 5.301 1.00 0.00 H new ATOM 397 N ALA A 28 -5.201 1.719 3.431 1.00 0.00 N ATOM 398 CA ALA A 28 -4.745 1.042 2.229 1.00 0.00 C ATOM 399 C ALA A 28 -3.762 -0.065 2.614 1.00 0.00 C ATOM 400 O ALA A 28 -3.865 -1.190 2.126 1.00 0.00 O ATOM 401 CB ALA A 28 -4.127 2.063 1.271 1.00 0.00 C ATOM 0 H ALA A 28 -5.128 2.736 3.401 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.582 0.574 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.785 1.555 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.874 2.811 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.281 2.551 1.755 1.00 0.00 H new ATOM 407 N MET A 29 -2.830 0.291 3.486 1.00 0.00 N ATOM 408 CA MET A 29 -1.830 -0.658 3.942 1.00 0.00 C ATOM 409 C MET A 29 -2.448 -2.039 4.172 1.00 0.00 C ATOM 410 O MET A 29 -1.905 -3.048 3.726 1.00 0.00 O ATOM 411 CB MET A 29 -1.205 -0.155 5.245 1.00 0.00 C ATOM 412 CG MET A 29 -0.809 -1.323 6.150 1.00 0.00 C ATOM 413 SD MET A 29 -2.152 -1.719 7.258 1.00 0.00 S ATOM 414 CE MET A 29 -1.237 -2.443 8.608 1.00 0.00 C ATOM 0 H MET A 29 -2.747 1.224 3.889 1.00 0.00 H new ATOM 0 HA MET A 29 -1.064 -0.747 3.172 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.327 0.450 5.021 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.912 0.490 5.766 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.557 -2.194 5.545 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.082 -1.064 6.723 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.776 -2.280 9.541 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.123 -3.513 8.437 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.253 -1.979 8.671 1.00 0.00 H new ATOM 424 N LEU A 30 -3.575 -2.038 4.868 1.00 0.00 N ATOM 425 CA LEU A 30 -4.274 -3.278 5.163 1.00 0.00 C ATOM 426 C LEU A 30 -5.358 -3.510 4.109 1.00 0.00 C ATOM 427 O LEU A 30 -5.332 -4.513 3.397 1.00 0.00 O ATOM 428 CB LEU A 30 -4.804 -3.266 6.598 1.00 0.00 C ATOM 429 CG LEU A 30 -4.124 -4.232 7.572 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.376 -3.815 9.022 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.559 -5.674 7.306 1.00 0.00 C ATOM 0 H LEU A 30 -4.022 -1.198 5.236 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.589 -4.124 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.706 -2.255 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.869 -3.496 6.573 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.048 -4.185 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.882 -4.517 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.978 -2.814 9.187 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.448 -3.816 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.062 -6.340 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.639 -5.757 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.287 -5.954 6.288 1.00 0.00 H new ATOM 443 N SER A 31 -6.286 -2.567 4.042 1.00 0.00 N ATOM 444 CA SER A 31 -7.377 -2.657 3.087 1.00 0.00 C ATOM 445 C SER A 31 -6.821 -2.804 1.670 1.00 0.00 C ATOM 446 O SER A 31 -7.329 -3.598 0.879 1.00 0.00 O ATOM 447 CB SER A 31 -8.288 -1.431 3.175 1.00 0.00 C ATOM 448 OG SER A 31 -9.271 -1.568 4.198 1.00 0.00 O ATOM 0 H SER A 31 -6.305 -1.736 4.634 1.00 0.00 H new ATOM 0 HA SER A 31 -7.973 -3.537 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.685 -0.544 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.782 -1.277 2.216 1.00 0.00 H new ATOM 0 HG SER A 31 -9.831 -0.764 4.223 1.00 0.00 H new ATOM 454 N LEU A 32 -5.786 -2.026 1.391 1.00 0.00 N ATOM 455 CA LEU A 32 -5.155 -2.060 0.082 1.00 0.00 C ATOM 456 C LEU A 32 -4.556 -3.447 -0.155 1.00 0.00 C ATOM 457 O LEU A 32 -4.968 -4.157 -1.071 1.00 0.00 O ATOM 458 CB LEU A 32 -4.142 -0.921 -0.054 1.00 0.00 C ATOM 459 CG LEU A 32 -4.126 -0.196 -1.401 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.167 -1.192 -2.562 1.00 0.00 C ATOM 461 CD2 LEU A 32 -5.259 0.829 -1.486 1.00 0.00 C ATOM 0 H LEU A 32 -5.368 -1.368 2.049 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.894 -1.894 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.341 -0.189 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.146 -1.323 0.132 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.188 0.353 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.155 -0.650 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.299 -1.849 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.077 -1.788 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.225 1.330 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.217 0.322 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.143 1.566 -0.691 1.00 0.00 H new ATOM 473 N LEU A 33 -3.593 -3.793 0.687 1.00 0.00 N ATOM 474 CA LEU A 33 -2.934 -5.083 0.580 1.00 0.00 C ATOM 475 C LEU A 33 -3.924 -6.190 0.950 1.00 0.00 C ATOM 476 O LEU A 33 -4.047 -7.182 0.234 1.00 0.00 O ATOM 477 CB LEU A 33 -1.652 -5.101 1.417 1.00 0.00 C ATOM 478 CG LEU A 33 -0.499 -4.242 0.894 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.354 -5.022 -0.109 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.016 -2.928 0.306 1.00 0.00 C ATOM 0 H LEU A 33 -3.254 -3.202 1.446 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.620 -5.265 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.896 -4.771 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.306 -6.132 1.493 1.00 0.00 H new ATOM 0 HG LEU A 33 0.145 -3.986 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.167 -4.389 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.769 -5.906 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.265 -5.328 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.176 -2.337 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.695 -3.141 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.546 -2.368 1.076 1.00 0.00 H new ATOM 492 N GLN A 34 -4.605 -5.981 2.067 1.00 0.00 N ATOM 493 CA GLN A 34 -5.580 -6.949 2.541 1.00 0.00 C ATOM 494 C GLN A 34 -6.791 -6.982 1.606 1.00 0.00 C ATOM 495 O GLN A 34 -7.758 -7.699 1.862 1.00 0.00 O ATOM 496 CB GLN A 34 -6.005 -6.641 3.978 1.00 0.00 C ATOM 497 CG GLN A 34 -6.540 -7.895 4.672 1.00 0.00 C ATOM 498 CD GLN A 34 -7.096 -7.560 6.058 1.00 0.00 C ATOM 499 OE1 GLN A 34 -8.189 -7.039 6.207 1.00 0.00 O ATOM 500 NE2 GLN A 34 -6.285 -7.887 7.060 1.00 0.00 N ATOM 0 H GLN A 34 -4.501 -5.156 2.658 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.116 -7.935 2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.156 -6.247 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.772 -5.867 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.322 -8.347 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.742 -8.632 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.383 -8.321 6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.565 -7.704 8.023 1.00 0.00 H new ATOM 509 N LYS A 35 -6.699 -6.197 0.542 1.00 0.00 N ATOM 510 CA LYS A 35 -7.776 -6.128 -0.431 1.00 0.00 C ATOM 511 C LYS A 35 -7.184 -6.158 -1.842 1.00 0.00 C ATOM 512 O LYS A 35 -7.823 -5.719 -2.797 1.00 0.00 O ATOM 513 CB LYS A 35 -8.663 -4.911 -0.163 1.00 0.00 C ATOM 514 CG LYS A 35 -10.089 -5.152 -0.662 1.00 0.00 C ATOM 515 CD LYS A 35 -11.038 -4.062 -0.159 1.00 0.00 C ATOM 516 CE LYS A 35 -11.598 -4.415 1.220 1.00 0.00 C ATOM 517 NZ LYS A 35 -11.662 -3.211 2.078 1.00 0.00 N ATOM 0 H LYS A 35 -5.896 -5.604 0.333 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.429 -6.996 -0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.679 -4.696 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.244 -4.035 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.098 -5.172 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.437 -6.127 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.509 -3.110 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.858 -3.934 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.593 -4.847 1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.970 -5.171 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.044 -3.469 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.707 -2.815 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.280 -2.501 1.635 1.00 0.00 H new ATOM 530 N GLU A 36 -5.969 -6.680 -1.929 1.00 0.00 N ATOM 531 CA GLU A 36 -5.284 -6.774 -3.206 1.00 0.00 C ATOM 532 C GLU A 36 -4.600 -8.135 -3.344 1.00 0.00 C ATOM 533 O GLU A 36 -3.836 -8.358 -4.282 1.00 0.00 O ATOM 534 CB GLU A 36 -4.276 -5.634 -3.373 1.00 0.00 C ATOM 535 CG GLU A 36 -4.878 -4.483 -4.181 1.00 0.00 C ATOM 536 CD GLU A 36 -6.329 -4.225 -3.770 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.582 -3.754 -2.652 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.211 -4.531 -4.661 1.00 0.00 O ATOM 0 H GLU A 36 -5.442 -7.042 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.024 -6.680 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.966 -5.272 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.382 -6.005 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.287 -3.580 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.834 -4.718 -5.244 1.00 0.00 H new ATOM 546 N GLY A 37 -4.898 -9.010 -2.395 1.00 0.00 N ATOM 547 CA GLY A 37 -4.321 -10.344 -2.398 1.00 0.00 C ATOM 548 C GLY A 37 -3.098 -10.414 -1.482 1.00 0.00 C ATOM 549 O GLY A 37 -2.202 -11.229 -1.699 1.00 0.00 O ATOM 0 H GLY A 37 -5.532 -8.821 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.067 -11.068 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.035 -10.618 -3.414 1.00 0.00 H new ATOM 553 N LEU A 38 -3.099 -9.549 -0.479 1.00 0.00 N ATOM 554 CA LEU A 38 -2.000 -9.503 0.471 1.00 0.00 C ATOM 555 C LEU A 38 -2.539 -9.750 1.881 1.00 0.00 C ATOM 556 O LEU A 38 -2.248 -8.990 2.803 1.00 0.00 O ATOM 557 CB LEU A 38 -1.225 -8.191 0.330 1.00 0.00 C ATOM 558 CG LEU A 38 -0.372 -8.049 -0.932 1.00 0.00 C ATOM 559 CD1 LEU A 38 0.105 -9.415 -1.429 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.123 -7.274 -2.017 1.00 0.00 C ATOM 0 H LEU A 38 -3.843 -8.874 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.282 -10.295 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.937 -7.366 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.575 -8.081 1.198 1.00 0.00 H new ATOM 0 HG LEU A 38 0.517 -7.471 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.709 -9.285 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.704 -9.895 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.758 -10.040 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.494 -7.187 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.041 -7.804 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.370 -6.278 -1.648 1.00 0.00 H new ATOM 572 N LEU A 39 -3.315 -10.817 2.005 1.00 0.00 N ATOM 573 CA LEU A 39 -3.898 -11.174 3.287 1.00 0.00 C ATOM 574 C LEU A 39 -2.954 -12.127 4.024 1.00 0.00 C ATOM 575 O LEU A 39 -3.361 -12.803 4.967 1.00 0.00 O ATOM 576 CB LEU A 39 -5.310 -11.732 3.098 1.00 0.00 C ATOM 577 CG LEU A 39 -6.411 -11.062 3.922 1.00 0.00 C ATOM 578 CD1 LEU A 39 -7.764 -11.733 3.676 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.046 -11.036 5.407 1.00 0.00 C ATOM 0 H LEU A 39 -3.554 -11.446 1.238 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.012 -10.289 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.573 -11.652 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.295 -12.794 3.343 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.500 -10.026 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.530 -11.238 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.022 -11.656 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.706 -12.784 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.846 -10.554 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.913 -12.056 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.119 -10.479 5.544 1.00 0.00 H new ATOM 591 N MET A 40 -1.711 -12.150 3.564 1.00 0.00 N ATOM 592 CA MET A 40 -0.707 -13.009 4.167 1.00 0.00 C ATOM 593 C MET A 40 0.053 -12.272 5.272 1.00 0.00 C ATOM 594 O MET A 40 1.063 -12.766 5.772 1.00 0.00 O ATOM 595 CB MET A 40 0.279 -13.475 3.093 1.00 0.00 C ATOM 596 CG MET A 40 0.482 -14.991 3.156 1.00 0.00 C ATOM 597 SD MET A 40 -0.973 -15.827 2.547 1.00 0.00 S ATOM 598 CE MET A 40 -0.369 -16.387 0.964 1.00 0.00 C ATOM 0 H MET A 40 -1.377 -11.588 2.781 1.00 0.00 H new ATOM 0 HA MET A 40 -1.210 -13.869 4.609 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.092 -13.195 2.107 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.236 -12.970 3.229 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.350 -15.275 2.562 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.685 -15.297 4.182 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.158 -16.933 0.446 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.069 -15.528 0.364 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.489 -17.043 1.113 1.00 0.00 H new ATOM 608 N SER A 41 -0.462 -11.102 5.621 1.00 0.00 N ATOM 609 CA SER A 41 0.156 -10.292 6.657 1.00 0.00 C ATOM 610 C SER A 41 1.113 -9.278 6.028 1.00 0.00 C ATOM 611 O SER A 41 1.296 -9.264 4.812 1.00 0.00 O ATOM 612 CB SER A 41 0.899 -11.166 7.670 1.00 0.00 C ATOM 613 OG SER A 41 2.291 -11.252 7.381 1.00 0.00 O ATOM 0 H SER A 41 -1.300 -10.696 5.205 1.00 0.00 H new ATOM 0 HA SER A 41 -0.632 -9.757 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.761 -10.758 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.467 -12.167 7.672 1.00 0.00 H new ATOM 0 HG SER A 41 2.453 -12.005 6.775 1.00 0.00 H new ATOM 619 N PRO A 42 1.713 -8.432 6.908 1.00 0.00 N ATOM 620 CA PRO A 42 2.647 -7.417 6.451 1.00 0.00 C ATOM 621 C PRO A 42 3.994 -8.039 6.077 1.00 0.00 C ATOM 622 O PRO A 42 5.003 -7.340 5.993 1.00 0.00 O ATOM 623 CB PRO A 42 2.748 -6.429 7.602 1.00 0.00 C ATOM 624 CG PRO A 42 2.235 -7.165 8.829 1.00 0.00 C ATOM 625 CD PRO A 42 1.520 -8.420 8.355 1.00 0.00 C ATOM 0 HA PRO A 42 2.313 -6.917 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.777 -6.100 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.153 -5.537 7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.061 -7.423 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.556 -6.531 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.939 -9.313 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.461 -8.394 8.613 1.00 0.00 H new ATOM 633 N SER A 43 3.966 -9.346 5.861 1.00 0.00 N ATOM 634 CA SER A 43 5.172 -10.070 5.498 1.00 0.00 C ATOM 635 C SER A 43 5.619 -9.670 4.091 1.00 0.00 C ATOM 636 O SER A 43 6.791 -9.808 3.745 1.00 0.00 O ATOM 637 CB SER A 43 4.951 -11.582 5.575 1.00 0.00 C ATOM 638 OG SER A 43 5.314 -12.111 6.847 1.00 0.00 O ATOM 0 H SER A 43 3.127 -9.922 5.930 1.00 0.00 H new ATOM 0 HA SER A 43 5.955 -9.808 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.903 -11.806 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.536 -12.074 4.798 1.00 0.00 H new ATOM 0 HG SER A 43 6.187 -11.753 7.113 1.00 0.00 H new ATOM 644 N ASP A 44 4.661 -9.181 3.317 1.00 0.00 N ATOM 645 CA ASP A 44 4.941 -8.760 1.955 1.00 0.00 C ATOM 646 C ASP A 44 6.301 -8.059 1.912 1.00 0.00 C ATOM 647 O ASP A 44 7.076 -8.258 0.978 1.00 0.00 O ATOM 648 CB ASP A 44 3.884 -7.773 1.455 1.00 0.00 C ATOM 649 CG ASP A 44 4.301 -6.939 0.242 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.587 -6.883 -0.770 1.00 0.00 O ATOM 651 OD2 ASP A 44 5.426 -6.320 0.366 1.00 0.00 O ATOM 0 H ASP A 44 3.690 -9.067 3.607 1.00 0.00 H new ATOM 0 HA ASP A 44 4.936 -9.646 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.981 -8.328 1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.625 -7.097 2.270 1.00 0.00 H new ATOM 657 N LEU A 45 6.547 -7.253 2.934 1.00 0.00 N ATOM 658 CA LEU A 45 7.800 -6.521 3.025 1.00 0.00 C ATOM 659 C LEU A 45 8.961 -7.515 3.103 1.00 0.00 C ATOM 660 O LEU A 45 10.049 -7.244 2.596 1.00 0.00 O ATOM 661 CB LEU A 45 7.758 -5.531 4.190 1.00 0.00 C ATOM 662 CG LEU A 45 9.112 -5.010 4.676 1.00 0.00 C ATOM 663 CD1 LEU A 45 8.960 -3.659 5.379 1.00 0.00 C ATOM 664 CD2 LEU A 45 9.811 -6.042 5.563 1.00 0.00 C ATOM 0 H LEU A 45 5.901 -7.090 3.706 1.00 0.00 H new ATOM 0 HA LEU A 45 7.956 -5.918 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.148 -4.678 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.252 -6.009 5.029 1.00 0.00 H new ATOM 0 HG LEU A 45 9.748 -4.850 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.937 -3.311 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.535 -2.934 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.299 -3.769 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.771 -5.646 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.188 -6.257 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.973 -6.959 4.996 1.00 0.00 H new ATOM 676 N TYR A 46 8.690 -8.643 3.742 1.00 0.00 N ATOM 677 CA TYR A 46 9.699 -9.678 3.893 1.00 0.00 C ATOM 678 C TYR A 46 10.249 -10.111 2.532 1.00 0.00 C ATOM 679 O TYR A 46 11.172 -10.920 2.460 1.00 0.00 O ATOM 680 CB TYR A 46 8.990 -10.867 4.544 1.00 0.00 C ATOM 681 CG TYR A 46 8.649 -10.655 6.020 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.275 -9.656 6.737 1.00 0.00 C ATOM 683 CD2 TYR A 46 7.715 -11.465 6.636 1.00 0.00 C ATOM 684 CE1 TYR A 46 8.954 -9.457 8.126 1.00 0.00 C ATOM 685 CE2 TYR A 46 7.395 -11.265 8.026 1.00 0.00 C ATOM 686 CZ TYR A 46 8.030 -10.271 8.702 1.00 0.00 C ATOM 687 OH TYR A 46 7.727 -10.083 10.015 1.00 0.00 O ATOM 0 H TYR A 46 7.787 -8.863 4.161 1.00 0.00 H new ATOM 0 HA TYR A 46 10.536 -9.313 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.071 -11.074 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.623 -11.750 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.006 -9.023 6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.225 -12.248 6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.437 -8.678 8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.667 -11.891 8.520 1.00 0.00 H new ATOM 0 HH TYR A 46 7.051 -10.736 10.291 1.00 0.00 H new ATOM 697 N SER A 47 9.658 -9.552 1.486 1.00 0.00 N ATOM 698 CA SER A 47 10.077 -9.869 0.131 1.00 0.00 C ATOM 699 C SER A 47 10.369 -8.582 -0.642 1.00 0.00 C ATOM 700 O SER A 47 9.618 -7.612 -0.546 1.00 0.00 O ATOM 701 CB SER A 47 9.013 -10.695 -0.595 1.00 0.00 C ATOM 702 OG SER A 47 9.262 -10.774 -1.996 1.00 0.00 O ATOM 0 H SER A 47 8.892 -8.881 1.550 1.00 0.00 H new ATOM 0 HA SER A 47 10.987 -10.466 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.985 -11.700 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.032 -10.251 -0.426 1.00 0.00 H new ATOM 0 HG SER A 47 8.525 -10.350 -2.484 1.00 0.00 H new ATOM 708 N PRO A 48 11.490 -8.615 -1.410 1.00 0.00 N ATOM 709 CA PRO A 48 11.890 -7.462 -2.200 1.00 0.00 C ATOM 710 C PRO A 48 11.004 -7.311 -3.438 1.00 0.00 C ATOM 711 O PRO A 48 10.818 -8.264 -4.192 1.00 0.00 O ATOM 712 CB PRO A 48 13.351 -7.707 -2.541 1.00 0.00 C ATOM 713 CG PRO A 48 13.585 -9.194 -2.330 1.00 0.00 C ATOM 714 CD PRO A 48 12.403 -9.745 -1.548 1.00 0.00 C ATOM 0 HA PRO A 48 11.773 -6.522 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.565 -7.420 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.006 -7.114 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.681 -9.705 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.514 -9.361 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.931 -10.573 -2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.714 -10.124 -0.574 1.00 0.00 H new ATOM 722 N GLY A 49 10.481 -6.106 -3.608 1.00 0.00 N ATOM 723 CA GLY A 49 9.620 -5.817 -4.742 1.00 0.00 C ATOM 724 C GLY A 49 8.318 -6.616 -4.658 1.00 0.00 C ATOM 725 O GLY A 49 7.883 -7.208 -5.645 1.00 0.00 O ATOM 0 H GLY A 49 10.637 -5.318 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.396 -4.751 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.140 -6.058 -5.669 1.00 0.00 H new ATOM 729 N SER A 50 7.731 -6.608 -3.470 1.00 0.00 N ATOM 730 CA SER A 50 6.488 -7.325 -3.244 1.00 0.00 C ATOM 731 C SER A 50 5.301 -6.369 -3.379 1.00 0.00 C ATOM 732 O SER A 50 4.189 -6.690 -2.962 1.00 0.00 O ATOM 733 CB SER A 50 6.478 -7.991 -1.867 1.00 0.00 C ATOM 734 OG SER A 50 6.658 -9.402 -1.955 1.00 0.00 O ATOM 0 H SER A 50 8.094 -6.116 -2.654 1.00 0.00 H new ATOM 0 HA SER A 50 6.404 -8.109 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.269 -7.562 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.533 -7.777 -1.367 1.00 0.00 H new ATOM 0 HG SER A 50 6.170 -9.840 -1.226 1.00 0.00 H new ATOM 740 N TRP A 51 5.577 -5.213 -3.965 1.00 0.00 N ATOM 741 CA TRP A 51 4.546 -4.208 -4.160 1.00 0.00 C ATOM 742 C TRP A 51 3.991 -4.369 -5.577 1.00 0.00 C ATOM 743 O TRP A 51 3.055 -3.671 -5.964 1.00 0.00 O ATOM 744 CB TRP A 51 5.089 -2.804 -3.887 1.00 0.00 C ATOM 745 CG TRP A 51 5.109 -2.421 -2.406 1.00 0.00 C ATOM 746 CD1 TRP A 51 6.001 -2.781 -1.473 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.153 -1.584 -1.721 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.691 -2.240 -0.241 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.532 -1.489 -0.397 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.007 -0.929 -2.204 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.819 -0.748 0.552 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.306 -0.192 -1.242 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.673 -0.087 0.094 1.00 0.00 C ATOM 0 H TRP A 51 6.500 -4.950 -4.311 1.00 0.00 H new ATOM 0 HA TRP A 51 3.732 -4.348 -3.449 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.102 -2.734 -4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.483 -2.079 -4.431 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.855 -3.415 -1.661 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.216 -2.368 0.624 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.692 -0.989 -3.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.136 -0.689 1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.417 0.332 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.077 0.502 0.776 1.00 0.00 H new ATOM 764 N ASP A 52 4.591 -5.294 -6.311 1.00 0.00 N ATOM 765 CA ASP A 52 4.169 -5.555 -7.677 1.00 0.00 C ATOM 766 C ASP A 52 2.910 -6.425 -7.659 1.00 0.00 C ATOM 767 O ASP A 52 2.136 -6.422 -8.615 1.00 0.00 O ATOM 768 CB ASP A 52 5.251 -6.307 -8.454 1.00 0.00 C ATOM 769 CG ASP A 52 5.505 -5.792 -9.872 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.551 -6.571 -10.836 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.660 -4.515 -9.969 1.00 0.00 O ATOM 0 H ASP A 52 5.366 -5.872 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 52 3.978 -4.597 -8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.184 -6.254 -7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.972 -7.359 -8.510 1.00 0.00 H new ATOM 777 N PRO A 53 2.740 -7.167 -6.532 1.00 0.00 N ATOM 778 CA PRO A 53 1.588 -8.039 -6.377 1.00 0.00 C ATOM 779 C PRO A 53 0.324 -7.230 -6.077 1.00 0.00 C ATOM 780 O PRO A 53 -0.768 -7.597 -6.508 1.00 0.00 O ATOM 781 CB PRO A 53 1.964 -8.991 -5.253 1.00 0.00 C ATOM 782 CG PRO A 53 3.113 -8.328 -4.512 1.00 0.00 C ATOM 783 CD PRO A 53 3.636 -7.195 -5.380 1.00 0.00 C ATOM 0 HA PRO A 53 1.353 -8.591 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.118 -9.163 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.262 -9.962 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.776 -7.946 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.904 -9.050 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.621 -6.246 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.667 -7.373 -5.685 1.00 0.00 H new ATOM 791 N ILE A 54 0.515 -6.146 -5.340 1.00 0.00 N ATOM 792 CA ILE A 54 -0.596 -5.283 -4.977 1.00 0.00 C ATOM 793 C ILE A 54 -0.976 -4.415 -6.179 1.00 0.00 C ATOM 794 O ILE A 54 -2.072 -3.860 -6.227 1.00 0.00 O ATOM 795 CB ILE A 54 -0.261 -4.478 -3.720 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.415 -4.524 -2.716 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.133 -3.043 -4.075 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.031 -3.137 -2.526 1.00 0.00 C ATOM 0 H ILE A 54 1.423 -5.846 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.473 -5.878 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 54 0.602 -4.939 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.178 -5.220 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.054 -4.900 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.366 -2.493 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.008 -3.056 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.694 -2.556 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.849 -3.197 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.271 -2.449 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.412 -2.774 -3.481 1.00 0.00 H new ATOM 810 N THR A 55 -0.048 -4.326 -7.121 1.00 0.00 N ATOM 811 CA THR A 55 -0.272 -3.536 -8.319 1.00 0.00 C ATOM 812 C THR A 55 -1.273 -4.236 -9.240 1.00 0.00 C ATOM 813 O THR A 55 -2.272 -3.643 -9.642 1.00 0.00 O ATOM 814 CB THR A 55 1.086 -3.282 -8.978 1.00 0.00 C ATOM 815 OG1 THR A 55 1.430 -1.962 -8.567 1.00 0.00 O ATOM 816 CG2 THR A 55 0.988 -3.184 -10.502 1.00 0.00 C ATOM 0 H THR A 55 0.860 -4.788 -7.078 1.00 0.00 H new ATOM 0 HA THR A 55 -0.719 -2.571 -8.079 1.00 0.00 H new ATOM 0 HB THR A 55 1.775 -4.083 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.334 -1.348 -9.325 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.979 -3.003 -10.919 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.590 -4.117 -10.902 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.325 -2.362 -10.772 1.00 0.00 H new ATOM 824 N ALA A 56 -0.969 -5.489 -9.548 1.00 0.00 N ATOM 825 CA ALA A 56 -1.830 -6.276 -10.414 1.00 0.00 C ATOM 826 C ALA A 56 -3.102 -6.655 -9.654 1.00 0.00 C ATOM 827 O ALA A 56 -4.073 -7.116 -10.252 1.00 0.00 O ATOM 828 CB ALA A 56 -1.065 -7.502 -10.918 1.00 0.00 C ATOM 0 H ALA A 56 -0.139 -5.978 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.128 -5.696 -11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.711 -8.092 -11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.187 -7.179 -11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.752 -8.110 -10.069 1.00 0.00 H new ATOM 834 N ALA A 57 -3.056 -6.447 -8.346 1.00 0.00 N ATOM 835 CA ALA A 57 -4.193 -6.761 -7.498 1.00 0.00 C ATOM 836 C ALA A 57 -5.351 -5.819 -7.834 1.00 0.00 C ATOM 837 O ALA A 57 -6.343 -6.236 -8.429 1.00 0.00 O ATOM 838 CB ALA A 57 -3.775 -6.670 -6.029 1.00 0.00 C ATOM 0 H ALA A 57 -2.249 -6.065 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.535 -7.780 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.628 -6.906 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.971 -7.380 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.428 -5.660 -5.811 1.00 0.00 H new ATOM 844 N LEU A 58 -5.185 -4.565 -7.437 1.00 0.00 N ATOM 845 CA LEU A 58 -6.204 -3.560 -7.689 1.00 0.00 C ATOM 846 C LEU A 58 -6.563 -3.566 -9.176 1.00 0.00 C ATOM 847 O LEU A 58 -7.723 -3.373 -9.539 1.00 0.00 O ATOM 848 CB LEU A 58 -5.749 -2.194 -7.172 1.00 0.00 C ATOM 849 CG LEU A 58 -4.615 -1.526 -7.952 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.324 -2.341 -7.850 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.022 -1.276 -9.405 1.00 0.00 C ATOM 0 H LEU A 58 -4.361 -4.223 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.115 -3.796 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.608 -1.523 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.433 -2.307 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.418 -0.553 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.534 -1.844 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.027 -2.423 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.489 -3.337 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.198 -0.800 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.263 -2.225 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.895 -0.624 -9.431 1.00 0.00 H new ATOM 863 N SER A 59 -5.548 -3.789 -9.997 1.00 0.00 N ATOM 864 CA SER A 59 -5.742 -3.822 -11.437 1.00 0.00 C ATOM 865 C SER A 59 -6.719 -4.940 -11.807 1.00 0.00 C ATOM 866 O SER A 59 -7.529 -4.784 -12.719 1.00 0.00 O ATOM 867 CB SER A 59 -4.412 -4.016 -12.168 1.00 0.00 C ATOM 868 OG SER A 59 -4.379 -3.318 -13.410 1.00 0.00 O ATOM 0 H SER A 59 -4.588 -3.949 -9.693 1.00 0.00 H new ATOM 0 HA SER A 59 -6.160 -2.865 -11.748 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.596 -3.668 -11.535 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.247 -5.079 -12.345 1.00 0.00 H new ATOM 0 HG SER A 59 -3.513 -3.465 -13.845 1.00 0.00 H new ATOM 874 N GLN A 60 -6.611 -6.042 -11.080 1.00 0.00 N ATOM 875 CA GLN A 60 -7.475 -7.185 -11.321 1.00 0.00 C ATOM 876 C GLN A 60 -8.909 -6.866 -10.893 1.00 0.00 C ATOM 877 O GLN A 60 -9.854 -7.509 -11.349 1.00 0.00 O ATOM 878 CB GLN A 60 -6.952 -8.429 -10.600 1.00 0.00 C ATOM 879 CG GLN A 60 -6.622 -9.542 -11.596 1.00 0.00 C ATOM 880 CD GLN A 60 -7.834 -9.873 -12.469 1.00 0.00 C ATOM 881 OE1 GLN A 60 -8.902 -10.217 -11.990 1.00 0.00 O ATOM 882 NE2 GLN A 60 -7.609 -9.751 -13.775 1.00 0.00 N ATOM 0 H GLN A 60 -5.938 -6.168 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.474 -7.397 -12.390 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.061 -8.174 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.699 -8.782 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.788 -9.235 -12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.303 -10.434 -11.057 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.691 -9.458 -14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.355 -9.950 -14.442 1.00 0.00 H new ATOM 891 N ARG A 61 -9.026 -5.873 -10.024 1.00 0.00 N ATOM 892 CA ARG A 61 -10.329 -5.461 -9.530 1.00 0.00 C ATOM 893 C ARG A 61 -10.234 -4.086 -8.865 1.00 0.00 C ATOM 894 O ARG A 61 -10.427 -3.962 -7.657 1.00 0.00 O ATOM 895 CB ARG A 61 -10.880 -6.470 -8.521 1.00 0.00 C ATOM 896 CG ARG A 61 -9.816 -6.854 -7.491 1.00 0.00 C ATOM 897 CD ARG A 61 -9.768 -8.369 -7.289 1.00 0.00 C ATOM 898 NE ARG A 61 -9.128 -8.688 -5.993 1.00 0.00 N ATOM 899 CZ ARG A 61 -8.962 -9.941 -5.519 1.00 0.00 C ATOM 900 NH1 ARG A 61 -9.388 -11.005 -6.231 1.00 0.00 N ATOM 901 NH2 ARG A 61 -8.377 -10.109 -4.348 1.00 0.00 N ATOM 0 H ARG A 61 -8.240 -5.342 -9.649 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.006 -5.411 -10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.746 -6.046 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.223 -7.362 -9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.840 -6.497 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.031 -6.364 -6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.777 -8.780 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.212 -8.835 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.791 -7.912 -5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.840 -10.866 -7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.258 -11.948 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.058 -9.299 -3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.244 -11.049 -3.975 1.00 0.00 H new ATOM 914 N ALA A 62 -9.938 -3.088 -9.684 1.00 0.00 N ATOM 915 CA ALA A 62 -9.815 -1.727 -9.191 1.00 0.00 C ATOM 916 C ALA A 62 -11.187 -1.230 -8.730 1.00 0.00 C ATOM 917 O ALA A 62 -11.293 -0.166 -8.123 1.00 0.00 O ATOM 918 CB ALA A 62 -9.211 -0.840 -10.283 1.00 0.00 C ATOM 0 H ALA A 62 -9.780 -3.195 -10.686 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.145 -1.690 -8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.119 0.181 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.225 -1.218 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.858 -0.851 -11.160 1.00 0.00 H new ATOM 924 N MET A 63 -12.202 -2.025 -9.036 1.00 0.00 N ATOM 925 CA MET A 63 -13.562 -1.680 -8.660 1.00 0.00 C ATOM 926 C MET A 63 -13.969 -2.385 -7.365 1.00 0.00 C ATOM 927 O MET A 63 -15.147 -2.410 -7.011 1.00 0.00 O ATOM 928 CB MET A 63 -14.520 -2.082 -9.783 1.00 0.00 C ATOM 929 CG MET A 63 -14.704 -3.601 -9.829 1.00 0.00 C ATOM 930 SD MET A 63 -16.394 -4.023 -9.442 1.00 0.00 S ATOM 931 CE MET A 63 -16.749 -5.145 -10.784 1.00 0.00 C ATOM 0 H MET A 63 -12.109 -2.907 -9.540 1.00 0.00 H new ATOM 0 HA MET A 63 -13.611 -0.604 -8.496 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.486 -1.599 -9.632 1.00 0.00 H new ATOM 0 HB3 MET A 63 -14.133 -1.730 -10.739 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.444 -3.977 -10.818 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.029 -4.079 -9.119 1.00 0.00 H new ATOM 0 HE1 MET A 63 -17.773 -5.506 -10.695 1.00 0.00 H new ATOM 0 HE2 MET A 63 -16.629 -4.625 -11.734 1.00 0.00 H new ATOM 0 HE3 MET A 63 -16.061 -5.990 -10.743 1.00 0.00 H new ATOM 941 N ILE A 64 -12.971 -2.940 -6.692 1.00 0.00 N ATOM 942 CA ILE A 64 -13.210 -3.643 -5.443 1.00 0.00 C ATOM 943 C ILE A 64 -12.795 -2.750 -4.272 1.00 0.00 C ATOM 944 O ILE A 64 -13.109 -3.045 -3.120 1.00 0.00 O ATOM 945 CB ILE A 64 -12.514 -5.005 -5.454 1.00 0.00 C ATOM 946 CG1 ILE A 64 -13.372 -6.053 -6.167 1.00 0.00 C ATOM 947 CG2 ILE A 64 -12.138 -5.440 -4.036 1.00 0.00 C ATOM 948 CD1 ILE A 64 -12.650 -7.401 -6.230 1.00 0.00 C ATOM 0 H ILE A 64 -11.995 -2.917 -6.988 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.272 -3.854 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.586 -4.910 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.321 -6.169 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.604 -5.713 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.645 -6.411 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.462 -4.706 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.039 -5.513 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -13.281 -8.128 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.713 -7.287 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.441 -7.750 -5.219 1.00 0.00 H new ATOM 960 N LEU A 65 -12.097 -1.675 -4.608 1.00 0.00 N ATOM 961 CA LEU A 65 -11.636 -0.737 -3.599 1.00 0.00 C ATOM 962 C LEU A 65 -12.372 0.593 -3.771 1.00 0.00 C ATOM 963 O LEU A 65 -12.786 0.939 -4.876 1.00 0.00 O ATOM 964 CB LEU A 65 -10.112 -0.607 -3.644 1.00 0.00 C ATOM 965 CG LEU A 65 -9.380 -1.603 -4.546 1.00 0.00 C ATOM 966 CD1 LEU A 65 -7.864 -1.447 -4.419 1.00 0.00 C ATOM 967 CD2 LEU A 65 -9.835 -3.036 -4.262 1.00 0.00 C ATOM 0 H LEU A 65 -11.840 -1.433 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.872 -1.105 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.863 0.402 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.728 -0.715 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.640 -1.381 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.368 -2.167 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.577 -0.437 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.565 -1.626 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.300 -3.724 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.624 -3.285 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.906 -3.121 -4.445 1.00 0.00 H new ATOM 979 N GLY A 66 -12.512 1.303 -2.661 1.00 0.00 N ATOM 980 CA GLY A 66 -13.191 2.587 -2.675 1.00 0.00 C ATOM 981 C GLY A 66 -13.230 3.203 -1.275 1.00 0.00 C ATOM 982 O GLY A 66 -14.280 3.232 -0.634 1.00 0.00 O ATOM 0 H GLY A 66 -12.167 1.013 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.681 3.264 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.207 2.461 -3.049 1.00 0.00 H new ATOM 986 N LYS A 67 -12.073 3.679 -0.840 1.00 0.00 N ATOM 987 CA LYS A 67 -11.961 4.292 0.472 1.00 0.00 C ATOM 988 C LYS A 67 -11.667 5.785 0.310 1.00 0.00 C ATOM 989 O LYS A 67 -11.665 6.530 1.288 1.00 0.00 O ATOM 990 CB LYS A 67 -10.929 3.550 1.324 1.00 0.00 C ATOM 991 CG LYS A 67 -11.203 3.750 2.816 1.00 0.00 C ATOM 992 CD LYS A 67 -12.493 3.044 3.236 1.00 0.00 C ATOM 993 CE LYS A 67 -13.474 4.028 3.877 1.00 0.00 C ATOM 994 NZ LYS A 67 -14.128 3.415 5.055 1.00 0.00 N ATOM 0 H LYS A 67 -11.204 3.652 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.904 4.210 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.953 2.487 1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.928 3.908 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.367 3.363 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.279 4.815 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.956 2.578 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.262 2.245 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.946 4.933 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.228 4.325 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.790 4.096 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.648 2.564 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.406 3.154 5.756 1.00 0.00 H new ATOM 1007 N SER A 68 -11.425 6.176 -0.932 1.00 0.00 N ATOM 1008 CA SER A 68 -11.129 7.566 -1.235 1.00 0.00 C ATOM 1009 C SER A 68 -11.476 7.869 -2.694 1.00 0.00 C ATOM 1010 O SER A 68 -10.924 8.794 -3.288 1.00 0.00 O ATOM 1011 CB SER A 68 -9.659 7.889 -0.961 1.00 0.00 C ATOM 1012 OG SER A 68 -9.500 9.161 -0.337 1.00 0.00 O ATOM 0 H SER A 68 -11.428 5.554 -1.741 1.00 0.00 H new ATOM 0 HA SER A 68 -11.738 8.194 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.231 7.116 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.103 7.873 -1.899 1.00 0.00 H new ATOM 0 HG SER A 68 -8.548 9.330 -0.177 1.00 0.00 H new ATOM 1018 N GLY A 69 -12.388 7.071 -3.230 1.00 0.00 N ATOM 1019 CA GLY A 69 -12.815 7.242 -4.608 1.00 0.00 C ATOM 1020 C GLY A 69 -12.970 5.890 -5.306 1.00 0.00 C ATOM 1021 O GLY A 69 -14.053 5.553 -5.781 1.00 0.00 O ATOM 0 H GLY A 69 -12.843 6.304 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.763 7.780 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.088 7.851 -5.145 1.00 0.00 H new ATOM 1025 N GLU A 70 -11.871 5.151 -5.346 1.00 0.00 N ATOM 1026 CA GLU A 70 -11.871 3.843 -5.978 1.00 0.00 C ATOM 1027 C GLU A 70 -10.496 3.186 -5.840 1.00 0.00 C ATOM 1028 O GLU A 70 -10.356 2.163 -5.173 1.00 0.00 O ATOM 1029 CB GLU A 70 -12.285 3.943 -7.447 1.00 0.00 C ATOM 1030 CG GLU A 70 -12.882 2.623 -7.941 1.00 0.00 C ATOM 1031 CD GLU A 70 -14.113 2.871 -8.814 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -13.978 3.114 -10.022 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -15.243 2.802 -8.195 1.00 0.00 O ATOM 0 H GLU A 70 -10.974 5.434 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.604 3.217 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.014 4.744 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.419 4.205 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.133 2.072 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.156 2.002 -7.088 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.514 3.803 -6.482 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.155 3.292 -6.439 1.00 0.00 C ATOM 1043 C LEU A 71 -7.216 4.391 -5.938 1.00 0.00 C ATOM 1044 O LEU A 71 -6.007 4.186 -5.848 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.756 2.716 -7.800 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.021 1.374 -7.771 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.004 0.207 -7.880 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -5.941 1.317 -8.853 1.00 0.00 C ATOM 0 H LEU A 71 -9.633 4.652 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.082 2.464 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.657 2.601 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.123 3.443 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.518 1.281 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.455 -0.734 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.703 0.240 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.556 0.282 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.434 0.353 -8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.401 1.442 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.217 2.115 -8.687 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.809 5.534 -5.625 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.042 6.666 -5.135 1.00 0.00 C ATOM 1062 C LYS A 72 -6.166 6.214 -3.964 1.00 0.00 C ATOM 1063 O LYS A 72 -4.982 6.543 -3.906 1.00 0.00 O ATOM 1064 CB LYS A 72 -7.968 7.835 -4.795 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.840 8.955 -5.829 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.468 9.627 -5.743 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.510 11.036 -6.337 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.145 11.493 -6.683 1.00 0.00 N ATOM 0 H LYS A 72 -8.812 5.700 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.372 7.037 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.000 7.487 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.725 8.220 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.988 8.549 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.623 9.696 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.148 9.677 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.731 9.026 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.139 11.043 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.961 11.725 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.191 12.451 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.555 11.505 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.728 10.844 -7.381 1.00 0.00 H new ATOM 1081 N THR A 73 -6.783 5.468 -3.059 1.00 0.00 N ATOM 1082 CA THR A 73 -6.074 4.968 -1.893 1.00 0.00 C ATOM 1083 C THR A 73 -4.882 4.110 -2.321 1.00 0.00 C ATOM 1084 O THR A 73 -3.781 4.263 -1.793 1.00 0.00 O ATOM 1085 CB THR A 73 -7.078 4.218 -1.016 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.275 4.983 -1.126 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.726 4.291 0.471 1.00 0.00 C ATOM 0 H THR A 73 -7.765 5.198 -3.110 1.00 0.00 H new ATOM 0 HA THR A 73 -5.653 5.784 -1.306 1.00 0.00 H new ATOM 0 HB THR A 73 -7.123 3.175 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.042 4.429 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.470 3.743 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.743 3.850 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.714 5.333 0.791 1.00 0.00 H new ATOM 1095 N TRP A 74 -5.140 3.226 -3.273 1.00 0.00 N ATOM 1096 CA TRP A 74 -4.102 2.344 -3.778 1.00 0.00 C ATOM 1097 C TRP A 74 -2.977 3.213 -4.343 1.00 0.00 C ATOM 1098 O TRP A 74 -1.809 3.018 -4.009 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.669 1.359 -4.803 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.629 0.815 -5.784 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.936 -0.329 -5.701 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.190 1.442 -7.007 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -2.086 -0.485 -6.777 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.245 0.627 -7.596 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.578 2.658 -7.596 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.610 0.939 -8.804 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.933 2.956 -8.803 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.980 2.145 -9.409 1.00 0.00 C ATOM 0 H TRP A 74 -6.054 3.102 -3.708 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.697 1.727 -2.976 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.127 0.523 -4.274 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.461 1.852 -5.366 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -3.031 -1.040 -4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.457 -1.271 -6.941 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.315 3.311 -7.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.874 0.284 -9.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.194 3.880 -9.297 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.527 2.445 -10.343 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.367 4.154 -5.190 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.406 5.054 -5.805 1.00 0.00 C ATOM 1121 C GLY A 75 -1.306 5.440 -4.814 1.00 0.00 C ATOM 1122 O GLY A 75 -0.121 5.357 -5.134 1.00 0.00 O ATOM 0 H GLY A 75 -4.336 4.313 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.962 4.577 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.915 5.951 -6.156 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.736 5.854 -3.632 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.802 6.253 -2.593 1.00 0.00 C ATOM 1128 C LEU A 76 0.022 5.039 -2.160 1.00 0.00 C ATOM 1129 O LEU A 76 1.227 5.148 -1.942 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.542 6.936 -1.441 1.00 0.00 C ATOM 1131 CG LEU A 76 -2.219 8.267 -1.775 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -1.653 8.862 -3.065 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -3.740 8.109 -1.835 1.00 0.00 C ATOM 0 H LEU A 76 -2.719 5.922 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.101 6.995 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.300 6.250 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.834 7.105 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.000 8.972 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.152 9.807 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.583 9.034 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.820 8.169 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.196 9.070 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.000 7.382 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.108 7.763 -0.869 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.662 3.909 -2.047 1.00 0.00 N ATOM 1146 CA VAL A 77 -0.008 2.676 -1.644 1.00 0.00 C ATOM 1147 C VAL A 77 0.919 2.205 -2.766 1.00 0.00 C ATOM 1148 O VAL A 77 2.116 2.021 -2.552 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.057 1.631 -1.256 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.399 0.730 -2.445 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.588 0.802 -0.059 1.00 0.00 C ATOM 0 H VAL A 77 -1.662 3.822 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 77 0.609 2.841 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.964 2.160 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.146 -0.004 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.795 1.337 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.500 0.214 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.352 0.067 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.339 0.289 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.417 1.459 0.794 1.00 0.00 H new ATOM 1161 N LEU A 78 0.330 2.022 -3.939 1.00 0.00 N ATOM 1162 CA LEU A 78 1.089 1.576 -5.096 1.00 0.00 C ATOM 1163 C LEU A 78 1.984 2.716 -5.584 1.00 0.00 C ATOM 1164 O LEU A 78 3.206 2.575 -5.627 1.00 0.00 O ATOM 1165 CB LEU A 78 0.151 1.027 -6.172 1.00 0.00 C ATOM 1166 CG LEU A 78 0.704 -0.118 -7.024 1.00 0.00 C ATOM 1167 CD1 LEU A 78 1.968 0.315 -7.769 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.938 -1.369 -6.175 1.00 0.00 C ATOM 0 H LEU A 78 -0.663 2.174 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 78 1.745 0.749 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.764 0.684 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.127 1.846 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.041 -0.375 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.341 -0.517 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.735 1.156 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.730 0.615 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.331 -2.168 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.654 -1.144 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.004 -1.688 -5.730 1.00 0.00 H new ATOM 1180 N GLY A 79 1.343 3.820 -5.938 1.00 0.00 N ATOM 1181 CA GLY A 79 2.066 4.983 -6.421 1.00 0.00 C ATOM 1182 C GLY A 79 3.398 5.146 -5.685 1.00 0.00 C ATOM 1183 O GLY A 79 4.369 5.641 -6.254 1.00 0.00 O ATOM 0 H GLY A 79 0.330 3.933 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.248 4.884 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.458 5.877 -6.282 1.00 0.00 H new ATOM 1187 N ALA A 80 3.399 4.720 -4.431 1.00 0.00 N ATOM 1188 CA ALA A 80 4.595 4.812 -3.611 1.00 0.00 C ATOM 1189 C ALA A 80 5.644 3.827 -4.133 1.00 0.00 C ATOM 1190 O ALA A 80 6.807 4.188 -4.307 1.00 0.00 O ATOM 1191 CB ALA A 80 4.232 4.554 -2.147 1.00 0.00 C ATOM 0 H ALA A 80 2.591 4.310 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 80 5.024 5.812 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.129 4.623 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.507 5.297 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.801 3.558 -2.049 1.00 0.00 H new ATOM 1197 N LEU A 81 5.194 2.604 -4.369 1.00 0.00 N ATOM 1198 CA LEU A 81 6.079 1.564 -4.868 1.00 0.00 C ATOM 1199 C LEU A 81 6.819 2.081 -6.103 1.00 0.00 C ATOM 1200 O LEU A 81 8.022 1.869 -6.244 1.00 0.00 O ATOM 1201 CB LEU A 81 5.301 0.270 -5.113 1.00 0.00 C ATOM 1202 CG LEU A 81 5.813 -0.615 -6.251 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.109 -1.323 -5.854 1.00 0.00 C ATOM 1204 CD2 LEU A 81 4.736 -1.603 -6.704 1.00 0.00 C ATOM 0 H LEU A 81 4.228 2.309 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 81 6.835 1.317 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.308 -0.315 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.262 0.527 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 81 6.043 0.024 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.451 -1.946 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.872 -0.581 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.929 -1.948 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.126 -2.220 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.452 -2.240 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.862 -1.053 -7.055 1.00 0.00 H new ATOM 1216 N LYS A 82 6.068 2.748 -6.967 1.00 0.00 N ATOM 1217 CA LYS A 82 6.637 3.296 -8.187 1.00 0.00 C ATOM 1218 C LYS A 82 7.574 4.452 -7.832 1.00 0.00 C ATOM 1219 O LYS A 82 8.484 4.775 -8.595 1.00 0.00 O ATOM 1220 CB LYS A 82 5.530 3.682 -9.169 1.00 0.00 C ATOM 1221 CG LYS A 82 5.259 2.550 -10.163 1.00 0.00 C ATOM 1222 CD LYS A 82 3.997 1.775 -9.781 1.00 0.00 C ATOM 1223 CE LYS A 82 4.347 0.384 -9.248 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.563 -0.134 -9.913 1.00 0.00 N ATOM 0 H LYS A 82 5.070 2.921 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 82 7.237 2.543 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.617 3.915 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.817 4.584 -9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.148 2.961 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.112 1.872 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.441 2.329 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.346 1.682 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.506 0.430 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.514 -0.298 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.566 -1.173 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.572 0.171 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.407 0.235 -9.430 1.00 0.00 H new ATOM 1237 N ALA A 83 7.320 5.044 -6.674 1.00 0.00 N ATOM 1238 CA ALA A 83 8.130 6.157 -6.209 1.00 0.00 C ATOM 1239 C ALA A 83 9.521 5.646 -5.826 1.00 0.00 C ATOM 1240 O ALA A 83 10.519 6.331 -6.043 1.00 0.00 O ATOM 1241 CB ALA A 83 7.423 6.851 -5.043 1.00 0.00 C ATOM 0 H ALA A 83 6.565 4.774 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 83 8.257 6.896 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.031 7.686 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.453 7.222 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.281 6.140 -4.229 1.00 0.00 H new ATOM 1247 N ALA A 84 9.541 4.447 -5.263 1.00 0.00 N ATOM 1248 CA ALA A 84 10.792 3.836 -4.848 1.00 0.00 C ATOM 1249 C ALA A 84 11.666 3.587 -6.079 1.00 0.00 C ATOM 1250 O ALA A 84 12.862 3.874 -6.064 1.00 0.00 O ATOM 1251 CB ALA A 84 10.500 2.551 -4.071 1.00 0.00 C ATOM 0 H ALA A 84 8.711 3.882 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 84 11.342 4.502 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.439 2.093 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.902 2.786 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.951 1.857 -4.708 1.00 0.00 H new ATOM 1257 N ARG A 85 11.035 3.056 -7.116 1.00 0.00 N ATOM 1258 CA ARG A 85 11.741 2.766 -8.353 1.00 0.00 C ATOM 1259 C ARG A 85 12.266 4.059 -8.980 1.00 0.00 C ATOM 1260 O ARG A 85 13.332 4.066 -9.594 1.00 0.00 O ATOM 1261 CB ARG A 85 10.827 2.055 -9.354 1.00 0.00 C ATOM 1262 CG ARG A 85 11.529 0.844 -9.972 1.00 0.00 C ATOM 1263 CD ARG A 85 10.511 -0.186 -10.465 1.00 0.00 C ATOM 1264 NE ARG A 85 11.202 -1.266 -11.204 1.00 0.00 N ATOM 1265 CZ ARG A 85 10.566 -2.259 -11.863 1.00 0.00 C ATOM 1266 NH1 ARG A 85 9.218 -2.316 -11.880 1.00 0.00 N ATOM 1267 NH2 ARG A 85 11.284 -3.172 -12.490 1.00 0.00 N ATOM 0 H ARG A 85 10.043 2.819 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 85 12.578 2.110 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.913 1.734 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.533 2.750 -10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.156 1.167 -10.803 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.188 0.385 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.965 -0.604 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.777 0.296 -11.111 1.00 0.00 H new ATOM 0 HE ARG A 85 12.222 -1.260 -11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.671 -1.606 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.746 -3.069 -12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.303 -3.121 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.820 -3.929 -12.993 1.00 0.00 H new ATOM 1280 N GLU A 86 11.493 5.120 -8.805 1.00 0.00 N ATOM 1281 CA GLU A 86 11.867 6.416 -9.347 1.00 0.00 C ATOM 1282 C GLU A 86 12.941 7.066 -8.473 1.00 0.00 C ATOM 1283 O GLU A 86 13.696 7.917 -8.941 1.00 0.00 O ATOM 1284 CB GLU A 86 10.645 7.327 -9.483 1.00 0.00 C ATOM 1285 CG GLU A 86 10.519 8.258 -8.275 1.00 0.00 C ATOM 1286 CD GLU A 86 11.047 9.656 -8.603 1.00 0.00 C ATOM 1287 OE1 GLU A 86 10.270 10.534 -9.007 1.00 0.00 O ATOM 1288 OE2 GLU A 86 12.315 9.815 -8.424 1.00 0.00 O ATOM 0 H GLU A 86 10.609 5.109 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 86 12.280 6.266 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.727 7.918 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.744 6.721 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.475 8.322 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.074 7.844 -7.433 1.00 0.00 H new ATOM 1296 N GLU A 87 12.976 6.641 -7.219 1.00 0.00 N ATOM 1297 CA GLU A 87 13.946 7.171 -6.275 1.00 0.00 C ATOM 1298 C GLU A 87 13.624 8.631 -5.948 1.00 0.00 C ATOM 1299 O GLU A 87 14.152 9.544 -6.582 1.00 0.00 O ATOM 1300 CB GLU A 87 15.370 7.032 -6.816 1.00 0.00 C ATOM 1301 CG GLU A 87 16.139 5.946 -6.061 1.00 0.00 C ATOM 1302 CD GLU A 87 17.197 6.561 -5.142 1.00 0.00 C ATOM 1303 OE1 GLU A 87 17.140 7.765 -4.851 1.00 0.00 O ATOM 1304 OE2 GLU A 87 18.101 5.741 -4.726 1.00 0.00 O ATOM 0 H GLU A 87 12.348 5.935 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 87 13.884 6.590 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.337 6.788 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.893 7.984 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.445 5.347 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.617 5.273 -6.772 1.00 0.00 H new TER 1312 GLU A 87