USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 402 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 22 ASN : amide:sc= -14.9! C(o=-17!,f=-12!) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -115:sc= 0.00646 (180deg=0) USER MOD Set 1.3: A 29 GLN : amide:sc= -1.77 K(o=-17,f=-12) USER MOD Single : A 1 ASP N :NH3+ -153:sc= -6.95! (180deg=-7.23!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= -3.34! (180deg=-7.51!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5.8!) USER MOD Single : A 42 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3!) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.781 (180deg=-2.45!) USER MOD Single : A 45 SER OG : rot -7:sc= 1.09 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 156:sc= 0.895 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.040 7.990 3.308 1.00 0.00 N ATOM 2 CA ASP A 1 -1.988 7.026 3.692 1.00 0.00 C ATOM 3 C ASP A 1 -2.525 5.620 3.644 1.00 0.00 C ATOM 4 O ASP A 1 -1.840 4.687 3.213 1.00 0.00 O ATOM 5 CB ASP A 1 -1.435 7.390 5.092 1.00 0.00 C ATOM 6 CG ASP A 1 -2.508 7.626 6.154 1.00 0.00 C ATOM 7 OD1 ASP A 1 -3.378 8.498 5.941 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.466 6.950 7.203 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.600 8.842 2.906 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.666 7.556 2.600 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.595 8.251 4.148 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.163 7.080 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -0.778 6.588 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.824 8.288 5.005 1.00 0.00 H new ATOM 15 N PHE A 2 -3.754 5.487 4.110 1.00 0.00 N ATOM 16 CA PHE A 2 -4.435 4.231 4.165 1.00 0.00 C ATOM 17 C PHE A 2 -5.812 4.308 3.544 1.00 0.00 C ATOM 18 O PHE A 2 -6.388 3.276 3.187 1.00 0.00 O ATOM 19 CB PHE A 2 -4.566 3.844 5.614 1.00 0.00 C ATOM 20 CG PHE A 2 -3.326 3.336 6.269 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.219 4.148 6.437 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.288 2.042 6.734 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.087 3.667 7.057 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.171 1.552 7.354 1.00 0.00 C ATOM 25 CZ PHE A 2 -1.061 2.365 7.520 1.00 0.00 C ATOM 0 H PHE A 2 -4.305 6.269 4.464 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.863 3.493 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.918 4.712 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.337 3.078 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.242 5.167 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.151 1.405 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.224 4.304 7.181 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.154 0.534 7.713 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.178 1.982 8.010 1.00 0.00 H new ATOM 35 N CYS A 3 -6.369 5.526 3.466 1.00 0.00 N ATOM 36 CA CYS A 3 -7.715 5.690 2.941 1.00 0.00 C ATOM 37 C CYS A 3 -7.922 6.961 2.103 1.00 0.00 C ATOM 38 O CYS A 3 -8.919 7.039 1.385 1.00 0.00 O ATOM 39 CB CYS A 3 -8.712 5.699 4.100 1.00 0.00 C ATOM 40 SG CYS A 3 -8.217 4.731 5.561 1.00 0.00 S ATOM 0 H CYS A 3 -5.912 6.391 3.756 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.877 4.847 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.877 6.732 4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.667 5.318 3.739 1.00 0.00 H new ATOM 45 N LEU A 4 -7.026 7.970 2.190 1.00 0.00 N ATOM 46 CA LEU A 4 -7.215 9.209 1.416 1.00 0.00 C ATOM 47 C LEU A 4 -5.905 9.863 1.047 1.00 0.00 C ATOM 48 O LEU A 4 -5.630 10.113 -0.131 1.00 0.00 O ATOM 49 CB LEU A 4 -8.093 10.224 2.179 1.00 0.00 C ATOM 50 CG LEU A 4 -8.024 10.140 3.706 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.094 11.528 4.323 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.167 9.275 4.217 1.00 0.00 C ATOM 0 H LEU A 4 -6.189 7.950 2.772 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.721 8.913 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.803 11.230 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.129 10.084 1.872 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.074 9.690 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.043 11.446 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.257 12.128 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.031 12.006 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.119 9.214 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.118 9.716 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.083 8.274 3.794 1.00 0.00 H new ATOM 64 N GLU A 5 -5.111 10.135 2.073 1.00 0.00 N ATOM 65 CA GLU A 5 -3.808 10.765 1.945 1.00 0.00 C ATOM 66 C GLU A 5 -2.904 9.995 0.958 1.00 0.00 C ATOM 67 O GLU A 5 -3.146 8.811 0.717 1.00 0.00 O ATOM 68 CB GLU A 5 -3.200 10.831 3.333 1.00 0.00 C ATOM 69 CG GLU A 5 -3.626 12.051 4.137 1.00 0.00 C ATOM 70 CD GLU A 5 -3.004 12.092 5.522 1.00 0.00 C ATOM 71 OE1 GLU A 5 -1.760 12.178 5.616 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.762 12.038 6.514 1.00 0.00 O ATOM 0 H GLU A 5 -5.362 9.918 3.038 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.909 11.769 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.476 9.931 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.114 10.829 3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.349 12.954 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.712 12.057 4.231 1.00 0.00 H new ATOM 79 N PRO A 6 -1.874 10.656 0.340 1.00 0.00 N ATOM 80 CA PRO A 6 -0.979 10.015 -0.659 1.00 0.00 C ATOM 81 C PRO A 6 -0.352 8.669 -0.213 1.00 0.00 C ATOM 82 O PRO A 6 0.623 8.654 0.549 1.00 0.00 O ATOM 83 CB PRO A 6 0.109 11.074 -0.882 1.00 0.00 C ATOM 84 CG PRO A 6 -0.565 12.367 -0.594 1.00 0.00 C ATOM 85 CD PRO A 6 -1.525 12.088 0.527 1.00 0.00 C ATOM 0 HA PRO A 6 -1.540 9.738 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.960 10.914 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.489 11.043 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.159 13.130 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.089 12.739 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.067 12.265 1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.406 12.726 0.468 1.00 0.00 H new ATOM 93 N PRO A 7 -0.908 7.502 -0.692 1.00 0.00 N ATOM 94 CA PRO A 7 -0.390 6.155 -0.347 1.00 0.00 C ATOM 95 C PRO A 7 1.065 5.948 -0.789 1.00 0.00 C ATOM 96 O PRO A 7 1.445 6.345 -1.896 1.00 0.00 O ATOM 97 CB PRO A 7 -1.325 5.203 -1.107 1.00 0.00 C ATOM 98 CG PRO A 7 -2.554 5.994 -1.359 1.00 0.00 C ATOM 99 CD PRO A 7 -2.079 7.396 -1.597 1.00 0.00 C ATOM 0 HA PRO A 7 -0.380 5.993 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.873 4.867 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.543 4.311 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.098 5.611 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.233 5.948 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.802 7.558 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.847 8.130 -1.353 1.00 0.00 H new ATOM 107 N TYR A 8 1.872 5.344 0.097 1.00 0.00 N ATOM 108 CA TYR A 8 3.297 5.091 -0.158 1.00 0.00 C ATOM 109 C TYR A 8 3.513 3.957 -1.165 1.00 0.00 C ATOM 110 O TYR A 8 2.921 2.883 -1.035 1.00 0.00 O ATOM 111 CB TYR A 8 4.021 4.772 1.161 1.00 0.00 C ATOM 112 CG TYR A 8 4.162 5.959 2.105 1.00 0.00 C ATOM 113 CD1 TYR A 8 3.048 6.591 2.656 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.419 6.441 2.451 1.00 0.00 C ATOM 115 CE1 TYR A 8 3.186 7.664 3.516 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.564 7.513 3.311 1.00 0.00 C ATOM 117 CZ TYR A 8 4.445 8.121 3.840 1.00 0.00 C ATOM 118 OH TYR A 8 4.587 9.188 4.697 1.00 0.00 O ATOM 0 H TYR A 8 1.554 5.018 1.010 1.00 0.00 H new ATOM 0 HA TYR A 8 3.715 5.998 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.481 3.977 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.014 4.386 0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.059 6.236 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.299 5.969 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.311 8.142 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.549 7.873 3.568 1.00 0.00 H new ATOM 0 HH TYR A 8 5.539 9.383 4.822 1.00 0.00 H new ATOM 128 N THR A 9 4.360 4.219 -2.171 1.00 0.00 N ATOM 129 CA THR A 9 4.653 3.233 -3.219 1.00 0.00 C ATOM 130 C THR A 9 6.152 2.983 -3.384 1.00 0.00 C ATOM 131 O THR A 9 6.562 1.847 -3.633 1.00 0.00 O ATOM 132 CB THR A 9 4.053 3.678 -4.557 1.00 0.00 C ATOM 133 OG1 THR A 9 4.433 5.007 -4.867 1.00 0.00 O ATOM 134 CG2 THR A 9 2.541 3.607 -4.587 1.00 0.00 C ATOM 0 H THR A 9 4.853 5.105 -2.280 1.00 0.00 H new ATOM 0 HA THR A 9 4.195 2.295 -2.905 1.00 0.00 H new ATOM 0 HB THR A 9 4.447 2.979 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.040 5.268 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.181 3.935 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.221 2.580 -4.409 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.131 4.254 -3.812 1.00 0.00 H new ATOM 142 N GLY A 10 6.963 4.042 -3.255 1.00 0.00 N ATOM 143 CA GLY A 10 8.408 3.897 -3.399 1.00 0.00 C ATOM 144 C GLY A 10 9.209 4.634 -2.325 1.00 0.00 C ATOM 145 O GLY A 10 10.106 5.407 -2.673 1.00 0.00 O ATOM 0 H GLY A 10 6.645 4.990 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.663 2.838 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.706 4.267 -4.380 1.00 0.00 H new ATOM 149 N PRO A 11 8.918 4.435 -1.002 1.00 0.00 N ATOM 150 CA PRO A 11 9.641 5.113 0.079 1.00 0.00 C ATOM 151 C PRO A 11 10.869 4.345 0.602 1.00 0.00 C ATOM 152 O PRO A 11 11.754 4.947 1.218 1.00 0.00 O ATOM 153 CB PRO A 11 8.581 5.230 1.184 1.00 0.00 C ATOM 154 CG PRO A 11 7.480 4.263 0.836 1.00 0.00 C ATOM 155 CD PRO A 11 7.868 3.561 -0.440 1.00 0.00 C ATOM 0 HA PRO A 11 10.054 6.061 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.010 4.993 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.196 6.248 1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.337 3.541 1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.535 4.790 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.242 2.555 -0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.021 3.462 -1.119 1.00 0.00 H new ATOM 163 N CYS A 12 10.901 3.021 0.381 1.00 0.00 N ATOM 164 CA CYS A 12 12.007 2.183 0.863 1.00 0.00 C ATOM 165 C CYS A 12 12.582 1.280 -0.244 1.00 0.00 C ATOM 166 O CYS A 12 13.804 1.214 -0.410 1.00 0.00 O ATOM 167 CB CYS A 12 11.533 1.332 2.055 1.00 0.00 C ATOM 168 SG CYS A 12 10.514 2.245 3.271 1.00 0.00 S ATOM 0 H CYS A 12 10.177 2.511 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 12 12.810 2.847 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.958 0.487 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.405 0.922 2.564 1.00 0.00 H new ATOM 173 N ARG A 13 11.703 0.580 -0.987 1.00 0.00 N ATOM 174 CA ARG A 13 12.124 -0.326 -2.062 1.00 0.00 C ATOM 175 C ARG A 13 12.156 0.409 -3.417 1.00 0.00 C ATOM 176 O ARG A 13 13.073 1.196 -3.670 1.00 0.00 O ATOM 177 CB ARG A 13 11.189 -1.560 -2.105 1.00 0.00 C ATOM 178 CG ARG A 13 11.829 -2.851 -2.622 1.00 0.00 C ATOM 179 CD ARG A 13 11.909 -2.914 -4.146 1.00 0.00 C ATOM 180 NE ARG A 13 10.594 -3.078 -4.792 1.00 0.00 N ATOM 181 CZ ARG A 13 10.424 -3.263 -6.113 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.470 -3.331 -6.935 1.00 0.00 N ATOM 183 NH2 ARG A 13 9.205 -3.383 -6.612 1.00 0.00 N ATOM 0 H ARG A 13 10.692 0.629 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 13 13.137 -0.672 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.807 -1.741 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.331 -1.323 -2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.833 -2.942 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.256 -3.704 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.377 -2.002 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.554 -3.744 -4.435 1.00 0.00 H new ATOM 0 HE ARG A 13 9.763 -3.049 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.416 -3.242 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.325 -3.472 -7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.394 -3.335 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.076 -3.523 -7.614 1.00 0.00 H new ATOM 197 N ALA A 14 11.153 0.153 -4.278 1.00 0.00 N ATOM 198 CA ALA A 14 11.060 0.784 -5.586 1.00 0.00 C ATOM 199 C ALA A 14 9.626 1.220 -5.881 1.00 0.00 C ATOM 200 O ALA A 14 9.322 2.414 -5.828 1.00 0.00 O ATOM 201 CB ALA A 14 11.607 -0.134 -6.680 1.00 0.00 C ATOM 0 H ALA A 14 10.392 -0.496 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 14 11.680 1.681 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.525 0.363 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.654 -0.360 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.033 -1.060 -6.698 1.00 0.00 H new ATOM 207 N ALA A 15 8.750 0.244 -6.182 1.00 0.00 N ATOM 208 CA ALA A 15 7.332 0.507 -6.480 1.00 0.00 C ATOM 209 C ALA A 15 6.538 -0.786 -6.717 1.00 0.00 C ATOM 210 O ALA A 15 6.566 -1.355 -7.816 1.00 0.00 O ATOM 211 CB ALA A 15 7.169 1.442 -7.686 1.00 0.00 C ATOM 0 H ALA A 15 9.004 -0.743 -6.225 1.00 0.00 H new ATOM 0 HA ALA A 15 6.925 0.999 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.109 1.612 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.657 2.394 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.625 0.985 -8.565 1.00 0.00 H new ATOM 217 N ILE A 16 5.805 -1.221 -5.685 1.00 0.00 N ATOM 218 CA ILE A 16 4.959 -2.414 -5.770 1.00 0.00 C ATOM 219 C ILE A 16 3.503 -1.940 -5.594 1.00 0.00 C ATOM 220 O ILE A 16 3.244 -1.077 -4.748 1.00 0.00 O ATOM 221 CB ILE A 16 5.343 -3.487 -4.700 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.867 -3.703 -4.616 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.670 -4.827 -4.993 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.572 -2.802 -3.620 1.00 0.00 C ATOM 0 H ILE A 16 5.782 -0.759 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 16 5.096 -2.904 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 16 4.991 -3.102 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.061 -4.742 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.300 -3.542 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.957 -5.552 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.587 -4.700 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.985 -5.186 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.640 -3.020 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.413 -1.760 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.170 -2.978 -2.622 1.00 0.00 H new ATOM 236 N ILE A 17 2.572 -2.443 -6.424 1.00 0.00 N ATOM 237 CA ILE A 17 1.169 -1.978 -6.374 1.00 0.00 C ATOM 238 C ILE A 17 0.135 -3.102 -6.189 1.00 0.00 C ATOM 239 O ILE A 17 0.346 -4.264 -6.542 1.00 0.00 O ATOM 240 CB ILE A 17 0.835 -1.189 -7.690 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.789 0.012 -7.900 1.00 0.00 C ATOM 242 CG2 ILE A 17 -0.621 -0.728 -7.764 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.646 1.129 -6.876 1.00 0.00 C ATOM 0 H ILE A 17 2.758 -3.159 -7.127 1.00 0.00 H new ATOM 0 HA ILE A 17 1.094 -1.341 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 17 0.988 -1.902 -8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.817 -0.351 -7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.616 0.425 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.785 -0.189 -8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.280 -1.596 -7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.837 -0.070 -6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.354 1.925 -7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.631 1.525 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.850 0.737 -5.879 1.00 0.00 H new ATOM 255 N ARG A 18 -1.014 -2.649 -5.667 1.00 0.00 N ATOM 256 CA ARG A 18 -2.227 -3.438 -5.414 1.00 0.00 C ATOM 257 C ARG A 18 -3.362 -2.459 -5.050 1.00 0.00 C ATOM 258 O ARG A 18 -3.417 -1.380 -5.631 1.00 0.00 O ATOM 259 CB ARG A 18 -2.050 -4.525 -4.331 1.00 0.00 C ATOM 260 CG ARG A 18 -2.964 -5.743 -4.497 1.00 0.00 C ATOM 261 CD ARG A 18 -2.536 -6.645 -5.657 1.00 0.00 C ATOM 262 NE ARG A 18 -1.240 -7.296 -5.416 1.00 0.00 N ATOM 263 CZ ARG A 18 -0.634 -8.131 -6.271 1.00 0.00 C ATOM 264 NH1 ARG A 18 -1.186 -8.438 -7.444 1.00 0.00 N ATOM 265 NH2 ARG A 18 0.537 -8.663 -5.948 1.00 0.00 N ATOM 0 H ARG A 18 -1.127 -1.672 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.469 -3.993 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.013 -4.861 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.234 -4.079 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.965 -6.321 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.987 -5.405 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.297 -7.408 -5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.477 -6.053 -6.571 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.768 -7.098 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.086 -8.035 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.709 -9.076 -8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.971 -8.436 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.004 -9.299 -6.594 1.00 0.00 H new ATOM 279 N TYR A 19 -4.269 -2.832 -4.125 1.00 0.00 N ATOM 280 CA TYR A 19 -5.414 -1.974 -3.771 1.00 0.00 C ATOM 281 C TYR A 19 -5.237 -1.120 -2.512 1.00 0.00 C ATOM 282 O TYR A 19 -4.870 -1.627 -1.445 1.00 0.00 O ATOM 283 CB TYR A 19 -6.675 -2.855 -3.601 1.00 0.00 C ATOM 284 CG TYR A 19 -7.239 -3.486 -4.876 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.486 -3.613 -6.048 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.547 -3.958 -4.894 1.00 0.00 C ATOM 287 CE1 TYR A 19 -7.023 -4.185 -7.185 1.00 0.00 C ATOM 288 CE2 TYR A 19 -9.087 -4.531 -6.030 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.322 -4.642 -7.171 1.00 0.00 C ATOM 290 OH TYR A 19 -8.860 -5.214 -8.302 1.00 0.00 O ATOM 0 H TYR A 19 -4.231 -3.714 -3.614 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.506 -1.267 -4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.441 -3.655 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.457 -2.248 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.466 -3.257 -6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.152 -3.875 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.427 -4.273 -8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.105 -4.891 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.785 -5.484 -8.124 1.00 0.00 H new ATOM 300 N PHE A 20 -5.583 0.182 -2.659 1.00 0.00 N ATOM 301 CA PHE A 20 -5.570 1.150 -1.563 1.00 0.00 C ATOM 302 C PHE A 20 -6.988 1.737 -1.444 1.00 0.00 C ATOM 303 O PHE A 20 -7.763 1.631 -2.385 1.00 0.00 O ATOM 304 CB PHE A 20 -4.451 2.207 -1.790 1.00 0.00 C ATOM 305 CG PHE A 20 -4.778 3.555 -2.377 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.628 4.436 -1.744 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.175 3.946 -3.547 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.880 5.683 -2.274 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.416 5.189 -4.090 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.273 6.063 -3.450 1.00 0.00 C ATOM 0 H PHE A 20 -5.879 0.581 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.324 0.685 -0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.975 2.383 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.702 1.748 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.104 4.145 -0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.501 3.268 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.552 6.360 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.936 5.479 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.466 7.039 -3.870 1.00 0.00 H new ATOM 320 N TYR A 21 -7.336 2.340 -0.302 1.00 0.00 N ATOM 321 CA TYR A 21 -8.678 2.923 -0.131 1.00 0.00 C ATOM 322 C TYR A 21 -8.634 4.398 -0.528 1.00 0.00 C ATOM 323 O TYR A 21 -7.791 5.136 -0.019 1.00 0.00 O ATOM 324 CB TYR A 21 -9.162 2.780 1.331 1.00 0.00 C ATOM 325 CG TYR A 21 -10.647 3.045 1.528 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.606 2.124 1.115 1.00 0.00 C ATOM 327 CD2 TYR A 21 -11.085 4.222 2.122 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.955 2.371 1.289 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.432 4.475 2.302 1.00 0.00 C ATOM 330 CZ TYR A 21 -13.362 3.547 1.883 1.00 0.00 C ATOM 331 OH TYR A 21 -14.704 3.796 2.059 1.00 0.00 O ATOM 0 H TYR A 21 -6.722 2.438 0.506 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.381 2.388 -0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.935 1.772 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.596 3.469 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.291 1.201 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.360 4.953 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.686 1.647 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.754 5.394 2.768 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.821 4.667 2.493 1.00 0.00 H new ATOM 341 N ASN A 22 -9.521 4.832 -1.434 1.00 0.00 N ATOM 342 CA ASN A 22 -9.528 6.217 -1.856 1.00 0.00 C ATOM 343 C ASN A 22 -10.806 6.887 -1.340 1.00 0.00 C ATOM 344 O ASN A 22 -11.916 6.487 -1.708 1.00 0.00 O ATOM 345 CB ASN A 22 -9.388 6.299 -3.372 1.00 0.00 C ATOM 346 CG ASN A 22 -9.212 7.711 -3.895 1.00 0.00 C ATOM 347 OD1 ASN A 22 -8.258 8.403 -3.539 1.00 0.00 O ATOM 348 ND2 ASN A 22 -10.134 8.140 -4.747 1.00 0.00 N ATOM 0 H ASN A 22 -10.228 4.245 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.678 6.754 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.533 5.698 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.272 5.858 -3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.070 9.080 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.907 7.529 -5.012 1.00 0.00 H new ATOM 355 N ALA A 23 -10.637 7.871 -0.443 1.00 0.00 N ATOM 356 CA ALA A 23 -11.761 8.574 0.190 1.00 0.00 C ATOM 357 C ALA A 23 -12.492 9.554 -0.744 1.00 0.00 C ATOM 358 O ALA A 23 -13.203 10.454 -0.277 1.00 0.00 O ATOM 359 CB ALA A 23 -11.280 9.289 1.444 1.00 0.00 C ATOM 0 H ALA A 23 -9.721 8.200 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.496 7.812 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.117 9.809 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.870 8.561 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.508 10.010 1.178 1.00 0.00 H new ATOM 365 N LYS A 24 -12.352 9.353 -2.059 1.00 0.00 N ATOM 366 CA LYS A 24 -13.033 10.194 -3.042 1.00 0.00 C ATOM 367 C LYS A 24 -14.457 9.711 -3.255 1.00 0.00 C ATOM 368 O LYS A 24 -15.363 10.489 -3.568 1.00 0.00 O ATOM 369 CB LYS A 24 -12.284 10.227 -4.378 1.00 0.00 C ATOM 370 CG LYS A 24 -11.653 11.585 -4.717 1.00 0.00 C ATOM 371 CD LYS A 24 -10.410 11.907 -3.876 1.00 0.00 C ATOM 372 CE LYS A 24 -9.166 11.180 -4.376 1.00 0.00 C ATOM 373 NZ LYS A 24 -7.966 11.505 -3.559 1.00 0.00 N ATOM 0 H LYS A 24 -11.774 8.616 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.053 11.209 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.500 9.470 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.975 9.952 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.382 11.598 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.396 12.369 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.231 12.982 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.596 11.632 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.340 10.104 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.981 11.450 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.274 12.014 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.245 12.103 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.539 10.626 -3.204 1.00 0.00 H new ATOM 387 N ALA A 25 -14.617 8.402 -3.084 1.00 0.00 N ATOM 388 CA ALA A 25 -15.892 7.710 -3.245 1.00 0.00 C ATOM 389 C ALA A 25 -15.912 6.422 -2.432 1.00 0.00 C ATOM 390 O ALA A 25 -16.790 5.569 -2.620 1.00 0.00 O ATOM 391 CB ALA A 25 -16.057 7.354 -4.710 1.00 0.00 C ATOM 0 H ALA A 25 -13.850 7.781 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.697 8.359 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -17.005 6.835 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -16.047 8.265 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.238 6.706 -5.021 1.00 0.00 H new ATOM 397 N GLY A 26 -14.887 6.243 -1.585 1.00 0.00 N ATOM 398 CA GLY A 26 -14.747 5.014 -0.840 1.00 0.00 C ATOM 399 C GLY A 26 -14.330 3.909 -1.797 1.00 0.00 C ATOM 400 O GLY A 26 -14.569 2.723 -1.554 1.00 0.00 O ATOM 0 H GLY A 26 -14.158 6.934 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.003 5.132 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.688 4.758 -0.354 1.00 0.00 H new ATOM 404 N LEU A 27 -13.730 4.355 -2.922 1.00 0.00 N ATOM 405 CA LEU A 27 -13.287 3.484 -3.998 1.00 0.00 C ATOM 406 C LEU A 27 -11.865 3.003 -3.767 1.00 0.00 C ATOM 407 O LEU A 27 -11.009 3.783 -3.356 1.00 0.00 O ATOM 408 CB LEU A 27 -13.431 4.199 -5.364 1.00 0.00 C ATOM 409 CG LEU A 27 -12.757 5.581 -5.516 1.00 0.00 C ATOM 410 CD1 LEU A 27 -11.296 5.426 -5.917 1.00 0.00 C ATOM 411 CD2 LEU A 27 -13.481 6.409 -6.564 1.00 0.00 C ATOM 0 H LEU A 27 -13.544 5.343 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.926 2.601 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.027 3.541 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.494 4.318 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.809 6.089 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.840 6.411 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.767 4.858 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.234 4.898 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.995 7.380 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.450 5.891 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.519 6.551 -6.262 1.00 0.00 H new ATOM 423 N CYS A 28 -11.620 1.718 -4.026 1.00 0.00 N ATOM 424 CA CYS A 28 -10.308 1.141 -3.838 1.00 0.00 C ATOM 425 C CYS A 28 -9.403 1.412 -5.026 1.00 0.00 C ATOM 426 O CYS A 28 -9.656 0.986 -6.158 1.00 0.00 O ATOM 427 CB CYS A 28 -10.432 -0.340 -3.562 1.00 0.00 C ATOM 428 SG CYS A 28 -11.481 -0.723 -2.125 1.00 0.00 S ATOM 0 H CYS A 28 -12.323 1.063 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.843 1.616 -2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.842 -0.833 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.438 -0.756 -3.398 1.00 0.00 H new ATOM 433 N GLN A 29 -8.362 2.159 -4.714 1.00 0.00 N ATOM 434 CA GLN A 29 -7.357 2.590 -5.654 1.00 0.00 C ATOM 435 C GLN A 29 -6.150 1.622 -5.681 1.00 0.00 C ATOM 436 O GLN A 29 -6.341 0.412 -5.529 1.00 0.00 O ATOM 437 CB GLN A 29 -7.019 4.043 -5.312 1.00 0.00 C ATOM 438 CG GLN A 29 -7.533 5.043 -6.338 1.00 0.00 C ATOM 439 CD GLN A 29 -6.651 6.272 -6.467 1.00 0.00 C ATOM 440 OE1 GLN A 29 -5.463 6.171 -6.778 1.00 0.00 O ATOM 441 NE2 GLN A 29 -7.230 7.444 -6.240 1.00 0.00 N ATOM 0 H GLN A 29 -8.191 2.492 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.721 2.560 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.440 4.286 -4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.937 4.146 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.607 4.553 -7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.540 5.354 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.217 7.484 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.688 8.305 -6.321 1.00 0.00 H new ATOM 450 N THR A 30 -4.931 2.133 -5.928 1.00 0.00 N ATOM 451 CA THR A 30 -3.723 1.272 -6.043 1.00 0.00 C ATOM 452 C THR A 30 -2.449 1.887 -5.456 1.00 0.00 C ATOM 453 O THR A 30 -2.268 3.106 -5.520 1.00 0.00 O ATOM 454 CB THR A 30 -3.445 0.953 -7.516 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.453 2.134 -8.301 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.427 -0.023 -8.136 1.00 0.00 C ATOM 0 H THR A 30 -4.749 3.129 -6.052 1.00 0.00 H new ATOM 0 HA THR A 30 -3.956 0.379 -5.464 1.00 0.00 H new ATOM 0 HB THR A 30 -2.461 0.484 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.272 1.906 -9.237 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.160 -0.195 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.394 -0.967 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.434 0.391 -8.083 1.00 0.00 H new ATOM 464 N PHE A 31 -1.536 1.019 -4.919 1.00 0.00 N ATOM 465 CA PHE A 31 -0.233 1.504 -4.344 1.00 0.00 C ATOM 466 C PHE A 31 0.665 0.418 -3.694 1.00 0.00 C ATOM 467 O PHE A 31 1.855 0.661 -3.481 1.00 0.00 O ATOM 468 CB PHE A 31 -0.484 2.558 -3.222 1.00 0.00 C ATOM 469 CG PHE A 31 -0.749 1.949 -1.855 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.772 1.032 -1.668 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.046 2.278 -0.773 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.999 0.460 -0.441 1.00 0.00 C ATOM 473 CE2 PHE A 31 -0.178 1.714 0.465 1.00 0.00 C ATOM 474 CZ PHE A 31 -1.203 0.803 0.630 1.00 0.00 C ATOM 0 H PHE A 31 -1.669 0.009 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 31 0.284 1.904 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.382 3.216 -3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.334 3.179 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.402 0.763 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.852 2.985 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.798 -0.256 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.447 1.984 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.381 0.360 1.599 1.00 0.00 H new ATOM 484 N VAL A 32 0.035 -0.677 -3.254 1.00 0.00 N ATOM 485 CA VAL A 32 0.668 -1.760 -2.437 1.00 0.00 C ATOM 486 C VAL A 32 1.608 -1.195 -1.364 1.00 0.00 C ATOM 487 O VAL A 32 1.210 -1.031 -0.206 1.00 0.00 O ATOM 488 CB VAL A 32 1.361 -2.939 -3.226 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.750 -3.313 -2.696 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.512 -4.181 -3.121 1.00 0.00 C ATOM 0 H VAL A 32 -0.950 -0.854 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.193 -2.232 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 32 1.468 -2.580 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.158 -4.130 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.411 -2.449 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.670 -3.627 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.990 -4.995 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.403 -4.460 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.472 -3.987 -3.549 1.00 0.00 H new ATOM 500 N TYR A 33 2.864 -0.976 -1.773 1.00 0.00 N ATOM 501 CA TYR A 33 3.948 -0.522 -0.906 1.00 0.00 C ATOM 502 C TYR A 33 5.289 -0.484 -1.653 1.00 0.00 C ATOM 503 O TYR A 33 5.384 -0.905 -2.812 1.00 0.00 O ATOM 504 CB TYR A 33 3.958 -1.474 0.309 1.00 0.00 C ATOM 505 CG TYR A 33 5.103 -2.423 0.475 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.155 -3.567 -0.288 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.058 -2.222 1.425 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.155 -4.497 -0.112 1.00 0.00 C ATOM 509 CE2 TYR A 33 7.050 -3.142 1.626 1.00 0.00 C ATOM 510 CZ TYR A 33 7.104 -4.281 0.856 1.00 0.00 C ATOM 511 OH TYR A 33 8.103 -5.205 1.060 1.00 0.00 O ATOM 0 H TYR A 33 3.157 -1.114 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 33 3.792 0.504 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.905 -0.861 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.043 -2.065 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.398 -3.739 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.032 -1.326 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.192 -5.384 -0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.793 -2.974 2.391 1.00 0.00 H new ATOM 0 HH TYR A 33 8.691 -4.897 1.781 1.00 0.00 H new ATOM 521 N GLY A 34 6.311 0.019 -0.957 1.00 0.00 N ATOM 522 CA GLY A 34 7.644 0.109 -1.502 1.00 0.00 C ATOM 523 C GLY A 34 8.690 -0.032 -0.420 1.00 0.00 C ATOM 524 O GLY A 34 9.248 0.962 0.038 1.00 0.00 O ATOM 0 H GLY A 34 6.226 0.371 -0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.786 -0.669 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.768 1.066 -2.009 1.00 0.00 H new ATOM 528 N GLY A 35 8.938 -1.279 0.003 1.00 0.00 N ATOM 529 CA GLY A 35 9.917 -1.549 1.056 1.00 0.00 C ATOM 530 C GLY A 35 9.376 -1.224 2.437 1.00 0.00 C ATOM 531 O GLY A 35 8.305 -0.617 2.549 1.00 0.00 O ATOM 0 H GLY A 35 8.476 -2.110 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.208 -2.599 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.817 -0.962 0.873 1.00 0.00 H new ATOM 535 N CYS A 36 10.115 -1.626 3.491 1.00 0.00 N ATOM 536 CA CYS A 36 9.719 -1.383 4.898 1.00 0.00 C ATOM 537 C CYS A 36 8.593 -2.342 5.348 1.00 0.00 C ATOM 538 O CYS A 36 8.393 -3.390 4.728 1.00 0.00 O ATOM 539 CB CYS A 36 9.335 0.100 5.105 1.00 0.00 C ATOM 540 SG CYS A 36 10.757 1.242 5.026 1.00 0.00 S ATOM 0 H CYS A 36 10.999 -2.126 3.395 1.00 0.00 H new ATOM 0 HA CYS A 36 10.579 -1.595 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.607 0.387 4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.846 0.208 6.073 1.00 0.00 H new ATOM 545 N ARG A 37 7.875 -1.986 6.436 1.00 0.00 N ATOM 546 CA ARG A 37 6.799 -2.789 6.993 1.00 0.00 C ATOM 547 C ARG A 37 5.492 -2.649 6.175 1.00 0.00 C ATOM 548 O ARG A 37 4.392 -2.491 6.716 1.00 0.00 O ATOM 549 CB ARG A 37 6.687 -2.386 8.487 1.00 0.00 C ATOM 550 CG ARG A 37 5.374 -2.676 9.202 1.00 0.00 C ATOM 551 CD ARG A 37 4.975 -4.159 9.207 1.00 0.00 C ATOM 552 NE ARG A 37 6.036 -5.036 9.718 1.00 0.00 N ATOM 553 CZ ARG A 37 5.897 -6.348 9.957 1.00 0.00 C ATOM 554 NH1 ARG A 37 4.731 -6.964 9.761 1.00 0.00 N ATOM 555 NH2 ARG A 37 6.933 -7.048 10.398 1.00 0.00 N ATOM 0 H ARG A 37 8.040 -1.119 6.948 1.00 0.00 H new ATOM 0 HA ARG A 37 7.007 -3.857 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.484 -2.892 9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.880 -1.316 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.450 -2.328 10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.580 -2.099 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.080 -4.287 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.716 -4.464 8.193 1.00 0.00 H new ATOM 0 HE ARG A 37 6.946 -4.616 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.926 -6.436 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.644 -7.963 9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.830 -6.588 10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.833 -8.046 10.582 1.00 0.00 H new ATOM 569 N ALA A 38 5.648 -2.740 4.841 1.00 0.00 N ATOM 570 CA ALA A 38 4.545 -2.661 3.855 1.00 0.00 C ATOM 571 C ALA A 38 3.503 -1.560 4.165 1.00 0.00 C ATOM 572 O ALA A 38 2.336 -1.659 3.763 1.00 0.00 O ATOM 573 CB ALA A 38 3.886 -4.033 3.696 1.00 0.00 C ATOM 0 H ALA A 38 6.561 -2.873 4.406 1.00 0.00 H new ATOM 0 HA ALA A 38 4.993 -2.364 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.076 -3.966 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.626 -4.754 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.486 -4.358 4.656 1.00 0.00 H new ATOM 579 N LYS A 39 3.959 -0.503 4.880 1.00 0.00 N ATOM 580 CA LYS A 39 3.155 0.657 5.292 1.00 0.00 C ATOM 581 C LYS A 39 1.754 0.265 5.812 1.00 0.00 C ATOM 582 O LYS A 39 0.809 1.052 5.745 1.00 0.00 O ATOM 583 CB LYS A 39 3.083 1.647 4.124 1.00 0.00 C ATOM 584 CG LYS A 39 3.248 3.120 4.511 1.00 0.00 C ATOM 585 CD LYS A 39 2.014 3.708 5.187 1.00 0.00 C ATOM 586 CE LYS A 39 2.264 5.138 5.639 1.00 0.00 C ATOM 587 NZ LYS A 39 1.060 5.746 6.268 1.00 0.00 N ATOM 0 H LYS A 39 4.928 -0.439 5.192 1.00 0.00 H new ATOM 0 HA LYS A 39 3.645 1.134 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.856 1.389 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.123 1.524 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.102 3.219 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.475 3.700 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.171 3.684 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.740 3.095 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.090 5.154 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.568 5.740 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.000 6.750 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.208 5.250 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.130 5.664 7.302 1.00 0.00 H new ATOM 601 N SER A 40 1.650 -0.977 6.349 1.00 0.00 N ATOM 602 CA SER A 40 0.400 -1.548 6.915 1.00 0.00 C ATOM 603 C SER A 40 -0.756 -1.646 5.885 1.00 0.00 C ATOM 604 O SER A 40 -1.271 -2.744 5.657 1.00 0.00 O ATOM 605 CB SER A 40 -0.031 -0.784 8.177 1.00 0.00 C ATOM 606 OG SER A 40 -1.144 -1.399 8.806 1.00 0.00 O ATOM 0 H SER A 40 2.441 -1.618 6.402 1.00 0.00 H new ATOM 0 HA SER A 40 0.632 -2.575 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.803 -0.737 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.283 0.243 7.913 1.00 0.00 H new ATOM 0 HG SER A 40 -1.391 -0.889 9.605 1.00 0.00 H new ATOM 612 N ASN A 41 -1.146 -0.512 5.247 1.00 0.00 N ATOM 613 CA ASN A 41 -2.206 -0.491 4.235 1.00 0.00 C ATOM 614 C ASN A 41 -1.754 -1.339 3.052 1.00 0.00 C ATOM 615 O ASN A 41 -0.598 -1.214 2.634 1.00 0.00 O ATOM 616 CB ASN A 41 -2.448 0.952 3.777 1.00 0.00 C ATOM 617 CG ASN A 41 -3.840 1.183 3.212 1.00 0.00 C ATOM 618 OD1 ASN A 41 -4.832 1.053 3.926 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.917 1.548 1.933 1.00 0.00 N ATOM 0 H ASN A 41 -0.730 0.402 5.426 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.133 -0.889 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.291 1.624 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.709 1.213 3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.826 1.732 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.067 1.643 1.378 1.00 0.00 H new ATOM 626 N ASN A 42 -2.632 -2.223 2.537 1.00 0.00 N ATOM 627 CA ASN A 42 -2.283 -3.121 1.428 1.00 0.00 C ATOM 628 C ASN A 42 -3.384 -4.170 1.305 1.00 0.00 C ATOM 629 O ASN A 42 -3.466 -5.095 2.123 1.00 0.00 O ATOM 630 CB ASN A 42 -0.891 -3.769 1.693 1.00 0.00 C ATOM 631 CG ASN A 42 -0.468 -4.833 0.685 1.00 0.00 C ATOM 632 OD1 ASN A 42 -1.158 -5.832 0.483 1.00 0.00 O ATOM 633 ND2 ASN A 42 0.686 -4.623 0.061 1.00 0.00 N ATOM 0 H ASN A 42 -3.588 -2.331 2.875 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.210 -2.573 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.137 -2.981 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.899 -4.216 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.031 -5.304 -0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.227 -3.781 0.258 1.00 0.00 H new ATOM 640 N PHE A 43 -4.247 -4.004 0.301 1.00 0.00 N ATOM 641 CA PHE A 43 -5.352 -4.923 0.099 1.00 0.00 C ATOM 642 C PHE A 43 -5.438 -5.374 -1.358 1.00 0.00 C ATOM 643 O PHE A 43 -4.780 -4.797 -2.229 1.00 0.00 O ATOM 644 CB PHE A 43 -6.686 -4.321 0.580 1.00 0.00 C ATOM 645 CG PHE A 43 -6.651 -2.910 1.102 1.00 0.00 C ATOM 646 CD1 PHE A 43 -6.120 -2.622 2.349 1.00 0.00 C ATOM 647 CD2 PHE A 43 -7.166 -1.876 0.344 1.00 0.00 C ATOM 648 CE1 PHE A 43 -6.104 -1.327 2.822 1.00 0.00 C ATOM 649 CE2 PHE A 43 -7.157 -0.583 0.817 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.625 -0.307 2.056 1.00 0.00 C ATOM 0 H PHE A 43 -4.197 -3.244 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.157 -5.806 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.393 -4.358 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.083 -4.963 1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.715 -3.419 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.581 -2.084 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.683 -1.112 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.567 0.215 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.616 0.707 2.427 1.00 0.00 H new ATOM 660 N LYS A 44 -6.220 -6.440 -1.611 1.00 0.00 N ATOM 661 CA LYS A 44 -6.346 -6.999 -2.971 1.00 0.00 C ATOM 662 C LYS A 44 -7.806 -7.326 -3.367 1.00 0.00 C ATOM 663 O LYS A 44 -8.034 -7.977 -4.394 1.00 0.00 O ATOM 664 CB LYS A 44 -5.479 -8.263 -3.066 1.00 0.00 C ATOM 665 CG LYS A 44 -5.097 -8.676 -4.491 1.00 0.00 C ATOM 666 CD LYS A 44 -4.325 -10.000 -4.530 1.00 0.00 C ATOM 667 CE LYS A 44 -2.830 -9.829 -4.247 1.00 0.00 C ATOM 668 NZ LYS A 44 -2.556 -9.436 -2.835 1.00 0.00 N ATOM 0 H LYS A 44 -6.768 -6.927 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.005 -6.237 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.566 -8.104 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.012 -9.088 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.000 -8.768 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.490 -7.892 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.752 -10.685 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.453 -10.460 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.313 -10.763 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.421 -9.073 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.653 -9.850 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.502 -8.400 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.322 -9.784 -2.223 1.00 0.00 H new ATOM 682 N SER A 45 -8.791 -6.875 -2.570 1.00 0.00 N ATOM 683 CA SER A 45 -10.222 -7.138 -2.863 1.00 0.00 C ATOM 684 C SER A 45 -11.142 -6.204 -2.068 1.00 0.00 C ATOM 685 O SER A 45 -10.668 -5.309 -1.368 1.00 0.00 O ATOM 686 CB SER A 45 -10.590 -8.607 -2.554 1.00 0.00 C ATOM 687 OG SER A 45 -9.900 -9.507 -3.404 1.00 0.00 O ATOM 0 H SER A 45 -8.630 -6.330 -1.723 1.00 0.00 H new ATOM 0 HA SER A 45 -10.368 -6.948 -3.926 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.351 -8.832 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.665 -8.746 -2.671 1.00 0.00 H new ATOM 0 HG SER A 45 -9.412 -9.002 -4.088 1.00 0.00 H new ATOM 693 N ALA A 46 -12.470 -6.431 -2.184 1.00 0.00 N ATOM 694 CA ALA A 46 -13.484 -5.631 -1.488 1.00 0.00 C ATOM 695 C ALA A 46 -13.481 -5.885 0.020 1.00 0.00 C ATOM 696 O ALA A 46 -13.592 -4.947 0.814 1.00 0.00 O ATOM 697 CB ALA A 46 -14.863 -5.904 -2.072 1.00 0.00 C ATOM 0 H ALA A 46 -12.861 -7.174 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.233 -4.581 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.606 -5.304 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.868 -5.643 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.104 -6.961 -1.958 1.00 0.00 H new ATOM 703 N GLU A 47 -13.325 -7.159 0.396 1.00 0.00 N ATOM 704 CA GLU A 47 -13.273 -7.577 1.802 1.00 0.00 C ATOM 705 C GLU A 47 -11.936 -7.154 2.428 1.00 0.00 C ATOM 706 O GLU A 47 -11.864 -6.792 3.605 1.00 0.00 O ATOM 707 CB GLU A 47 -13.466 -9.089 1.908 1.00 0.00 C ATOM 708 CG GLU A 47 -13.872 -9.582 3.299 1.00 0.00 C ATOM 709 CD GLU A 47 -14.062 -11.094 3.386 1.00 0.00 C ATOM 710 OE1 GLU A 47 -13.882 -11.794 2.362 1.00 0.00 O ATOM 711 OE2 GLU A 47 -14.392 -11.580 4.488 1.00 0.00 O ATOM 0 H GLU A 47 -13.231 -7.930 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.079 -7.089 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.227 -9.396 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.538 -9.582 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.111 -9.279 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.800 -9.091 3.592 1.00 0.00 H new ATOM 718 N ASP A 48 -10.905 -7.173 1.582 1.00 0.00 N ATOM 719 CA ASP A 48 -9.542 -6.777 1.922 1.00 0.00 C ATOM 720 C ASP A 48 -9.460 -5.286 2.245 1.00 0.00 C ATOM 721 O ASP A 48 -8.861 -4.852 3.228 1.00 0.00 O ATOM 722 CB ASP A 48 -8.674 -7.046 0.713 1.00 0.00 C ATOM 723 CG ASP A 48 -8.226 -8.491 0.594 1.00 0.00 C ATOM 724 OD1 ASP A 48 -7.522 -8.972 1.505 1.00 0.00 O ATOM 725 OD2 ASP A 48 -8.575 -9.141 -0.410 1.00 0.00 O ATOM 0 H ASP A 48 -11.001 -7.474 0.612 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.215 -7.339 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.224 -6.770 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.794 -6.404 0.758 1.00 0.00 H new ATOM 730 N CYS A 49 -10.059 -4.534 1.340 1.00 0.00 N ATOM 731 CA CYS A 49 -10.128 -3.079 1.362 1.00 0.00 C ATOM 732 C CYS A 49 -11.040 -2.557 2.481 1.00 0.00 C ATOM 733 O CYS A 49 -10.724 -1.560 3.151 1.00 0.00 O ATOM 734 CB CYS A 49 -10.686 -2.679 0.009 1.00 0.00 C ATOM 735 SG CYS A 49 -10.163 -1.055 -0.618 1.00 0.00 S ATOM 0 H CYS A 49 -10.533 -4.936 0.532 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.143 -2.653 1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.399 -3.438 -0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.774 -2.690 0.069 1.00 0.00 H new ATOM 740 N MET A 50 -12.176 -3.247 2.664 1.00 0.00 N ATOM 741 CA MET A 50 -13.174 -2.890 3.671 1.00 0.00 C ATOM 742 C MET A 50 -12.715 -3.196 5.095 1.00 0.00 C ATOM 743 O MET A 50 -12.899 -2.376 5.997 1.00 0.00 O ATOM 744 CB MET A 50 -14.480 -3.602 3.372 1.00 0.00 C ATOM 745 CG MET A 50 -15.345 -2.881 2.351 1.00 0.00 C ATOM 746 SD MET A 50 -16.910 -3.720 2.046 1.00 0.00 S ATOM 747 CE MET A 50 -17.680 -2.573 0.907 1.00 0.00 C ATOM 0 H MET A 50 -12.424 -4.069 2.114 1.00 0.00 H new ATOM 0 HA MET A 50 -13.319 -1.811 3.616 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.262 -4.606 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.043 -3.715 4.298 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.543 -1.868 2.700 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.796 -2.793 1.413 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.662 -2.949 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.790 -1.601 1.388 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.057 -2.470 0.018 1.00 0.00 H new ATOM 757 N ARG A 51 -12.106 -4.375 5.283 1.00 0.00 N ATOM 758 CA ARG A 51 -11.595 -4.815 6.592 1.00 0.00 C ATOM 759 C ARG A 51 -10.610 -3.799 7.193 1.00 0.00 C ATOM 760 O ARG A 51 -10.548 -3.620 8.414 1.00 0.00 O ATOM 761 CB ARG A 51 -10.902 -6.183 6.440 1.00 0.00 C ATOM 762 CG ARG A 51 -9.634 -6.138 5.595 1.00 0.00 C ATOM 763 CD ARG A 51 -9.098 -7.506 5.253 1.00 0.00 C ATOM 764 NE ARG A 51 -7.804 -7.402 4.569 1.00 0.00 N ATOM 765 CZ ARG A 51 -6.980 -8.434 4.331 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.291 -9.668 4.721 1.00 0.00 N ATOM 767 NH2 ARG A 51 -5.835 -8.223 3.696 1.00 0.00 N ATOM 0 H ARG A 51 -11.953 -5.051 4.534 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.443 -4.897 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.655 -6.567 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.602 -6.887 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.839 -5.594 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.868 -5.578 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.987 -8.096 6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.810 -8.032 4.617 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.510 -6.478 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.169 -9.842 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.651 -10.439 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.586 -7.282 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.203 -9.002 3.511 1.00 0.00 H new ATOM 781 N THR A 52 -9.824 -3.175 6.304 1.00 0.00 N ATOM 782 CA THR A 52 -8.806 -2.211 6.694 1.00 0.00 C ATOM 783 C THR A 52 -9.392 -0.804 6.936 1.00 0.00 C ATOM 784 O THR A 52 -9.179 -0.234 8.010 1.00 0.00 O ATOM 785 CB THR A 52 -7.681 -2.160 5.656 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.376 -3.458 5.174 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.381 -1.569 6.188 1.00 0.00 C ATOM 0 H THR A 52 -9.882 -3.330 5.297 1.00 0.00 H new ATOM 0 HA THR A 52 -8.391 -2.551 7.643 1.00 0.00 H new ATOM 0 HB THR A 52 -8.065 -1.515 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.971 -3.390 4.284 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.632 -1.566 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.557 -0.547 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.023 -2.170 7.024 1.00 0.00 H new ATOM 795 N CYS A 53 -10.107 -0.234 5.937 1.00 0.00 N ATOM 796 CA CYS A 53 -10.676 1.121 6.093 1.00 0.00 C ATOM 797 C CYS A 53 -12.116 1.248 5.573 1.00 0.00 C ATOM 798 O CYS A 53 -12.708 2.333 5.644 1.00 0.00 O ATOM 799 CB CYS A 53 -9.792 2.159 5.390 1.00 0.00 C ATOM 800 SG CYS A 53 -9.944 3.826 6.104 1.00 0.00 S ATOM 0 H CYS A 53 -10.299 -0.678 5.039 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.704 1.308 7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.751 1.839 5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.057 2.197 4.333 1.00 0.00 H new ATOM 805 N GLY A 54 -12.681 0.151 5.059 1.00 0.00 N ATOM 806 CA GLY A 54 -14.049 0.170 4.534 1.00 0.00 C ATOM 807 C GLY A 54 -15.116 0.181 5.622 1.00 0.00 C ATOM 808 O GLY A 54 -16.032 1.008 5.585 1.00 0.00 O ATOM 0 H GLY A 54 -12.216 -0.755 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.176 1.050 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.198 -0.703 3.898 1.00 0.00 H new ATOM 812 N GLY A 55 -14.988 -0.738 6.584 1.00 0.00 N ATOM 813 CA GLY A 55 -15.944 -0.830 7.679 1.00 0.00 C ATOM 814 C GLY A 55 -15.330 -1.414 8.937 1.00 0.00 C ATOM 815 O GLY A 55 -15.665 -2.534 9.330 1.00 0.00 O ATOM 0 H GLY A 55 -14.234 -1.423 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.338 0.162 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.788 -1.447 7.370 1.00 0.00 H new ATOM 819 N ALA A 56 -14.432 -0.647 9.561 1.00 0.00 N ATOM 820 CA ALA A 56 -13.757 -1.075 10.786 1.00 0.00 C ATOM 821 C ALA A 56 -13.939 -0.051 11.901 1.00 0.00 C ATOM 822 O ALA A 56 -13.861 1.161 11.608 1.00 0.00 O ATOM 823 CB ALA A 56 -12.278 -1.309 10.517 1.00 0.00 C ATOM 824 OXT ALA A 56 -14.159 -0.469 13.057 1.00 0.00 O ATOM 0 H ALA A 56 -14.155 0.279 9.234 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.209 -2.011 11.113 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.787 -1.627 11.437 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.164 -2.083 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.822 -0.384 10.163 1.00 0.00 H new TER 830 ALA A 56