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 -165:sc= -1.63 (180deg=-2.03) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 124 MET CE :methyl -160:sc= -4.36! (180deg=-5.88!) USER MOD Set 2.2: B1916 TYR OH : rot 178:sc= 0.222 USER MOD Single : A 81 SER OG : rot -30:sc= 0.348 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 107 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.045) USER MOD Single : A 109 MET CE :methyl 149:sc= -0.474 (180deg=-2.08!) USER MOD Single : A 110 THR OG1 : rot -61:sc= 1.15 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.284 F(o=-1,f=-0.28) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN :FLIP amide:sc= -1.25 F(o=-3.2!,f=-1.2) USER MOD Single : A 138 TYR OH : rot 150:sc= -1.06 USER MOD Single : A 145 MET CE :methyl 155:sc= -1.98! (180deg=-2.94) USER MOD Single : B1908 SER OG : rot 97:sc= -4.13! USER MOD Single : B1913 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.616 9.914 1.949 1.00 0.00 N ATOM 87 CA SER A 81 0.733 8.494 1.634 1.00 0.00 C ATOM 88 C SER A 81 1.728 7.799 2.560 1.00 0.00 C ATOM 89 O SER A 81 1.512 6.659 2.970 1.00 0.00 O ATOM 90 CB SER A 81 1.163 8.309 0.179 1.00 0.00 C ATOM 91 OG SER A 81 2.147 9.261 -0.188 1.00 0.00 O ATOM 0 HA SER A 81 -0.246 8.038 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.556 7.302 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.296 8.407 -0.475 1.00 0.00 H new ATOM 0 HG SER A 81 2.011 10.086 0.324 1.00 0.00 H new ATOM 97 N GLU A 82 2.820 8.486 2.876 1.00 0.00 N ATOM 98 CA GLU A 82 3.851 7.924 3.744 1.00 0.00 C ATOM 99 C GLU A 82 3.280 7.498 5.096 1.00 0.00 C ATOM 100 O GLU A 82 3.408 6.340 5.494 1.00 0.00 O ATOM 101 CB GLU A 82 4.983 8.935 3.946 1.00 0.00 C ATOM 102 CG GLU A 82 6.370 8.322 3.839 1.00 0.00 C ATOM 103 CD GLU A 82 7.464 9.269 4.290 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.281 10.496 4.156 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.507 8.782 4.778 1.00 0.00 O ATOM 0 H GLU A 82 3.015 9.431 2.546 1.00 0.00 H new ATOM 0 HA GLU A 82 4.246 7.034 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.887 9.729 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.874 9.399 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.409 7.415 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.554 8.027 2.806 1.00 0.00 H new ATOM 112 N GLU A 83 2.660 8.437 5.805 1.00 0.00 N ATOM 113 CA GLU A 83 2.085 8.146 7.116 1.00 0.00 C ATOM 114 C GLU A 83 0.872 7.227 7.007 1.00 0.00 C ATOM 115 O GLU A 83 0.691 6.324 7.825 1.00 0.00 O ATOM 116 CB GLU A 83 1.684 9.442 7.823 1.00 0.00 C ATOM 117 CG GLU A 83 1.159 9.227 9.233 1.00 0.00 C ATOM 118 CD GLU A 83 1.486 10.381 10.160 1.00 0.00 C ATOM 119 OE1 GLU A 83 2.590 10.378 10.745 1.00 0.00 O ATOM 120 OE2 GLU A 83 0.639 11.287 10.299 1.00 0.00 O1- ATOM 0 H GLU A 83 2.543 9.402 5.496 1.00 0.00 H new ATOM 0 HA GLU A 83 2.850 7.634 7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.547 10.107 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.920 9.947 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.078 9.090 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.584 8.309 9.639 1.00 0.00 H new ATOM 127 N GLU A 84 0.039 7.466 6.002 1.00 0.00 N ATOM 128 CA GLU A 84 -1.160 6.661 5.797 1.00 0.00 C ATOM 129 C GLU A 84 -0.806 5.222 5.436 1.00 0.00 C ATOM 130 O GLU A 84 -1.333 4.276 6.022 1.00 0.00 O ATOM 131 CB GLU A 84 -2.027 7.276 4.698 1.00 0.00 C ATOM 132 CG GLU A 84 -2.677 8.591 5.097 1.00 0.00 C ATOM 133 CD GLU A 84 -3.862 8.397 6.024 1.00 0.00 C ATOM 134 OE1 GLU A 84 -3.755 7.577 6.960 1.00 0.00 O ATOM 135 OE2 GLU A 84 -4.895 9.065 5.813 1.00 0.00 O1- ATOM 0 H GLU A 84 0.171 8.210 5.316 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.719 6.649 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.414 7.438 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.806 6.565 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.937 9.224 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.004 9.117 4.200 1.00 0.00 H new ATOM 142 N LEU A 85 0.084 5.065 4.463 1.00 0.00 N ATOM 143 CA LEU A 85 0.508 3.750 4.011 1.00 0.00 C ATOM 144 C LEU A 85 1.106 2.931 5.153 1.00 0.00 C ATOM 145 O LEU A 85 0.703 1.792 5.385 1.00 0.00 O ATOM 146 CB LEU A 85 1.517 3.919 2.873 1.00 0.00 C ATOM 147 CG LEU A 85 2.161 2.643 2.328 1.00 0.00 C ATOM 148 CD1 LEU A 85 3.259 2.135 3.253 1.00 0.00 C ATOM 149 CD2 LEU A 85 1.118 1.565 2.085 1.00 0.00 C ATOM 0 H LEU A 85 0.528 5.840 3.970 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.362 3.201 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.017 4.426 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.312 4.580 3.219 1.00 0.00 H new ATOM 0 HG LEU A 85 2.621 2.892 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.695 1.227 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.032 2.897 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.836 1.917 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.604 0.669 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.614 1.328 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.387 1.923 1.360 1.00 0.00 H new ATOM 161 N ILE A 86 2.073 3.511 5.863 1.00 0.00 N ATOM 162 CA ILE A 86 2.725 2.820 6.976 1.00 0.00 C ATOM 163 C ILE A 86 1.701 2.361 8.015 1.00 0.00 C ATOM 164 O ILE A 86 1.844 1.292 8.610 1.00 0.00 O ATOM 165 CB ILE A 86 3.787 3.719 7.655 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.827 4.177 6.630 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.472 2.985 8.805 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.519 5.469 7.009 1.00 0.00 C ATOM 0 H ILE A 86 2.421 4.454 5.689 1.00 0.00 H new ATOM 0 HA ILE A 86 3.224 1.945 6.560 1.00 0.00 H new ATOM 0 HB ILE A 86 3.279 4.593 8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.576 3.394 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.341 4.304 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.213 3.639 9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.728 2.700 9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.964 2.090 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.243 5.734 6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.779 6.264 7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.034 5.340 7.961 1.00 0.00 H new ATOM 180 N GLU A 87 0.671 3.172 8.227 1.00 0.00 N ATOM 181 CA GLU A 87 -0.371 2.841 9.192 1.00 0.00 C ATOM 182 C GLU A 87 -1.255 1.715 8.666 1.00 0.00 C ATOM 183 O GLU A 87 -1.578 0.772 9.392 1.00 0.00 O ATOM 184 CB GLU A 87 -1.222 4.075 9.497 1.00 0.00 C ATOM 185 CG GLU A 87 -1.741 4.116 10.924 1.00 0.00 C ATOM 186 CD GLU A 87 -0.770 4.786 11.877 1.00 0.00 C ATOM 187 OE1 GLU A 87 0.432 4.455 11.830 1.00 0.00 O1- ATOM 188 OE2 GLU A 87 -1.214 5.643 12.670 1.00 0.00 O ATOM 0 H GLU A 87 0.535 4.061 7.745 1.00 0.00 H new ATOM 0 HA GLU A 87 0.109 2.505 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.630 4.970 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.068 4.102 8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.692 4.648 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.937 3.099 11.265 1.00 0.00 H new ATOM 195 N ALA A 88 -1.642 1.819 7.400 1.00 0.00 N ATOM 196 CA ALA A 88 -2.487 0.812 6.773 1.00 0.00 C ATOM 197 C ALA A 88 -1.809 -0.550 6.768 1.00 0.00 C ATOM 198 O ALA A 88 -2.433 -1.566 7.077 1.00 0.00 O ATOM 199 CB ALA A 88 -2.840 1.230 5.356 1.00 0.00 C ATOM 0 H ALA A 88 -1.383 2.592 6.787 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.404 0.730 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.472 0.469 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.375 2.179 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.927 1.342 4.772 1.00 0.00 H new ATOM 205 N PHE A 89 -0.526 -0.570 6.418 1.00 0.00 N ATOM 206 CA PHE A 89 0.228 -1.815 6.377 1.00 0.00 C ATOM 207 C PHE A 89 0.487 -2.333 7.783 1.00 0.00 C ATOM 208 O PHE A 89 0.480 -3.539 8.027 1.00 0.00 O ATOM 209 CB PHE A 89 1.549 -1.632 5.621 1.00 0.00 C ATOM 210 CG PHE A 89 1.477 -2.004 4.161 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.767 -3.122 3.741 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.124 -1.232 3.207 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.705 -3.459 2.403 1.00 0.00 C ATOM 214 CE2 PHE A 89 2.065 -1.567 1.867 1.00 0.00 C ATOM 215 CZ PHE A 89 1.355 -2.682 1.465 1.00 0.00 C ATOM 0 H PHE A 89 0.010 0.259 6.160 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.370 -2.553 5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.863 -0.592 5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.318 -2.237 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.257 -3.735 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.680 -0.359 3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.148 -4.330 2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.574 -0.957 1.135 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.309 -2.945 0.419 1.00 0.00 H new ATOM 225 N LYS A 90 0.707 -1.407 8.707 1.00 0.00 N ATOM 226 CA LYS A 90 0.961 -1.753 10.105 1.00 0.00 C ATOM 227 C LYS A 90 -0.152 -2.649 10.648 1.00 0.00 C ATOM 228 O LYS A 90 0.095 -3.558 11.441 1.00 0.00 O ATOM 229 CB LYS A 90 1.074 -0.482 10.954 1.00 0.00 C ATOM 230 CG LYS A 90 2.509 -0.023 11.174 1.00 0.00 C ATOM 231 CD LYS A 90 2.838 0.122 12.654 1.00 0.00 C ATOM 232 CE LYS A 90 4.334 0.259 12.881 1.00 0.00 C ATOM 233 NZ LYS A 90 4.646 1.229 13.967 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.715 -0.405 8.515 1.00 0.00 H new ATOM 0 HA LYS A 90 1.903 -2.299 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.515 0.319 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.605 -0.659 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.193 -0.739 10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.666 0.932 10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.326 0.996 13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.464 -0.746 13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.753 -0.715 13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.813 0.583 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.677 1.293 14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.269 2.165 13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.211 0.908 14.855 1.00 0.00 H new ATOM 247 N VAL A 91 -1.374 -2.386 10.199 1.00 0.00 N ATOM 248 CA VAL A 91 -2.531 -3.166 10.620 1.00 0.00 C ATOM 249 C VAL A 91 -2.443 -4.603 10.107 1.00 0.00 C ATOM 250 O VAL A 91 -3.013 -5.518 10.701 1.00 0.00 O ATOM 251 CB VAL A 91 -3.843 -2.535 10.113 1.00 0.00 C ATOM 252 CG1 VAL A 91 -5.048 -3.253 10.701 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.882 -1.049 10.440 1.00 0.00 C ATOM 0 H VAL A 91 -1.589 -1.636 9.542 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.531 -3.171 11.710 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.882 -2.646 9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.963 -2.792 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.026 -4.302 10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.020 -3.180 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.815 -0.620 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.818 -0.912 11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.041 -0.549 9.960 1.00 0.00 H new ATOM 263 N PHE A 92 -1.733 -4.794 8.997 1.00 0.00 N ATOM 264 CA PHE A 92 -1.579 -6.119 8.405 1.00 0.00 C ATOM 265 C PHE A 92 -0.166 -6.653 8.618 1.00 0.00 C ATOM 266 O PHE A 92 0.342 -7.432 7.810 1.00 0.00 O ATOM 267 CB PHE A 92 -1.901 -6.076 6.906 1.00 0.00 C ATOM 268 CG PHE A 92 -3.092 -5.223 6.568 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.347 -5.534 7.067 1.00 0.00 C ATOM 270 CD2 PHE A 92 -2.955 -4.110 5.754 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.443 -4.749 6.761 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.047 -3.322 5.445 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.293 -3.642 5.950 1.00 0.00 C ATOM 0 H PHE A 92 -1.256 -4.048 8.491 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.280 -6.791 8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.031 -5.700 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.080 -7.091 6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.470 -6.399 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.984 -3.856 5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.416 -5.002 7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.927 -2.457 4.810 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.148 -3.027 5.711 1.00 0.00 H new ATOM 352 N GLY A 98 7.717 -5.638 10.277 1.00 0.00 N ATOM 353 CA GLY A 98 7.159 -4.708 9.312 1.00 0.00 C ATOM 354 C GLY A 98 7.183 -5.251 7.898 1.00 0.00 C ATOM 355 O GLY A 98 7.534 -4.537 6.958 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.131 -4.475 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.719 -3.773 9.348 1.00 0.00 H new ATOM 359 N LEU A 99 6.805 -6.516 7.743 1.00 0.00 N ATOM 360 CA LEU A 99 6.782 -7.155 6.432 1.00 0.00 C ATOM 361 C LEU A 99 5.402 -7.736 6.141 1.00 0.00 C ATOM 362 O LEU A 99 4.673 -8.112 7.058 1.00 0.00 O ATOM 363 CB LEU A 99 7.841 -8.257 6.357 1.00 0.00 C ATOM 364 CG LEU A 99 9.289 -7.765 6.317 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.653 -7.072 7.622 1.00 0.00 C ATOM 366 CD2 LEU A 99 10.236 -8.923 6.041 1.00 0.00 C ATOM 0 H LEU A 99 6.510 -7.120 8.510 1.00 0.00 H new ATOM 0 HA LEU A 99 7.007 -6.399 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.721 -8.914 7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.654 -8.859 5.468 1.00 0.00 H new ATOM 0 HG LEU A 99 9.387 -7.042 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.686 -6.729 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.993 -6.218 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.540 -7.772 8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.262 -8.556 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.137 -9.670 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.988 -9.374 5.080 1.00 0.00 H new ATOM 378 N ILE A 100 5.047 -7.804 4.862 1.00 0.00 N ATOM 379 CA ILE A 100 3.752 -8.337 4.460 1.00 0.00 C ATOM 380 C ILE A 100 3.889 -9.294 3.278 1.00 0.00 C ATOM 381 O ILE A 100 4.668 -9.050 2.356 1.00 0.00 O ATOM 382 CB ILE A 100 2.768 -7.203 4.100 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.370 -7.771 3.849 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.257 -6.419 2.888 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.281 -6.720 3.853 1.00 0.00 C ATOM 0 H ILE A 100 5.637 -7.497 4.088 1.00 0.00 H new ATOM 0 HA ILE A 100 3.354 -8.889 5.312 1.00 0.00 H new ATOM 0 HB ILE A 100 2.717 -6.515 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.363 -8.286 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.147 -8.517 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.545 -5.627 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.230 -5.980 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.345 -7.089 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.683 -7.194 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.261 -6.221 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.480 -5.987 3.071 1.00 0.00 H new ATOM 397 N SER A 101 3.128 -10.384 3.313 1.00 0.00 N ATOM 398 CA SER A 101 3.165 -11.378 2.246 1.00 0.00 C ATOM 399 C SER A 101 2.410 -10.887 1.016 1.00 0.00 C ATOM 400 O SER A 101 1.307 -10.352 1.125 1.00 0.00 O ATOM 401 CB SER A 101 2.569 -12.700 2.731 1.00 0.00 C ATOM 402 OG SER A 101 1.580 -12.482 3.723 1.00 0.00 O ATOM 0 H SER A 101 2.478 -10.601 4.069 1.00 0.00 H new ATOM 0 HA SER A 101 4.207 -11.537 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.131 -13.236 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.360 -13.332 3.135 1.00 0.00 H new ATOM 0 HG SER A 101 1.214 -13.343 4.015 1.00 0.00 H new ATOM 408 N ALA A 102 3.011 -11.074 -0.156 1.00 0.00 N ATOM 409 CA ALA A 102 2.397 -10.651 -1.408 1.00 0.00 C ATOM 410 C ALA A 102 1.204 -11.532 -1.763 1.00 0.00 C ATOM 411 O ALA A 102 0.184 -11.046 -2.252 1.00 0.00 O ATOM 412 CB ALA A 102 3.421 -10.677 -2.532 1.00 0.00 C ATOM 0 H ALA A 102 3.924 -11.516 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 102 2.037 -9.630 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.949 -10.359 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.242 -10.001 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.807 -11.690 -2.649 1.00 0.00 H new ATOM 418 N ALA A 103 1.341 -12.830 -1.518 1.00 0.00 N ATOM 419 CA ALA A 103 0.277 -13.784 -1.815 1.00 0.00 C ATOM 420 C ALA A 103 -1.011 -13.427 -1.081 1.00 0.00 C ATOM 421 O ALA A 103 -2.079 -13.339 -1.688 1.00 0.00 O ATOM 422 CB ALA A 103 0.719 -15.192 -1.450 1.00 0.00 C ATOM 0 H ALA A 103 2.179 -13.247 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 103 0.074 -13.740 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.083 -15.895 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.606 -15.456 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.951 -15.236 -0.386 1.00 0.00 H new ATOM 428 N GLU A 104 -0.906 -13.226 0.228 1.00 0.00 N ATOM 429 CA GLU A 104 -2.065 -12.882 1.043 1.00 0.00 C ATOM 430 C GLU A 104 -2.475 -11.427 0.831 1.00 0.00 C ATOM 431 O GLU A 104 -3.663 -11.105 0.803 1.00 0.00 O ATOM 432 CB GLU A 104 -1.764 -13.128 2.523 1.00 0.00 C ATOM 433 CG GLU A 104 -1.712 -14.603 2.896 1.00 0.00 C ATOM 434 CD GLU A 104 -2.727 -14.979 3.960 1.00 0.00 C ATOM 435 OE1 GLU A 104 -2.820 -14.255 4.974 1.00 0.00 O ATOM 436 OE2 GLU A 104 -3.430 -15.995 3.777 1.00 0.00 O1- ATOM 0 H GLU A 104 -0.031 -13.295 0.747 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.893 -13.520 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.810 -12.664 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.526 -12.635 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.888 -15.205 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.711 -14.847 3.253 1.00 0.00 H new ATOM 443 N LEU A 105 -1.485 -10.553 0.684 1.00 0.00 N ATOM 444 CA LEU A 105 -1.742 -9.132 0.477 1.00 0.00 C ATOM 445 C LEU A 105 -2.584 -8.901 -0.775 1.00 0.00 C ATOM 446 O LEU A 105 -3.363 -7.951 -0.845 1.00 0.00 O ATOM 447 CB LEU A 105 -0.420 -8.366 0.368 1.00 0.00 C ATOM 448 CG LEU A 105 -0.546 -6.876 0.038 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.510 -6.193 0.996 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.819 -6.207 0.081 1.00 0.00 C ATOM 0 H LEU A 105 -0.497 -10.804 0.704 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.301 -8.762 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.117 -8.467 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.192 -8.840 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.946 -6.779 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.585 -5.135 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.493 -6.656 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.143 -6.298 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.713 -5.148 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.246 -6.315 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.478 -6.678 -0.649 1.00 0.00 H new ATOM 462 N ARG A 106 -2.418 -9.772 -1.764 1.00 0.00 N ATOM 463 CA ARG A 106 -3.160 -9.658 -3.014 1.00 0.00 C ATOM 464 C ARG A 106 -4.649 -9.911 -2.798 1.00 0.00 C ATOM 465 O ARG A 106 -5.489 -9.118 -3.219 1.00 0.00 O ATOM 466 CB ARG A 106 -2.610 -10.642 -4.047 1.00 0.00 C ATOM 467 CG ARG A 106 -3.297 -10.550 -5.400 1.00 0.00 C ATOM 468 CD ARG A 106 -3.078 -11.809 -6.223 1.00 0.00 C ATOM 469 NE ARG A 106 -4.123 -11.993 -7.229 1.00 0.00 N ATOM 470 CZ ARG A 106 -4.216 -13.060 -8.024 1.00 0.00 C ATOM 471 NH1 ARG A 106 -3.329 -14.046 -7.940 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -5.202 -13.141 -8.906 1.00 0.00 N ATOM 0 H ARG A 106 -1.777 -10.564 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.037 -8.640 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.543 -10.461 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.716 -11.657 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.365 -10.389 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.915 -9.687 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.106 -11.757 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.054 -12.675 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.825 -11.260 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.568 -13.991 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.409 -14.858 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.887 -12.389 -8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.276 -13.956 -9.515 1.00 0.00 H new ATOM 486 N HIS A 107 -4.966 -11.025 -2.147 1.00 0.00 N ATOM 487 CA HIS A 107 -6.354 -11.392 -1.881 1.00 0.00 C ATOM 488 C HIS A 107 -7.035 -10.375 -0.967 1.00 0.00 C ATOM 489 O HIS A 107 -8.201 -10.033 -1.163 1.00 0.00 O ATOM 490 CB HIS A 107 -6.414 -12.785 -1.247 1.00 0.00 C ATOM 491 CG HIS A 107 -7.807 -13.265 -0.978 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.428 -14.235 -1.735 1.00 0.00 N ATOM 493 CD2 HIS A 107 -8.699 -12.904 -0.024 1.00 0.00 C ATOM 494 CE1 HIS A 107 -9.642 -14.450 -1.260 1.00 0.00 C ATOM 495 NE2 HIS A 107 -9.831 -13.656 -0.222 1.00 0.00 N ATOM 0 H HIS A 107 -4.280 -11.691 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.887 -11.401 -2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.915 -13.496 -1.906 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.856 -12.773 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.548 -12.164 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.358 -15.156 -1.654 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.680 -13.609 0.341 1.00 0.00 H new ATOM 504 N VAL A 108 -6.303 -9.904 0.034 1.00 0.00 N ATOM 505 CA VAL A 108 -6.837 -8.935 0.986 1.00 0.00 C ATOM 506 C VAL A 108 -7.284 -7.650 0.293 1.00 0.00 C ATOM 507 O VAL A 108 -8.461 -7.293 0.327 1.00 0.00 O ATOM 508 CB VAL A 108 -5.795 -8.590 2.073 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.398 -7.679 3.135 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.241 -9.859 2.706 1.00 0.00 C ATOM 0 H VAL A 108 -5.336 -10.177 0.209 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.705 -9.401 1.453 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.973 -8.056 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.645 -7.451 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.738 -6.754 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.243 -8.180 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.509 -9.595 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.054 -10.423 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.763 -10.469 1.940 1.00 0.00 H new ATOM 520 N MET A 109 -6.335 -6.953 -0.321 1.00 0.00 N ATOM 521 CA MET A 109 -6.624 -5.696 -1.002 1.00 0.00 C ATOM 522 C MET A 109 -7.642 -5.877 -2.130 1.00 0.00 C ATOM 523 O MET A 109 -8.572 -5.081 -2.265 1.00 0.00 O ATOM 524 CB MET A 109 -5.327 -5.085 -1.544 1.00 0.00 C ATOM 525 CG MET A 109 -4.963 -3.761 -0.886 1.00 0.00 C ATOM 526 SD MET A 109 -3.608 -3.913 0.296 1.00 0.00 S ATOM 527 CE MET A 109 -4.507 -4.286 1.800 1.00 0.00 C ATOM 0 H MET A 109 -5.356 -7.238 -0.361 1.00 0.00 H new ATOM 0 HA MET A 109 -7.067 -5.017 -0.273 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.511 -5.792 -1.396 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.427 -4.933 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.687 -3.042 -1.657 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.840 -3.361 -0.376 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.895 -4.919 2.442 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.743 -3.359 2.322 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.431 -4.808 1.552 1.00 0.00 H new ATOM 537 N THR A 110 -7.464 -6.915 -2.941 1.00 0.00 N ATOM 538 CA THR A 110 -8.375 -7.172 -4.055 1.00 0.00 C ATOM 539 C THR A 110 -9.773 -7.514 -3.556 1.00 0.00 C ATOM 540 O THR A 110 -10.770 -7.106 -4.150 1.00 0.00 O ATOM 541 CB THR A 110 -7.840 -8.302 -4.934 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.733 -9.507 -4.198 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.482 -7.998 -5.527 1.00 0.00 C ATOM 0 H THR A 110 -6.703 -7.589 -2.850 1.00 0.00 H new ATOM 0 HA THR A 110 -8.439 -6.261 -4.650 1.00 0.00 H new ATOM 0 HB THR A 110 -8.560 -8.405 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.104 -9.383 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.157 -8.838 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.547 -7.102 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.763 -7.835 -4.724 1.00 0.00 H new ATOM 551 N ASN A 111 -9.840 -8.260 -2.463 1.00 0.00 N ATOM 552 CA ASN A 111 -11.120 -8.650 -1.887 1.00 0.00 C ATOM 553 C ASN A 111 -11.800 -7.472 -1.183 1.00 0.00 C ATOM 554 O ASN A 111 -12.984 -7.545 -0.855 1.00 0.00 O ATOM 555 CB ASN A 111 -10.924 -9.802 -0.899 1.00 0.00 C ATOM 556 CG ASN A 111 -12.234 -10.300 -0.319 1.00 0.00 C ATOM 557 OD1 ASN A 111 -12.693 -9.653 0.746 1.00 0.00 O flip ATOM 558 ND2 ASN A 111 -12.826 -11.255 -0.821 1.00 0.00 N flip ATOM 0 H ASN A 111 -9.025 -8.607 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.766 -8.976 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.417 -10.625 -1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.273 -9.474 -0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.437 -11.723 -1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.706 -11.578 -0.419 1.00 0.00 H new ATOM 565 N LEU A 112 -11.052 -6.394 -0.937 1.00 0.00 N ATOM 566 CA LEU A 112 -11.605 -5.228 -0.255 1.00 0.00 C ATOM 567 C LEU A 112 -11.552 -3.971 -1.125 1.00 0.00 C ATOM 568 O LEU A 112 -11.155 -4.014 -2.302 1.00 0.00 O ATOM 569 CB LEU A 112 -10.849 -4.986 1.048 1.00 0.00 C ATOM 570 CG LEU A 112 -9.372 -4.647 0.875 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.193 -3.153 0.657 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.579 -5.120 2.082 1.00 0.00 C ATOM 0 H LEU A 112 -10.070 -6.307 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.654 -5.437 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.334 -4.172 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.933 -5.876 1.671 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.993 -5.165 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.134 -2.927 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.734 -2.849 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.583 -2.610 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.526 -4.872 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.954 -4.628 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.687 -6.200 2.188 1.00 0.00 H new ATOM 584 N GLY A 113 -11.965 -2.851 -0.526 1.00 0.00 N ATOM 585 CA GLY A 113 -11.982 -1.584 -1.228 1.00 0.00 C ATOM 586 C GLY A 113 -12.966 -1.602 -2.372 1.00 0.00 C ATOM 587 O GLY A 113 -14.087 -2.089 -2.226 1.00 0.00 O ATOM 0 H GLY A 113 -12.289 -2.805 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.243 -0.785 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.984 -1.363 -1.608 1.00 0.00 H new ATOM 591 N GLU A 114 -12.544 -1.101 -3.522 1.00 0.00 N ATOM 592 CA GLU A 114 -13.394 -1.100 -4.701 1.00 0.00 C ATOM 593 C GLU A 114 -13.021 -2.281 -5.586 1.00 0.00 C ATOM 594 O GLU A 114 -12.906 -2.153 -6.806 1.00 0.00 O ATOM 595 CB GLU A 114 -13.244 0.215 -5.471 1.00 0.00 C ATOM 596 CG GLU A 114 -11.798 0.630 -5.687 1.00 0.00 C ATOM 597 CD GLU A 114 -11.550 1.175 -7.079 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.162 2.205 -7.432 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.742 0.573 -7.818 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.621 -0.691 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.436 -1.192 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.734 0.117 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.763 1.005 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.527 1.387 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.148 -0.228 -5.516 1.00 0.00 H new ATOM 606 N LYS A 115 -12.809 -3.434 -4.949 1.00 0.00 N ATOM 607 CA LYS A 115 -12.418 -4.641 -5.658 1.00 0.00 C ATOM 608 C LYS A 115 -11.081 -4.419 -6.354 1.00 0.00 C ATOM 609 O LYS A 115 -10.987 -4.484 -7.581 1.00 0.00 O ATOM 610 CB LYS A 115 -13.493 -5.044 -6.671 1.00 0.00 C ATOM 611 CG LYS A 115 -14.752 -5.614 -6.033 1.00 0.00 C ATOM 612 CD LYS A 115 -14.464 -6.897 -5.266 1.00 0.00 C ATOM 613 CE LYS A 115 -13.856 -7.964 -6.164 1.00 0.00 C ATOM 614 NZ LYS A 115 -14.043 -9.331 -5.606 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.903 -3.551 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.311 -5.454 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.762 -4.173 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.076 -5.783 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.184 -4.876 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.494 -5.811 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.783 -6.684 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -15.388 -7.274 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.312 -7.910 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -12.792 -7.767 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.615 -10.029 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.586 -9.391 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.059 -9.529 -5.507 1.00 0.00 H new ATOM 628 N LEU A 116 -10.043 -4.138 -5.559 1.00 0.00 N ATOM 629 CA LEU A 116 -8.704 -3.883 -6.105 1.00 0.00 C ATOM 630 C LEU A 116 -8.303 -4.927 -7.151 1.00 0.00 C ATOM 631 O LEU A 116 -8.250 -6.123 -6.866 1.00 0.00 O ATOM 632 CB LEU A 116 -7.661 -3.844 -4.984 1.00 0.00 C ATOM 633 CG LEU A 116 -6.593 -2.757 -5.133 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.556 -2.876 -4.029 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.926 -2.844 -6.499 1.00 0.00 C ATOM 0 H LEU A 116 -10.102 -4.081 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.740 -2.911 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.176 -3.699 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.166 -4.814 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.079 -1.785 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.804 -2.096 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.042 -2.764 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.077 -3.853 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.170 -2.063 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.454 -3.820 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.676 -2.711 -7.279 1.00 0.00 H new ATOM 647 N THR A 117 -8.028 -4.459 -8.365 1.00 0.00 N ATOM 648 CA THR A 117 -7.640 -5.341 -9.459 1.00 0.00 C ATOM 649 C THR A 117 -6.362 -6.104 -9.124 1.00 0.00 C ATOM 650 O THR A 117 -5.526 -5.632 -8.352 1.00 0.00 O ATOM 651 CB THR A 117 -7.446 -4.536 -10.743 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.561 -3.450 -10.526 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.737 -3.972 -11.296 1.00 0.00 C ATOM 0 H THR A 117 -8.067 -3.471 -8.615 1.00 0.00 H new ATOM 0 HA THR A 117 -8.441 -6.065 -9.608 1.00 0.00 H new ATOM 0 HB THR A 117 -7.036 -5.241 -11.467 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.448 -2.948 -11.360 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.528 -3.412 -12.207 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.424 -4.788 -11.521 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.190 -3.309 -10.559 1.00 0.00 H new ATOM 661 N ASP A 118 -6.219 -7.287 -9.713 1.00 0.00 N ATOM 662 CA ASP A 118 -5.045 -8.121 -9.483 1.00 0.00 C ATOM 663 C ASP A 118 -3.799 -7.497 -10.103 1.00 0.00 C ATOM 664 O ASP A 118 -2.688 -7.679 -9.605 1.00 0.00 O ATOM 665 CB ASP A 118 -5.269 -9.519 -10.062 1.00 0.00 C ATOM 666 CG ASP A 118 -5.597 -9.485 -11.542 1.00 0.00 C ATOM 667 OD1 ASP A 118 -6.748 -9.143 -11.887 1.00 0.00 O ATOM 668 OD2 ASP A 118 -4.704 -9.800 -12.355 1.00 0.00 O1- ATOM 0 H ASP A 118 -6.903 -7.690 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.891 -8.198 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.375 -10.122 -9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -6.082 -10.007 -9.523 1.00 0.00 H new ATOM 673 N ASP A 119 -3.989 -6.764 -11.197 1.00 0.00 N ATOM 674 CA ASP A 119 -2.879 -6.119 -11.888 1.00 0.00 C ATOM 675 C ASP A 119 -2.267 -5.008 -11.039 1.00 0.00 C ATOM 676 O ASP A 119 -1.047 -4.911 -10.914 1.00 0.00 O ATOM 677 CB ASP A 119 -3.349 -5.547 -13.228 1.00 0.00 C ATOM 678 CG ASP A 119 -4.433 -4.500 -13.063 1.00 0.00 C ATOM 679 OD1 ASP A 119 -4.092 -3.336 -12.762 1.00 0.00 O ATOM 680 OD2 ASP A 119 -5.621 -4.842 -13.234 1.00 0.00 O1- ATOM 0 H ASP A 119 -4.902 -6.603 -11.623 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.114 -6.875 -12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -2.499 -5.107 -13.750 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -3.723 -6.357 -13.854 1.00 0.00 H new ATOM 685 N GLU A 120 -3.122 -4.170 -10.461 1.00 0.00 N ATOM 686 CA GLU A 120 -2.663 -3.064 -9.628 1.00 0.00 C ATOM 687 C GLU A 120 -1.899 -3.574 -8.410 1.00 0.00 C ATOM 688 O GLU A 120 -0.859 -3.026 -8.044 1.00 0.00 O ATOM 689 CB GLU A 120 -3.851 -2.211 -9.181 1.00 0.00 C ATOM 690 CG GLU A 120 -3.447 -0.953 -8.428 1.00 0.00 C ATOM 691 CD GLU A 120 -4.588 0.038 -8.298 1.00 0.00 C ATOM 692 OE1 GLU A 120 -5.742 -0.406 -8.120 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -4.327 1.257 -8.377 1.00 0.00 O ATOM 0 H GLU A 120 -4.136 -4.236 -10.554 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.986 -2.451 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.435 -1.929 -10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.501 -2.812 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.093 -1.226 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.613 -0.477 -8.944 1.00 0.00 H new ATOM 700 N VAL A 121 -2.419 -4.628 -7.789 1.00 0.00 N ATOM 701 CA VAL A 121 -1.784 -5.209 -6.615 1.00 0.00 C ATOM 702 C VAL A 121 -0.518 -5.970 -7.000 1.00 0.00 C ATOM 703 O VAL A 121 0.440 -6.023 -6.233 1.00 0.00 O ATOM 704 CB VAL A 121 -2.747 -6.155 -5.865 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.166 -7.316 -6.753 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.112 -6.659 -4.576 1.00 0.00 C ATOM 0 H VAL A 121 -3.278 -5.096 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.518 -4.386 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.642 -5.591 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.844 -7.969 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.671 -6.932 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.284 -7.881 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.807 -7.324 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.196 -7.202 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.877 -5.812 -3.931 1.00 0.00 H new ATOM 716 N ASP A 122 -0.525 -6.559 -8.190 1.00 0.00 N ATOM 717 CA ASP A 122 0.624 -7.317 -8.674 1.00 0.00 C ATOM 718 C ASP A 122 1.784 -6.391 -9.029 1.00 0.00 C ATOM 719 O ASP A 122 2.950 -6.777 -8.938 1.00 0.00 O ATOM 720 CB ASP A 122 0.231 -8.153 -9.894 1.00 0.00 C ATOM 721 CG ASP A 122 -0.185 -9.562 -9.521 1.00 0.00 C ATOM 722 OD1 ASP A 122 0.693 -10.450 -9.480 1.00 0.00 O1- ATOM 723 OD2 ASP A 122 -1.389 -9.778 -9.270 1.00 0.00 O ATOM 0 H ASP A 122 -1.312 -6.527 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 122 0.950 -7.982 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.589 -7.662 -10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.071 -8.197 -10.587 1.00 0.00 H new ATOM 728 N GLU A 123 1.458 -5.170 -9.441 1.00 0.00 N ATOM 729 CA GLU A 123 2.473 -4.193 -9.819 1.00 0.00 C ATOM 730 C GLU A 123 3.167 -3.601 -8.595 1.00 0.00 C ATOM 731 O GLU A 123 4.376 -3.370 -8.612 1.00 0.00 O ATOM 732 CB GLU A 123 1.844 -3.075 -10.650 1.00 0.00 C ATOM 733 CG GLU A 123 2.828 -2.378 -11.578 1.00 0.00 C ATOM 734 CD GLU A 123 2.626 -2.752 -13.033 1.00 0.00 C ATOM 735 OE1 GLU A 123 1.469 -3.020 -13.422 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 3.624 -2.778 -13.784 1.00 0.00 O ATOM 0 H GLU A 123 0.499 -4.833 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 123 3.225 -4.711 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.029 -3.489 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.406 -2.337 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.724 -1.299 -11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.845 -2.632 -11.280 1.00 0.00 H new ATOM 743 N MET A 124 2.399 -3.341 -7.541 1.00 0.00 N ATOM 744 CA MET A 124 2.956 -2.761 -6.322 1.00 0.00 C ATOM 745 C MET A 124 3.750 -3.789 -5.516 1.00 0.00 C ATOM 746 O MET A 124 4.752 -3.451 -4.883 1.00 0.00 O ATOM 747 CB MET A 124 1.845 -2.145 -5.465 1.00 0.00 C ATOM 748 CG MET A 124 0.908 -3.168 -4.842 1.00 0.00 C ATOM 749 SD MET A 124 1.094 -3.296 -3.051 1.00 0.00 S ATOM 750 CE MET A 124 -0.232 -4.433 -2.653 1.00 0.00 C ATOM 0 H MET A 124 1.396 -3.521 -7.505 1.00 0.00 H new ATOM 0 HA MET A 124 3.648 -1.973 -6.619 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.299 -1.552 -4.671 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.262 -1.460 -6.081 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.122 -2.899 -5.077 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.093 -4.143 -5.292 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.482 -4.345 -1.596 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.109 -4.194 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.087 -5.453 -2.866 1.00 0.00 H new ATOM 760 N ILE A 125 3.305 -5.042 -5.538 1.00 0.00 N ATOM 761 CA ILE A 125 3.987 -6.103 -4.804 1.00 0.00 C ATOM 762 C ILE A 125 5.283 -6.515 -5.497 1.00 0.00 C ATOM 763 O ILE A 125 6.234 -6.953 -4.850 1.00 0.00 O ATOM 764 CB ILE A 125 3.081 -7.340 -4.621 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.743 -7.971 -5.977 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.814 -6.950 -3.871 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.809 -9.160 -5.883 1.00 0.00 C ATOM 0 H ILE A 125 2.479 -5.347 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 125 4.227 -5.700 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 125 3.618 -8.084 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.289 -7.214 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.668 -8.285 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.180 -7.828 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.079 -6.551 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.275 -6.191 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.617 -9.552 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.269 -9.936 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.869 -8.849 -5.428 1.00 0.00 H new ATOM 779 N ARG A 126 5.312 -6.373 -6.818 1.00 0.00 N ATOM 780 CA ARG A 126 6.490 -6.731 -7.600 1.00 0.00 C ATOM 781 C ARG A 126 7.622 -5.739 -7.356 1.00 0.00 C ATOM 782 O ARG A 126 8.798 -6.095 -7.423 1.00 0.00 O ATOM 783 CB ARG A 126 6.144 -6.774 -9.089 1.00 0.00 C ATOM 784 CG ARG A 126 7.273 -7.299 -9.962 1.00 0.00 C ATOM 785 CD ARG A 126 6.743 -7.920 -11.245 1.00 0.00 C ATOM 786 NE ARG A 126 7.815 -8.232 -12.187 1.00 0.00 N ATOM 787 CZ ARG A 126 8.650 -9.263 -12.055 1.00 0.00 C ATOM 788 NH1 ARG A 126 8.548 -10.088 -11.019 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 9.593 -9.469 -12.965 1.00 0.00 N ATOM 0 H ARG A 126 4.533 -6.013 -7.370 1.00 0.00 H new ATOM 0 HA ARG A 126 6.822 -7.720 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.264 -7.402 -9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.876 -5.771 -9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.955 -6.484 -10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.848 -8.041 -9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 126 6.194 -8.831 -11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.036 -7.235 -11.714 1.00 0.00 H new ATOM 0 HE ARG A 126 7.932 -7.623 -12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.826 -9.936 -10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.192 -10.874 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.678 -8.839 -13.763 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.233 -10.257 -12.867 1.00 0.00 H new ATOM 803 N GLU A 127 7.258 -4.492 -7.078 1.00 0.00 N ATOM 804 CA GLU A 127 8.241 -3.444 -6.829 1.00 0.00 C ATOM 805 C GLU A 127 8.445 -3.192 -5.330 1.00 0.00 C ATOM 806 O GLU A 127 9.314 -2.408 -4.948 1.00 0.00 O ATOM 807 CB GLU A 127 7.805 -2.148 -7.517 1.00 0.00 C ATOM 808 CG GLU A 127 8.908 -1.107 -7.614 1.00 0.00 C ATOM 809 CD GLU A 127 9.545 -1.060 -8.990 1.00 0.00 C ATOM 810 OE1 GLU A 127 10.084 -2.097 -9.430 1.00 0.00 O ATOM 811 OE2 GLU A 127 9.503 0.014 -9.627 1.00 0.00 O1- ATOM 0 H GLU A 127 6.288 -4.182 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 127 9.192 -3.781 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.449 -2.382 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.963 -1.723 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.499 -0.126 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.674 -1.324 -6.870 1.00 0.00 H new ATOM 818 N ALA A 128 7.646 -3.841 -4.481 1.00 0.00 N ATOM 819 CA ALA A 128 7.765 -3.647 -3.040 1.00 0.00 C ATOM 820 C ALA A 128 9.064 -4.236 -2.495 1.00 0.00 C ATOM 821 O ALA A 128 9.824 -3.543 -1.820 1.00 0.00 O ATOM 822 CB ALA A 128 6.569 -4.261 -2.327 1.00 0.00 C ATOM 0 H ALA A 128 6.919 -4.497 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 128 7.784 -2.574 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.669 -4.110 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.653 -3.785 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.527 -5.329 -2.541 1.00 0.00 H new ATOM 828 N ASP A 129 9.319 -5.511 -2.797 1.00 0.00 N ATOM 829 CA ASP A 129 10.535 -6.188 -2.338 1.00 0.00 C ATOM 830 C ASP A 129 10.533 -7.654 -2.764 1.00 0.00 C ATOM 831 O ASP A 129 11.321 -8.067 -3.616 1.00 0.00 O ATOM 832 CB ASP A 129 10.666 -6.101 -0.808 1.00 0.00 C ATOM 833 CG ASP A 129 11.931 -6.763 -0.292 1.00 0.00 C ATOM 834 OD1 ASP A 129 13.033 -6.268 -0.609 1.00 0.00 O1- ATOM 835 OD2 ASP A 129 11.818 -7.777 0.429 1.00 0.00 O ATOM 0 H ASP A 129 8.700 -6.096 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 129 11.386 -5.684 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.659 -5.054 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.799 -6.572 -0.345 1.00 0.00 H new ATOM 915 N ILE A 136 7.486 -8.851 2.617 1.00 0.00 N ATOM 916 CA ILE A 136 7.655 -7.578 1.929 1.00 0.00 C ATOM 917 C ILE A 136 7.632 -6.411 2.908 1.00 0.00 C ATOM 918 O ILE A 136 6.589 -6.078 3.470 1.00 0.00 O ATOM 919 CB ILE A 136 6.558 -7.361 0.870 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.417 -8.603 -0.013 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.873 -6.138 0.023 1.00 0.00 C ATOM 922 CD1 ILE A 136 5.195 -8.575 -0.903 1.00 0.00 C ATOM 0 HA ILE A 136 8.627 -7.616 1.437 1.00 0.00 H new ATOM 0 HB ILE A 136 5.610 -7.191 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.307 -8.700 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.374 -9.488 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.088 -5.998 -0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.928 -5.257 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.829 -6.281 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.159 -9.486 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.298 -8.509 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.246 -7.710 -1.564 1.00 0.00 H new ATOM 934 N ASN A 137 8.790 -5.788 3.104 1.00 0.00 N ATOM 935 CA ASN A 137 8.900 -4.653 4.010 1.00 0.00 C ATOM 936 C ASN A 137 8.172 -3.440 3.437 1.00 0.00 C ATOM 937 O ASN A 137 8.410 -3.044 2.297 1.00 0.00 O ATOM 938 CB ASN A 137 10.375 -4.319 4.264 1.00 0.00 C ATOM 939 CG ASN A 137 10.841 -4.771 5.633 1.00 0.00 C ATOM 940 OD1 ASN A 137 11.628 -5.841 5.667 1.00 0.00 O flip ATOM 941 ND2 ASN A 137 10.500 -4.166 6.649 1.00 0.00 N flip ATOM 0 H ASN A 137 9.664 -6.051 2.648 1.00 0.00 H new ATOM 0 HA ASN A 137 8.433 -4.919 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.989 -4.794 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.523 -3.243 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 137 9.894 -3.349 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 137 10.823 -4.482 7.563 1.00 0.00 H new ATOM 948 N TYR A 138 7.279 -2.859 4.232 1.00 0.00 N ATOM 949 CA TYR A 138 6.515 -1.695 3.792 1.00 0.00 C ATOM 950 C TYR A 138 7.317 -0.395 3.906 1.00 0.00 C ATOM 951 O TYR A 138 6.796 0.676 3.604 1.00 0.00 O ATOM 952 CB TYR A 138 5.207 -1.574 4.579 1.00 0.00 C ATOM 953 CG TYR A 138 5.363 -1.778 6.067 1.00 0.00 C ATOM 954 CD1 TYR A 138 6.209 -0.970 6.814 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.666 -2.783 6.723 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.355 -1.157 8.174 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.804 -2.976 8.082 1.00 0.00 C ATOM 958 CZ TYR A 138 5.650 -2.162 8.804 1.00 0.00 C ATOM 959 OH TYR A 138 5.793 -2.351 10.159 1.00 0.00 O ATOM 0 H TYR A 138 7.067 -3.172 5.179 1.00 0.00 H new ATOM 0 HA TYR A 138 6.287 -1.850 2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.778 -0.588 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.495 -2.305 4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.762 -0.182 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.004 -3.425 6.160 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.017 -0.520 8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.252 -3.761 8.578 1.00 0.00 H new ATOM 0 HH TYR A 138 4.960 -2.710 10.529 1.00 0.00 H new ATOM 969 N GLU A 139 8.580 -0.483 4.331 1.00 0.00 N ATOM 970 CA GLU A 139 9.422 0.702 4.464 1.00 0.00 C ATOM 971 C GLU A 139 10.141 0.994 3.152 1.00 0.00 C ATOM 972 O GLU A 139 10.274 2.149 2.746 1.00 0.00 O ATOM 973 CB GLU A 139 10.441 0.511 5.592 1.00 0.00 C ATOM 974 CG GLU A 139 11.427 -0.618 5.340 1.00 0.00 C ATOM 975 CD GLU A 139 12.305 -0.902 6.543 1.00 0.00 C ATOM 976 OE1 GLU A 139 11.857 -0.643 7.679 1.00 0.00 O ATOM 977 OE2 GLU A 139 13.442 -1.384 6.348 1.00 0.00 O1- ATOM 0 H GLU A 139 9.037 -1.358 4.587 1.00 0.00 H new ATOM 0 HA GLU A 139 8.784 1.551 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.994 1.440 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 139 9.908 0.315 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 139 10.879 -1.522 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.056 -0.363 4.487 1.00 0.00 H new ATOM 984 N GLU A 140 10.589 -0.064 2.484 1.00 0.00 N ATOM 985 CA GLU A 140 11.274 0.075 1.208 1.00 0.00 C ATOM 986 C GLU A 140 10.258 0.364 0.113 1.00 0.00 C ATOM 987 O GLU A 140 10.501 1.172 -0.784 1.00 0.00 O ATOM 988 CB GLU A 140 12.059 -1.196 0.879 1.00 0.00 C ATOM 989 CG GLU A 140 12.977 -1.052 -0.323 1.00 0.00 C ATOM 990 CD GLU A 140 14.125 -2.042 -0.301 1.00 0.00 C ATOM 991 OE1 GLU A 140 13.880 -3.240 -0.554 1.00 0.00 O1- ATOM 992 OE2 GLU A 140 15.269 -1.619 -0.032 1.00 0.00 O ATOM 0 H GLU A 140 10.489 -1.026 2.807 1.00 0.00 H new ATOM 0 HA GLU A 140 11.978 0.904 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 140 12.653 -1.480 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.357 -2.009 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.399 -1.192 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.377 -0.038 -0.351 1.00 0.00 H new ATOM 999 N PHE A 141 9.108 -0.297 0.209 1.00 0.00 N ATOM 1000 CA PHE A 141 8.032 -0.112 -0.753 1.00 0.00 C ATOM 1001 C PHE A 141 7.503 1.318 -0.670 1.00 0.00 C ATOM 1002 O PHE A 141 7.324 1.985 -1.688 1.00 0.00 O ATOM 1003 CB PHE A 141 6.912 -1.131 -0.480 1.00 0.00 C ATOM 1004 CG PHE A 141 5.640 -0.887 -1.248 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.635 -0.869 -2.633 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.447 -0.678 -0.575 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.465 -0.646 -3.332 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.274 -0.454 -1.268 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.283 -0.437 -2.649 1.00 0.00 C ATOM 0 H PHE A 141 8.899 -0.968 0.948 1.00 0.00 H new ATOM 0 HA PHE A 141 8.410 -0.278 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.280 -2.128 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.684 -1.124 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.557 -1.031 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.434 -0.690 0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.474 -0.635 -4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.351 -0.292 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.367 -0.261 -3.194 1.00 0.00 H new ATOM 1019 N VAL A 142 7.267 1.786 0.553 1.00 0.00 N ATOM 1020 CA VAL A 142 6.774 3.140 0.763 1.00 0.00 C ATOM 1021 C VAL A 142 7.845 4.166 0.403 1.00 0.00 C ATOM 1022 O VAL A 142 7.536 5.259 -0.071 1.00 0.00 O ATOM 1023 CB VAL A 142 6.311 3.362 2.222 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.481 3.280 3.194 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.595 4.696 2.354 1.00 0.00 C ATOM 0 H VAL A 142 7.409 1.249 1.408 1.00 0.00 H new ATOM 0 HA VAL A 142 5.913 3.273 0.108 1.00 0.00 H new ATOM 0 HB VAL A 142 5.613 2.565 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.122 3.440 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.944 2.296 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.216 4.045 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.276 4.837 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.272 5.502 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.723 4.707 1.700 1.00 0.00 H new ATOM 1035 N ARG A 143 9.105 3.805 0.635 1.00 0.00 N ATOM 1036 CA ARG A 143 10.219 4.696 0.336 1.00 0.00 C ATOM 1037 C ARG A 143 10.291 4.995 -1.156 1.00 0.00 C ATOM 1038 O ARG A 143 10.304 6.154 -1.562 1.00 0.00 O ATOM 1039 CB ARG A 143 11.537 4.077 0.807 1.00 0.00 C ATOM 1040 CG ARG A 143 12.740 4.985 0.609 1.00 0.00 C ATOM 1041 CD ARG A 143 13.897 4.581 1.507 1.00 0.00 C ATOM 1042 NE ARG A 143 15.187 4.993 0.959 1.00 0.00 N ATOM 1043 CZ ARG A 143 16.356 4.460 1.316 1.00 0.00 C ATOM 1044 NH1 ARG A 143 16.410 3.490 2.222 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 17.479 4.900 0.763 1.00 0.00 N ATOM 0 H ARG A 143 9.378 2.904 1.028 1.00 0.00 H new ATOM 0 HA ARG A 143 10.054 5.632 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.453 3.824 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 143 11.704 3.144 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 143 13.057 4.948 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.457 6.016 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.763 5.027 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 143 13.890 3.499 1.643 1.00 0.00 H new ATOM 0 HE ARG A 143 15.194 5.735 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.552 3.146 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 143 17.310 3.090 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 143 17.447 5.644 0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 143 18.374 4.494 1.034 1.00 0.00 H new ATOM 1059 N MET A 144 10.333 3.944 -1.970 1.00 0.00 N ATOM 1060 CA MET A 144 10.401 4.104 -3.418 1.00 0.00 C ATOM 1061 C MET A 144 9.077 4.619 -3.972 1.00 0.00 C ATOM 1062 O MET A 144 9.048 5.347 -4.964 1.00 0.00 O ATOM 1063 CB MET A 144 10.770 2.779 -4.088 1.00 0.00 C ATOM 1064 CG MET A 144 9.949 1.597 -3.594 1.00 0.00 C ATOM 1065 SD MET A 144 9.226 0.630 -4.935 1.00 0.00 S ATOM 1066 CE MET A 144 7.795 1.629 -5.339 1.00 0.00 C ATOM 0 H MET A 144 10.321 2.975 -1.652 1.00 0.00 H new ATOM 0 HA MET A 144 11.176 4.838 -3.638 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.638 2.877 -5.166 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.826 2.575 -3.914 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.583 0.950 -2.988 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.152 1.961 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.107 1.048 -5.953 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.293 1.934 -4.421 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.113 2.514 -5.890 1.00 0.00 H new ATOM 1076 N MET A 145 7.980 4.238 -3.321 1.00 0.00 N ATOM 1077 CA MET A 145 6.649 4.661 -3.746 1.00 0.00 C ATOM 1078 C MET A 145 6.542 6.184 -3.767 1.00 0.00 C ATOM 1079 O MET A 145 5.851 6.757 -4.608 1.00 0.00 O ATOM 1080 CB MET A 145 5.585 4.077 -2.813 1.00 0.00 C ATOM 1081 CG MET A 145 4.164 4.469 -3.185 1.00 0.00 C ATOM 1082 SD MET A 145 2.960 3.194 -2.768 1.00 0.00 S ATOM 1083 CE MET A 145 3.276 3.002 -1.016 1.00 0.00 C ATOM 0 H MET A 145 7.987 3.637 -2.497 1.00 0.00 H new ATOM 0 HA MET A 145 6.482 4.289 -4.757 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.666 2.990 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.788 4.406 -1.794 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.900 5.394 -2.672 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.116 4.673 -4.255 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.382 2.618 -0.525 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.099 2.303 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.540 3.968 -0.586 1.00 0.00 H new ATOM 1093 N VAL A 146 7.234 6.831 -2.835 1.00 0.00 N ATOM 1094 CA VAL A 146 7.221 8.286 -2.744 1.00 0.00 C ATOM 1095 C VAL A 146 8.547 8.882 -3.219 1.00 0.00 C ATOM 1096 O VAL A 146 8.597 10.032 -3.657 1.00 0.00 O ATOM 1097 CB VAL A 146 6.931 8.759 -1.304 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.580 8.238 -0.835 1.00 0.00 C ATOM 1099 CG2 VAL A 146 8.035 8.321 -0.349 1.00 0.00 C ATOM 0 H VAL A 146 7.811 6.370 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 146 6.421 8.637 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 146 6.902 9.849 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.391 8.581 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 146 4.797 8.611 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.583 7.148 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.804 8.668 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.107 7.233 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.985 8.748 -0.671 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.795 -3.644 9.847 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.732 -4.100 8.957 1.00 0.00 C ATOM 1233 C GLU B1905 -8.966 -3.614 7.527 1.00 0.00 C ATOM 1234 O GLU B1905 -8.062 -3.072 6.889 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.637 -5.628 8.985 1.00 0.00 C ATOM 1236 CG GLU B1905 -7.547 -6.153 9.907 1.00 0.00 C ATOM 1237 CD GLU B1905 -7.841 -7.550 10.419 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -7.491 -8.524 9.721 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -8.419 -7.669 11.520 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.791 -3.678 9.310 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.597 -6.038 9.300 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.452 -5.991 7.974 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -6.596 -6.158 9.374 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -7.435 -5.476 10.754 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.183 -3.811 7.028 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.527 -3.392 5.673 1.00 0.00 C ATOM 1248 C GLU B1906 -10.303 -1.894 5.489 1.00 0.00 C ATOM 1249 O GLU B1906 -9.733 -1.464 4.488 1.00 0.00 O ATOM 1250 CB GLU B1906 -11.981 -3.750 5.350 1.00 0.00 C ATOM 1251 CG GLU B1906 -13.000 -3.059 6.243 1.00 0.00 C ATOM 1252 CD GLU B1906 -14.432 -3.418 5.889 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -14.631 -4.334 5.062 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -15.356 -2.784 6.441 1.00 0.00 O1- ATOM 0 H GLU B1906 -10.945 -4.256 7.539 1.00 0.00 H new ATOM 0 HA GLU B1906 -9.872 -3.925 4.983 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.187 -3.489 4.312 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.107 -4.829 5.439 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.809 -3.329 7.281 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -12.871 -1.979 6.166 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.750 -1.104 6.467 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.600 0.352 6.422 1.00 0.00 C ATOM 1263 C VAL B1907 -9.155 0.754 6.134 1.00 0.00 C ATOM 1264 O VAL B1907 -8.882 1.520 5.205 1.00 0.00 O ATOM 1265 CB VAL B1907 -11.045 1.001 7.745 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -11.076 2.515 7.616 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -12.405 0.466 8.171 1.00 0.00 C ATOM 0 H VAL B1907 -11.221 -1.450 7.303 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.239 0.708 5.614 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.320 0.742 8.516 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -11.393 2.954 8.562 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -10.080 2.879 7.362 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.777 2.799 6.831 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -12.704 0.936 9.108 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -13.142 0.692 7.401 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -12.344 -0.613 8.310 1.00 0.00 H new ATOM 1277 N SER B1908 -8.228 0.219 6.928 1.00 0.00 N ATOM 1278 CA SER B1908 -6.808 0.507 6.751 1.00 0.00 C ATOM 1279 C SER B1908 -6.372 0.168 5.329 1.00 0.00 C ATOM 1280 O SER B1908 -5.486 0.811 4.766 1.00 0.00 O ATOM 1281 CB SER B1908 -5.975 -0.287 7.758 1.00 0.00 C ATOM 1282 OG SER B1908 -5.767 0.456 8.947 1.00 0.00 O ATOM 0 H SER B1908 -8.436 -0.415 7.699 1.00 0.00 H new ATOM 0 HA SER B1908 -6.647 1.571 6.924 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.480 -1.223 7.994 1.00 0.00 H new ATOM 0 HB3 SER B1908 -5.014 -0.547 7.315 1.00 0.00 H new ATOM 0 HG SER B1908 -6.428 0.189 9.619 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.016 -0.842 4.752 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.715 -1.262 3.393 1.00 0.00 C ATOM 1290 C ALA B1909 -7.263 -0.262 2.380 1.00 0.00 C ATOM 1291 O ALA B1909 -6.730 -0.126 1.279 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.283 -2.647 3.135 1.00 0.00 C ATOM 0 H ALA B1909 -7.750 -1.384 5.208 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.632 -1.300 3.277 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.051 -2.951 2.114 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.842 -3.357 3.834 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.364 -2.628 3.271 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.329 0.445 2.756 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.926 1.434 1.869 1.00 0.00 C ATOM 1300 C ILE B1910 -7.949 2.573 1.605 1.00 0.00 C ATOM 1301 O ILE B1910 -7.692 2.929 0.455 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.233 2.021 2.444 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.172 0.899 2.897 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.910 2.906 1.405 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -12.521 1.386 3.386 1.00 0.00 C ATOM 0 H ILE B1910 -8.791 0.350 3.661 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.161 0.917 0.939 1.00 0.00 H new ATOM 0 HB ILE B1910 -9.991 2.631 3.314 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.325 0.209 2.067 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -10.689 0.335 3.695 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.831 3.315 1.820 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.241 3.722 1.131 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.143 2.315 0.519 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -13.128 0.533 3.689 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.381 2.052 4.238 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -13.026 1.924 2.584 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.403 3.140 2.678 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.453 4.236 2.548 1.00 0.00 C ATOM 1319 C VAL B1911 -5.206 3.784 1.793 1.00 0.00 C ATOM 1320 O VAL B1911 -4.649 4.533 0.991 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.042 4.810 3.921 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.362 3.751 4.775 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.138 6.022 3.745 1.00 0.00 C ATOM 0 H VAL B1911 -7.601 2.860 3.639 1.00 0.00 H new ATOM 0 HA VAL B1911 -6.954 5.023 1.985 1.00 0.00 H new ATOM 0 HB VAL B1911 -6.947 5.128 4.439 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.083 4.183 5.736 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.047 2.919 4.936 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.468 3.392 4.266 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.859 6.413 4.723 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.240 5.730 3.201 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.667 6.792 3.184 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.774 2.555 2.054 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.595 2.011 1.397 1.00 0.00 C ATOM 1335 C ILE B1912 -3.826 1.933 -0.117 1.00 0.00 C ATOM 1336 O ILE B1912 -2.908 2.149 -0.913 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.193 0.632 2.029 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.710 0.632 2.389 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.511 -0.572 1.144 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.313 -0.500 3.311 1.00 0.00 C ATOM 0 H ILE B1912 -5.222 1.920 2.714 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.748 2.679 1.557 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.803 0.523 2.926 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.122 0.568 1.473 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.459 1.581 2.863 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.204 -1.487 1.650 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.583 -0.607 0.949 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -2.974 -0.482 0.200 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.246 -0.438 3.525 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.875 -0.425 4.242 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.532 -1.454 2.831 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.068 1.649 -0.503 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.429 1.573 -1.912 1.00 0.00 C ATOM 1354 C GLN B1913 -5.230 2.936 -2.566 1.00 0.00 C ATOM 1355 O GLN B1913 -4.741 3.036 -3.694 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.884 1.106 -2.068 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.035 -0.136 -2.932 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.433 -0.726 -2.873 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.409 -0.080 -3.256 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.535 -1.960 -2.393 1.00 0.00 N ATOM 0 H GLN B1913 -5.838 1.468 0.141 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.785 0.846 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.300 0.905 -1.081 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.472 1.915 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.794 0.114 -3.965 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.314 -0.887 -2.610 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.700 -2.459 -2.087 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.449 -2.409 -2.331 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.596 3.988 -1.836 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.443 5.349 -2.329 1.00 0.00 C ATOM 1371 C ARG B1914 -3.971 5.654 -2.581 1.00 0.00 C ATOM 1372 O ARG B1914 -3.628 6.401 -3.497 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.029 6.352 -1.330 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.835 7.460 -1.986 1.00 0.00 C ATOM 1375 CD ARG B1914 -7.796 8.106 -1.002 1.00 0.00 C ATOM 1376 NE ARG B1914 -8.441 9.291 -1.563 1.00 0.00 N ATOM 1377 CZ ARG B1914 -9.492 9.901 -1.014 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -10.024 9.447 0.117 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -10.013 10.970 -1.599 1.00 0.00 N ATOM 0 H ARG B1914 -6.000 3.921 -0.902 1.00 0.00 H new ATOM 0 HA ARG B1914 -5.987 5.440 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.666 5.819 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.217 6.796 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -6.159 8.216 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.394 7.055 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -8.558 7.382 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -7.256 8.382 -0.096 1.00 0.00 H new ATOM 0 HE ARG B1914 -8.064 9.676 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -9.628 8.625 0.573 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -10.828 9.921 0.529 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -9.610 11.324 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -10.817 11.439 -1.182 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.104 5.055 -1.766 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.668 5.247 -1.908 1.00 0.00 C ATOM 1395 C ALA B1915 -1.204 4.756 -3.272 1.00 0.00 C ATOM 1396 O ALA B1915 -0.439 5.430 -3.961 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.923 4.522 -0.798 1.00 0.00 C ATOM 0 H ALA B1915 -3.374 4.434 -1.003 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.449 6.312 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.149 4.676 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.239 4.914 0.169 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.145 3.456 -0.847 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.690 3.579 -3.665 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.344 2.999 -4.958 1.00 0.00 C ATOM 1405 C TYR B1916 -1.725 3.951 -6.088 1.00 0.00 C ATOM 1406 O TYR B1916 -0.991 4.099 -7.065 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.047 1.653 -5.145 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.775 0.666 -4.032 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.504 0.535 -3.487 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.790 -0.136 -3.525 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.253 -0.364 -2.470 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.546 -1.038 -2.507 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.277 -1.148 -1.983 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.031 -2.045 -0.969 1.00 0.00 O ATOM 0 H TYR B1916 -2.325 3.010 -3.105 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.266 2.838 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.122 1.821 -5.215 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.730 1.216 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.301 1.147 -3.865 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.786 -0.053 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.741 -0.453 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.346 -1.654 -2.124 1.00 0.00 H new ATOM 0 HH TYR B1916 -1.866 -2.495 -0.720 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.873 4.610 -5.935 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.342 5.566 -6.932 1.00 0.00 C ATOM 1426 C ARG B1917 -2.337 6.702 -7.082 1.00 0.00 C ATOM 1427 O ARG B1917 -2.142 7.236 -8.174 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.711 6.125 -6.537 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.877 5.278 -7.020 1.00 0.00 C ATOM 1430 CD ARG B1917 -7.002 5.238 -5.998 1.00 0.00 C ATOM 1431 NE ARG B1917 -8.194 4.574 -6.520 1.00 0.00 N ATOM 1432 CZ ARG B1917 -9.347 4.474 -5.856 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -9.472 4.990 -4.638 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -10.379 3.855 -6.413 1.00 0.00 N ATOM 0 H ARG B1917 -3.492 4.499 -5.132 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.440 5.050 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.760 6.210 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.813 7.132 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -6.254 5.679 -7.961 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.532 4.264 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -6.660 4.718 -5.103 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -7.256 6.255 -5.698 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.142 4.161 -7.451 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.683 5.467 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -10.357 4.909 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -10.291 3.456 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -11.261 3.778 -5.907 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.692 7.052 -5.974 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.689 8.110 -5.969 1.00 0.00 C ATOM 1450 C ARG B1918 0.647 7.575 -6.476 1.00 0.00 C ATOM 1451 O ARG B1918 1.427 8.302 -7.094 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.523 8.677 -4.559 1.00 0.00 C ATOM 1453 CG ARG B1918 0.106 10.059 -4.527 1.00 0.00 C ATOM 1454 CD ARG B1918 -0.952 11.151 -4.542 1.00 0.00 C ATOM 1455 NE ARG B1918 -1.183 11.673 -5.888 1.00 0.00 N ATOM 1456 CZ ARG B1918 -2.276 12.344 -6.252 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -3.247 12.581 -5.377 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -2.398 12.781 -7.498 1.00 0.00 N ATOM 0 H ARG B1918 -1.847 6.616 -5.065 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.024 8.908 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.500 8.721 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.091 7.994 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG B1918 0.722 10.159 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG B1918 0.767 10.179 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -1.886 10.756 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -0.642 11.965 -3.886 1.00 0.00 H new ATOM 0 HE ARG B1918 -0.463 11.514 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -3.160 12.249 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -4.079 13.095 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -1.657 12.604 -8.176 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -3.233 13.295 -7.779 1.00 0.00 H new ATOM 1472 N TYR B1919 0.900 6.292 -6.216 1.00 0.00 N ATOM 1473 CA TYR B1919 2.135 5.639 -6.646 1.00 0.00 C ATOM 1474 C TYR B1919 2.323 5.789 -8.157 1.00 0.00 C ATOM 1475 O TYR B1919 3.357 6.271 -8.620 1.00 0.00 O ATOM 1476 CB TYR B1919 2.100 4.155 -6.252 1.00 0.00 C ATOM 1477 CG TYR B1919 3.231 3.325 -6.829 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.557 3.706 -6.665 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.968 2.160 -7.538 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.587 2.950 -7.191 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.993 1.397 -8.067 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.300 1.798 -7.891 1.00 0.00 C ATOM 1483 OH TYR B1919 6.324 1.043 -8.416 1.00 0.00 O ATOM 0 H TYR B1919 0.261 5.682 -5.706 1.00 0.00 H new ATOM 0 HA TYR B1919 2.980 6.117 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.129 4.080 -5.165 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.151 3.728 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.786 4.608 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.945 1.844 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.612 3.260 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.771 0.493 -8.614 1.00 0.00 H new ATOM 0 HH TYR B1919 5.952 0.263 -8.879 1.00 0.00 H new ATOM 1493 N LEU B1920 1.315 5.373 -8.914 1.00 0.00 N ATOM 1494 CA LEU B1920 1.364 5.461 -10.366 1.00 0.00 C ATOM 1495 C LEU B1920 1.083 6.887 -10.828 1.00 0.00 C ATOM 1496 O LEU B1920 1.768 7.415 -11.703 1.00 0.00 O ATOM 1497 CB LEU B1920 0.353 4.495 -10.986 1.00 0.00 C ATOM 1498 CG LEU B1920 0.643 3.013 -10.741 1.00 0.00 C ATOM 1499 CD1 LEU B1920 -0.654 2.222 -10.652 1.00 0.00 C ATOM 1500 CD2 LEU B1920 1.534 2.456 -11.841 1.00 0.00 C ATOM 0 H LEU B1920 0.453 4.971 -8.545 1.00 0.00 H new ATOM 0 HA LEU B1920 2.365 5.184 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.637 4.726 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU B1920 0.317 4.670 -12.061 1.00 0.00 H new ATOM 0 HG LEU B1920 1.169 2.918 -9.791 1.00 0.00 H new ATOM 0 HD11 LEU B1920 -0.427 1.170 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU B1920 -1.258 2.605 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU B1920 -1.207 2.324 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU B1920 1.730 1.401 -11.651 1.00 0.00 H new ATOM 0 HD22 LEU B1920 1.034 2.565 -12.804 1.00 0.00 H new ATOM 0 HD23 LEU B1920 2.477 3.003 -11.858 1.00 0.00 H new