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 161:sc= -4.43! (180deg=-5.78!) USER MOD Set 1.2: B1919 TYR OH : rot -130:sc= -2.03 USER MOD Set 2.1: A 124 MET CE :methyl -163:sc= -4.55! (180deg=-5.3!) USER MOD Set 2.2: B1916 TYR OH : rot -179:sc= 0.701 USER MOD Single : A 81 SER OG : rot -15:sc= 0.494 USER MOD Single : A 90 LYS NZ :NH3+ 146:sc= -1.04 (180deg=-2.61!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.55 F(o=-2,f=-0.55) USER MOD Single : A 109 MET CE :methyl 164:sc= -0.72 (180deg=-1.16) USER MOD Single : A 110 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.0534 K(o=-0.053,f=-0.94) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.601 USER MOD Single : A 137 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.4) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.427 USER MOD Single : A 145 MET CE :methyl -157:sc= -0.823 (180deg=-0.875) USER MOD Single : B1908 SER OG : rot 97:sc= -3.3! USER MOD Single : B1913 GLN : amide:sc= -1.01 K(o=-1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.686 10.088 2.131 1.00 0.00 N ATOM 87 CA SER A 81 1.018 8.781 1.577 1.00 0.00 C ATOM 88 C SER A 81 1.843 7.952 2.555 1.00 0.00 C ATOM 89 O SER A 81 1.406 6.894 3.005 1.00 0.00 O ATOM 90 CB SER A 81 1.784 8.943 0.262 1.00 0.00 C ATOM 91 OG SER A 81 2.578 10.117 0.274 1.00 0.00 O ATOM 0 HA SER A 81 0.082 8.254 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.419 8.073 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.080 8.985 -0.569 1.00 0.00 H new ATOM 0 HG SER A 81 2.289 10.700 1.007 1.00 0.00 H new ATOM 97 N GLU A 82 3.043 8.430 2.870 1.00 0.00 N ATOM 98 CA GLU A 82 3.942 7.724 3.783 1.00 0.00 C ATOM 99 C GLU A 82 3.270 7.399 5.118 1.00 0.00 C ATOM 100 O GLU A 82 3.211 6.241 5.527 1.00 0.00 O ATOM 101 CB GLU A 82 5.200 8.561 4.028 1.00 0.00 C ATOM 102 CG GLU A 82 6.327 8.271 3.052 1.00 0.00 C ATOM 103 CD GLU A 82 7.370 9.370 3.027 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.184 10.347 2.272 1.00 0.00 O ATOM 105 OE2 GLU A 82 8.374 9.253 3.761 1.00 0.00 O1- ATOM 0 H GLU A 82 3.418 9.306 2.506 1.00 0.00 H new ATOM 0 HA GLU A 82 4.210 6.779 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.940 9.618 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.554 8.379 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.803 7.328 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.913 8.144 2.052 1.00 0.00 H new ATOM 112 N GLU A 83 2.786 8.429 5.801 1.00 0.00 N ATOM 113 CA GLU A 83 2.142 8.252 7.100 1.00 0.00 C ATOM 114 C GLU A 83 0.924 7.336 7.017 1.00 0.00 C ATOM 115 O GLU A 83 0.736 6.465 7.867 1.00 0.00 O ATOM 116 CB GLU A 83 1.731 9.609 7.671 1.00 0.00 C ATOM 117 CG GLU A 83 1.639 9.627 9.188 1.00 0.00 C ATOM 118 CD GLU A 83 1.868 11.008 9.770 1.00 0.00 C ATOM 119 OE1 GLU A 83 0.932 11.833 9.727 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 2.985 11.265 10.268 1.00 0.00 O ATOM 0 H GLU A 83 2.826 9.396 5.479 1.00 0.00 H new ATOM 0 HA GLU A 83 2.868 7.778 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.451 10.362 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.765 9.892 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.657 9.267 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.374 8.936 9.601 1.00 0.00 H new ATOM 127 N GLU A 84 0.092 7.542 6.004 1.00 0.00 N ATOM 128 CA GLU A 84 -1.114 6.737 5.832 1.00 0.00 C ATOM 129 C GLU A 84 -0.777 5.306 5.426 1.00 0.00 C ATOM 130 O GLU A 84 -1.268 4.347 6.022 1.00 0.00 O ATOM 131 CB GLU A 84 -2.028 7.371 4.783 1.00 0.00 C ATOM 132 CG GLU A 84 -2.603 8.712 5.206 1.00 0.00 C ATOM 133 CD GLU A 84 -3.921 9.022 4.523 1.00 0.00 C ATOM 134 OE1 GLU A 84 -3.894 9.480 3.361 1.00 0.00 O ATOM 135 OE2 GLU A 84 -4.979 8.807 5.149 1.00 0.00 O1- ATOM 0 H GLU A 84 0.228 8.257 5.290 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.630 6.705 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.468 7.501 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.848 6.686 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.748 8.717 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.885 9.500 4.977 1.00 0.00 H new ATOM 142 N LEU A 85 0.058 5.170 4.405 1.00 0.00 N ATOM 143 CA LEU A 85 0.460 3.860 3.905 1.00 0.00 C ATOM 144 C LEU A 85 1.118 3.027 5.005 1.00 0.00 C ATOM 145 O LEU A 85 0.758 1.868 5.215 1.00 0.00 O ATOM 146 CB LEU A 85 1.403 4.034 2.708 1.00 0.00 C ATOM 147 CG LEU A 85 2.152 2.779 2.249 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.178 1.739 1.724 1.00 0.00 C ATOM 149 CD2 LEU A 85 3.176 3.133 1.183 1.00 0.00 C ATOM 0 H LEU A 85 0.473 5.955 3.903 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.429 3.321 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.823 4.413 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.138 4.799 2.959 1.00 0.00 H new ATOM 0 HG LEU A 85 2.676 2.358 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.728 0.855 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.479 1.464 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.627 2.151 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.700 2.231 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.670 3.577 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.894 3.845 1.590 1.00 0.00 H new ATOM 161 N ILE A 86 2.081 3.618 5.704 1.00 0.00 N ATOM 162 CA ILE A 86 2.779 2.919 6.776 1.00 0.00 C ATOM 163 C ILE A 86 1.806 2.492 7.875 1.00 0.00 C ATOM 164 O ILE A 86 1.919 1.397 8.423 1.00 0.00 O ATOM 165 CB ILE A 86 3.901 3.798 7.382 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.897 4.204 6.297 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.621 3.069 8.511 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.639 5.486 6.606 1.00 0.00 C ATOM 0 H ILE A 86 2.395 4.576 5.548 1.00 0.00 H new ATOM 0 HA ILE A 86 3.233 2.028 6.341 1.00 0.00 H new ATOM 0 HB ILE A 86 3.441 4.695 7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.620 3.400 6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.366 4.320 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.403 3.710 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.908 2.823 9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.067 2.152 8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.328 5.712 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.925 6.302 6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.199 5.368 7.534 1.00 0.00 H new ATOM 180 N GLU A 87 0.853 3.362 8.191 1.00 0.00 N ATOM 181 CA GLU A 87 -0.133 3.069 9.226 1.00 0.00 C ATOM 182 C GLU A 87 -1.048 1.923 8.800 1.00 0.00 C ATOM 183 O GLU A 87 -1.233 0.953 9.537 1.00 0.00 O ATOM 184 CB GLU A 87 -0.967 4.314 9.532 1.00 0.00 C ATOM 185 CG GLU A 87 -1.763 4.209 10.822 1.00 0.00 C ATOM 186 CD GLU A 87 -1.102 4.937 11.977 1.00 0.00 C ATOM 187 OE1 GLU A 87 -0.180 4.361 12.593 1.00 0.00 O ATOM 188 OE2 GLU A 87 -1.507 6.083 12.265 1.00 0.00 O1- ATOM 0 H GLU A 87 0.742 4.274 7.747 1.00 0.00 H new ATOM 0 HA GLU A 87 0.402 2.767 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.306 5.179 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.653 4.494 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.761 4.618 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.887 3.158 11.083 1.00 0.00 H new ATOM 195 N ALA A 88 -1.616 2.042 7.605 1.00 0.00 N ATOM 196 CA ALA A 88 -2.512 1.017 7.084 1.00 0.00 C ATOM 197 C ALA A 88 -1.799 -0.322 6.961 1.00 0.00 C ATOM 198 O ALA A 88 -2.329 -1.356 7.366 1.00 0.00 O ATOM 199 CB ALA A 88 -3.070 1.442 5.737 1.00 0.00 C ATOM 0 H ALA A 88 -1.472 2.836 6.981 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.336 0.898 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.738 0.668 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.623 2.374 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.250 1.589 5.034 1.00 0.00 H new ATOM 205 N PHE A 89 -0.594 -0.301 6.403 1.00 0.00 N ATOM 206 CA PHE A 89 0.183 -1.520 6.234 1.00 0.00 C ATOM 207 C PHE A 89 0.524 -2.122 7.588 1.00 0.00 C ATOM 208 O PHE A 89 0.548 -3.342 7.755 1.00 0.00 O ATOM 209 CB PHE A 89 1.463 -1.245 5.434 1.00 0.00 C ATOM 210 CG PHE A 89 1.421 -1.719 4.004 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.781 -2.902 3.653 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.033 -0.978 3.007 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.753 -3.329 2.339 1.00 0.00 C ATOM 214 CE2 PHE A 89 2.008 -1.401 1.692 1.00 0.00 C ATOM 215 CZ PHE A 89 1.367 -2.577 1.357 1.00 0.00 C ATOM 0 H PHE A 89 -0.136 0.544 6.061 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.421 -2.235 5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.658 -0.173 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.302 -1.725 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.300 -3.495 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.537 -0.057 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.251 -4.250 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.490 -0.812 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.346 -2.908 0.329 1.00 0.00 H new ATOM 225 N LYS A 90 0.780 -1.251 8.554 1.00 0.00 N ATOM 226 CA LYS A 90 1.115 -1.675 9.913 1.00 0.00 C ATOM 227 C LYS A 90 0.042 -2.607 10.464 1.00 0.00 C ATOM 228 O LYS A 90 0.342 -3.594 11.136 1.00 0.00 O ATOM 229 CB LYS A 90 1.269 -0.456 10.826 1.00 0.00 C ATOM 230 CG LYS A 90 1.856 -0.783 12.189 1.00 0.00 C ATOM 231 CD LYS A 90 1.980 0.462 13.051 1.00 0.00 C ATOM 232 CE LYS A 90 3.297 1.179 12.806 1.00 0.00 C ATOM 233 NZ LYS A 90 3.275 1.967 11.543 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.763 -0.239 8.424 1.00 0.00 H new ATOM 0 HA LYS A 90 2.061 -2.215 9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.906 0.278 10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.293 0.010 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.225 -1.515 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.837 -1.240 12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.151 1.137 12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.904 0.187 14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.510 1.843 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.105 0.449 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.848 2.827 11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.666 1.393 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.295 2.232 11.316 1.00 0.00 H new ATOM 247 N VAL A 91 -1.212 -2.291 10.155 1.00 0.00 N ATOM 248 CA VAL A 91 -2.337 -3.104 10.599 1.00 0.00 C ATOM 249 C VAL A 91 -2.235 -4.527 10.049 1.00 0.00 C ATOM 250 O VAL A 91 -2.765 -5.468 10.640 1.00 0.00 O ATOM 251 CB VAL A 91 -3.680 -2.493 10.152 1.00 0.00 C ATOM 252 CG1 VAL A 91 -4.846 -3.244 10.778 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.737 -1.014 10.501 1.00 0.00 C ATOM 0 H VAL A 91 -1.474 -1.477 9.599 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.300 -3.131 11.688 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.758 -2.589 9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.785 -2.797 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.814 -4.289 10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.776 -3.185 11.864 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.692 -0.600 10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.634 -0.890 11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.925 -0.490 9.997 1.00 0.00 H new ATOM 263 N PHE A 92 -1.556 -4.676 8.912 1.00 0.00 N ATOM 264 CA PHE A 92 -1.395 -5.983 8.281 1.00 0.00 C ATOM 265 C PHE A 92 -0.012 -6.567 8.558 1.00 0.00 C ATOM 266 O PHE A 92 0.515 -7.340 7.757 1.00 0.00 O ATOM 267 CB PHE A 92 -1.619 -5.874 6.771 1.00 0.00 C ATOM 268 CG PHE A 92 -2.818 -5.048 6.398 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.042 -5.262 7.012 1.00 0.00 C ATOM 270 CD2 PHE A 92 -2.720 -4.056 5.435 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.146 -4.503 6.672 1.00 0.00 C ATOM 272 CE2 PHE A 92 -3.820 -3.294 5.091 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.035 -3.517 5.710 1.00 0.00 C ATOM 0 H PHE A 92 -1.110 -3.908 8.411 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.140 -6.653 8.709 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.732 -5.439 6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.735 -6.875 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.134 -6.031 7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.773 -3.877 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.094 -4.680 7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.730 -2.524 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.896 -2.922 5.443 1.00 0.00 H new ATOM 352 N GLY A 98 6.904 -5.470 10.529 1.00 0.00 N ATOM 353 CA GLY A 98 6.432 -4.653 9.425 1.00 0.00 C ATOM 354 C GLY A 98 6.626 -5.312 8.071 1.00 0.00 C ATOM 355 O GLY A 98 6.995 -4.648 7.100 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.374 -4.436 9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.958 -3.698 9.436 1.00 0.00 H new ATOM 359 N LEU A 99 6.370 -6.614 8.003 1.00 0.00 N ATOM 360 CA LEU A 99 6.510 -7.359 6.758 1.00 0.00 C ATOM 361 C LEU A 99 5.154 -7.884 6.301 1.00 0.00 C ATOM 362 O LEU A 99 4.320 -8.264 7.123 1.00 0.00 O ATOM 363 CB LEU A 99 7.488 -8.521 6.937 1.00 0.00 C ATOM 364 CG LEU A 99 8.969 -8.134 6.902 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.839 -9.308 7.334 1.00 0.00 C ATOM 366 CD2 LEU A 99 9.368 -7.645 5.511 1.00 0.00 C ATOM 0 H LEU A 99 6.064 -7.176 8.797 1.00 0.00 H new ATOM 0 HA LEU A 99 6.903 -6.686 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.278 -9.009 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.302 -9.256 6.154 1.00 0.00 H new ATOM 0 HG LEU A 99 9.126 -7.316 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.888 -9.014 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.575 -9.602 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.677 -10.148 6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.424 -7.375 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.195 -8.438 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.770 -6.773 5.247 1.00 0.00 H new ATOM 378 N ILE A 100 4.932 -7.900 4.991 1.00 0.00 N ATOM 379 CA ILE A 100 3.668 -8.376 4.445 1.00 0.00 C ATOM 380 C ILE A 100 3.891 -9.284 3.238 1.00 0.00 C ATOM 381 O ILE A 100 4.777 -9.041 2.420 1.00 0.00 O ATOM 382 CB ILE A 100 2.752 -7.196 4.053 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.374 -7.707 3.630 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.382 -6.363 2.945 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.307 -6.635 3.631 1.00 0.00 C ATOM 0 H ILE A 100 5.607 -7.591 4.292 1.00 0.00 H new ATOM 0 HA ILE A 100 3.177 -8.955 5.227 1.00 0.00 H new ATOM 0 HB ILE A 100 2.629 -6.555 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.445 -8.137 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.071 -8.511 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.717 -5.538 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.338 -5.965 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.543 -6.988 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.644 -7.068 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.208 -6.222 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.588 -5.842 2.938 1.00 0.00 H new ATOM 397 N SER A 101 3.082 -10.335 3.137 1.00 0.00 N ATOM 398 CA SER A 101 3.193 -11.283 2.034 1.00 0.00 C ATOM 399 C SER A 101 2.429 -10.791 0.810 1.00 0.00 C ATOM 400 O SER A 101 1.334 -10.241 0.928 1.00 0.00 O ATOM 401 CB SER A 101 2.667 -12.656 2.459 1.00 0.00 C ATOM 402 OG SER A 101 3.451 -13.201 3.507 1.00 0.00 O ATOM 0 H SER A 101 2.343 -10.551 3.806 1.00 0.00 H new ATOM 0 HA SER A 101 4.247 -11.369 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.631 -12.567 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.676 -13.333 1.604 1.00 0.00 H new ATOM 0 HG SER A 101 3.093 -14.077 3.761 1.00 0.00 H new ATOM 408 N ALA A 102 3.014 -10.995 -0.367 1.00 0.00 N ATOM 409 CA ALA A 102 2.390 -10.574 -1.615 1.00 0.00 C ATOM 410 C ALA A 102 1.184 -11.446 -1.951 1.00 0.00 C ATOM 411 O ALA A 102 0.148 -10.947 -2.387 1.00 0.00 O ATOM 412 CB ALA A 102 3.404 -10.616 -2.749 1.00 0.00 C ATOM 0 H ALA A 102 3.920 -11.450 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 102 2.039 -9.550 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.926 -10.299 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.233 -9.946 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.780 -11.633 -2.863 1.00 0.00 H new ATOM 418 N ALA A 103 1.329 -12.752 -1.747 1.00 0.00 N ATOM 419 CA ALA A 103 0.253 -13.694 -2.030 1.00 0.00 C ATOM 420 C ALA A 103 -0.996 -13.367 -1.218 1.00 0.00 C ATOM 421 O ALA A 103 -2.099 -13.299 -1.759 1.00 0.00 O ATOM 422 CB ALA A 103 0.709 -15.117 -1.744 1.00 0.00 C ATOM 0 H ALA A 103 2.181 -13.181 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 103 0.000 -13.608 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.104 -15.810 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.567 -15.357 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.992 -15.205 -0.695 1.00 0.00 H new ATOM 428 N GLU A 104 -0.814 -13.165 0.082 1.00 0.00 N ATOM 429 CA GLU A 104 -1.927 -12.845 0.968 1.00 0.00 C ATOM 430 C GLU A 104 -2.395 -11.408 0.760 1.00 0.00 C ATOM 431 O GLU A 104 -3.594 -11.130 0.747 1.00 0.00 O ATOM 432 CB GLU A 104 -1.520 -13.055 2.427 1.00 0.00 C ATOM 433 CG GLU A 104 -1.403 -14.517 2.822 1.00 0.00 C ATOM 434 CD GLU A 104 -0.684 -14.709 4.143 1.00 0.00 C ATOM 435 OE1 GLU A 104 0.560 -14.592 4.165 1.00 0.00 O1- ATOM 436 OE2 GLU A 104 -1.364 -14.975 5.156 1.00 0.00 O ATOM 0 H GLU A 104 0.093 -13.217 0.546 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.753 -13.514 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.564 -12.562 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.252 -12.570 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.400 -14.952 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.870 -15.059 2.041 1.00 0.00 H new ATOM 443 N LEU A 105 -1.440 -10.496 0.601 1.00 0.00 N ATOM 444 CA LEU A 105 -1.751 -9.085 0.397 1.00 0.00 C ATOM 445 C LEU A 105 -2.629 -8.886 -0.835 1.00 0.00 C ATOM 446 O LEU A 105 -3.485 -8.000 -0.863 1.00 0.00 O ATOM 447 CB LEU A 105 -0.459 -8.275 0.251 1.00 0.00 C ATOM 448 CG LEU A 105 -0.650 -6.788 -0.060 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.598 -6.149 0.944 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.690 -6.069 -0.064 1.00 0.00 C ATOM 0 H LEU A 105 -0.443 -10.710 0.610 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.301 -8.733 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.113 -8.365 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.142 -8.721 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.092 -6.698 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.721 -5.092 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.567 -6.647 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.186 -6.250 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.536 -5.013 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.159 -6.169 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.337 -6.509 -0.823 1.00 0.00 H new ATOM 462 N ARG A 106 -2.408 -9.708 -1.853 1.00 0.00 N ATOM 463 CA ARG A 106 -3.174 -9.616 -3.090 1.00 0.00 C ATOM 464 C ARG A 106 -4.655 -9.892 -2.846 1.00 0.00 C ATOM 465 O ARG A 106 -5.513 -9.112 -3.252 1.00 0.00 O ATOM 466 CB ARG A 106 -2.622 -10.601 -4.123 1.00 0.00 C ATOM 467 CG ARG A 106 -3.352 -10.560 -5.459 1.00 0.00 C ATOM 468 CD ARG A 106 -3.531 -11.953 -6.048 1.00 0.00 C ATOM 469 NE ARG A 106 -2.775 -12.124 -7.288 1.00 0.00 N ATOM 470 CZ ARG A 106 -2.890 -13.180 -8.095 1.00 0.00 C ATOM 471 NH1 ARG A 106 -3.726 -14.170 -7.798 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -2.166 -13.245 -9.203 1.00 0.00 N ATOM 0 H ARG A 106 -1.704 -10.446 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.077 -8.600 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.566 -10.386 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.682 -11.611 -3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.328 -10.093 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.794 -9.938 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.209 -12.698 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.589 -12.132 -6.240 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.118 -11.390 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.286 -14.126 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.807 -14.973 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.523 -12.489 -9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.252 -14.051 -9.822 1.00 0.00 H new ATOM 486 N HIS A 107 -4.946 -11.008 -2.187 1.00 0.00 N ATOM 487 CA HIS A 107 -6.325 -11.393 -1.900 1.00 0.00 C ATOM 488 C HIS A 107 -7.007 -10.388 -0.974 1.00 0.00 C ATOM 489 O HIS A 107 -8.193 -10.095 -1.126 1.00 0.00 O ATOM 490 CB HIS A 107 -6.357 -12.787 -1.269 1.00 0.00 C ATOM 491 CG HIS A 107 -7.740 -13.286 -0.978 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.740 -12.746 -0.243 1.00 0.00 N flip ATOM 493 CD2 HIS A 107 -8.227 -14.481 -1.465 1.00 0.00 C flip ATOM 494 CE1 HIS A 107 -9.801 -13.614 -0.299 1.00 0.00 C flip ATOM 495 NE2 HIS A 107 -9.467 -14.654 -1.043 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.245 -11.663 -1.841 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.872 -11.405 -2.843 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.860 -13.490 -1.937 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.784 -12.769 -0.342 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.680 -15.168 -2.093 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.755 -13.471 0.186 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.064 -15.453 -1.255 1.00 0.00 H new ATOM 504 N VAL A 108 -6.256 -9.873 -0.009 1.00 0.00 N ATOM 505 CA VAL A 108 -6.790 -8.913 0.952 1.00 0.00 C ATOM 506 C VAL A 108 -7.276 -7.634 0.272 1.00 0.00 C ATOM 507 O VAL A 108 -8.464 -7.310 0.310 1.00 0.00 O ATOM 508 CB VAL A 108 -5.734 -8.543 2.015 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.345 -7.674 3.105 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.105 -9.798 2.609 1.00 0.00 C ATOM 0 H VAL A 108 -5.272 -10.104 0.130 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.639 -9.399 1.433 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.947 -7.968 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.582 -7.426 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.735 -6.757 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.156 -8.216 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.363 -9.515 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.879 -10.406 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.622 -10.372 1.818 1.00 0.00 H new ATOM 520 N MET A 109 -6.346 -6.899 -0.326 1.00 0.00 N ATOM 521 CA MET A 109 -6.669 -5.639 -0.987 1.00 0.00 C ATOM 522 C MET A 109 -7.677 -5.824 -2.126 1.00 0.00 C ATOM 523 O MET A 109 -8.655 -5.081 -2.219 1.00 0.00 O ATOM 524 CB MET A 109 -5.388 -4.977 -1.501 1.00 0.00 C ATOM 525 CG MET A 109 -5.064 -3.669 -0.792 1.00 0.00 C ATOM 526 SD MET A 109 -3.576 -3.763 0.226 1.00 0.00 S ATOM 527 CE MET A 109 -4.289 -3.964 1.858 1.00 0.00 C ATOM 0 H MET A 109 -5.359 -7.154 -0.367 1.00 0.00 H new ATOM 0 HA MET A 109 -7.140 -4.989 -0.250 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.554 -5.667 -1.375 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.487 -4.789 -2.570 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.939 -2.881 -1.535 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.909 -3.384 -0.165 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.523 -4.317 2.549 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.678 -3.007 2.206 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.100 -4.691 1.814 1.00 0.00 H new ATOM 537 N THR A 110 -7.438 -6.802 -2.994 1.00 0.00 N ATOM 538 CA THR A 110 -8.338 -7.052 -4.119 1.00 0.00 C ATOM 539 C THR A 110 -9.742 -7.395 -3.640 1.00 0.00 C ATOM 540 O THR A 110 -10.731 -6.954 -4.224 1.00 0.00 O ATOM 541 CB THR A 110 -7.795 -8.174 -5.001 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.744 -9.397 -4.287 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.408 -7.890 -5.535 1.00 0.00 C ATOM 0 H THR A 110 -6.636 -7.431 -2.943 1.00 0.00 H new ATOM 0 HA THR A 110 -8.395 -6.136 -4.707 1.00 0.00 H new ATOM 0 HB THR A 110 -8.485 -8.243 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.115 -9.314 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.079 -8.724 -6.154 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.428 -6.980 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.717 -7.761 -4.702 1.00 0.00 H new ATOM 551 N ASN A 111 -9.826 -8.183 -2.577 1.00 0.00 N ATOM 552 CA ASN A 111 -11.115 -8.581 -2.027 1.00 0.00 C ATOM 553 C ASN A 111 -11.816 -7.412 -1.330 1.00 0.00 C ATOM 554 O ASN A 111 -13.018 -7.473 -1.072 1.00 0.00 O ATOM 555 CB ASN A 111 -10.938 -9.740 -1.043 1.00 0.00 C ATOM 556 CG ASN A 111 -12.263 -10.326 -0.594 1.00 0.00 C ATOM 557 OD1 ASN A 111 -13.243 -10.313 -1.338 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.299 -10.842 0.629 1.00 0.00 N ATOM 0 H ASN A 111 -9.019 -8.559 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.741 -8.904 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.338 -10.521 -1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.384 -9.391 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.164 -11.249 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.462 -10.831 1.212 1.00 0.00 H new ATOM 565 N LEU A 112 -11.067 -6.355 -1.012 1.00 0.00 N ATOM 566 CA LEU A 112 -11.642 -5.198 -0.329 1.00 0.00 C ATOM 567 C LEU A 112 -11.594 -3.931 -1.186 1.00 0.00 C ATOM 568 O LEU A 112 -11.150 -3.947 -2.349 1.00 0.00 O ATOM 569 CB LEU A 112 -10.911 -4.958 0.989 1.00 0.00 C ATOM 570 CG LEU A 112 -9.423 -4.657 0.844 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.199 -3.171 0.625 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.663 -5.148 2.066 1.00 0.00 C ATOM 0 H LEU A 112 -10.070 -6.277 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.692 -5.423 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.388 -4.126 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.030 -5.838 1.621 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.043 -5.187 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.132 -2.975 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.714 -2.855 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.591 -2.615 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.602 -4.926 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.042 -4.646 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.799 -6.224 2.171 1.00 0.00 H new ATOM 584 N GLY A 113 -12.069 -2.832 -0.589 1.00 0.00 N ATOM 585 CA GLY A 113 -12.105 -1.553 -1.271 1.00 0.00 C ATOM 586 C GLY A 113 -13.064 -1.577 -2.435 1.00 0.00 C ATOM 587 O GLY A 113 -14.194 -2.047 -2.306 1.00 0.00 O ATOM 0 H GLY A 113 -12.431 -2.812 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.401 -0.773 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.106 -1.300 -1.626 1.00 0.00 H new ATOM 591 N GLU A 114 -12.609 -1.103 -3.583 1.00 0.00 N ATOM 592 CA GLU A 114 -13.434 -1.110 -4.780 1.00 0.00 C ATOM 593 C GLU A 114 -13.040 -2.297 -5.648 1.00 0.00 C ATOM 594 O GLU A 114 -12.946 -2.189 -6.870 1.00 0.00 O ATOM 595 CB GLU A 114 -13.270 0.197 -5.559 1.00 0.00 C ATOM 596 CG GLU A 114 -11.827 0.657 -5.682 1.00 0.00 C ATOM 597 CD GLU A 114 -11.628 1.653 -6.806 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.592 2.376 -7.136 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.509 1.711 -7.358 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.677 -0.710 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.482 -1.199 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.688 0.070 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.851 0.978 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.512 1.108 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.186 -0.209 -5.851 1.00 0.00 H new ATOM 606 N LYS A 115 -12.785 -3.430 -4.992 1.00 0.00 N ATOM 607 CA LYS A 115 -12.370 -4.638 -5.683 1.00 0.00 C ATOM 608 C LYS A 115 -11.047 -4.389 -6.395 1.00 0.00 C ATOM 609 O LYS A 115 -10.970 -4.432 -7.624 1.00 0.00 O ATOM 610 CB LYS A 115 -13.444 -5.082 -6.678 1.00 0.00 C ATOM 611 CG LYS A 115 -14.760 -5.471 -6.022 1.00 0.00 C ATOM 612 CD LYS A 115 -14.563 -6.552 -4.968 1.00 0.00 C ATOM 613 CE LYS A 115 -15.883 -6.976 -4.339 1.00 0.00 C ATOM 614 NZ LYS A 115 -15.897 -6.742 -2.869 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.861 -3.530 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.235 -5.438 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.626 -4.275 -7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.068 -5.930 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.212 -4.592 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.455 -5.826 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.082 -7.418 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.892 -6.185 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.700 -6.423 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.058 -8.033 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.812 -7.043 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.133 -7.289 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.755 -5.730 -2.677 1.00 0.00 H new ATOM 628 N LEU A 116 -10.001 -4.102 -5.609 1.00 0.00 N ATOM 629 CA LEU A 116 -8.670 -3.818 -6.170 1.00 0.00 C ATOM 630 C LEU A 116 -8.286 -4.816 -7.268 1.00 0.00 C ATOM 631 O LEU A 116 -8.259 -6.025 -7.044 1.00 0.00 O ATOM 632 CB LEU A 116 -7.607 -3.814 -5.070 1.00 0.00 C ATOM 633 CG LEU A 116 -6.580 -2.685 -5.169 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.596 -2.763 -4.017 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.846 -2.747 -6.500 1.00 0.00 C ATOM 0 H LEU A 116 -10.048 -4.060 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.719 -2.827 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.106 -3.747 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.080 -4.768 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.107 -1.733 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.872 -1.953 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.133 -2.672 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.075 -3.720 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.119 -1.936 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.330 -3.703 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.562 -2.646 -7.315 1.00 0.00 H new ATOM 647 N THR A 117 -8.001 -4.289 -8.458 1.00 0.00 N ATOM 648 CA THR A 117 -7.631 -5.115 -9.603 1.00 0.00 C ATOM 649 C THR A 117 -6.440 -6.016 -9.288 1.00 0.00 C ATOM 650 O THR A 117 -5.537 -5.634 -8.543 1.00 0.00 O ATOM 651 CB THR A 117 -7.308 -4.230 -10.808 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.460 -3.160 -10.430 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.537 -3.634 -11.460 1.00 0.00 C ATOM 0 H THR A 117 -8.020 -3.288 -8.653 1.00 0.00 H new ATOM 0 HA THR A 117 -8.482 -5.754 -9.837 1.00 0.00 H new ATOM 0 HB THR A 117 -6.819 -4.887 -11.527 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.392 -2.520 -11.169 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.237 -3.018 -12.307 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.189 -4.435 -11.807 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.071 -3.019 -10.736 1.00 0.00 H new ATOM 661 N ASP A 118 -6.450 -7.214 -9.865 1.00 0.00 N ATOM 662 CA ASP A 118 -5.377 -8.178 -9.657 1.00 0.00 C ATOM 663 C ASP A 118 -4.083 -7.716 -10.325 1.00 0.00 C ATOM 664 O ASP A 118 -2.987 -8.041 -9.868 1.00 0.00 O ATOM 665 CB ASP A 118 -5.784 -9.546 -10.206 1.00 0.00 C ATOM 666 CG ASP A 118 -4.790 -10.633 -9.849 1.00 0.00 C ATOM 667 OD1 ASP A 118 -4.631 -10.921 -8.644 1.00 0.00 O ATOM 668 OD2 ASP A 118 -4.169 -11.197 -10.775 1.00 0.00 O1- ATOM 0 H ASP A 118 -7.193 -7.540 -10.483 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.199 -8.257 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.766 -9.813 -9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.878 -9.486 -11.290 1.00 0.00 H new ATOM 673 N ASP A 119 -4.218 -6.962 -11.412 1.00 0.00 N ATOM 674 CA ASP A 119 -3.060 -6.463 -12.147 1.00 0.00 C ATOM 675 C ASP A 119 -2.335 -5.370 -11.365 1.00 0.00 C ATOM 676 O ASP A 119 -1.113 -5.398 -11.229 1.00 0.00 O ATOM 677 CB ASP A 119 -3.493 -5.924 -13.511 1.00 0.00 C ATOM 678 CG ASP A 119 -2.395 -6.036 -14.552 1.00 0.00 C ATOM 679 OD1 ASP A 119 -1.217 -6.170 -14.160 1.00 0.00 O1- ATOM 680 OD2 ASP A 119 -2.715 -5.990 -15.759 1.00 0.00 O ATOM 0 H ASP A 119 -5.118 -6.683 -11.803 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.370 -7.295 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -4.371 -6.472 -13.853 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -3.788 -4.880 -13.409 1.00 0.00 H new ATOM 685 N GLU A 120 -3.096 -4.406 -10.857 1.00 0.00 N ATOM 686 CA GLU A 120 -2.523 -3.301 -10.095 1.00 0.00 C ATOM 687 C GLU A 120 -1.783 -3.807 -8.860 1.00 0.00 C ATOM 688 O GLU A 120 -0.690 -3.334 -8.541 1.00 0.00 O ATOM 689 CB GLU A 120 -3.621 -2.320 -9.677 1.00 0.00 C ATOM 690 CG GLU A 120 -3.099 -0.936 -9.328 1.00 0.00 C ATOM 691 CD GLU A 120 -4.027 0.171 -9.790 1.00 0.00 C ATOM 692 OE1 GLU A 120 -4.036 0.470 -11.003 1.00 0.00 O ATOM 693 OE2 GLU A 120 -4.744 0.737 -8.940 1.00 0.00 O1- ATOM 0 H GLU A 120 -4.110 -4.367 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.807 -2.788 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.346 -2.232 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.152 -2.727 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.963 -0.864 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.118 -0.796 -9.783 1.00 0.00 H new ATOM 700 N VAL A 121 -2.384 -4.768 -8.165 1.00 0.00 N ATOM 701 CA VAL A 121 -1.781 -5.329 -6.965 1.00 0.00 C ATOM 702 C VAL A 121 -0.488 -6.071 -7.293 1.00 0.00 C ATOM 703 O VAL A 121 0.443 -6.091 -6.490 1.00 0.00 O ATOM 704 CB VAL A 121 -2.754 -6.284 -6.240 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.150 -7.435 -7.150 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.149 -6.797 -4.935 1.00 0.00 C ATOM 0 H VAL A 121 -3.287 -5.173 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.552 -4.494 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.655 -5.725 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.836 -8.097 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.639 -7.042 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.259 -7.992 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.855 -7.467 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.226 -7.336 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.933 -5.954 -4.278 1.00 0.00 H new ATOM 716 N ASP A 122 -0.438 -6.678 -8.473 1.00 0.00 N ATOM 717 CA ASP A 122 0.742 -7.421 -8.902 1.00 0.00 C ATOM 718 C ASP A 122 1.944 -6.497 -9.080 1.00 0.00 C ATOM 719 O ASP A 122 3.081 -6.877 -8.794 1.00 0.00 O ATOM 720 CB ASP A 122 0.455 -8.158 -10.212 1.00 0.00 C ATOM 721 CG ASP A 122 -0.462 -9.350 -10.017 1.00 0.00 C ATOM 722 OD1 ASP A 122 -0.371 -10.001 -8.953 1.00 0.00 O1- ATOM 723 OD2 ASP A 122 -1.269 -9.634 -10.926 1.00 0.00 O ATOM 0 H ASP A 122 -1.201 -6.671 -9.150 1.00 0.00 H new ATOM 0 HA ASP A 122 0.981 -8.146 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 122 0.002 -7.467 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.395 -8.494 -10.650 1.00 0.00 H new ATOM 728 N GLU A 123 1.687 -5.286 -9.560 1.00 0.00 N ATOM 729 CA GLU A 123 2.747 -4.310 -9.787 1.00 0.00 C ATOM 730 C GLU A 123 3.346 -3.818 -8.471 1.00 0.00 C ATOM 731 O GLU A 123 4.565 -3.816 -8.295 1.00 0.00 O ATOM 732 CB GLU A 123 2.208 -3.128 -10.600 1.00 0.00 C ATOM 733 CG GLU A 123 3.037 -2.810 -11.833 1.00 0.00 C ATOM 734 CD GLU A 123 4.444 -2.361 -11.489 1.00 0.00 C ATOM 735 OE1 GLU A 123 5.064 -2.980 -10.599 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 4.926 -1.390 -12.110 1.00 0.00 O ATOM 0 H GLU A 123 0.752 -4.956 -9.800 1.00 0.00 H new ATOM 0 HA GLU A 123 3.541 -4.801 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.185 -3.345 -10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.169 -2.246 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.087 -3.693 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.541 -2.029 -12.409 1.00 0.00 H new ATOM 743 N MET A 124 2.485 -3.390 -7.554 1.00 0.00 N ATOM 744 CA MET A 124 2.935 -2.883 -6.260 1.00 0.00 C ATOM 745 C MET A 124 3.708 -3.942 -5.478 1.00 0.00 C ATOM 746 O MET A 124 4.793 -3.672 -4.962 1.00 0.00 O ATOM 747 CB MET A 124 1.742 -2.395 -5.441 1.00 0.00 C ATOM 748 CG MET A 124 0.683 -3.458 -5.216 1.00 0.00 C ATOM 749 SD MET A 124 -0.792 -2.806 -4.412 1.00 0.00 S ATOM 750 CE MET A 124 -0.907 -3.885 -2.987 1.00 0.00 C ATOM 0 H MET A 124 1.473 -3.383 -7.681 1.00 0.00 H new ATOM 0 HA MET A 124 3.610 -2.048 -6.448 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.097 -2.038 -4.474 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.288 -1.544 -5.948 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.406 -3.898 -6.174 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.101 -4.259 -4.606 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.908 -3.818 -2.560 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.710 -4.913 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.173 -3.581 -2.241 1.00 0.00 H new ATOM 760 N ILE A 125 3.145 -5.142 -5.384 1.00 0.00 N ATOM 761 CA ILE A 125 3.787 -6.230 -4.652 1.00 0.00 C ATOM 762 C ILE A 125 5.134 -6.605 -5.270 1.00 0.00 C ATOM 763 O ILE A 125 6.027 -7.096 -4.580 1.00 0.00 O ATOM 764 CB ILE A 125 2.881 -7.481 -4.588 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.670 -8.076 -5.989 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.548 -7.127 -3.939 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.706 -9.245 -6.023 1.00 0.00 C ATOM 0 H ILE A 125 2.248 -5.386 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 125 3.957 -5.867 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 125 3.374 -8.238 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.301 -7.294 -6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.633 -8.401 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.916 -8.014 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.722 -6.759 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.051 -6.355 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.611 -9.609 -7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.083 -10.046 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.730 -8.922 -5.660 1.00 0.00 H new ATOM 779 N ARG A 126 5.272 -6.375 -6.572 1.00 0.00 N ATOM 780 CA ARG A 126 6.509 -6.695 -7.279 1.00 0.00 C ATOM 781 C ARG A 126 7.602 -5.682 -6.955 1.00 0.00 C ATOM 782 O ARG A 126 8.768 -6.043 -6.788 1.00 0.00 O ATOM 783 CB ARG A 126 6.263 -6.731 -8.788 1.00 0.00 C ATOM 784 CG ARG A 126 5.813 -8.091 -9.298 1.00 0.00 C ATOM 785 CD ARG A 126 6.866 -9.157 -9.047 1.00 0.00 C ATOM 786 NE ARG A 126 6.589 -10.388 -9.785 1.00 0.00 N ATOM 787 CZ ARG A 126 6.882 -10.570 -11.073 1.00 0.00 C ATOM 788 NH1 ARG A 126 7.462 -9.604 -11.778 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 6.593 -11.723 -11.659 1.00 0.00 N ATOM 0 H ARG A 126 4.544 -5.969 -7.159 1.00 0.00 H new ATOM 0 HA ARG A 126 6.842 -7.678 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.507 -5.988 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.179 -6.443 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.882 -8.375 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.604 -8.029 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.845 -8.774 -9.336 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.912 -9.377 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 126 6.144 -11.156 -9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.687 -8.714 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 126 7.682 -9.753 -12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.147 -12.469 -11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.816 -11.864 -12.644 1.00 0.00 H new ATOM 803 N GLU A 127 7.219 -4.413 -6.873 1.00 0.00 N ATOM 804 CA GLU A 127 8.168 -3.346 -6.573 1.00 0.00 C ATOM 805 C GLU A 127 8.299 -3.100 -5.067 1.00 0.00 C ATOM 806 O GLU A 127 9.121 -2.289 -4.641 1.00 0.00 O ATOM 807 CB GLU A 127 7.740 -2.054 -7.272 1.00 0.00 C ATOM 808 CG GLU A 127 8.899 -1.128 -7.602 1.00 0.00 C ATOM 809 CD GLU A 127 9.782 -1.667 -8.711 1.00 0.00 C ATOM 810 OE1 GLU A 127 9.711 -2.883 -8.988 1.00 0.00 O ATOM 811 OE2 GLU A 127 10.544 -0.873 -9.302 1.00 0.00 O1- ATOM 0 H GLU A 127 6.259 -4.097 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 127 9.143 -3.662 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.214 -2.306 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.032 -1.524 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.508 -0.154 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.501 -0.973 -6.707 1.00 0.00 H new ATOM 818 N ALA A 128 7.490 -3.787 -4.260 1.00 0.00 N ATOM 819 CA ALA A 128 7.539 -3.613 -2.813 1.00 0.00 C ATOM 820 C ALA A 128 8.812 -4.209 -2.223 1.00 0.00 C ATOM 821 O ALA A 128 9.525 -3.548 -1.468 1.00 0.00 O ATOM 822 CB ALA A 128 6.312 -4.237 -2.166 1.00 0.00 C ATOM 0 H ALA A 128 6.799 -4.464 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 128 7.545 -2.543 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.361 -4.100 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.413 -3.757 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.281 -5.302 -2.396 1.00 0.00 H new ATOM 828 N ASP A 129 9.097 -5.461 -2.572 1.00 0.00 N ATOM 829 CA ASP A 129 10.288 -6.147 -2.077 1.00 0.00 C ATOM 830 C ASP A 129 10.351 -7.577 -2.605 1.00 0.00 C ATOM 831 O ASP A 129 11.166 -7.894 -3.471 1.00 0.00 O ATOM 832 CB ASP A 129 10.312 -6.151 -0.541 1.00 0.00 C ATOM 833 CG ASP A 129 11.656 -5.724 0.016 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.650 -6.444 -0.213 1.00 0.00 O ATOM 835 OD2 ASP A 129 11.715 -4.668 0.681 1.00 0.00 O1- ATOM 0 H ASP A 129 8.518 -6.022 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 129 11.162 -5.605 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.537 -5.482 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.073 -7.151 -0.179 1.00 0.00 H new ATOM 915 N ILE A 136 7.498 -8.836 2.792 1.00 0.00 N ATOM 916 CA ILE A 136 7.629 -7.574 2.072 1.00 0.00 C ATOM 917 C ILE A 136 7.533 -6.383 3.018 1.00 0.00 C ATOM 918 O ILE A 136 6.438 -5.977 3.409 1.00 0.00 O ATOM 919 CB ILE A 136 6.547 -7.423 0.984 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.402 -8.719 0.182 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.883 -6.258 0.064 1.00 0.00 C ATOM 922 CD1 ILE A 136 5.181 -8.744 -0.711 1.00 0.00 C ATOM 0 HA ILE A 136 8.612 -7.591 1.602 1.00 0.00 H new ATOM 0 HB ILE A 136 5.594 -7.217 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.293 -8.859 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.354 -9.561 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.111 -6.163 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.933 -5.338 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.846 -6.438 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.143 -9.691 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.283 -8.635 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.236 -7.923 -1.426 1.00 0.00 H new ATOM 934 N ASN A 137 8.681 -5.819 3.375 1.00 0.00 N ATOM 935 CA ASN A 137 8.714 -4.666 4.266 1.00 0.00 C ATOM 936 C ASN A 137 8.060 -3.465 3.593 1.00 0.00 C ATOM 937 O ASN A 137 8.371 -3.141 2.447 1.00 0.00 O ATOM 938 CB ASN A 137 10.155 -4.332 4.653 1.00 0.00 C ATOM 939 CG ASN A 137 10.272 -3.848 6.085 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.661 -4.411 6.994 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.060 -2.800 6.293 1.00 0.00 N ATOM 0 H ASN A 137 9.597 -6.140 3.063 1.00 0.00 H new ATOM 0 HA ASN A 137 8.158 -4.910 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.778 -5.216 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.540 -3.565 3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.178 -2.430 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.547 -2.365 5.510 1.00 0.00 H new ATOM 948 N TYR A 138 7.148 -2.809 4.304 1.00 0.00 N ATOM 949 CA TYR A 138 6.452 -1.649 3.752 1.00 0.00 C ATOM 950 C TYR A 138 7.247 -0.352 3.932 1.00 0.00 C ATOM 951 O TYR A 138 6.727 0.730 3.665 1.00 0.00 O ATOM 952 CB TYR A 138 5.065 -1.497 4.377 1.00 0.00 C ATOM 953 CG TYR A 138 5.050 -1.666 5.876 1.00 0.00 C ATOM 954 CD1 TYR A 138 5.604 -0.705 6.708 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.481 -2.790 6.454 1.00 0.00 C ATOM 956 CE1 TYR A 138 5.591 -0.860 8.079 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.463 -2.953 7.823 1.00 0.00 C ATOM 958 CZ TYR A 138 5.020 -1.985 8.633 1.00 0.00 C ATOM 959 OH TYR A 138 5.004 -2.145 10.000 1.00 0.00 O ATOM 0 H TYR A 138 6.875 -3.057 5.255 1.00 0.00 H new ATOM 0 HA TYR A 138 6.348 -1.829 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.671 -0.512 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.394 -2.231 3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.052 0.178 6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.045 -3.550 5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.026 -0.103 8.715 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.015 -3.834 8.259 1.00 0.00 H new ATOM 0 HH TYR A 138 4.215 -2.665 10.259 1.00 0.00 H new ATOM 969 N GLU A 139 8.503 -0.455 4.369 1.00 0.00 N ATOM 970 CA GLU A 139 9.342 0.725 4.558 1.00 0.00 C ATOM 971 C GLU A 139 10.089 1.053 3.269 1.00 0.00 C ATOM 972 O GLU A 139 10.237 2.218 2.902 1.00 0.00 O ATOM 973 CB GLU A 139 10.334 0.499 5.700 1.00 0.00 C ATOM 974 CG GLU A 139 9.774 0.847 7.069 1.00 0.00 C ATOM 975 CD GLU A 139 9.385 2.307 7.186 1.00 0.00 C ATOM 976 OE1 GLU A 139 8.266 2.659 6.756 1.00 0.00 O ATOM 977 OE2 GLU A 139 10.197 3.099 7.706 1.00 0.00 O1- ATOM 0 H GLU A 139 8.958 -1.339 4.597 1.00 0.00 H new ATOM 0 HA GLU A 139 8.701 1.568 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.645 -0.546 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.227 1.098 5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 139 8.901 0.225 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.516 0.610 7.832 1.00 0.00 H new ATOM 984 N GLU A 140 10.541 0.012 2.580 1.00 0.00 N ATOM 985 CA GLU A 140 11.253 0.179 1.321 1.00 0.00 C ATOM 986 C GLU A 140 10.260 0.490 0.210 1.00 0.00 C ATOM 987 O GLU A 140 10.526 1.309 -0.670 1.00 0.00 O ATOM 988 CB GLU A 140 12.045 -1.084 0.979 1.00 0.00 C ATOM 989 CG GLU A 140 13.348 -0.807 0.246 1.00 0.00 C ATOM 990 CD GLU A 140 13.869 -2.022 -0.497 1.00 0.00 C ATOM 991 OE1 GLU A 140 13.055 -2.722 -1.135 1.00 0.00 O1- ATOM 992 OE2 GLU A 140 15.091 -2.273 -0.441 1.00 0.00 O ATOM 0 H GLU A 140 10.426 -0.958 2.874 1.00 0.00 H new ATOM 0 HA GLU A 140 11.955 1.007 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 140 12.264 -1.626 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.424 -1.737 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.197 0.009 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 140 14.099 -0.474 0.962 1.00 0.00 H new ATOM 999 N PHE A 141 9.107 -0.168 0.276 1.00 0.00 N ATOM 1000 CA PHE A 141 8.048 0.026 -0.703 1.00 0.00 C ATOM 1001 C PHE A 141 7.480 1.439 -0.589 1.00 0.00 C ATOM 1002 O PHE A 141 7.284 2.122 -1.593 1.00 0.00 O ATOM 1003 CB PHE A 141 6.952 -1.024 -0.490 1.00 0.00 C ATOM 1004 CG PHE A 141 5.723 -0.826 -1.332 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.808 -0.739 -2.714 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.479 -0.730 -0.736 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.673 -0.559 -3.480 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.343 -0.550 -1.494 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.438 -0.463 -2.870 1.00 0.00 C ATOM 0 H PHE A 141 8.883 -0.846 1.005 1.00 0.00 H new ATOM 0 HA PHE A 141 8.455 -0.095 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.366 -2.010 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.661 -1.019 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.772 -0.813 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.397 -0.797 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.751 -0.493 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.379 -0.477 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.549 -0.320 -3.466 1.00 0.00 H new ATOM 1019 N VAL A 142 7.232 1.876 0.644 1.00 0.00 N ATOM 1020 CA VAL A 142 6.706 3.215 0.875 1.00 0.00 C ATOM 1021 C VAL A 142 7.755 4.262 0.515 1.00 0.00 C ATOM 1022 O VAL A 142 7.434 5.325 -0.014 1.00 0.00 O ATOM 1023 CB VAL A 142 6.262 3.414 2.344 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.448 3.334 3.297 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.533 4.740 2.504 1.00 0.00 C ATOM 0 H VAL A 142 7.386 1.327 1.490 1.00 0.00 H new ATOM 0 HA VAL A 142 5.830 3.334 0.237 1.00 0.00 H new ATOM 0 HB VAL A 142 5.576 2.606 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.102 3.478 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.921 2.356 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.170 4.111 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.228 4.864 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.197 5.557 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.651 4.750 1.863 1.00 0.00 H new ATOM 1035 N ARG A 143 9.017 3.945 0.805 1.00 0.00 N ATOM 1036 CA ARG A 143 10.117 4.851 0.512 1.00 0.00 C ATOM 1037 C ARG A 143 10.230 5.096 -0.987 1.00 0.00 C ATOM 1038 O ARG A 143 10.296 6.238 -1.434 1.00 0.00 O ATOM 1039 CB ARG A 143 11.433 4.283 1.049 1.00 0.00 C ATOM 1040 CG ARG A 143 11.702 4.639 2.503 1.00 0.00 C ATOM 1041 CD ARG A 143 12.588 3.606 3.183 1.00 0.00 C ATOM 1042 NE ARG A 143 13.901 4.150 3.526 1.00 0.00 N ATOM 1043 CZ ARG A 143 14.906 4.278 2.659 1.00 0.00 C ATOM 1044 NH1 ARG A 143 14.760 3.903 1.393 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 16.064 4.784 3.062 1.00 0.00 N ATOM 0 H ARG A 143 9.298 3.067 1.242 1.00 0.00 H new ATOM 0 HA ARG A 143 9.914 5.802 1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.420 3.198 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 143 12.255 4.651 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 143 12.179 5.618 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 143 10.756 4.716 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.097 3.247 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 143 12.713 2.746 2.525 1.00 0.00 H new ATOM 0 HE ARG A 143 14.058 4.450 4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 143 13.873 3.513 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 143 15.535 4.005 0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 143 16.184 5.074 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 143 16.835 4.883 2.401 1.00 0.00 H new ATOM 1059 N MET A 144 10.252 4.014 -1.760 1.00 0.00 N ATOM 1060 CA MET A 144 10.358 4.113 -3.209 1.00 0.00 C ATOM 1061 C MET A 144 9.080 4.690 -3.813 1.00 0.00 C ATOM 1062 O MET A 144 9.122 5.373 -4.836 1.00 0.00 O ATOM 1063 CB MET A 144 10.664 2.739 -3.815 1.00 0.00 C ATOM 1064 CG MET A 144 9.625 1.670 -3.495 1.00 0.00 C ATOM 1065 SD MET A 144 8.176 1.743 -4.568 1.00 0.00 S ATOM 1066 CE MET A 144 8.950 1.736 -6.179 1.00 0.00 C ATOM 0 H MET A 144 10.198 3.059 -1.405 1.00 0.00 H new ATOM 0 HA MET A 144 11.179 4.791 -3.445 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.743 2.841 -4.897 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.637 2.404 -3.455 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.086 0.686 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.307 1.780 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.220 1.441 -6.932 1.00 0.00 H new ATOM 0 HE2 MET A 144 9.324 2.734 -6.407 1.00 0.00 H new ATOM 0 HE3 MET A 144 9.779 1.029 -6.181 1.00 0.00 H new ATOM 1076 N MET A 145 7.945 4.413 -3.175 1.00 0.00 N ATOM 1077 CA MET A 145 6.658 4.910 -3.653 1.00 0.00 C ATOM 1078 C MET A 145 6.661 6.433 -3.739 1.00 0.00 C ATOM 1079 O MET A 145 6.092 7.016 -4.660 1.00 0.00 O ATOM 1080 CB MET A 145 5.530 4.442 -2.730 1.00 0.00 C ATOM 1081 CG MET A 145 4.148 4.865 -3.196 1.00 0.00 C ATOM 1082 SD MET A 145 2.857 4.458 -2.005 1.00 0.00 S ATOM 1083 CE MET A 145 2.686 2.696 -2.280 1.00 0.00 C ATOM 0 H MET A 145 7.891 3.848 -2.327 1.00 0.00 H new ATOM 0 HA MET A 145 6.490 4.507 -4.652 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.562 3.355 -2.654 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.703 4.837 -1.729 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.143 5.940 -3.377 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.925 4.380 -4.147 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.699 2.370 -1.951 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.804 2.480 -3.342 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.451 2.164 -1.715 1.00 0.00 H new ATOM 1093 N VAL A 146 7.314 7.067 -2.771 1.00 0.00 N ATOM 1094 CA VAL A 146 7.403 8.522 -2.732 1.00 0.00 C ATOM 1095 C VAL A 146 8.770 9.005 -3.219 1.00 0.00 C ATOM 1096 O VAL A 146 8.907 10.133 -3.692 1.00 0.00 O ATOM 1097 CB VAL A 146 7.150 9.061 -1.310 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.740 8.720 -0.855 1.00 0.00 C ATOM 1099 CG2 VAL A 146 8.181 8.511 -0.334 1.00 0.00 C ATOM 0 H VAL A 146 7.790 6.595 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 146 6.631 8.906 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 146 7.250 10.146 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.578 9.108 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 146 5.019 9.169 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.611 7.638 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.984 8.904 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.119 7.423 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 146 9.179 8.812 -0.652 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.412 -4.109 9.499 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.433 -4.487 8.486 1.00 0.00 C ATOM 1233 C GLU B1905 -8.800 -3.894 7.129 1.00 0.00 C ATOM 1234 O GLU B1905 -7.933 -3.430 6.388 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.337 -6.012 8.383 1.00 0.00 C ATOM 1236 CG GLU B1905 -7.207 -6.607 9.207 1.00 0.00 C ATOM 1237 CD GLU B1905 -6.479 -7.720 8.480 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -6.293 -7.605 7.250 1.00 0.00 O1- ATOM 1239 OE2 GLU B1905 -6.095 -8.709 9.141 1.00 0.00 O ATOM 0 HA GLU B1905 -7.463 -4.090 8.785 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.281 -6.450 8.707 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.199 -6.289 7.338 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -6.497 -5.821 9.464 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -7.609 -6.992 10.144 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.089 -3.915 6.809 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.568 -3.380 5.541 1.00 0.00 C ATOM 1248 C GLU B1906 -10.322 -1.878 5.456 1.00 0.00 C ATOM 1249 O GLU B1906 -9.680 -1.401 4.520 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.056 -3.682 5.362 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.431 -5.114 5.712 1.00 0.00 C ATOM 1252 CD GLU B1906 -13.441 -5.200 6.840 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -13.487 -4.266 7.667 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -14.187 -6.200 6.895 1.00 0.00 O1- ATOM 0 H GLU B1906 -10.820 -4.296 7.410 1.00 0.00 H new ATOM 0 HA GLU B1906 -10.012 -3.864 4.738 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.634 -3.001 5.986 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.337 -3.484 4.328 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.839 -5.604 4.828 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -11.532 -5.661 5.994 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.832 -1.133 6.443 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.668 0.326 6.485 1.00 0.00 C ATOM 1263 C VAL B1907 -9.223 0.738 6.195 1.00 0.00 C ATOM 1264 O VAL B1907 -8.960 1.533 5.288 1.00 0.00 O ATOM 1265 CB VAL B1907 -11.085 0.897 7.855 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -11.086 2.418 7.825 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -12.452 0.365 8.260 1.00 0.00 C ATOM 0 H VAL B1907 -11.363 -1.516 7.225 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.317 0.735 5.711 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.357 0.573 8.599 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -11.383 2.801 8.801 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -10.086 2.778 7.583 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.790 2.767 7.069 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -12.731 0.778 9.229 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -13.192 0.657 7.515 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -12.414 -0.722 8.326 1.00 0.00 H new ATOM 1277 N SER B1908 -8.289 0.172 6.956 1.00 0.00 N ATOM 1278 CA SER B1908 -6.871 0.460 6.766 1.00 0.00 C ATOM 1279 C SER B1908 -6.456 0.133 5.334 1.00 0.00 C ATOM 1280 O SER B1908 -5.568 0.772 4.768 1.00 0.00 O ATOM 1281 CB SER B1908 -6.026 -0.349 7.752 1.00 0.00 C ATOM 1282 OG SER B1908 -5.775 0.390 8.936 1.00 0.00 O ATOM 0 H SER B1908 -8.489 -0.487 7.708 1.00 0.00 H new ATOM 0 HA SER B1908 -6.705 1.521 6.951 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.541 -1.277 8.001 1.00 0.00 H new ATOM 0 HB3 SER B1908 -5.081 -0.625 7.285 1.00 0.00 H new ATOM 0 HG SER B1908 -6.423 0.134 9.625 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.124 -0.858 4.750 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.853 -1.267 3.383 1.00 0.00 C ATOM 1290 C ALA B1909 -7.438 -0.268 2.382 1.00 0.00 C ATOM 1291 O ALA B1909 -7.009 -0.214 1.229 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.407 -2.660 3.139 1.00 0.00 C ATOM 0 H ALA B1909 -7.861 -1.393 5.209 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.773 -1.287 3.237 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.200 -2.959 2.112 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.935 -3.364 3.824 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.484 -2.658 3.306 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.410 0.531 2.828 1.00 0.00 N ATOM 1299 CA ILE B1910 -9.023 1.529 1.961 1.00 0.00 C ATOM 1300 C ILE B1910 -8.050 2.673 1.709 1.00 0.00 C ATOM 1301 O ILE B1910 -7.791 3.042 0.562 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.322 2.101 2.568 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.256 0.970 2.999 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -11.015 3.015 1.566 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -12.560 1.455 3.598 1.00 0.00 C ATOM 0 H ILE B1910 -8.784 0.504 3.777 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.272 1.031 1.024 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.064 2.686 3.451 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.474 0.341 2.136 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -10.742 0.343 3.728 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.930 3.411 2.007 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.351 3.839 1.305 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.261 2.449 0.667 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -13.172 0.598 3.880 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.352 2.059 4.481 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -13.096 2.057 2.864 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.508 3.230 2.789 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.558 4.328 2.675 1.00 0.00 C ATOM 1319 C VAL B1911 -5.317 3.892 1.903 1.00 0.00 C ATOM 1320 O VAL B1911 -4.835 4.612 1.031 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.135 4.869 4.059 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.478 3.777 4.888 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.204 6.066 3.907 1.00 0.00 C ATOM 0 H VAL B1911 -7.710 2.940 3.746 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.063 5.128 2.133 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.032 5.199 4.584 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.189 4.181 5.858 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.181 2.957 5.032 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.593 3.409 4.369 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.918 6.432 4.893 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.311 5.765 3.358 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.716 6.858 3.361 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.802 2.709 2.229 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.618 2.193 1.557 1.00 0.00 C ATOM 1335 C ILE B1912 -3.872 2.058 0.051 1.00 0.00 C ATOM 1336 O ILE B1912 -2.961 2.222 -0.760 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.142 0.850 2.193 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.623 0.739 2.105 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.798 -0.377 1.566 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.066 -0.473 2.819 1.00 0.00 C ATOM 0 H ILE B1912 -5.184 2.096 2.949 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.807 2.908 1.693 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.453 0.869 3.238 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.329 0.700 1.056 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.175 1.638 2.528 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.424 -1.278 2.053 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.879 -0.317 1.694 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.560 -0.414 0.503 1.00 0.00 H new ATOM 0 HD11 ILE B1912 0.019 -0.489 2.716 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.329 -0.426 3.876 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.486 -1.378 2.381 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.128 1.788 -0.308 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.506 1.666 -1.709 1.00 0.00 C ATOM 1354 C GLN B1913 -5.293 3.005 -2.408 1.00 0.00 C ATOM 1355 O GLN B1913 -4.795 3.067 -3.535 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.968 1.216 -1.839 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.172 0.095 -2.848 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.551 -0.537 -2.761 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.559 0.096 -3.079 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.601 -1.793 -2.331 1.00 0.00 N ATOM 0 H GLN B1913 -5.894 1.651 0.351 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.880 0.910 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.326 0.886 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.578 2.071 -2.130 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -7.021 0.487 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.415 -0.673 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.741 -2.280 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.499 -2.270 -2.254 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.655 4.082 -1.711 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.486 5.428 -2.241 1.00 0.00 C ATOM 1371 C ARG B1914 -4.011 5.705 -2.501 1.00 0.00 C ATOM 1372 O ARG B1914 -3.653 6.401 -3.452 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.050 6.463 -1.266 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.353 7.804 -1.915 1.00 0.00 C ATOM 1375 CD ARG B1914 -7.075 8.740 -0.957 1.00 0.00 C ATOM 1376 NE ARG B1914 -6.569 10.109 -1.043 1.00 0.00 N ATOM 1377 CZ ARG B1914 -6.927 10.979 -1.987 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -7.793 10.633 -2.935 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -6.417 12.204 -1.984 1.00 0.00 N ATOM 0 H ARG B1914 -6.067 4.045 -0.779 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.033 5.502 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.963 6.070 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.337 6.613 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -5.423 8.267 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -6.965 7.649 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -8.142 8.733 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -6.959 8.374 0.063 1.00 0.00 H new ATOM 0 HE ARG B1914 -5.901 10.417 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -8.190 9.694 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -8.060 11.307 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -5.753 12.478 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -6.689 12.872 -2.705 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.157 5.139 -1.650 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.718 5.308 -1.788 1.00 0.00 C ATOM 1395 C ALA B1915 -1.242 4.735 -3.116 1.00 0.00 C ATOM 1396 O ALA B1915 -0.386 5.315 -3.783 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.992 4.641 -0.629 1.00 0.00 C ATOM 0 H ALA B1915 -3.440 4.560 -0.859 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.490 6.374 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.083 4.776 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.314 5.092 0.310 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.225 3.576 -0.618 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.814 3.596 -3.503 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.457 2.955 -4.763 1.00 0.00 C ATOM 1405 C TYR B1916 -1.786 3.874 -5.930 1.00 0.00 C ATOM 1406 O TYR B1916 -1.034 3.955 -6.900 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.192 1.623 -4.920 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.900 0.637 -3.814 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.613 0.480 -3.316 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.913 -0.133 -3.264 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.346 -0.418 -2.302 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.655 -1.032 -2.247 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.369 -1.171 -1.770 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.107 -2.066 -0.758 1.00 0.00 O ATOM 0 H TYR B1916 -2.524 3.101 -2.963 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.385 2.758 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.265 1.812 -4.953 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.917 1.176 -5.875 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.192 1.070 -3.729 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.921 -0.028 -3.637 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.661 -0.530 -1.928 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.456 -1.623 -1.828 1.00 0.00 H new ATOM 0 HH TYR B1916 -1.934 -2.527 -0.507 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.910 4.583 -5.821 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.326 5.517 -6.862 1.00 0.00 C ATOM 1426 C ARG B1917 -2.245 6.573 -7.078 1.00 0.00 C ATOM 1427 O ARG B1917 -1.950 6.958 -8.209 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.652 6.185 -6.486 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.870 5.513 -7.105 1.00 0.00 C ATOM 1430 CD ARG B1917 -6.668 4.721 -6.077 1.00 0.00 C ATOM 1431 NE ARG B1917 -7.992 5.298 -5.849 1.00 0.00 N ATOM 1432 CZ ARG B1917 -9.011 5.190 -6.703 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -8.868 4.532 -7.848 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -10.180 5.743 -6.409 1.00 0.00 N ATOM 0 H ARG B1917 -3.545 4.527 -5.025 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.471 4.963 -7.790 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.757 6.180 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.625 7.229 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -6.511 6.270 -7.557 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.549 4.847 -7.906 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -6.775 3.691 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -6.119 4.691 -5.136 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.146 5.815 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -7.972 4.103 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -9.654 4.455 -8.494 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -10.298 6.249 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -10.961 5.662 -7.060 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.646 7.018 -5.977 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.579 8.009 -6.032 1.00 0.00 C ATOM 1450 C ARG B1918 0.708 7.356 -6.524 1.00 0.00 C ATOM 1451 O ARG B1918 1.495 7.969 -7.246 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.367 8.636 -4.648 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.712 10.115 -4.590 1.00 0.00 C ATOM 1454 CD ARG B1918 0.478 10.987 -4.966 1.00 0.00 C ATOM 1455 NE ARG B1918 0.707 12.049 -3.986 1.00 0.00 N ATOM 1456 CZ ARG B1918 1.835 12.756 -3.901 1.00 0.00 C ATOM 1457 NH1 ARG B1918 2.843 12.524 -4.735 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 1.953 13.701 -2.979 1.00 0.00 N ATOM 0 H ARG B1918 -1.883 6.707 -5.035 1.00 0.00 H new ATOM 0 HA ARG B1918 -0.861 8.799 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -0.975 8.101 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.674 8.503 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG B1918 -1.542 10.322 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -1.047 10.371 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG B1918 1.371 10.368 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG B1918 0.308 11.429 -5.948 1.00 0.00 H new ATOM 0 HE ARG B1918 -0.042 12.262 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG B1918 2.758 11.800 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG B1918 3.701 13.070 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG B1918 1.182 13.886 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG B1918 2.814 14.243 -2.912 1.00 0.00 H new ATOM 1472 N TYR B1919 0.907 6.100 -6.131 1.00 0.00 N ATOM 1473 CA TYR B1919 2.087 5.343 -6.530 1.00 0.00 C ATOM 1474 C TYR B1919 2.162 5.239 -8.052 1.00 0.00 C ATOM 1475 O TYR B1919 3.106 5.729 -8.673 1.00 0.00 O ATOM 1476 CB TYR B1919 2.047 3.943 -5.903 1.00 0.00 C ATOM 1477 CG TYR B1919 3.182 3.038 -6.332 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.487 3.510 -6.408 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.946 1.709 -6.663 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.523 2.684 -6.802 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.977 0.877 -7.057 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.262 1.369 -7.125 1.00 0.00 C ATOM 1483 OH TYR B1919 6.289 0.543 -7.518 1.00 0.00 O ATOM 0 H TYR B1919 0.261 5.584 -5.533 1.00 0.00 H new ATOM 0 HA TYR B1919 2.976 5.864 -6.175 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.067 4.043 -4.818 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.101 3.468 -6.162 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.695 4.539 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.940 1.320 -6.611 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.532 3.067 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.776 -0.154 -7.310 1.00 0.00 H new ATOM 0 HH TYR B1919 6.041 0.085 -8.348 1.00 0.00 H new ATOM 1493 N LEU B1920 1.156 4.605 -8.643 1.00 0.00 N ATOM 1494 CA LEU B1920 1.097 4.443 -10.089 1.00 0.00 C ATOM 1495 C LEU B1920 0.967 5.795 -10.792 1.00 0.00 C ATOM 1496 O LEU B1920 1.280 5.917 -11.976 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.080 3.542 -10.469 1.00 0.00 C ATOM 1498 CG LEU B1920 0.121 2.725 -11.746 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.729 1.369 -11.422 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.197 2.558 -12.487 1.00 0.00 C ATOM 0 H LEU B1920 0.369 4.194 -8.141 1.00 0.00 H new ATOM 0 HA LEU B1920 2.028 3.978 -10.415 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.276 2.857 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.969 4.161 -10.587 1.00 0.00 H new ATOM 0 HG LEU B1920 0.812 3.264 -12.394 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.865 0.802 -12.343 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.695 1.510 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU B1920 0.064 0.822 -10.754 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -1.034 1.974 -13.393 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.912 2.042 -11.846 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.591 3.539 -12.754 1.00 0.00 H new