USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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 144 MET CE :methyl -145:sc= -3.27 (180deg=-5.06!) USER MOD Set 1.2: B1919 TYR OH : rot 167:sc= -0.453 USER MOD Set 2.1: A 124 MET CE :methyl -145:sc= -3.37! (180deg=-6.71!) USER MOD Set 2.2: B1916 TYR OH : rot -173:sc= 0.556 USER MOD Set 3.1: A 107 HIS : no HD1:sc= -1.84 X(o=-2.7,f=-3) USER MOD Set 3.2: A 110 THR OG1 : rot -87:sc= 0.838 USER MOD Set 3.3: A 111 ASN :FLIP amide:sc= -1.67 F(o=-4.2,f=-2.7) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -83:sc= -2.38 USER MOD Single : A 109 MET CE :methyl 141:sc= -0.283 (180deg=-2.79!) USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= -0.328 (180deg=-1.37!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 137 ASN : amide:sc= -0.165 K(o=-0.17,f=-4.5!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.474 USER MOD Single : A 145 MET CE :methyl -176:sc= -4.44! (180deg=-4.56!) USER MOD Single : B1908 SER OG : rot -64:sc= 1.26 USER MOD Single : B1913 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.521 10.193 2.272 1.00 0.00 N ATOM 87 CA SER A 81 0.761 8.885 1.677 1.00 0.00 C ATOM 88 C SER A 81 1.595 8.001 2.601 1.00 0.00 C ATOM 89 O SER A 81 1.167 6.915 2.987 1.00 0.00 O ATOM 90 CB SER A 81 1.466 9.037 0.329 1.00 0.00 C ATOM 91 OG SER A 81 0.534 9.300 -0.706 1.00 0.00 O ATOM 0 HA SER A 81 -0.206 8.405 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.192 9.848 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.021 8.127 0.101 1.00 0.00 H new ATOM 0 HG SER A 81 1.009 9.395 -1.558 1.00 0.00 H new ATOM 97 N GLU A 82 2.790 8.470 2.942 1.00 0.00 N ATOM 98 CA GLU A 82 3.691 7.717 3.810 1.00 0.00 C ATOM 99 C GLU A 82 3.052 7.423 5.166 1.00 0.00 C ATOM 100 O GLU A 82 2.949 6.268 5.573 1.00 0.00 O ATOM 101 CB GLU A 82 4.998 8.487 4.010 1.00 0.00 C ATOM 102 CG GLU A 82 6.106 7.651 4.630 1.00 0.00 C ATOM 103 CD GLU A 82 7.459 7.913 3.996 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.710 9.067 3.590 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.266 6.964 3.904 1.00 0.00 O ATOM 0 H GLU A 82 3.159 9.369 2.631 1.00 0.00 H new ATOM 0 HA GLU A 82 3.900 6.765 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.337 8.868 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.807 9.352 4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.162 7.863 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.859 6.594 4.528 1.00 0.00 H new ATOM 112 N GLU A 83 2.639 8.472 5.868 1.00 0.00 N ATOM 113 CA GLU A 83 2.027 8.322 7.187 1.00 0.00 C ATOM 114 C GLU A 83 0.827 7.373 7.153 1.00 0.00 C ATOM 115 O GLU A 83 0.678 6.520 8.028 1.00 0.00 O ATOM 116 CB GLU A 83 1.595 9.685 7.729 1.00 0.00 C ATOM 117 CG GLU A 83 1.712 9.803 9.241 1.00 0.00 C ATOM 118 CD GLU A 83 1.571 11.232 9.727 1.00 0.00 C ATOM 119 OE1 GLU A 83 0.667 11.940 9.235 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 2.364 11.644 10.599 1.00 0.00 O ATOM 0 H GLU A 83 2.716 9.437 5.547 1.00 0.00 H new ATOM 0 HA GLU A 83 2.778 7.889 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.203 10.461 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.562 9.872 7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.945 9.186 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.677 9.409 9.559 1.00 0.00 H new ATOM 127 N GLU A 84 -0.028 7.530 6.148 1.00 0.00 N ATOM 128 CA GLU A 84 -1.213 6.687 6.019 1.00 0.00 C ATOM 129 C GLU A 84 -0.845 5.279 5.557 1.00 0.00 C ATOM 130 O GLU A 84 -1.355 4.290 6.084 1.00 0.00 O ATOM 131 CB GLU A 84 -2.204 7.314 5.037 1.00 0.00 C ATOM 132 CG GLU A 84 -2.834 8.601 5.543 1.00 0.00 C ATOM 133 CD GLU A 84 -4.163 8.902 4.880 1.00 0.00 C ATOM 134 OE1 GLU A 84 -4.169 9.196 3.666 1.00 0.00 O1- ATOM 135 OE2 GLU A 84 -5.200 8.844 5.575 1.00 0.00 O ATOM 0 H GLU A 84 0.076 8.230 5.413 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.678 6.612 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.691 7.516 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.993 6.594 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.978 8.531 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.149 9.430 5.367 1.00 0.00 H new ATOM 142 N LEU A 85 0.037 5.197 4.569 1.00 0.00 N ATOM 143 CA LEU A 85 0.472 3.912 4.029 1.00 0.00 C ATOM 144 C LEU A 85 1.158 3.069 5.105 1.00 0.00 C ATOM 145 O LEU A 85 0.875 1.881 5.248 1.00 0.00 O ATOM 146 CB LEU A 85 1.408 4.145 2.835 1.00 0.00 C ATOM 147 CG LEU A 85 2.181 2.922 2.332 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.239 1.764 2.058 1.00 0.00 C ATOM 149 CD2 LEU A 85 2.966 3.276 1.078 1.00 0.00 C ATOM 0 H LEU A 85 0.467 6.007 4.123 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.403 3.359 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.817 4.540 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.128 4.916 3.110 1.00 0.00 H new ATOM 0 HG LEU A 85 2.881 2.614 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.810 0.907 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.716 1.496 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.513 2.057 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.511 2.399 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.279 3.608 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.672 4.075 1.304 1.00 0.00 H new ATOM 161 N ILE A 86 2.059 3.692 5.857 1.00 0.00 N ATOM 162 CA ILE A 86 2.780 2.997 6.916 1.00 0.00 C ATOM 163 C ILE A 86 1.814 2.486 7.988 1.00 0.00 C ATOM 164 O ILE A 86 1.970 1.377 8.497 1.00 0.00 O ATOM 165 CB ILE A 86 3.846 3.917 7.559 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.850 4.373 6.500 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.569 3.215 8.703 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.561 5.661 6.854 1.00 0.00 C ATOM 0 H ILE A 86 2.307 4.676 5.753 1.00 0.00 H new ATOM 0 HA ILE A 86 3.286 2.143 6.465 1.00 0.00 H new ATOM 0 HB ILE A 86 3.337 4.788 7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.591 3.588 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.330 4.504 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.311 3.889 9.132 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.848 2.932 9.470 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.066 2.321 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.257 5.923 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.829 6.460 6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.110 5.529 7.787 1.00 0.00 H new ATOM 180 N GLU A 87 0.818 3.299 8.321 1.00 0.00 N ATOM 181 CA GLU A 87 -0.167 2.924 9.329 1.00 0.00 C ATOM 182 C GLU A 87 -1.108 1.848 8.793 1.00 0.00 C ATOM 183 O GLU A 87 -1.454 0.899 9.499 1.00 0.00 O ATOM 184 CB GLU A 87 -0.971 4.150 9.769 1.00 0.00 C ATOM 185 CG GLU A 87 -1.363 4.128 11.237 1.00 0.00 C ATOM 186 CD GLU A 87 -2.555 5.017 11.537 1.00 0.00 C ATOM 187 OE1 GLU A 87 -2.635 6.118 10.953 1.00 0.00 O1- ATOM 188 OE2 GLU A 87 -3.407 4.612 12.355 1.00 0.00 O ATOM 0 H GLU A 87 0.671 4.220 7.909 1.00 0.00 H new ATOM 0 HA GLU A 87 0.365 2.521 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.385 5.048 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.874 4.219 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.595 3.105 11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.514 4.449 11.841 1.00 0.00 H new ATOM 195 N ALA A 88 -1.512 2.002 7.537 1.00 0.00 N ATOM 196 CA ALA A 88 -2.408 1.045 6.903 1.00 0.00 C ATOM 197 C ALA A 88 -1.784 -0.342 6.865 1.00 0.00 C ATOM 198 O ALA A 88 -2.412 -1.327 7.254 1.00 0.00 O ATOM 199 CB ALA A 88 -2.756 1.502 5.497 1.00 0.00 C ATOM 0 H ALA A 88 -1.233 2.780 6.939 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.322 0.992 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.426 0.778 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.247 2.474 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.845 1.583 4.905 1.00 0.00 H new ATOM 205 N PHE A 89 -0.543 -0.414 6.397 1.00 0.00 N ATOM 206 CA PHE A 89 0.164 -1.683 6.316 1.00 0.00 C ATOM 207 C PHE A 89 0.407 -2.246 7.705 1.00 0.00 C ATOM 208 O PHE A 89 0.356 -3.458 7.918 1.00 0.00 O ATOM 209 CB PHE A 89 1.489 -1.519 5.568 1.00 0.00 C ATOM 210 CG PHE A 89 1.421 -1.899 4.115 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.719 -3.022 3.699 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.066 -1.130 3.161 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.664 -3.367 2.363 1.00 0.00 C ATOM 214 CE2 PHE A 89 2.015 -1.472 1.826 1.00 0.00 C ATOM 215 CZ PHE A 89 1.314 -2.592 1.425 1.00 0.00 C ATOM 0 H PHE A 89 -0.008 0.390 6.069 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.458 -2.385 5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.813 -0.481 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.249 -2.128 6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.210 -3.633 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.616 -0.252 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.113 -4.242 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.524 -0.863 1.093 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.275 -2.861 0.380 1.00 0.00 H new ATOM 225 N LYS A 90 0.665 -1.353 8.650 1.00 0.00 N ATOM 226 CA LYS A 90 0.913 -1.741 10.038 1.00 0.00 C ATOM 227 C LYS A 90 -0.207 -2.643 10.552 1.00 0.00 C ATOM 228 O LYS A 90 0.036 -3.602 11.282 1.00 0.00 O ATOM 229 CB LYS A 90 1.040 -0.498 10.924 1.00 0.00 C ATOM 230 CG LYS A 90 2.480 -0.086 11.185 1.00 0.00 C ATOM 231 CD LYS A 90 2.660 0.456 12.594 1.00 0.00 C ATOM 232 CE LYS A 90 1.881 1.746 12.803 1.00 0.00 C ATOM 233 NZ LYS A 90 1.205 1.778 14.127 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.709 -0.348 8.483 1.00 0.00 H new ATOM 0 HA LYS A 90 1.850 -2.297 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.513 0.331 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.546 -0.688 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.137 -0.943 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.779 0.673 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.329 -0.290 13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.718 0.635 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.558 2.596 12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.137 1.853 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.685 2.673 14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.540 0.982 14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.916 1.702 14.882 1.00 0.00 H new ATOM 247 N VAL A 91 -1.432 -2.332 10.146 1.00 0.00 N ATOM 248 CA VAL A 91 -2.590 -3.121 10.546 1.00 0.00 C ATOM 249 C VAL A 91 -2.481 -4.554 10.024 1.00 0.00 C ATOM 250 O VAL A 91 -3.052 -5.479 10.603 1.00 0.00 O ATOM 251 CB VAL A 91 -3.900 -2.500 10.029 1.00 0.00 C ATOM 252 CG1 VAL A 91 -5.104 -3.220 10.618 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.950 -1.013 10.349 1.00 0.00 C ATOM 0 H VAL A 91 -1.649 -1.540 9.541 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.607 -3.130 11.636 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.931 -2.617 8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.020 -2.766 10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.075 -4.271 10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.080 -3.139 11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.883 -0.592 9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.894 -0.871 11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.109 -0.510 9.873 1.00 0.00 H new ATOM 263 N PHE A 92 -1.749 -4.734 8.924 1.00 0.00 N ATOM 264 CA PHE A 92 -1.574 -6.054 8.327 1.00 0.00 C ATOM 265 C PHE A 92 -0.173 -6.602 8.588 1.00 0.00 C ATOM 266 O PHE A 92 0.347 -7.394 7.802 1.00 0.00 O ATOM 267 CB PHE A 92 -1.827 -5.991 6.820 1.00 0.00 C ATOM 268 CG PHE A 92 -3.254 -5.692 6.459 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.246 -6.642 6.652 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.603 -4.461 5.928 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.558 -6.369 6.319 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.915 -4.183 5.594 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.894 -5.138 5.790 1.00 0.00 C ATOM 0 H PHE A 92 -1.269 -3.982 8.430 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.297 -6.725 8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.184 -5.227 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.540 -6.942 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.990 -7.605 7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.842 -3.711 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.321 -7.118 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.175 -3.220 5.180 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.920 -4.922 5.530 1.00 0.00 H new ATOM 352 N GLY A 98 7.644 -5.632 10.191 1.00 0.00 N ATOM 353 CA GLY A 98 6.905 -4.793 9.266 1.00 0.00 C ATOM 354 C GLY A 98 6.914 -5.337 7.851 1.00 0.00 C ATOM 355 O GLY A 98 7.132 -4.593 6.895 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.875 -4.700 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.333 -3.791 9.269 1.00 0.00 H new ATOM 359 N LEU A 99 6.676 -6.638 7.714 1.00 0.00 N ATOM 360 CA LEU A 99 6.657 -7.278 6.404 1.00 0.00 C ATOM 361 C LEU A 99 5.267 -7.815 6.076 1.00 0.00 C ATOM 362 O LEU A 99 4.493 -8.153 6.971 1.00 0.00 O ATOM 363 CB LEU A 99 7.684 -8.412 6.350 1.00 0.00 C ATOM 364 CG LEU A 99 9.086 -7.995 5.905 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.655 -6.946 6.848 1.00 0.00 C ATOM 366 CD2 LEU A 99 10.005 -9.205 5.835 1.00 0.00 C ATOM 0 H LEU A 99 6.494 -7.269 8.494 1.00 0.00 H new ATOM 0 HA LEU A 99 6.918 -6.526 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.753 -8.866 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.318 -9.181 5.670 1.00 0.00 H new ATOM 0 HG LEU A 99 9.015 -7.559 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.653 -6.661 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.009 -6.068 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.711 -7.356 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.999 -8.889 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.070 -9.670 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.606 -9.924 5.119 1.00 0.00 H new ATOM 378 N ILE A 100 4.959 -7.888 4.785 1.00 0.00 N ATOM 379 CA ILE A 100 3.663 -8.381 4.337 1.00 0.00 C ATOM 380 C ILE A 100 3.812 -9.258 3.095 1.00 0.00 C ATOM 381 O ILE A 100 4.393 -8.841 2.093 1.00 0.00 O ATOM 382 CB ILE A 100 2.693 -7.215 4.041 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.292 -7.749 3.738 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.205 -6.357 2.890 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.217 -6.686 3.797 1.00 0.00 C ATOM 0 H ILE A 100 5.589 -7.612 4.032 1.00 0.00 H new ATOM 0 HA ILE A 100 3.247 -8.982 5.145 1.00 0.00 H new ATOM 0 HB ILE A 100 2.637 -6.585 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.291 -8.202 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.051 -8.539 4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.504 -5.544 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.179 -5.943 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.299 -6.970 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.751 -7.134 3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.191 -6.250 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.435 -5.907 3.066 1.00 0.00 H new ATOM 397 N SER A 101 3.289 -10.478 3.173 1.00 0.00 N ATOM 398 CA SER A 101 3.369 -11.419 2.060 1.00 0.00 C ATOM 399 C SER A 101 2.510 -10.959 0.886 1.00 0.00 C ATOM 400 O SER A 101 1.395 -10.470 1.071 1.00 0.00 O ATOM 401 CB SER A 101 2.938 -12.818 2.515 1.00 0.00 C ATOM 402 OG SER A 101 2.220 -12.762 3.736 1.00 0.00 O ATOM 0 H SER A 101 2.805 -10.838 3.995 1.00 0.00 H new ATOM 0 HA SER A 101 4.406 -11.458 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.317 -13.278 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.817 -13.451 2.636 1.00 0.00 H new ATOM 0 HG SER A 101 2.851 -12.729 4.485 1.00 0.00 H new ATOM 408 N ALA A 102 3.040 -11.118 -0.323 1.00 0.00 N ATOM 409 CA ALA A 102 2.330 -10.722 -1.532 1.00 0.00 C ATOM 410 C ALA A 102 1.159 -11.656 -1.821 1.00 0.00 C ATOM 411 O ALA A 102 0.108 -11.222 -2.293 1.00 0.00 O ATOM 412 CB ALA A 102 3.284 -10.694 -2.716 1.00 0.00 C ATOM 0 H ALA A 102 3.962 -11.520 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 102 1.929 -9.721 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.741 -10.397 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.084 -9.979 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.711 -11.686 -2.862 1.00 0.00 H new ATOM 418 N ALA A 103 1.349 -12.943 -1.539 1.00 0.00 N ATOM 419 CA ALA A 103 0.309 -13.943 -1.773 1.00 0.00 C ATOM 420 C ALA A 103 -0.993 -13.575 -1.067 1.00 0.00 C ATOM 421 O ALA A 103 -2.054 -13.523 -1.688 1.00 0.00 O ATOM 422 CB ALA A 103 0.787 -15.314 -1.319 1.00 0.00 C ATOM 0 H ALA A 103 2.213 -13.318 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 103 0.108 -13.971 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.004 -16.050 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.681 -15.591 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.020 -15.284 -0.255 1.00 0.00 H new ATOM 428 N GLU A 104 -0.904 -13.319 0.234 1.00 0.00 N ATOM 429 CA GLU A 104 -2.076 -12.954 1.021 1.00 0.00 C ATOM 430 C GLU A 104 -2.474 -11.505 0.763 1.00 0.00 C ATOM 431 O GLU A 104 -3.658 -11.178 0.690 1.00 0.00 O ATOM 432 CB GLU A 104 -1.810 -13.161 2.512 1.00 0.00 C ATOM 433 CG GLU A 104 -0.493 -12.570 2.987 1.00 0.00 C ATOM 434 CD GLU A 104 -0.403 -12.490 4.499 1.00 0.00 C ATOM 435 OE1 GLU A 104 -0.798 -13.465 5.170 1.00 0.00 O ATOM 436 OE2 GLU A 104 0.063 -11.450 5.010 1.00 0.00 O1- ATOM 0 H GLU A 104 -0.034 -13.357 0.765 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.898 -13.601 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.625 -12.715 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.817 -14.229 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.331 -13.176 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.374 -11.572 2.566 1.00 0.00 H new ATOM 443 N LEU A 105 -1.472 -10.643 0.626 1.00 0.00 N ATOM 444 CA LEU A 105 -1.704 -9.222 0.378 1.00 0.00 C ATOM 445 C LEU A 105 -2.580 -9.009 -0.856 1.00 0.00 C ATOM 446 O LEU A 105 -3.430 -8.119 -0.877 1.00 0.00 O ATOM 447 CB LEU A 105 -0.367 -8.495 0.198 1.00 0.00 C ATOM 448 CG LEU A 105 -0.472 -7.010 -0.163 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.384 -6.283 0.813 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.907 -6.369 -0.186 1.00 0.00 C ATOM 0 H LEU A 105 -0.487 -10.904 0.683 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.228 -8.812 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.205 -8.588 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.201 -9.002 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.906 -6.929 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.445 -5.230 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.380 -6.725 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.982 -6.372 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.814 -5.314 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.368 -6.462 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.529 -6.870 -0.928 1.00 0.00 H new ATOM 462 N ARG A 106 -2.362 -9.824 -1.880 1.00 0.00 N ATOM 463 CA ARG A 106 -3.128 -9.719 -3.115 1.00 0.00 C ATOM 464 C ARG A 106 -4.617 -9.939 -2.861 1.00 0.00 C ATOM 465 O ARG A 106 -5.449 -9.134 -3.272 1.00 0.00 O ATOM 466 CB ARG A 106 -2.614 -10.733 -4.143 1.00 0.00 C ATOM 467 CG ARG A 106 -3.379 -10.714 -5.459 1.00 0.00 C ATOM 468 CD ARG A 106 -2.458 -10.958 -6.644 1.00 0.00 C ATOM 469 NE ARG A 106 -3.202 -11.278 -7.860 1.00 0.00 N ATOM 470 CZ ARG A 106 -3.868 -12.417 -8.051 1.00 0.00 C ATOM 471 NH1 ARG A 106 -3.889 -13.355 -7.109 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -4.517 -12.620 -9.190 1.00 0.00 N ATOM 0 H ARG A 106 -1.661 -10.565 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.997 -8.711 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.561 -10.533 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.672 -11.733 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.158 -11.477 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.878 -9.752 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.846 -10.072 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.776 -11.776 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.213 -10.587 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.393 -13.207 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.402 -14.223 -7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.506 -11.905 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.027 -13.491 -9.338 1.00 0.00 H new ATOM 486 N HIS A 107 -4.944 -11.038 -2.190 1.00 0.00 N ATOM 487 CA HIS A 107 -6.334 -11.370 -1.891 1.00 0.00 C ATOM 488 C HIS A 107 -6.975 -10.330 -0.975 1.00 0.00 C ATOM 489 O HIS A 107 -8.105 -9.901 -1.204 1.00 0.00 O ATOM 490 CB HIS A 107 -6.416 -12.753 -1.244 1.00 0.00 C ATOM 491 CG HIS A 107 -7.819 -13.210 -0.983 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.414 -14.245 -1.673 1.00 0.00 N ATOM 493 CD2 HIS A 107 -8.744 -12.768 -0.098 1.00 0.00 C ATOM 494 CE1 HIS A 107 -9.645 -14.419 -1.225 1.00 0.00 C ATOM 495 NE2 HIS A 107 -9.869 -13.537 -0.269 1.00 0.00 N ATOM 0 H HIS A 107 -4.265 -11.715 -1.842 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.884 -11.375 -2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.921 -13.478 -1.891 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.866 -12.738 -0.303 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.620 -11.962 0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.348 -15.157 -1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.737 -13.442 0.258 1.00 0.00 H new ATOM 504 N VAL A 108 -6.250 -9.938 0.067 1.00 0.00 N ATOM 505 CA VAL A 108 -6.748 -8.958 1.027 1.00 0.00 C ATOM 506 C VAL A 108 -7.178 -7.657 0.352 1.00 0.00 C ATOM 507 O VAL A 108 -8.346 -7.276 0.407 1.00 0.00 O ATOM 508 CB VAL A 108 -5.685 -8.635 2.097 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.281 -7.774 3.203 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.083 -9.916 2.666 1.00 0.00 C ATOM 0 H VAL A 108 -5.312 -10.285 0.269 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.619 -9.411 1.499 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.883 -8.069 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.515 -7.557 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.649 -6.840 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.106 -8.308 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.336 -9.664 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.870 -10.516 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.612 -10.484 1.864 1.00 0.00 H new ATOM 520 N MET A 109 -6.223 -6.973 -0.266 1.00 0.00 N ATOM 521 CA MET A 109 -6.493 -5.699 -0.927 1.00 0.00 C ATOM 522 C MET A 109 -7.529 -5.833 -2.047 1.00 0.00 C ATOM 523 O MET A 109 -8.424 -4.997 -2.172 1.00 0.00 O ATOM 524 CB MET A 109 -5.187 -5.109 -1.473 1.00 0.00 C ATOM 525 CG MET A 109 -4.813 -3.775 -0.839 1.00 0.00 C ATOM 526 SD MET A 109 -3.427 -3.905 0.310 1.00 0.00 S ATOM 527 CE MET A 109 -4.276 -4.367 1.819 1.00 0.00 C ATOM 0 H MET A 109 -5.252 -7.279 -0.324 1.00 0.00 H new ATOM 0 HA MET A 109 -6.915 -5.024 -0.182 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.378 -5.821 -1.307 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.280 -4.977 -2.551 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.561 -3.063 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.679 -3.374 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.682 -5.104 2.360 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.415 -3.484 2.443 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.248 -4.794 1.573 1.00 0.00 H new ATOM 537 N THR A 110 -7.403 -6.872 -2.867 1.00 0.00 N ATOM 538 CA THR A 110 -8.333 -7.081 -3.975 1.00 0.00 C ATOM 539 C THR A 110 -9.751 -7.338 -3.477 1.00 0.00 C ATOM 540 O THR A 110 -10.692 -6.659 -3.886 1.00 0.00 O ATOM 541 CB THR A 110 -7.868 -8.242 -4.853 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.762 -9.435 -4.098 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.530 -7.987 -5.512 1.00 0.00 C ATOM 0 H THR A 110 -6.672 -7.579 -2.788 1.00 0.00 H new ATOM 0 HA THR A 110 -8.345 -6.167 -4.569 1.00 0.00 H new ATOM 0 HB THR A 110 -8.625 -8.341 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.875 -9.483 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.255 -8.848 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.599 -7.102 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.771 -7.828 -4.746 1.00 0.00 H new ATOM 551 N ASN A 111 -9.900 -8.319 -2.598 1.00 0.00 N ATOM 552 CA ASN A 111 -11.209 -8.660 -2.055 1.00 0.00 C ATOM 553 C ASN A 111 -11.833 -7.483 -1.302 1.00 0.00 C ATOM 554 O ASN A 111 -13.039 -7.472 -1.056 1.00 0.00 O ATOM 555 CB ASN A 111 -11.101 -9.870 -1.124 1.00 0.00 C ATOM 556 CG ASN A 111 -10.989 -11.177 -1.885 1.00 0.00 C ATOM 557 OD1 ASN A 111 -9.799 -11.462 -2.401 1.00 0.00 O flip ATOM 558 ND2 ASN A 111 -11.961 -11.923 -2.005 1.00 0.00 N flip ATOM 0 H ASN A 111 -9.133 -8.892 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.857 -8.906 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.230 -9.752 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -11.976 -9.905 -0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.857 -11.664 -1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.870 -12.800 -2.518 1.00 0.00 H new ATOM 565 N LEU A 112 -11.015 -6.497 -0.924 1.00 0.00 N ATOM 566 CA LEU A 112 -11.516 -5.340 -0.188 1.00 0.00 C ATOM 567 C LEU A 112 -11.482 -4.061 -1.023 1.00 0.00 C ATOM 568 O LEU A 112 -11.145 -4.073 -2.221 1.00 0.00 O ATOM 569 CB LEU A 112 -10.712 -5.143 1.100 1.00 0.00 C ATOM 570 CG LEU A 112 -9.270 -4.678 0.906 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.215 -3.170 0.704 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.416 -5.093 2.095 1.00 0.00 C ATOM 0 H LEU A 112 -10.013 -6.479 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.559 -5.543 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.230 -4.415 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.702 -6.084 1.650 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.870 -5.155 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.179 -2.859 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.794 -2.900 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.632 -2.670 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.391 -4.755 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.815 -4.643 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.429 -6.179 2.191 1.00 0.00 H new ATOM 584 N GLY A 113 -11.844 -2.956 -0.364 1.00 0.00 N ATOM 585 CA GLY A 113 -11.873 -1.663 -1.013 1.00 0.00 C ATOM 586 C GLY A 113 -12.867 -1.634 -2.149 1.00 0.00 C ATOM 587 O GLY A 113 -13.972 -2.161 -2.028 1.00 0.00 O ATOM 0 H GLY A 113 -12.119 -2.942 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.130 -0.895 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.880 -1.423 -1.392 1.00 0.00 H new ATOM 591 N GLU A 114 -12.469 -1.043 -3.265 1.00 0.00 N ATOM 592 CA GLU A 114 -13.329 -0.979 -4.436 1.00 0.00 C ATOM 593 C GLU A 114 -12.966 -2.111 -5.390 1.00 0.00 C ATOM 594 O GLU A 114 -12.851 -1.911 -6.599 1.00 0.00 O ATOM 595 CB GLU A 114 -13.183 0.374 -5.135 1.00 0.00 C ATOM 596 CG GLU A 114 -11.780 0.642 -5.651 1.00 0.00 C ATOM 597 CD GLU A 114 -11.349 2.081 -5.448 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.091 2.989 -5.877 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.268 2.300 -4.861 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.557 -0.601 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.368 -1.089 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.883 0.420 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.463 1.165 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.078 -0.019 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.735 0.399 -6.713 1.00 0.00 H new ATOM 606 N LYS A 115 -12.761 -3.301 -4.826 1.00 0.00 N ATOM 607 CA LYS A 115 -12.383 -4.465 -5.610 1.00 0.00 C ATOM 608 C LYS A 115 -11.046 -4.210 -6.296 1.00 0.00 C ATOM 609 O LYS A 115 -10.962 -4.172 -7.524 1.00 0.00 O ATOM 610 CB LYS A 115 -13.465 -4.789 -6.644 1.00 0.00 C ATOM 611 CG LYS A 115 -14.774 -5.255 -6.028 1.00 0.00 C ATOM 612 CD LYS A 115 -14.638 -6.634 -5.407 1.00 0.00 C ATOM 613 CE LYS A 115 -14.987 -7.729 -6.402 1.00 0.00 C ATOM 614 NZ LYS A 115 -13.883 -7.970 -7.371 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.852 -3.479 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.282 -5.323 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.653 -3.903 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.094 -5.562 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.093 -4.542 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.550 -5.274 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.617 -6.775 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -15.291 -6.709 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.206 -8.652 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.892 -7.453 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.917 -8.957 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.990 -7.332 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -12.969 -7.790 -6.908 1.00 0.00 H new ATOM 628 N LEU A 116 -9.995 -4.014 -5.491 1.00 0.00 N ATOM 629 CA LEU A 116 -8.656 -3.737 -6.037 1.00 0.00 C ATOM 630 C LEU A 116 -8.292 -4.702 -7.170 1.00 0.00 C ATOM 631 O LEU A 116 -8.401 -5.920 -7.024 1.00 0.00 O ATOM 632 CB LEU A 116 -7.593 -3.798 -4.937 1.00 0.00 C ATOM 633 CG LEU A 116 -6.515 -2.718 -5.027 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.487 -2.904 -3.926 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.845 -2.751 -6.392 1.00 0.00 C ATOM 0 H LEU A 116 -10.041 -4.041 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.682 -2.728 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.087 -3.718 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.112 -4.776 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.987 -1.744 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.726 -2.127 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.977 -2.836 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.018 -3.883 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.080 -1.976 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.384 -3.726 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.590 -2.574 -7.167 1.00 0.00 H new ATOM 647 N THR A 117 -7.869 -4.140 -8.300 1.00 0.00 N ATOM 648 CA THR A 117 -7.500 -4.936 -9.467 1.00 0.00 C ATOM 649 C THR A 117 -6.298 -5.828 -9.180 1.00 0.00 C ATOM 650 O THR A 117 -5.404 -5.462 -8.415 1.00 0.00 O ATOM 651 CB THR A 117 -7.196 -4.022 -10.655 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.508 -2.859 -10.231 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.436 -3.576 -11.401 1.00 0.00 C ATOM 0 H THR A 117 -7.773 -3.133 -8.432 1.00 0.00 H new ATOM 0 HA THR A 117 -8.346 -5.578 -9.710 1.00 0.00 H new ATOM 0 HB THR A 117 -6.582 -4.620 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.321 -2.289 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.149 -2.931 -12.231 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.963 -4.449 -11.786 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.090 -3.027 -10.724 1.00 0.00 H new ATOM 661 N ASP A 118 -6.286 -7.002 -9.804 1.00 0.00 N ATOM 662 CA ASP A 118 -5.197 -7.957 -9.627 1.00 0.00 C ATOM 663 C ASP A 118 -3.908 -7.450 -10.269 1.00 0.00 C ATOM 664 O ASP A 118 -2.810 -7.780 -9.820 1.00 0.00 O ATOM 665 CB ASP A 118 -5.580 -9.310 -10.230 1.00 0.00 C ATOM 666 CG ASP A 118 -6.084 -9.187 -11.655 1.00 0.00 C ATOM 667 OD1 ASP A 118 -7.302 -8.979 -11.839 1.00 0.00 O ATOM 668 OD2 ASP A 118 -5.260 -9.297 -12.588 1.00 0.00 O1- ATOM 0 H ASP A 118 -7.020 -7.316 -10.439 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.023 -8.074 -8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.714 -9.972 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -6.350 -9.774 -9.614 1.00 0.00 H new ATOM 673 N ASP A 119 -4.046 -6.649 -11.321 1.00 0.00 N ATOM 674 CA ASP A 119 -2.890 -6.101 -12.023 1.00 0.00 C ATOM 675 C ASP A 119 -2.181 -5.047 -11.177 1.00 0.00 C ATOM 676 O ASP A 119 -0.958 -5.066 -11.041 1.00 0.00 O ATOM 677 CB ASP A 119 -3.320 -5.493 -13.358 1.00 0.00 C ATOM 678 CG ASP A 119 -2.189 -5.458 -14.368 1.00 0.00 C ATOM 679 OD1 ASP A 119 -1.019 -5.342 -13.946 1.00 0.00 O1- ATOM 680 OD2 ASP A 119 -2.474 -5.545 -15.581 1.00 0.00 O ATOM 0 H ASP A 119 -4.947 -6.365 -11.706 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.192 -6.918 -12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -4.150 -6.069 -13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -3.687 -4.480 -13.192 1.00 0.00 H new ATOM 685 N GLU A 120 -2.956 -4.124 -10.617 1.00 0.00 N ATOM 686 CA GLU A 120 -2.401 -3.057 -9.791 1.00 0.00 C ATOM 687 C GLU A 120 -1.657 -3.624 -8.586 1.00 0.00 C ATOM 688 O GLU A 120 -0.589 -3.135 -8.216 1.00 0.00 O ATOM 689 CB GLU A 120 -3.512 -2.117 -9.321 1.00 0.00 C ATOM 690 CG GLU A 120 -2.997 -0.823 -8.716 1.00 0.00 C ATOM 691 CD GLU A 120 -4.041 -0.118 -7.870 1.00 0.00 C ATOM 692 OE1 GLU A 120 -4.866 0.625 -8.442 1.00 0.00 O ATOM 693 OE2 GLU A 120 -4.034 -0.311 -6.636 1.00 0.00 O1- ATOM 0 H GLU A 120 -3.970 -4.093 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.691 -2.497 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.159 -1.881 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.126 -2.634 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.121 -1.036 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.672 -0.157 -9.515 1.00 0.00 H new ATOM 700 N VAL A 121 -2.227 -4.656 -7.974 1.00 0.00 N ATOM 701 CA VAL A 121 -1.618 -5.284 -6.810 1.00 0.00 C ATOM 702 C VAL A 121 -0.361 -6.059 -7.198 1.00 0.00 C ATOM 703 O VAL A 121 0.586 -6.150 -6.419 1.00 0.00 O ATOM 704 CB VAL A 121 -2.611 -6.226 -6.097 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.071 -7.329 -7.035 1.00 0.00 C ATOM 706 CG2 VAL A 121 -1.998 -6.809 -4.831 1.00 0.00 C ATOM 0 H VAL A 121 -3.110 -5.075 -8.266 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.341 -4.485 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.483 -5.641 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.770 -7.982 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.564 -6.888 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.209 -7.909 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.719 -7.469 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.103 -7.375 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.733 -6.001 -4.149 1.00 0.00 H new ATOM 716 N ASP A 122 -0.361 -6.618 -8.405 1.00 0.00 N ATOM 717 CA ASP A 122 0.779 -7.387 -8.892 1.00 0.00 C ATOM 718 C ASP A 122 1.996 -6.491 -9.124 1.00 0.00 C ATOM 719 O ASP A 122 3.137 -6.942 -9.022 1.00 0.00 O ATOM 720 CB ASP A 122 0.407 -8.118 -10.186 1.00 0.00 C ATOM 721 CG ASP A 122 0.093 -9.583 -9.951 1.00 0.00 C ATOM 722 OD1 ASP A 122 0.801 -10.218 -9.141 1.00 0.00 O1- ATOM 723 OD2 ASP A 122 -0.859 -10.095 -10.575 1.00 0.00 O ATOM 0 H ASP A 122 -1.138 -6.553 -9.063 1.00 0.00 H new ATOM 0 HA ASP A 122 1.042 -8.120 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.457 -7.632 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.229 -8.035 -10.897 1.00 0.00 H new ATOM 728 N GLU A 123 1.747 -5.225 -9.442 1.00 0.00 N ATOM 729 CA GLU A 123 2.826 -4.275 -9.695 1.00 0.00 C ATOM 730 C GLU A 123 3.463 -3.795 -8.393 1.00 0.00 C ATOM 731 O GLU A 123 4.686 -3.765 -8.262 1.00 0.00 O ATOM 732 CB GLU A 123 2.301 -3.077 -10.489 1.00 0.00 C ATOM 733 CG GLU A 123 3.310 -2.512 -11.475 1.00 0.00 C ATOM 734 CD GLU A 123 2.674 -2.108 -12.792 1.00 0.00 C ATOM 735 OE1 GLU A 123 2.237 -0.944 -12.908 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 2.614 -2.956 -13.707 1.00 0.00 O ATOM 0 H GLU A 123 0.810 -4.833 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 123 3.591 -4.788 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.404 -3.376 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.006 -2.291 -9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.800 -1.645 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.085 -3.255 -11.663 1.00 0.00 H new ATOM 743 N MET A 124 2.624 -3.412 -7.437 1.00 0.00 N ATOM 744 CA MET A 124 3.102 -2.923 -6.146 1.00 0.00 C ATOM 745 C MET A 124 3.913 -3.983 -5.406 1.00 0.00 C ATOM 746 O MET A 124 4.972 -3.693 -4.849 1.00 0.00 O ATOM 747 CB MET A 124 1.920 -2.484 -5.284 1.00 0.00 C ATOM 748 CG MET A 124 0.909 -3.590 -5.039 1.00 0.00 C ATOM 749 SD MET A 124 -0.502 -3.036 -4.067 1.00 0.00 S ATOM 750 CE MET A 124 -0.647 -4.377 -2.889 1.00 0.00 C ATOM 0 H MET A 124 1.608 -3.430 -7.530 1.00 0.00 H new ATOM 0 HA MET A 124 3.756 -2.072 -6.336 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.293 -2.124 -4.325 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.419 -1.645 -5.767 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.557 -3.974 -5.996 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.398 -4.417 -4.524 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.699 -4.548 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.216 -5.283 -3.314 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.114 -4.117 -1.974 1.00 0.00 H new ATOM 760 N ILE A 125 3.400 -5.209 -5.388 1.00 0.00 N ATOM 761 CA ILE A 125 4.066 -6.309 -4.699 1.00 0.00 C ATOM 762 C ILE A 125 5.392 -6.679 -5.361 1.00 0.00 C ATOM 763 O ILE A 125 6.373 -6.975 -4.680 1.00 0.00 O ATOM 764 CB ILE A 125 3.156 -7.556 -4.632 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.875 -8.097 -6.043 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.854 -7.224 -3.904 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.882 -9.242 -6.078 1.00 0.00 C ATOM 0 H ILE A 125 2.524 -5.466 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 125 4.274 -5.962 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 125 3.672 -8.335 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.499 -7.284 -6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.813 -8.430 -6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.223 -8.112 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.078 -6.893 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.331 -6.430 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.738 -9.567 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.264 -10.073 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.929 -8.910 -5.666 1.00 0.00 H new ATOM 779 N ARG A 126 5.412 -6.668 -6.689 1.00 0.00 N ATOM 780 CA ARG A 126 6.617 -7.014 -7.436 1.00 0.00 C ATOM 781 C ARG A 126 7.665 -5.909 -7.343 1.00 0.00 C ATOM 782 O ARG A 126 8.866 -6.174 -7.413 1.00 0.00 O ATOM 783 CB ARG A 126 6.271 -7.287 -8.902 1.00 0.00 C ATOM 784 CG ARG A 126 6.034 -8.758 -9.207 1.00 0.00 C ATOM 785 CD ARG A 126 6.659 -9.165 -10.532 1.00 0.00 C ATOM 786 NE ARG A 126 5.854 -8.733 -11.673 1.00 0.00 N ATOM 787 CZ ARG A 126 6.322 -8.609 -12.915 1.00 0.00 C ATOM 788 NH1 ARG A 126 7.594 -8.882 -13.190 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 5.515 -8.211 -13.889 1.00 0.00 N ATOM 0 H ARG A 126 4.610 -6.424 -7.270 1.00 0.00 H new ATOM 0 HA ARG A 126 7.038 -7.916 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.378 -6.721 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.081 -6.920 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.451 -9.368 -8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.962 -8.956 -9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.657 -8.735 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.776 -10.248 -10.560 1.00 0.00 H new ATOM 0 HE ARG A 126 4.872 -8.512 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.222 -9.190 -12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 126 7.942 -8.784 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 126 4.538 -8.000 -13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 126 5.872 -8.116 -14.840 1.00 0.00 H new ATOM 803 N GLU A 127 7.208 -4.672 -7.190 1.00 0.00 N ATOM 804 CA GLU A 127 8.113 -3.532 -7.096 1.00 0.00 C ATOM 805 C GLU A 127 8.473 -3.202 -5.643 1.00 0.00 C ATOM 806 O GLU A 127 9.293 -2.318 -5.395 1.00 0.00 O ATOM 807 CB GLU A 127 7.486 -2.306 -7.765 1.00 0.00 C ATOM 808 CG GLU A 127 8.487 -1.209 -8.094 1.00 0.00 C ATOM 809 CD GLU A 127 9.293 -1.510 -9.341 1.00 0.00 C ATOM 810 OE1 GLU A 127 8.836 -1.146 -10.445 1.00 0.00 O ATOM 811 OE2 GLU A 127 10.381 -2.110 -9.216 1.00 0.00 O1- ATOM 0 H GLU A 127 6.218 -4.433 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 127 9.033 -3.803 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.989 -2.619 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.717 -1.899 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.956 -0.266 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.165 -1.076 -7.251 1.00 0.00 H new ATOM 818 N ALA A 128 7.863 -3.897 -4.682 1.00 0.00 N ATOM 819 CA ALA A 128 8.145 -3.635 -3.277 1.00 0.00 C ATOM 820 C ALA A 128 9.459 -4.275 -2.836 1.00 0.00 C ATOM 821 O ALA A 128 10.328 -3.602 -2.285 1.00 0.00 O ATOM 822 CB ALA A 128 6.999 -4.132 -2.412 1.00 0.00 C ATOM 0 H ALA A 128 7.180 -4.635 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 128 8.246 -2.557 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.221 -3.931 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.081 -3.617 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.873 -5.205 -2.557 1.00 0.00 H new ATOM 828 N ASP A 129 9.609 -5.579 -3.088 1.00 0.00 N ATOM 829 CA ASP A 129 10.828 -6.303 -2.720 1.00 0.00 C ATOM 830 C ASP A 129 10.631 -7.804 -2.892 1.00 0.00 C ATOM 831 O ASP A 129 11.256 -8.432 -3.746 1.00 0.00 O ATOM 832 CB ASP A 129 11.242 -5.997 -1.270 1.00 0.00 C ATOM 833 CG ASP A 129 12.405 -5.027 -1.196 1.00 0.00 C ATOM 834 OD1 ASP A 129 13.491 -5.363 -1.712 1.00 0.00 O1- ATOM 835 OD2 ASP A 129 12.229 -3.932 -0.620 1.00 0.00 O ATOM 0 H ASP A 129 8.901 -6.154 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 129 11.624 -5.967 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.390 -5.581 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.514 -6.926 -0.768 1.00 0.00 H new ATOM 915 N ILE A 136 7.356 -8.785 2.387 1.00 0.00 N ATOM 916 CA ILE A 136 7.530 -7.466 1.790 1.00 0.00 C ATOM 917 C ILE A 136 7.488 -6.361 2.840 1.00 0.00 C ATOM 918 O ILE A 136 6.451 -6.112 3.452 1.00 0.00 O ATOM 919 CB ILE A 136 6.446 -7.190 0.732 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.336 -8.367 -0.238 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.751 -5.905 -0.019 1.00 0.00 C ATOM 922 CD1 ILE A 136 5.067 -8.352 -1.062 1.00 0.00 C ATOM 0 HA ILE A 136 8.512 -7.465 1.316 1.00 0.00 H new ATOM 0 HB ILE A 136 5.489 -7.071 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.195 -8.357 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.383 -9.298 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.975 -5.725 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.781 -5.072 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.717 -5.995 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.055 -9.215 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.202 -8.393 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.028 -7.437 -1.653 1.00 0.00 H new ATOM 934 N ASN A 137 8.619 -5.689 3.031 1.00 0.00 N ATOM 935 CA ASN A 137 8.702 -4.598 3.994 1.00 0.00 C ATOM 936 C ASN A 137 7.982 -3.364 3.461 1.00 0.00 C ATOM 937 O ASN A 137 8.226 -2.931 2.335 1.00 0.00 O ATOM 938 CB ASN A 137 10.162 -4.264 4.299 1.00 0.00 C ATOM 939 CG ASN A 137 10.303 -3.264 5.429 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.319 -2.887 6.067 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.530 -2.827 5.684 1.00 0.00 N ATOM 0 H ASN A 137 9.488 -5.881 2.533 1.00 0.00 H new ATOM 0 HA ASN A 137 8.217 -4.916 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.694 -5.179 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.635 -3.864 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.686 -2.153 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.317 -3.166 5.131 1.00 0.00 H new ATOM 948 N TYR A 138 7.090 -2.806 4.272 1.00 0.00 N ATOM 949 CA TYR A 138 6.330 -1.625 3.867 1.00 0.00 C ATOM 950 C TYR A 138 7.134 -0.331 4.030 1.00 0.00 C ATOM 951 O TYR A 138 6.620 0.751 3.758 1.00 0.00 O ATOM 952 CB TYR A 138 5.025 -1.527 4.659 1.00 0.00 C ATOM 953 CG TYR A 138 5.196 -1.742 6.142 1.00 0.00 C ATOM 954 CD1 TYR A 138 5.978 -0.884 6.901 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.579 -2.809 6.781 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.141 -1.082 8.257 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.735 -3.013 8.137 1.00 0.00 C ATOM 958 CZ TYR A 138 5.516 -2.146 8.872 1.00 0.00 C ATOM 959 OH TYR A 138 5.675 -2.347 10.223 1.00 0.00 O ATOM 0 H TYR A 138 6.875 -3.148 5.208 1.00 0.00 H new ATOM 0 HA TYR A 138 6.105 -1.743 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.582 -0.545 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.320 -2.264 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.467 -0.048 6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.967 -3.490 6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.755 -0.407 8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.248 -3.847 8.620 1.00 0.00 H new ATOM 0 HH TYR A 138 4.873 -2.777 10.586 1.00 0.00 H new ATOM 969 N GLU A 139 8.392 -0.436 4.464 1.00 0.00 N ATOM 970 CA GLU A 139 9.236 0.741 4.644 1.00 0.00 C ATOM 971 C GLU A 139 9.947 1.092 3.342 1.00 0.00 C ATOM 972 O GLU A 139 9.995 2.255 2.941 1.00 0.00 O ATOM 973 CB GLU A 139 10.261 0.497 5.753 1.00 0.00 C ATOM 974 CG GLU A 139 10.996 1.753 6.188 1.00 0.00 C ATOM 975 CD GLU A 139 10.065 2.807 6.754 1.00 0.00 C ATOM 976 OE1 GLU A 139 9.462 3.556 5.957 1.00 0.00 O ATOM 977 OE2 GLU A 139 9.938 2.883 7.994 1.00 0.00 O1- ATOM 0 H GLU A 139 8.844 -1.320 4.696 1.00 0.00 H new ATOM 0 HA GLU A 139 8.601 1.579 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 139 9.754 0.065 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.988 -0.239 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.742 1.491 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.534 2.168 5.336 1.00 0.00 H new ATOM 984 N GLU A 140 10.483 0.074 2.681 1.00 0.00 N ATOM 985 CA GLU A 140 11.175 0.265 1.414 1.00 0.00 C ATOM 986 C GLU A 140 10.157 0.478 0.303 1.00 0.00 C ATOM 987 O GLU A 140 10.378 1.260 -0.622 1.00 0.00 O ATOM 988 CB GLU A 140 12.057 -0.942 1.096 1.00 0.00 C ATOM 989 CG GLU A 140 13.295 -1.038 1.974 1.00 0.00 C ATOM 990 CD GLU A 140 14.550 -0.573 1.264 1.00 0.00 C ATOM 991 OE1 GLU A 140 14.919 -1.191 0.242 1.00 0.00 O ATOM 992 OE2 GLU A 140 15.166 0.410 1.728 1.00 0.00 O1- ATOM 0 H GLU A 140 10.451 -0.894 3.002 1.00 0.00 H new ATOM 0 HA GLU A 140 11.814 1.145 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.468 -1.852 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.365 -0.892 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.147 -0.438 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.427 -2.070 2.298 1.00 0.00 H new ATOM 999 N PHE A 141 9.030 -0.217 0.417 1.00 0.00 N ATOM 1000 CA PHE A 141 7.957 -0.103 -0.557 1.00 0.00 C ATOM 1001 C PHE A 141 7.390 1.315 -0.539 1.00 0.00 C ATOM 1002 O PHE A 141 7.252 1.951 -1.584 1.00 0.00 O ATOM 1003 CB PHE A 141 6.863 -1.135 -0.250 1.00 0.00 C ATOM 1004 CG PHE A 141 5.611 -0.979 -1.071 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.611 -1.246 -2.432 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.436 -0.561 -0.476 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.458 -1.097 -3.180 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.283 -0.411 -1.216 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.292 -0.679 -2.570 1.00 0.00 C ATOM 0 H PHE A 141 8.838 -0.867 1.179 1.00 0.00 H new ATOM 0 HA PHE A 141 8.348 -0.304 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.267 -2.134 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.601 -1.065 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.521 -1.574 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.421 -0.349 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.469 -1.307 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.372 -0.084 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.389 -0.562 -3.151 1.00 0.00 H new ATOM 1019 N VAL A 142 7.078 1.812 0.656 1.00 0.00 N ATOM 1020 CA VAL A 142 6.544 3.159 0.796 1.00 0.00 C ATOM 1021 C VAL A 142 7.610 4.192 0.447 1.00 0.00 C ATOM 1022 O VAL A 142 7.306 5.263 -0.079 1.00 0.00 O ATOM 1023 CB VAL A 142 6.020 3.429 2.227 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.147 3.371 3.248 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.307 4.773 2.289 1.00 0.00 C ATOM 0 H VAL A 142 7.186 1.304 1.534 1.00 0.00 H new ATOM 0 HA VAL A 142 5.705 3.244 0.105 1.00 0.00 H new ATOM 0 HB VAL A 142 5.305 2.645 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.747 3.565 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.606 2.383 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.897 4.124 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.945 4.946 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.001 5.566 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.464 4.770 1.598 1.00 0.00 H new ATOM 1035 N ARG A 143 8.864 3.860 0.746 1.00 0.00 N ATOM 1036 CA ARG A 143 9.976 4.755 0.465 1.00 0.00 C ATOM 1037 C ARG A 143 10.182 4.913 -1.037 1.00 0.00 C ATOM 1038 O ARG A 143 10.222 6.027 -1.550 1.00 0.00 O ATOM 1039 CB ARG A 143 11.258 4.231 1.116 1.00 0.00 C ATOM 1040 CG ARG A 143 12.439 5.183 0.989 1.00 0.00 C ATOM 1041 CD ARG A 143 13.423 4.718 -0.075 1.00 0.00 C ATOM 1042 NE ARG A 143 14.613 5.566 -0.127 1.00 0.00 N ATOM 1043 CZ ARG A 143 15.776 5.190 -0.663 1.00 0.00 C ATOM 1044 NH1 ARG A 143 15.917 3.982 -1.196 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 16.803 6.028 -0.664 1.00 0.00 N ATOM 0 H ARG A 143 9.132 2.978 1.182 1.00 0.00 H new ATOM 0 HA ARG A 143 9.737 5.732 0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.068 4.041 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 143 11.522 3.276 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 143 12.077 6.181 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.950 5.260 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.719 3.689 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 143 12.933 4.721 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 143 14.550 6.503 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.132 3.331 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 143 16.810 3.705 -1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 143 16.703 6.957 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 143 17.693 5.743 -1.073 1.00 0.00 H new ATOM 1059 N MET A 144 10.315 3.790 -1.736 1.00 0.00 N ATOM 1060 CA MET A 144 10.523 3.810 -3.180 1.00 0.00 C ATOM 1061 C MET A 144 9.264 4.263 -3.917 1.00 0.00 C ATOM 1062 O MET A 144 9.347 4.887 -4.974 1.00 0.00 O ATOM 1063 CB MET A 144 10.949 2.427 -3.674 1.00 0.00 C ATOM 1064 CG MET A 144 9.940 1.330 -3.362 1.00 0.00 C ATOM 1065 SD MET A 144 9.244 0.567 -4.842 1.00 0.00 S ATOM 1066 CE MET A 144 7.570 1.203 -4.795 1.00 0.00 C ATOM 0 H MET A 144 10.283 2.856 -1.327 1.00 0.00 H new ATOM 0 HA MET A 144 11.316 4.527 -3.392 1.00 0.00 H new ATOM 0 HB2 MET A 144 11.107 2.468 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.906 2.168 -3.222 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.422 0.562 -2.757 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.132 1.748 -2.762 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.883 0.446 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.305 1.453 -3.768 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.503 2.097 -5.415 1.00 0.00 H new ATOM 1076 N MET A 145 8.103 3.943 -3.358 1.00 0.00 N ATOM 1077 CA MET A 145 6.833 4.319 -3.971 1.00 0.00 C ATOM 1078 C MET A 145 6.682 5.835 -4.037 1.00 0.00 C ATOM 1079 O MET A 145 6.087 6.370 -4.973 1.00 0.00 O ATOM 1080 CB MET A 145 5.667 3.715 -3.190 1.00 0.00 C ATOM 1081 CG MET A 145 4.311 4.004 -3.808 1.00 0.00 C ATOM 1082 SD MET A 145 2.996 4.111 -2.580 1.00 0.00 S ATOM 1083 CE MET A 145 2.791 2.381 -2.171 1.00 0.00 C ATOM 0 H MET A 145 8.014 3.425 -2.484 1.00 0.00 H new ATOM 0 HA MET A 145 6.824 3.928 -4.988 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.805 2.636 -3.123 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.683 4.102 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.361 4.941 -4.363 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.069 3.221 -4.526 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.961 2.268 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.581 1.815 -3.079 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.705 2.005 -1.712 1.00 0.00 H new ATOM 1093 N VAL A 146 7.215 6.523 -3.033 1.00 0.00 N ATOM 1094 CA VAL A 146 7.133 7.978 -2.975 1.00 0.00 C ATOM 1095 C VAL A 146 8.455 8.633 -3.369 1.00 0.00 C ATOM 1096 O VAL A 146 8.478 9.778 -3.822 1.00 0.00 O ATOM 1097 CB VAL A 146 6.719 8.456 -1.571 1.00 0.00 C ATOM 1098 CG1 VAL A 146 7.760 8.061 -0.531 1.00 0.00 C ATOM 1099 CG2 VAL A 146 6.484 9.960 -1.559 1.00 0.00 C ATOM 0 H VAL A 146 7.708 6.097 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 146 6.370 8.280 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 146 5.782 7.964 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.443 8.411 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.864 6.976 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.718 8.513 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.193 10.275 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 146 7.401 10.474 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 146 5.690 10.210 -2.263 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.313 -4.057 9.516 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.415 -4.525 8.466 1.00 0.00 C ATOM 1233 C GLU B1905 -8.711 -3.848 7.130 1.00 0.00 C ATOM 1234 O GLU B1905 -7.855 -3.170 6.563 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.531 -6.043 8.311 1.00 0.00 C ATOM 1236 CG GLU B1905 -8.088 -6.816 9.544 1.00 0.00 C ATOM 1237 CD GLU B1905 -9.258 -7.315 10.369 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -10.200 -6.529 10.601 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -9.231 -8.493 10.784 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.399 -4.264 8.761 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.566 -6.299 8.084 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -7.930 -6.360 7.458 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -7.477 -7.664 9.237 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -7.458 -6.177 10.163 1.00 0.00 H new ATOM 1246 N GLU B1906 -9.926 -4.047 6.622 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.332 -3.470 5.342 1.00 0.00 C ATOM 1248 C GLU B1906 -10.113 -1.956 5.303 1.00 0.00 C ATOM 1249 O GLU B1906 -9.387 -1.457 4.446 1.00 0.00 O ATOM 1250 CB GLU B1906 -11.801 -3.806 5.051 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.343 -3.173 3.776 1.00 0.00 C ATOM 1252 CD GLU B1906 -13.379 -4.042 3.090 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -14.122 -4.753 3.798 1.00 0.00 O1- ATOM 1254 OE2 GLU B1906 -13.447 -4.010 1.843 1.00 0.00 O ATOM 0 H GLU B1906 -10.648 -4.605 7.079 1.00 0.00 H new ATOM 0 HA GLU B1906 -9.704 -3.910 4.568 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -11.908 -4.888 4.980 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.411 -3.480 5.893 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.785 -2.206 4.014 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -11.518 -2.986 3.088 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.750 -1.227 6.227 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.632 0.238 6.283 1.00 0.00 C ATOM 1263 C VAL B1907 -9.185 0.705 6.115 1.00 0.00 C ATOM 1264 O VAL B1907 -8.893 1.570 5.283 1.00 0.00 O ATOM 1265 CB VAL B1907 -11.190 0.802 7.604 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -12.709 0.716 7.620 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -10.595 0.071 8.796 1.00 0.00 C ATOM 0 H VAL B1907 -11.353 -1.626 6.947 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.223 0.619 5.450 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.906 1.852 7.676 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -13.086 1.119 8.560 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -13.115 1.293 6.789 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -13.016 -0.325 7.522 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -11.003 0.486 9.718 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -10.843 -0.989 8.734 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -9.512 0.191 8.793 1.00 0.00 H new ATOM 1277 N SER B1908 -8.276 0.114 6.889 1.00 0.00 N ATOM 1278 CA SER B1908 -6.862 0.462 6.799 1.00 0.00 C ATOM 1279 C SER B1908 -6.353 0.193 5.387 1.00 0.00 C ATOM 1280 O SER B1908 -5.513 0.925 4.861 1.00 0.00 O ATOM 1281 CB SER B1908 -6.049 -0.344 7.814 1.00 0.00 C ATOM 1282 OG SER B1908 -5.928 -1.697 7.413 1.00 0.00 O ATOM 0 H SER B1908 -8.493 -0.603 7.581 1.00 0.00 H new ATOM 0 HA SER B1908 -6.745 1.522 7.025 1.00 0.00 H new ATOM 0 HB2 SER B1908 -5.058 0.096 7.922 1.00 0.00 H new ATOM 0 HB3 SER B1908 -6.529 -0.293 8.791 1.00 0.00 H new ATOM 0 HG SER B1908 -6.815 -2.113 7.394 1.00 0.00 H new ATOM 1288 N ALA B1909 -6.890 -0.857 4.777 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.521 -1.227 3.421 1.00 0.00 C ATOM 1290 C ALA B1909 -7.101 -0.238 2.412 1.00 0.00 C ATOM 1291 O ALA B1909 -6.550 -0.049 1.330 1.00 0.00 O ATOM 1292 CB ALA B1909 -6.994 -2.641 3.115 1.00 0.00 C ATOM 0 H ALA B1909 -7.586 -1.468 5.205 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.435 -1.196 3.339 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -6.712 -2.907 2.096 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.531 -3.338 3.813 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.078 -2.692 3.216 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.214 0.403 2.773 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.842 1.377 1.888 1.00 0.00 C ATOM 1300 C ILE B1910 -7.900 2.550 1.645 1.00 0.00 C ATOM 1301 O ILE B1910 -7.634 2.917 0.500 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.177 1.906 2.462 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.104 0.741 2.814 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.851 2.844 1.465 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -12.460 1.172 3.332 1.00 0.00 C ATOM 0 H ILE B1910 -8.693 0.265 3.663 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.055 0.867 0.948 1.00 0.00 H new ATOM 0 HB ILE B1910 -9.966 2.466 3.373 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.244 0.121 1.929 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -10.620 0.118 3.566 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.789 3.207 1.884 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.194 3.689 1.259 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.052 2.306 0.538 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -13.060 0.291 3.559 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.332 1.767 4.236 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -12.966 1.769 2.574 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.391 3.132 2.727 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.473 4.257 2.611 1.00 0.00 C ATOM 1319 C VAL B1911 -5.203 3.841 1.875 1.00 0.00 C ATOM 1320 O VAL B1911 -4.640 4.618 1.103 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.107 4.849 3.991 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.400 3.821 4.860 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.252 6.099 3.825 1.00 0.00 C ATOM 0 H VAL B1911 -7.597 2.846 3.684 1.00 0.00 H new ATOM 0 HA VAL B1911 -6.986 5.030 2.039 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.032 5.129 4.495 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.155 4.266 5.824 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.054 2.962 5.013 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.484 3.496 4.367 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -5.003 6.503 4.806 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.335 5.844 3.294 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.805 6.845 3.255 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.760 2.607 2.105 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.564 2.107 1.445 1.00 0.00 C ATOM 1335 C ILE B1912 -3.805 2.011 -0.066 1.00 0.00 C ATOM 1336 O ILE B1912 -2.898 2.237 -0.869 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.092 0.750 2.067 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.572 0.739 2.202 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.555 -0.484 1.291 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.046 -0.430 3.005 1.00 0.00 C ATOM 0 H ILE B1912 -5.208 1.944 2.737 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.748 2.812 1.607 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.563 0.687 3.048 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.127 0.716 1.207 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.250 1.668 2.674 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.188 -1.383 1.785 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.644 -0.506 1.259 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.163 -0.443 0.275 1.00 0.00 H new ATOM 0 HD11 ILE B1912 0.041 -0.374 3.060 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.462 -0.397 4.012 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.337 -1.363 2.523 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.047 1.699 -0.438 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.421 1.603 -1.841 1.00 0.00 C ATOM 1354 C GLN B1913 -5.251 2.964 -2.507 1.00 0.00 C ATOM 1355 O GLN B1913 -4.834 3.062 -3.661 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.866 1.109 -1.982 1.00 0.00 C ATOM 1357 CG GLN B1913 -6.976 -0.261 -2.631 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.400 -0.780 -2.665 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.338 -0.035 -2.951 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.568 -2.064 -2.374 1.00 0.00 N ATOM 0 H GLN B1913 -5.807 1.509 0.215 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.770 0.881 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.328 1.073 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.432 1.829 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.588 -0.209 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.349 -0.968 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.762 -2.644 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.503 -2.471 -2.382 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.556 4.013 -1.749 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.420 5.376 -2.239 1.00 0.00 C ATOM 1371 C ARG B1914 -3.957 5.673 -2.538 1.00 0.00 C ATOM 1372 O ARG B1914 -3.636 6.389 -3.487 1.00 0.00 O ATOM 1373 CB ARG B1914 -5.959 6.366 -1.204 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.464 7.668 -1.806 1.00 0.00 C ATOM 1375 CD ARG B1914 -5.365 8.719 -1.878 1.00 0.00 C ATOM 1376 NE ARG B1914 -5.814 10.017 -1.377 1.00 0.00 N ATOM 1377 CZ ARG B1914 -5.962 10.310 -0.085 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -5.695 9.403 0.849 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -6.378 11.516 0.274 1.00 0.00 N ATOM 0 H ARG B1914 -5.900 3.942 -0.791 1.00 0.00 H new ATOM 0 HA ARG B1914 -5.999 5.483 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.771 5.893 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.171 6.590 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -6.853 7.479 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.292 8.048 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -4.505 8.384 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -5.032 8.825 -2.910 1.00 0.00 H new ATOM 0 HE ARG B1914 -6.028 10.745 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -5.374 8.473 0.580 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -5.811 9.637 1.835 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -6.584 12.217 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -6.492 11.743 1.262 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.071 5.106 -1.721 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.636 5.295 -1.897 1.00 0.00 C ATOM 1395 C ALA B1915 -1.189 4.788 -3.262 1.00 0.00 C ATOM 1396 O ALA B1915 -0.428 5.453 -3.965 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.869 4.584 -0.791 1.00 0.00 C ATOM 0 H ALA B1915 -3.324 4.512 -0.931 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.421 6.362 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.201 4.734 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.165 4.990 0.176 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.093 3.518 -0.820 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.675 3.606 -3.636 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.332 3.011 -4.924 1.00 0.00 C ATOM 1405 C TYR B1916 -1.764 3.923 -6.065 1.00 0.00 C ATOM 1406 O TYR B1916 -1.066 4.051 -7.072 1.00 0.00 O ATOM 1407 CB TYR B1916 -1.993 1.639 -5.072 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.721 0.713 -3.911 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.451 0.614 -3.364 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.734 -0.060 -3.361 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.197 -0.227 -2.300 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.490 -0.904 -2.295 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.218 -0.984 -1.768 1.00 0.00 C ATOM 1414 OH TYR B1916 -0.969 -1.823 -0.708 1.00 0.00 O ATOM 0 H TYR B1916 -2.306 3.043 -3.066 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.250 2.886 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.070 1.772 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.639 1.171 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.353 1.205 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.730 -0.001 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.798 -0.292 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.290 -1.497 -1.877 1.00 0.00 H new ATOM 0 HH TYR B1916 -1.765 -2.364 -0.525 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.920 4.562 -5.899 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.444 5.471 -6.910 1.00 0.00 C ATOM 1426 C ARG B1917 -2.462 6.611 -7.167 1.00 0.00 C ATOM 1427 O ARG B1917 -2.177 6.953 -8.313 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.801 6.029 -6.473 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.984 5.296 -7.085 1.00 0.00 C ATOM 1430 CD ARG B1917 -7.163 5.245 -6.127 1.00 0.00 C ATOM 1431 NE ARG B1917 -8.326 4.594 -6.728 1.00 0.00 N ATOM 1432 CZ ARG B1917 -9.119 5.166 -7.634 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -8.885 6.406 -8.052 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -10.151 4.496 -8.127 1.00 0.00 N ATOM 0 H ARG B1917 -3.510 4.466 -5.073 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.577 4.914 -7.837 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.874 5.976 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.856 7.083 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -6.284 5.794 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.687 4.282 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -6.873 4.709 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -7.430 6.258 -5.825 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.544 3.642 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.093 6.929 -7.679 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -9.498 6.835 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -10.338 3.544 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -10.758 4.933 -8.820 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.942 7.187 -6.087 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.982 8.279 -6.190 1.00 0.00 C ATOM 1450 C ARG B1918 0.362 7.764 -6.700 1.00 0.00 C ATOM 1451 O ARG B1918 1.090 8.474 -7.393 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.810 8.964 -4.830 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.904 10.481 -4.898 1.00 0.00 C ATOM 1454 CD ARG B1918 -2.268 10.980 -4.447 1.00 0.00 C ATOM 1455 NE ARG B1918 -2.435 12.411 -4.693 1.00 0.00 N ATOM 1456 CZ ARG B1918 -3.589 13.065 -4.556 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -4.689 12.424 -4.176 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -3.643 14.367 -4.799 1.00 0.00 N ATOM 0 H ARG B1918 -2.170 6.915 -5.131 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.363 9.010 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.572 8.591 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.158 8.686 -4.412 1.00 0.00 H new ATOM 0 HG2 ARG B1918 -0.129 10.922 -4.271 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -0.715 10.812 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -3.048 10.428 -4.972 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -2.395 10.777 -3.384 1.00 0.00 H new ATOM 0 HE ARG B1918 -1.617 12.943 -4.988 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -4.656 11.422 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -5.567 12.934 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -2.803 14.867 -5.090 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -4.525 14.869 -4.695 1.00 0.00 H new ATOM 1472 N TYR B1919 0.677 6.518 -6.354 1.00 0.00 N ATOM 1473 CA TYR B1919 1.927 5.892 -6.776 1.00 0.00 C ATOM 1474 C TYR B1919 2.027 5.869 -8.301 1.00 0.00 C ATOM 1475 O TYR B1919 3.028 6.298 -8.876 1.00 0.00 O ATOM 1476 CB TYR B1919 2.009 4.466 -6.209 1.00 0.00 C ATOM 1477 CG TYR B1919 3.145 3.629 -6.767 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.444 4.120 -6.810 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.912 2.349 -7.253 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.479 3.358 -7.321 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.939 1.581 -7.764 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.220 2.091 -7.797 1.00 0.00 C ATOM 1483 OH TYR B1919 6.247 1.328 -8.306 1.00 0.00 O ATOM 0 H TYR B1919 0.081 5.921 -5.781 1.00 0.00 H new ATOM 0 HA TYR B1919 2.763 6.475 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.117 4.525 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.067 3.955 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.649 5.113 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.910 1.947 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.484 3.753 -7.347 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.741 0.587 -8.136 1.00 0.00 H new ATOM 0 HH TYR B1919 5.947 0.400 -8.404 1.00 0.00 H new ATOM 1493 N LEU B1920 0.984 5.361 -8.946 1.00 0.00 N ATOM 1494 CA LEU B1920 0.950 5.276 -10.401 1.00 0.00 C ATOM 1495 C LEU B1920 0.526 6.607 -11.015 1.00 0.00 C ATOM 1496 O LEU B1920 1.045 7.014 -12.055 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.009 4.168 -10.841 1.00 0.00 C ATOM 1498 CG LEU B1920 0.542 2.746 -10.714 1.00 0.00 C ATOM 1499 CD1 LEU B1920 -0.574 1.769 -10.378 1.00 0.00 C ATOM 1500 CD2 LEU B1920 1.245 2.331 -11.999 1.00 0.00 C ATOM 0 H LEU B1920 0.149 5.001 -8.484 1.00 0.00 H new ATOM 0 HA LEU B1920 1.955 5.041 -10.752 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.921 4.242 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.288 4.342 -11.880 1.00 0.00 H new ATOM 0 HG LEU B1920 1.269 2.730 -9.902 1.00 0.00 H new ATOM 0 HD11 LEU B1920 -0.163 0.763 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU B1920 -1.035 2.055 -9.433 1.00 0.00 H new ATOM 0 HD13 LEU B1920 -1.324 1.788 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU B1920 1.631 1.317 -11.892 1.00 0.00 H new ATOM 0 HD22 LEU B1920 0.538 2.364 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU B1920 2.070 3.014 -12.199 1.00 0.00 H new