USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 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 -108:sc= -5.72! (180deg=-4.49!) USER MOD Set 1.2: B1919 TYR OH : rot -130:sc= -2.71 USER MOD Set 2.1: A 124 MET CE :methyl -147:sc= -2.56! (180deg=-5.36!) USER MOD Set 2.2: B1916 TYR OH : rot -179:sc= 1 USER MOD Set 3.1: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 138 TYR OH : rot 172:sc= -1.02 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.728 X(o=-0.73,f=-0.4) USER MOD Single : A 109 MET CE :methyl -121:sc= -1.21 (180deg=-3.71!) USER MOD Single : A 110 THR OG1 : rot -60:sc= 1.09 USER MOD Single : A 111 ASN : amide:sc= -0.9 X(o=-0.9,f=-1.1!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -0.997 USER MOD Single : A 137 ASN : amide:sc= -2.44 X(o=-2.4,f=-2.5!) USER MOD Single : A 145 MET CE :methyl -154:sc= -1.32 (180deg=-2.78!) USER MOD Single : B1908 SER OG : rot 121:sc= -2.66! USER MOD Single : B1913 GLN : amide:sc= -0.634 K(o=-0.63,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.618 9.940 2.075 1.00 0.00 N ATOM 87 CA SER A 81 0.805 8.567 1.618 1.00 0.00 C ATOM 88 C SER A 81 1.765 7.813 2.530 1.00 0.00 C ATOM 89 O SER A 81 1.460 6.716 2.997 1.00 0.00 O ATOM 90 CB SER A 81 1.332 8.553 0.183 1.00 0.00 C ATOM 91 OG SER A 81 0.281 8.737 -0.750 1.00 0.00 O ATOM 0 HA SER A 81 -0.163 8.067 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.075 9.341 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.835 7.606 -0.013 1.00 0.00 H new ATOM 0 HG SER A 81 0.645 8.726 -1.660 1.00 0.00 H new ATOM 97 N GLU A 82 2.930 8.404 2.775 1.00 0.00 N ATOM 98 CA GLU A 82 3.946 7.787 3.624 1.00 0.00 C ATOM 99 C GLU A 82 3.394 7.425 5.001 1.00 0.00 C ATOM 100 O GLU A 82 3.517 6.285 5.448 1.00 0.00 O ATOM 101 CB GLU A 82 5.144 8.726 3.779 1.00 0.00 C ATOM 102 CG GLU A 82 6.201 8.539 2.703 1.00 0.00 C ATOM 103 CD GLU A 82 7.584 8.285 3.273 1.00 0.00 C ATOM 104 OE1 GLU A 82 8.198 9.241 3.791 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.053 7.129 3.198 1.00 0.00 O ATOM 0 H GLU A 82 3.196 9.313 2.396 1.00 0.00 H new ATOM 0 HA GLU A 82 4.262 6.865 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.793 9.758 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.599 8.565 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.918 7.703 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.231 9.427 2.072 1.00 0.00 H new ATOM 112 N GLU A 83 2.799 8.402 5.677 1.00 0.00 N ATOM 113 CA GLU A 83 2.248 8.179 7.011 1.00 0.00 C ATOM 114 C GLU A 83 1.040 7.245 6.978 1.00 0.00 C ATOM 115 O GLU A 83 0.938 6.325 7.788 1.00 0.00 O ATOM 116 CB GLU A 83 1.853 9.514 7.646 1.00 0.00 C ATOM 117 CG GLU A 83 1.760 9.462 9.162 1.00 0.00 C ATOM 118 CD GLU A 83 2.191 10.759 9.818 1.00 0.00 C ATOM 119 OE1 GLU A 83 3.412 11.012 9.887 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 1.308 11.521 10.264 1.00 0.00 O ATOM 0 H GLU A 83 2.686 9.353 5.326 1.00 0.00 H new ATOM 0 HA GLU A 83 3.023 7.702 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.582 10.272 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.891 9.829 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.734 9.236 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.382 8.647 9.533 1.00 0.00 H new ATOM 127 N GLU A 84 0.124 7.494 6.051 1.00 0.00 N ATOM 128 CA GLU A 84 -1.082 6.679 5.931 1.00 0.00 C ATOM 129 C GLU A 84 -0.756 5.245 5.519 1.00 0.00 C ATOM 130 O GLU A 84 -1.220 4.291 6.143 1.00 0.00 O ATOM 131 CB GLU A 84 -2.043 7.304 4.921 1.00 0.00 C ATOM 132 CG GLU A 84 -2.594 8.649 5.361 1.00 0.00 C ATOM 133 CD GLU A 84 -3.454 8.547 6.606 1.00 0.00 C ATOM 134 OE1 GLU A 84 -4.070 7.482 6.816 1.00 0.00 O1- ATOM 135 OE2 GLU A 84 -3.511 9.534 7.370 1.00 0.00 O ATOM 0 H GLU A 84 0.191 8.252 5.372 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.556 6.646 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.528 7.426 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.873 6.619 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.766 9.332 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.183 9.079 4.551 1.00 0.00 H new ATOM 142 N LEU A 85 0.037 5.099 4.461 1.00 0.00 N ATOM 143 CA LEU A 85 0.421 3.787 3.958 1.00 0.00 C ATOM 144 C LEU A 85 1.052 2.930 5.053 1.00 0.00 C ATOM 145 O LEU A 85 0.648 1.788 5.269 1.00 0.00 O ATOM 146 CB LEU A 85 1.389 3.967 2.787 1.00 0.00 C ATOM 147 CG LEU A 85 2.006 2.696 2.199 1.00 0.00 C ATOM 148 CD1 LEU A 85 3.141 2.180 3.070 1.00 0.00 C ATOM 149 CD2 LEU A 85 0.955 1.619 1.998 1.00 0.00 C ATOM 0 H LEU A 85 0.427 5.880 3.934 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.473 3.264 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.862 4.490 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.200 4.618 3.114 1.00 0.00 H new ATOM 0 HG LEU A 85 2.419 2.954 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.559 1.276 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.918 2.941 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.761 1.952 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.423 0.728 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.498 1.373 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.188 1.982 1.314 1.00 0.00 H new ATOM 161 N ILE A 86 2.044 3.489 5.739 1.00 0.00 N ATOM 162 CA ILE A 86 2.732 2.774 6.809 1.00 0.00 C ATOM 163 C ILE A 86 1.749 2.311 7.886 1.00 0.00 C ATOM 164 O ILE A 86 1.861 1.199 8.399 1.00 0.00 O ATOM 165 CB ILE A 86 3.837 3.655 7.445 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.878 4.030 6.391 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.510 2.947 8.618 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.696 5.249 6.755 1.00 0.00 C ATOM 0 H ILE A 86 2.389 4.434 5.573 1.00 0.00 H new ATOM 0 HA ILE A 86 3.199 1.894 6.365 1.00 0.00 H new ATOM 0 HB ILE A 86 3.366 4.561 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.549 3.185 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.373 4.212 5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.280 3.593 9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.766 2.722 9.382 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.966 2.020 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.414 5.456 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.035 6.107 6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.229 5.064 7.687 1.00 0.00 H new ATOM 180 N GLU A 87 0.790 3.167 8.222 1.00 0.00 N ATOM 181 CA GLU A 87 -0.203 2.835 9.239 1.00 0.00 C ATOM 182 C GLU A 87 -1.114 1.709 8.762 1.00 0.00 C ATOM 183 O GLU A 87 -1.376 0.752 9.495 1.00 0.00 O ATOM 184 CB GLU A 87 -1.037 4.070 9.591 1.00 0.00 C ATOM 185 CG GLU A 87 -1.426 4.145 11.059 1.00 0.00 C ATOM 186 CD GLU A 87 -1.500 5.570 11.570 1.00 0.00 C ATOM 187 OE1 GLU A 87 -1.877 6.465 10.784 1.00 0.00 O ATOM 188 OE2 GLU A 87 -1.179 5.792 12.757 1.00 0.00 O1- ATOM 0 H GLU A 87 0.679 4.092 7.807 1.00 0.00 H new ATOM 0 HA GLU A 87 0.325 2.497 10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.474 4.965 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.942 4.072 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.393 3.662 11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.701 3.587 11.652 1.00 0.00 H new ATOM 195 N ALA A 88 -1.594 1.827 7.528 1.00 0.00 N ATOM 196 CA ALA A 88 -2.476 0.819 6.953 1.00 0.00 C ATOM 197 C ALA A 88 -1.795 -0.542 6.893 1.00 0.00 C ATOM 198 O ALA A 88 -2.374 -1.552 7.290 1.00 0.00 O ATOM 199 CB ALA A 88 -2.929 1.243 5.567 1.00 0.00 C ATOM 0 H ALA A 88 -1.387 2.610 6.908 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.349 0.730 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.587 0.481 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.466 2.189 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.059 1.364 4.921 1.00 0.00 H new ATOM 205 N PHE A 89 -0.565 -0.566 6.391 1.00 0.00 N ATOM 206 CA PHE A 89 0.181 -1.814 6.284 1.00 0.00 C ATOM 207 C PHE A 89 0.474 -2.385 7.663 1.00 0.00 C ATOM 208 O PHE A 89 0.464 -3.600 7.859 1.00 0.00 O ATOM 209 CB PHE A 89 1.481 -1.614 5.495 1.00 0.00 C ATOM 210 CG PHE A 89 1.382 -1.990 4.038 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.673 -3.116 3.634 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.002 -1.216 3.070 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.585 -3.457 2.298 1.00 0.00 C ATOM 214 CE2 PHE A 89 1.917 -1.553 1.732 1.00 0.00 C ATOM 215 CZ PHE A 89 1.208 -2.675 1.346 1.00 0.00 C ATOM 0 H PHE A 89 -0.067 0.258 6.054 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.437 -2.528 5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.781 -0.569 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.270 -2.206 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.185 -3.732 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.559 -0.339 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.030 -4.334 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.404 -0.940 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.141 -2.940 0.301 1.00 0.00 H new ATOM 225 N LYS A 90 0.724 -1.499 8.616 1.00 0.00 N ATOM 226 CA LYS A 90 1.013 -1.905 9.993 1.00 0.00 C ATOM 227 C LYS A 90 -0.086 -2.817 10.528 1.00 0.00 C ATOM 228 O LYS A 90 0.186 -3.804 11.211 1.00 0.00 O ATOM 229 CB LYS A 90 1.153 -0.680 10.898 1.00 0.00 C ATOM 230 CG LYS A 90 2.075 -0.905 12.086 1.00 0.00 C ATOM 231 CD LYS A 90 3.533 -0.657 11.721 1.00 0.00 C ATOM 232 CE LYS A 90 4.053 0.635 12.333 1.00 0.00 C ATOM 233 NZ LYS A 90 5.542 0.663 12.387 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.734 -0.490 8.465 1.00 0.00 H new ATOM 0 HA LYS A 90 1.955 -2.453 9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.530 0.156 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.167 -0.393 11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.786 -0.242 12.902 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.959 -1.926 12.449 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.142 -1.493 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.635 -0.613 10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.695 1.483 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.651 0.748 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.857 1.559 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.883 -0.132 12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.926 0.581 11.424 1.00 0.00 H new ATOM 247 N VAL A 91 -1.329 -2.483 10.199 1.00 0.00 N ATOM 248 CA VAL A 91 -2.472 -3.277 10.632 1.00 0.00 C ATOM 249 C VAL A 91 -2.416 -4.685 10.042 1.00 0.00 C ATOM 250 O VAL A 91 -2.939 -5.634 10.626 1.00 0.00 O ATOM 251 CB VAL A 91 -3.802 -2.615 10.227 1.00 0.00 C ATOM 252 CG1 VAL A 91 -4.979 -3.357 10.843 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.816 -1.148 10.632 1.00 0.00 C ATOM 0 H VAL A 91 -1.570 -1.669 9.634 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.423 -3.338 11.719 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.896 -2.669 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.910 -2.874 10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.979 -4.390 10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.892 -3.339 11.929 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.764 -0.698 10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.697 -1.068 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.997 -0.626 10.137 1.00 0.00 H new ATOM 263 N PHE A 92 -1.779 -4.815 8.878 1.00 0.00 N ATOM 264 CA PHE A 92 -1.658 -6.109 8.212 1.00 0.00 C ATOM 265 C PHE A 92 -0.260 -6.693 8.399 1.00 0.00 C ATOM 266 O PHE A 92 0.230 -7.438 7.550 1.00 0.00 O ATOM 267 CB PHE A 92 -1.966 -5.974 6.719 1.00 0.00 C ATOM 268 CG PHE A 92 -3.173 -5.128 6.423 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.415 -5.467 6.934 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.063 -3.996 5.632 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.526 -4.691 6.663 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.171 -3.216 5.357 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.403 -3.563 5.873 1.00 0.00 C ATOM 0 H PHE A 92 -1.340 -4.041 8.379 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.381 -6.786 8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.100 -5.544 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.118 -6.968 6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.516 -6.348 7.551 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.101 -3.720 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.489 -4.965 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.072 -2.336 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.270 -2.955 5.660 1.00 0.00 H new ATOM 352 N GLY A 98 7.949 -5.321 10.224 1.00 0.00 N ATOM 353 CA GLY A 98 7.291 -4.471 9.252 1.00 0.00 C ATOM 354 C GLY A 98 7.332 -5.046 7.850 1.00 0.00 C ATOM 355 O GLY A 98 7.915 -4.450 6.944 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.253 -4.322 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.766 -3.490 9.252 1.00 0.00 H new ATOM 359 N LEU A 99 6.707 -6.206 7.669 1.00 0.00 N ATOM 360 CA LEU A 99 6.670 -6.863 6.368 1.00 0.00 C ATOM 361 C LEU A 99 5.278 -7.418 6.083 1.00 0.00 C ATOM 362 O LEU A 99 4.463 -7.568 6.993 1.00 0.00 O ATOM 363 CB LEU A 99 7.702 -7.990 6.309 1.00 0.00 C ATOM 364 CG LEU A 99 9.147 -7.559 6.561 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.454 -7.566 8.050 1.00 0.00 C ATOM 366 CD2 LEU A 99 10.110 -8.468 5.813 1.00 0.00 C ATOM 0 H LEU A 99 6.219 -6.710 8.409 1.00 0.00 H new ATOM 0 HA LEU A 99 6.912 -6.121 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.432 -8.748 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.646 -8.462 5.328 1.00 0.00 H new ATOM 0 HG LEU A 99 9.274 -6.542 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.487 -7.257 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.785 -6.875 8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.311 -8.571 8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.134 -8.148 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.981 -9.495 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.905 -8.414 4.744 1.00 0.00 H new ATOM 378 N ILE A 100 5.011 -7.721 4.816 1.00 0.00 N ATOM 379 CA ILE A 100 3.716 -8.260 4.422 1.00 0.00 C ATOM 380 C ILE A 100 3.865 -9.271 3.288 1.00 0.00 C ATOM 381 O ILE A 100 4.745 -9.140 2.438 1.00 0.00 O ATOM 382 CB ILE A 100 2.745 -7.136 3.995 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.350 -7.708 3.730 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.269 -6.403 2.766 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.246 -6.680 3.838 1.00 0.00 C ATOM 0 H ILE A 100 5.672 -7.603 4.048 1.00 0.00 H new ATOM 0 HA ILE A 100 3.299 -8.766 5.293 1.00 0.00 H new ATOM 0 HB ILE A 100 2.674 -6.417 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.330 -8.148 2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.156 -8.514 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.568 -5.617 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.239 -5.961 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.375 -7.107 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.714 -7.155 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.240 -6.257 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.416 -5.886 3.111 1.00 0.00 H new ATOM 397 N SER A 101 2.999 -10.280 3.284 1.00 0.00 N ATOM 398 CA SER A 101 3.036 -11.315 2.258 1.00 0.00 C ATOM 399 C SER A 101 2.193 -10.914 1.051 1.00 0.00 C ATOM 400 O SER A 101 1.071 -10.432 1.196 1.00 0.00 O ATOM 401 CB SER A 101 2.541 -12.645 2.826 1.00 0.00 C ATOM 402 OG SER A 101 2.291 -13.582 1.793 1.00 0.00 O ATOM 0 H SER A 101 2.263 -10.402 3.980 1.00 0.00 H new ATOM 0 HA SER A 101 4.069 -11.433 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.284 -13.048 3.514 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.629 -12.481 3.401 1.00 0.00 H new ATOM 0 HG SER A 101 1.977 -14.424 2.184 1.00 0.00 H new ATOM 408 N ALA A 102 2.747 -11.115 -0.142 1.00 0.00 N ATOM 409 CA ALA A 102 2.052 -10.773 -1.377 1.00 0.00 C ATOM 410 C ALA A 102 0.893 -11.728 -1.650 1.00 0.00 C ATOM 411 O ALA A 102 -0.105 -11.346 -2.262 1.00 0.00 O ATOM 412 CB ALA A 102 3.026 -10.779 -2.545 1.00 0.00 C ATOM 0 H ALA A 102 3.676 -11.513 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 102 1.637 -9.772 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.496 -10.522 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.815 -10.048 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.467 -11.771 -2.646 1.00 0.00 H new ATOM 418 N ALA A 103 1.033 -12.971 -1.200 1.00 0.00 N ATOM 419 CA ALA A 103 -0.004 -13.977 -1.406 1.00 0.00 C ATOM 420 C ALA A 103 -1.331 -13.542 -0.789 1.00 0.00 C ATOM 421 O ALA A 103 -2.360 -13.522 -1.462 1.00 0.00 O ATOM 422 CB ALA A 103 0.437 -15.312 -0.825 1.00 0.00 C ATOM 0 H ALA A 103 1.852 -13.305 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.156 -14.089 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.345 -16.054 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.353 -15.638 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.619 -15.201 0.244 1.00 0.00 H new ATOM 428 N GLU A 104 -1.298 -13.195 0.493 1.00 0.00 N ATOM 429 CA GLU A 104 -2.501 -12.762 1.196 1.00 0.00 C ATOM 430 C GLU A 104 -2.839 -11.311 0.864 1.00 0.00 C ATOM 431 O GLU A 104 -4.004 -10.958 0.694 1.00 0.00 O ATOM 432 CB GLU A 104 -2.334 -12.924 2.709 1.00 0.00 C ATOM 433 CG GLU A 104 -1.014 -12.394 3.243 1.00 0.00 C ATOM 434 CD GLU A 104 -1.006 -12.271 4.755 1.00 0.00 C ATOM 435 OE1 GLU A 104 -1.738 -13.036 5.417 1.00 0.00 O ATOM 436 OE2 GLU A 104 -0.267 -11.408 5.276 1.00 0.00 O1- ATOM 0 H GLU A 104 -0.454 -13.205 1.066 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.323 -13.395 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.152 -12.408 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.420 -13.981 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.207 -13.057 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.813 -11.418 2.801 1.00 0.00 H new ATOM 443 N LEU A 105 -1.809 -10.475 0.779 1.00 0.00 N ATOM 444 CA LEU A 105 -1.987 -9.054 0.474 1.00 0.00 C ATOM 445 C LEU A 105 -2.803 -8.852 -0.803 1.00 0.00 C ATOM 446 O LEU A 105 -3.647 -7.960 -0.875 1.00 0.00 O ATOM 447 CB LEU A 105 -0.625 -8.369 0.337 1.00 0.00 C ATOM 448 CG LEU A 105 -0.674 -6.893 -0.067 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.572 -6.109 0.877 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.727 -6.300 -0.088 1.00 0.00 C ATOM 0 H LEU A 105 -0.838 -10.755 0.917 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.538 -8.603 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.098 -8.451 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.036 -8.912 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.092 -6.825 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.594 -5.062 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.582 -6.518 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.185 -6.184 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.674 -5.250 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.171 -6.381 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.341 -6.843 -0.806 1.00 0.00 H new ATOM 462 N ARG A 106 -2.542 -9.682 -1.806 1.00 0.00 N ATOM 463 CA ARG A 106 -3.253 -9.584 -3.076 1.00 0.00 C ATOM 464 C ARG A 106 -4.745 -9.828 -2.890 1.00 0.00 C ATOM 465 O ARG A 106 -5.573 -9.034 -3.334 1.00 0.00 O ATOM 466 CB ARG A 106 -2.683 -10.586 -4.082 1.00 0.00 C ATOM 467 CG ARG A 106 -3.317 -10.488 -5.461 1.00 0.00 C ATOM 468 CD ARG A 106 -3.508 -11.860 -6.090 1.00 0.00 C ATOM 469 NE ARG A 106 -4.755 -11.946 -6.847 1.00 0.00 N ATOM 470 CZ ARG A 106 -5.004 -12.873 -7.774 1.00 0.00 C ATOM 471 NH1 ARG A 106 -4.099 -13.800 -8.065 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -6.167 -12.871 -8.412 1.00 0.00 N ATOM 0 H ARG A 106 -1.847 -10.427 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.116 -8.573 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.609 -10.427 -4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.824 -11.596 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.281 -9.986 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.689 -9.875 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.668 -12.077 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.505 -12.621 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.480 -11.255 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.203 -13.808 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.300 -14.504 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.867 -12.162 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.361 -13.578 -9.121 1.00 0.00 H new ATOM 486 N HIS A 107 -5.083 -10.933 -2.234 1.00 0.00 N ATOM 487 CA HIS A 107 -6.478 -11.285 -1.994 1.00 0.00 C ATOM 488 C HIS A 107 -7.160 -10.258 -1.093 1.00 0.00 C ATOM 489 O HIS A 107 -8.284 -9.838 -1.359 1.00 0.00 O ATOM 490 CB HIS A 107 -6.568 -12.676 -1.363 1.00 0.00 C ATOM 491 CG HIS A 107 -7.973 -13.142 -1.135 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.534 -14.203 -1.815 1.00 0.00 N ATOM 493 CD2 HIS A 107 -8.933 -12.689 -0.293 1.00 0.00 C ATOM 494 CE1 HIS A 107 -9.777 -14.381 -1.403 1.00 0.00 C ATOM 495 NE2 HIS A 107 -10.042 -13.476 -0.479 1.00 0.00 N ATOM 0 H HIS A 107 -4.410 -11.601 -1.859 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.995 -11.290 -2.954 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.057 -13.392 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.038 -12.669 -0.411 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.842 -11.862 0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.459 -15.138 -1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.928 -13.378 0.017 1.00 0.00 H new ATOM 504 N VAL A 108 -6.476 -9.865 -0.026 1.00 0.00 N ATOM 505 CA VAL A 108 -7.017 -8.895 0.921 1.00 0.00 C ATOM 506 C VAL A 108 -7.401 -7.584 0.233 1.00 0.00 C ATOM 507 O VAL A 108 -8.559 -7.164 0.269 1.00 0.00 O ATOM 508 CB VAL A 108 -5.997 -8.592 2.044 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.584 -7.643 3.081 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.527 -9.881 2.702 1.00 0.00 C ATOM 0 H VAL A 108 -5.542 -10.204 0.207 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.914 -9.342 1.350 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.136 -8.101 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.844 -7.449 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.860 -6.704 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.469 -8.095 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.810 -9.647 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.382 -10.402 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.052 -10.518 1.956 1.00 0.00 H new ATOM 520 N MET A 109 -6.415 -6.934 -0.371 1.00 0.00 N ATOM 521 CA MET A 109 -6.630 -5.657 -1.041 1.00 0.00 C ATOM 522 C MET A 109 -7.634 -5.766 -2.189 1.00 0.00 C ATOM 523 O MET A 109 -8.549 -4.949 -2.298 1.00 0.00 O ATOM 524 CB MET A 109 -5.300 -5.111 -1.562 1.00 0.00 C ATOM 525 CG MET A 109 -4.203 -5.063 -0.510 1.00 0.00 C ATOM 526 SD MET A 109 -4.078 -3.452 0.287 1.00 0.00 S ATOM 527 CE MET A 109 -3.946 -3.937 2.006 1.00 0.00 C ATOM 0 H MET A 109 -5.453 -7.272 -0.411 1.00 0.00 H new ATOM 0 HA MET A 109 -7.050 -4.970 -0.306 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.965 -5.729 -2.395 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.459 -4.107 -1.954 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.396 -5.824 0.246 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.248 -5.310 -0.974 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.766 -3.496 2.572 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.995 -5.023 2.082 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.996 -3.587 2.411 1.00 0.00 H new ATOM 537 N THR A 110 -7.454 -6.762 -3.050 1.00 0.00 N ATOM 538 CA THR A 110 -8.346 -6.950 -4.193 1.00 0.00 C ATOM 539 C THR A 110 -9.762 -7.298 -3.750 1.00 0.00 C ATOM 540 O THR A 110 -10.736 -6.755 -4.271 1.00 0.00 O ATOM 541 CB THR A 110 -7.809 -8.042 -5.118 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.770 -9.291 -4.453 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.420 -7.752 -5.641 1.00 0.00 C ATOM 0 H THR A 110 -6.703 -7.449 -2.981 1.00 0.00 H new ATOM 0 HA THR A 110 -8.383 -6.005 -4.735 1.00 0.00 H new ATOM 0 HB THR A 110 -8.498 -8.070 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.190 -9.224 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.099 -8.566 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.431 -6.820 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.728 -7.661 -4.804 1.00 0.00 H new ATOM 551 N ASN A 111 -9.873 -8.213 -2.797 1.00 0.00 N ATOM 552 CA ASN A 111 -11.174 -8.638 -2.300 1.00 0.00 C ATOM 553 C ASN A 111 -11.915 -7.504 -1.592 1.00 0.00 C ATOM 554 O ASN A 111 -13.129 -7.580 -1.402 1.00 0.00 O ATOM 555 CB ASN A 111 -11.017 -9.826 -1.348 1.00 0.00 C ATOM 556 CG ASN A 111 -12.341 -10.496 -1.036 1.00 0.00 C ATOM 557 OD1 ASN A 111 -13.226 -9.896 -0.430 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.479 -11.750 -1.451 1.00 0.00 N ATOM 0 H ASN A 111 -9.079 -8.675 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.768 -8.937 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.339 -10.556 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.557 -9.486 -0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.347 -12.255 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.717 -12.209 -1.951 1.00 0.00 H new ATOM 565 N LEU A 112 -11.194 -6.455 -1.187 1.00 0.00 N ATOM 566 CA LEU A 112 -11.825 -5.336 -0.490 1.00 0.00 C ATOM 567 C LEU A 112 -11.703 -4.017 -1.262 1.00 0.00 C ATOM 568 O LEU A 112 -11.107 -3.952 -2.355 1.00 0.00 O ATOM 569 CB LEU A 112 -11.245 -5.199 0.929 1.00 0.00 C ATOM 570 CG LEU A 112 -9.934 -4.407 1.052 1.00 0.00 C ATOM 571 CD1 LEU A 112 -10.217 -2.954 1.429 1.00 0.00 C ATOM 572 CD2 LEU A 112 -9.009 -5.059 2.074 1.00 0.00 C ATOM 0 H LEU A 112 -10.188 -6.359 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.890 -5.556 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.994 -4.722 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.080 -6.199 1.330 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.434 -4.416 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.276 -2.410 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.837 -2.493 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.740 -2.921 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.086 -4.484 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.500 -5.082 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.779 -6.077 1.759 1.00 0.00 H new ATOM 584 N GLY A 113 -12.296 -2.972 -0.676 1.00 0.00 N ATOM 585 CA GLY A 113 -12.284 -1.655 -1.280 1.00 0.00 C ATOM 586 C GLY A 113 -13.190 -1.592 -2.485 1.00 0.00 C ATOM 587 O GLY A 113 -14.340 -2.028 -2.429 1.00 0.00 O ATOM 0 H GLY A 113 -12.788 -3.022 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.601 -0.914 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.267 -1.398 -1.574 1.00 0.00 H new ATOM 591 N GLU A 114 -12.665 -1.082 -3.585 1.00 0.00 N ATOM 592 CA GLU A 114 -13.423 -1.003 -4.820 1.00 0.00 C ATOM 593 C GLU A 114 -13.008 -2.149 -5.729 1.00 0.00 C ATOM 594 O GLU A 114 -12.867 -1.983 -6.940 1.00 0.00 O ATOM 595 CB GLU A 114 -13.182 0.338 -5.516 1.00 0.00 C ATOM 596 CG GLU A 114 -11.714 0.720 -5.600 1.00 0.00 C ATOM 597 CD GLU A 114 -11.472 1.909 -6.509 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.425 2.682 -6.742 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.330 2.067 -6.987 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.715 -0.716 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.487 -1.079 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.597 0.296 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.723 1.119 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.345 0.950 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.141 -0.133 -5.963 1.00 0.00 H new ATOM 606 N LYS A 115 -12.780 -3.312 -5.117 1.00 0.00 N ATOM 607 CA LYS A 115 -12.343 -4.491 -5.845 1.00 0.00 C ATOM 608 C LYS A 115 -10.990 -4.217 -6.486 1.00 0.00 C ATOM 609 O LYS A 115 -10.858 -4.213 -7.710 1.00 0.00 O ATOM 610 CB LYS A 115 -13.375 -4.884 -6.908 1.00 0.00 C ATOM 611 CG LYS A 115 -14.658 -5.459 -6.326 1.00 0.00 C ATOM 612 CD LYS A 115 -14.430 -6.836 -5.722 1.00 0.00 C ATOM 613 CE LYS A 115 -14.347 -7.909 -6.795 1.00 0.00 C ATOM 614 NZ LYS A 115 -13.366 -8.972 -6.443 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.893 -3.457 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.246 -5.325 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.619 -4.007 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.930 -5.617 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.046 -4.785 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.415 -5.524 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.509 -6.831 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -15.241 -7.071 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.331 -8.356 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.063 -7.453 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.339 -9.684 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -12.422 -8.550 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.650 -9.425 -5.551 1.00 0.00 H new ATOM 628 N LEU A 116 -9.978 -3.965 -5.645 1.00 0.00 N ATOM 629 CA LEU A 116 -8.627 -3.665 -6.144 1.00 0.00 C ATOM 630 C LEU A 116 -8.192 -4.642 -7.241 1.00 0.00 C ATOM 631 O LEU A 116 -8.162 -5.855 -7.033 1.00 0.00 O ATOM 632 CB LEU A 116 -7.607 -3.667 -5.002 1.00 0.00 C ATOM 633 CG LEU A 116 -6.593 -2.524 -5.049 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.594 -2.647 -3.913 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.871 -2.507 -6.388 1.00 0.00 C ATOM 0 H LEU A 116 -10.065 -3.962 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.665 -2.667 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.143 -3.620 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.067 -4.614 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.133 -1.584 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.881 -1.824 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.121 -2.611 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.061 -3.594 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.153 -1.687 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.346 -3.452 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.596 -2.370 -7.190 1.00 0.00 H new ATOM 647 N THR A 117 -7.871 -4.095 -8.411 1.00 0.00 N ATOM 648 CA THR A 117 -7.452 -4.897 -9.558 1.00 0.00 C ATOM 649 C THR A 117 -6.284 -5.815 -9.211 1.00 0.00 C ATOM 650 O THR A 117 -5.403 -5.453 -8.430 1.00 0.00 O ATOM 651 CB THR A 117 -7.065 -3.987 -10.724 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.235 -2.929 -10.279 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.258 -3.372 -11.422 1.00 0.00 C ATOM 0 H THR A 117 -7.894 -3.091 -8.590 1.00 0.00 H new ATOM 0 HA THR A 117 -8.297 -5.523 -9.846 1.00 0.00 H new ATOM 0 HB THR A 117 -6.541 -4.629 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.255 -2.200 -10.934 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.914 -2.738 -12.239 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.895 -4.163 -11.819 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.826 -2.772 -10.711 1.00 0.00 H new ATOM 661 N ASP A 118 -6.287 -7.006 -9.802 1.00 0.00 N ATOM 662 CA ASP A 118 -5.233 -7.984 -9.567 1.00 0.00 C ATOM 663 C ASP A 118 -3.910 -7.532 -10.184 1.00 0.00 C ATOM 664 O ASP A 118 -2.837 -7.890 -9.701 1.00 0.00 O ATOM 665 CB ASP A 118 -5.636 -9.346 -10.139 1.00 0.00 C ATOM 666 CG ASP A 118 -6.134 -9.255 -11.569 1.00 0.00 C ATOM 667 OD1 ASP A 118 -5.913 -8.207 -12.212 1.00 0.00 O1- ATOM 668 OD2 ASP A 118 -6.745 -10.235 -12.047 1.00 0.00 O ATOM 0 H ASP A 118 -7.011 -7.317 -10.449 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.094 -8.073 -8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.781 -10.020 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -6.415 -9.782 -9.514 1.00 0.00 H new ATOM 673 N ASP A 119 -3.996 -6.749 -11.255 1.00 0.00 N ATOM 674 CA ASP A 119 -2.804 -6.256 -11.939 1.00 0.00 C ATOM 675 C ASP A 119 -2.108 -5.170 -11.122 1.00 0.00 C ATOM 676 O ASP A 119 -0.892 -5.206 -10.935 1.00 0.00 O ATOM 677 CB ASP A 119 -3.173 -5.710 -13.319 1.00 0.00 C ATOM 678 CG ASP A 119 -4.013 -6.685 -14.120 1.00 0.00 C ATOM 679 OD1 ASP A 119 -3.665 -7.884 -14.149 1.00 0.00 O ATOM 680 OD2 ASP A 119 -5.019 -6.250 -14.719 1.00 0.00 O1- ATOM 0 H ASP A 119 -4.877 -6.442 -11.668 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.115 -7.093 -12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -3.720 -4.774 -13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.262 -5.480 -13.871 1.00 0.00 H new ATOM 685 N GLU A 120 -2.885 -4.204 -10.642 1.00 0.00 N ATOM 686 CA GLU A 120 -2.338 -3.107 -9.850 1.00 0.00 C ATOM 687 C GLU A 120 -1.653 -3.630 -8.591 1.00 0.00 C ATOM 688 O GLU A 120 -0.597 -3.133 -8.193 1.00 0.00 O ATOM 689 CB GLU A 120 -3.446 -2.124 -9.471 1.00 0.00 C ATOM 690 CG GLU A 120 -2.941 -0.721 -9.175 1.00 0.00 C ATOM 691 CD GLU A 120 -3.933 0.099 -8.374 1.00 0.00 C ATOM 692 OE1 GLU A 120 -3.976 -0.065 -7.136 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -4.668 0.904 -8.983 1.00 0.00 O ATOM 0 H GLU A 120 -3.894 -4.158 -10.787 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.594 -2.591 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.171 -2.076 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.973 -2.504 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.001 -0.785 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.727 -0.210 -10.114 1.00 0.00 H new ATOM 700 N VAL A 121 -2.260 -4.634 -7.967 1.00 0.00 N ATOM 701 CA VAL A 121 -1.711 -5.224 -6.758 1.00 0.00 C ATOM 702 C VAL A 121 -0.463 -6.045 -7.069 1.00 0.00 C ATOM 703 O VAL A 121 0.453 -6.135 -6.252 1.00 0.00 O ATOM 704 CB VAL A 121 -2.751 -6.111 -6.043 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.198 -7.248 -6.945 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.198 -6.643 -4.728 1.00 0.00 C ATOM 0 H VAL A 121 -3.134 -5.055 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.439 -4.404 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.623 -5.497 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.931 -7.861 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.647 -6.839 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.337 -7.861 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.950 -7.265 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.305 -7.237 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.943 -5.808 -4.076 1.00 0.00 H new ATOM 716 N ASP A 122 -0.437 -6.644 -8.255 1.00 0.00 N ATOM 717 CA ASP A 122 0.694 -7.461 -8.676 1.00 0.00 C ATOM 718 C ASP A 122 1.956 -6.618 -8.844 1.00 0.00 C ATOM 719 O ASP A 122 3.065 -7.090 -8.594 1.00 0.00 O ATOM 720 CB ASP A 122 0.369 -8.178 -9.988 1.00 0.00 C ATOM 721 CG ASP A 122 -0.282 -9.529 -9.764 1.00 0.00 C ATOM 722 OD1 ASP A 122 -0.062 -10.122 -8.687 1.00 0.00 O1- ATOM 723 OD2 ASP A 122 -1.013 -9.993 -10.665 1.00 0.00 O ATOM 0 H ASP A 122 -1.188 -6.578 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 122 0.880 -8.200 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.295 -7.553 -10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.286 -8.310 -10.563 1.00 0.00 H new ATOM 728 N GLU A 123 1.782 -5.372 -9.276 1.00 0.00 N ATOM 729 CA GLU A 123 2.911 -4.470 -9.486 1.00 0.00 C ATOM 730 C GLU A 123 3.474 -3.960 -8.162 1.00 0.00 C ATOM 731 O GLU A 123 4.677 -4.047 -7.914 1.00 0.00 O ATOM 732 CB GLU A 123 2.487 -3.288 -10.359 1.00 0.00 C ATOM 733 CG GLU A 123 3.656 -2.507 -10.938 1.00 0.00 C ATOM 734 CD GLU A 123 4.321 -3.226 -12.096 1.00 0.00 C ATOM 735 OE1 GLU A 123 3.624 -3.525 -13.088 1.00 0.00 O ATOM 736 OE2 GLU A 123 5.540 -3.487 -12.010 1.00 0.00 O1- ATOM 0 H GLU A 123 0.871 -4.964 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 123 3.695 -5.033 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.866 -3.655 -11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.868 -2.614 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.305 -1.531 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.393 -2.329 -10.155 1.00 0.00 H new ATOM 743 N MET A 124 2.599 -3.423 -7.316 1.00 0.00 N ATOM 744 CA MET A 124 3.007 -2.891 -6.015 1.00 0.00 C ATOM 745 C MET A 124 3.760 -3.933 -5.190 1.00 0.00 C ATOM 746 O MET A 124 4.723 -3.610 -4.495 1.00 0.00 O ATOM 747 CB MET A 124 1.781 -2.418 -5.240 1.00 0.00 C ATOM 748 CG MET A 124 0.792 -3.531 -4.957 1.00 0.00 C ATOM 749 SD MET A 124 -0.638 -2.969 -4.017 1.00 0.00 S ATOM 750 CE MET A 124 -0.723 -4.230 -2.747 1.00 0.00 C ATOM 0 H MET A 124 1.600 -3.344 -7.507 1.00 0.00 H new ATOM 0 HA MET A 124 3.679 -2.052 -6.196 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.103 -1.977 -4.297 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.282 -1.631 -5.806 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.455 -3.961 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.294 -4.326 -4.406 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.764 -4.403 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.288 -5.156 -3.124 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.169 -3.900 -1.869 1.00 0.00 H new ATOM 760 N ILE A 125 3.305 -5.180 -5.259 1.00 0.00 N ATOM 761 CA ILE A 125 3.927 -6.263 -4.506 1.00 0.00 C ATOM 762 C ILE A 125 5.266 -6.682 -5.111 1.00 0.00 C ATOM 763 O ILE A 125 6.181 -7.087 -4.393 1.00 0.00 O ATOM 764 CB ILE A 125 2.992 -7.492 -4.420 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.737 -8.075 -5.818 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.678 -7.111 -3.739 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.752 -9.227 -5.827 1.00 0.00 C ATOM 0 H ILE A 125 2.508 -5.465 -5.828 1.00 0.00 H new ATOM 0 HA ILE A 125 4.108 -5.880 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 125 3.479 -8.260 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.364 -7.284 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.684 -8.414 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.029 -7.985 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.882 -6.748 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.184 -6.328 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.622 -9.587 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.132 -10.036 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.792 -8.888 -5.437 1.00 0.00 H new ATOM 779 N ARG A 126 5.377 -6.586 -6.432 1.00 0.00 N ATOM 780 CA ARG A 126 6.607 -6.960 -7.124 1.00 0.00 C ATOM 781 C ARG A 126 7.689 -5.899 -6.930 1.00 0.00 C ATOM 782 O ARG A 126 8.862 -6.220 -6.745 1.00 0.00 O ATOM 783 CB ARG A 126 6.334 -7.176 -8.617 1.00 0.00 C ATOM 784 CG ARG A 126 6.680 -8.577 -9.102 1.00 0.00 C ATOM 785 CD ARG A 126 7.611 -8.548 -10.306 1.00 0.00 C ATOM 786 NE ARG A 126 6.964 -7.983 -11.489 1.00 0.00 N ATOM 787 CZ ARG A 126 6.023 -8.610 -12.197 1.00 0.00 C ATOM 788 NH1 ARG A 126 5.610 -9.824 -11.850 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 5.494 -8.018 -13.259 1.00 0.00 N ATOM 0 H ARG A 126 4.632 -6.253 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 126 6.967 -7.894 -6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.281 -6.981 -8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.908 -6.449 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.151 -9.135 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.764 -9.107 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.498 -7.962 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.949 -9.561 -10.527 1.00 0.00 H new ATOM 0 HE ARG A 126 7.250 -7.052 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.013 -10.286 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.890 -10.294 -12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.807 -7.086 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.774 -8.494 -13.803 1.00 0.00 H new ATOM 803 N GLU A 127 7.284 -4.635 -6.984 1.00 0.00 N ATOM 804 CA GLU A 127 8.214 -3.523 -6.823 1.00 0.00 C ATOM 805 C GLU A 127 8.582 -3.311 -5.357 1.00 0.00 C ATOM 806 O GLU A 127 9.667 -2.819 -5.047 1.00 0.00 O ATOM 807 CB GLU A 127 7.605 -2.242 -7.396 1.00 0.00 C ATOM 808 CG GLU A 127 8.633 -1.290 -7.988 1.00 0.00 C ATOM 809 CD GLU A 127 8.899 -1.559 -9.455 1.00 0.00 C ATOM 810 OE1 GLU A 127 9.490 -2.613 -9.768 1.00 0.00 O1- ATOM 811 OE2 GLU A 127 8.515 -0.715 -10.293 1.00 0.00 O ATOM 0 H GLU A 127 6.316 -4.354 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 127 9.125 -3.768 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.881 -2.507 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.056 -1.726 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.284 -0.264 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.566 -1.377 -7.431 1.00 0.00 H new ATOM 818 N ALA A 128 7.671 -3.673 -4.459 1.00 0.00 N ATOM 819 CA ALA A 128 7.905 -3.506 -3.029 1.00 0.00 C ATOM 820 C ALA A 128 9.149 -4.264 -2.572 1.00 0.00 C ATOM 821 O ALA A 128 10.028 -3.696 -1.925 1.00 0.00 O ATOM 822 CB ALA A 128 6.689 -3.971 -2.243 1.00 0.00 C ATOM 0 H ALA A 128 6.767 -4.082 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 128 8.073 -2.446 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.874 -3.842 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.820 -3.381 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.500 -5.024 -2.454 1.00 0.00 H new ATOM 828 N ASP A 129 9.217 -5.549 -2.916 1.00 0.00 N ATOM 829 CA ASP A 129 10.355 -6.390 -2.543 1.00 0.00 C ATOM 830 C ASP A 129 10.133 -7.824 -3.009 1.00 0.00 C ATOM 831 O ASP A 129 10.920 -8.364 -3.786 1.00 0.00 O ATOM 832 CB ASP A 129 10.576 -6.368 -1.026 1.00 0.00 C ATOM 833 CG ASP A 129 12.045 -6.328 -0.656 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.768 -7.290 -0.993 1.00 0.00 O1- ATOM 835 OD2 ASP A 129 12.474 -5.336 -0.031 1.00 0.00 O ATOM 0 H ASP A 129 8.497 -6.032 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 129 11.243 -5.989 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.073 -5.499 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.116 -7.251 -0.582 1.00 0.00 H new ATOM 915 N ILE A 136 7.597 -8.862 2.368 1.00 0.00 N ATOM 916 CA ILE A 136 7.592 -7.549 1.731 1.00 0.00 C ATOM 917 C ILE A 136 7.586 -6.424 2.759 1.00 0.00 C ATOM 918 O ILE A 136 6.549 -6.110 3.341 1.00 0.00 O ATOM 919 CB ILE A 136 6.371 -7.373 0.810 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.182 -8.604 -0.080 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.532 -6.118 -0.034 1.00 0.00 C ATOM 922 CD1 ILE A 136 4.862 -8.620 -0.818 1.00 0.00 C ATOM 0 HA ILE A 136 8.506 -7.495 1.140 1.00 0.00 H new ATOM 0 HB ILE A 136 5.480 -7.266 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.995 -8.646 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.256 -9.501 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.664 -6.002 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.617 -5.249 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.431 -6.203 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.797 -9.521 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.043 -8.610 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.793 -7.741 -1.459 1.00 0.00 H new ATOM 934 N ASN A 137 8.743 -5.803 2.963 1.00 0.00 N ATOM 935 CA ASN A 137 8.852 -4.700 3.907 1.00 0.00 C ATOM 936 C ASN A 137 8.141 -3.467 3.354 1.00 0.00 C ATOM 937 O ASN A 137 8.407 -3.042 2.230 1.00 0.00 O ATOM 938 CB ASN A 137 10.326 -4.387 4.193 1.00 0.00 C ATOM 939 CG ASN A 137 10.646 -4.421 5.675 1.00 0.00 C ATOM 940 OD1 ASN A 137 11.247 -5.375 6.169 1.00 0.00 O ATOM 941 ND2 ASN A 137 10.244 -3.379 6.392 1.00 0.00 N ATOM 0 H ASN A 137 9.614 -6.044 2.489 1.00 0.00 H new ATOM 0 HA ASN A 137 8.374 -4.989 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.956 -5.108 3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.570 -3.403 3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.430 -3.347 7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.749 -2.610 5.941 1.00 0.00 H new ATOM 948 N TYR A 138 7.230 -2.902 4.140 1.00 0.00 N ATOM 949 CA TYR A 138 6.481 -1.726 3.705 1.00 0.00 C ATOM 950 C TYR A 138 7.280 -0.431 3.868 1.00 0.00 C ATOM 951 O TYR A 138 6.766 0.647 3.582 1.00 0.00 O ATOM 952 CB TYR A 138 5.155 -1.618 4.460 1.00 0.00 C ATOM 953 CG TYR A 138 5.280 -1.793 5.955 1.00 0.00 C ATOM 954 CD1 TYR A 138 6.063 -0.933 6.714 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.610 -2.819 6.607 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.174 -1.090 8.079 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.716 -2.982 7.973 1.00 0.00 C ATOM 958 CZ TYR A 138 5.500 -2.115 8.705 1.00 0.00 C ATOM 959 OH TYR A 138 5.607 -2.272 10.069 1.00 0.00 O ATOM 0 H TYR A 138 6.993 -3.235 5.074 1.00 0.00 H new ATOM 0 HA TYR A 138 6.282 -1.858 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.711 -0.644 4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.467 -2.370 4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.594 -0.128 6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.996 -3.500 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.787 -0.412 8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.188 -3.784 8.466 1.00 0.00 H new ATOM 0 HH TYR A 138 4.973 -2.956 10.370 1.00 0.00 H new ATOM 969 N GLU A 139 8.532 -0.531 4.318 1.00 0.00 N ATOM 970 CA GLU A 139 9.373 0.646 4.500 1.00 0.00 C ATOM 971 C GLU A 139 10.101 0.983 3.203 1.00 0.00 C ATOM 972 O GLU A 139 10.237 2.151 2.839 1.00 0.00 O ATOM 973 CB GLU A 139 10.376 0.409 5.635 1.00 0.00 C ATOM 974 CG GLU A 139 10.255 1.411 6.772 1.00 0.00 C ATOM 975 CD GLU A 139 10.342 0.759 8.139 1.00 0.00 C ATOM 976 OE1 GLU A 139 11.155 -0.175 8.300 1.00 0.00 O1- ATOM 977 OE2 GLU A 139 9.596 1.181 9.047 1.00 0.00 O ATOM 0 H GLU A 139 8.982 -1.413 4.562 1.00 0.00 H new ATOM 0 HA GLU A 139 8.740 1.492 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.233 -0.596 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.387 0.452 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.044 2.157 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.305 1.939 6.686 1.00 0.00 H new ATOM 984 N GLU A 140 10.551 -0.052 2.502 1.00 0.00 N ATOM 985 CA GLU A 140 11.245 0.128 1.236 1.00 0.00 C ATOM 986 C GLU A 140 10.237 0.450 0.145 1.00 0.00 C ATOM 987 O GLU A 140 10.464 1.317 -0.699 1.00 0.00 O ATOM 988 CB GLU A 140 12.032 -1.133 0.870 1.00 0.00 C ATOM 989 CG GLU A 140 13.430 -1.174 1.466 1.00 0.00 C ATOM 990 CD GLU A 140 14.289 -2.266 0.859 1.00 0.00 C ATOM 991 OE1 GLU A 140 14.959 -1.997 -0.160 1.00 0.00 O1- ATOM 992 OE2 GLU A 140 14.294 -3.390 1.404 1.00 0.00 O ATOM 0 H GLU A 140 10.447 -1.025 2.791 1.00 0.00 H new ATOM 0 HA GLU A 140 11.949 0.955 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.477 -2.008 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.107 -1.202 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.914 -0.209 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.358 -1.329 2.542 1.00 0.00 H new ATOM 999 N PHE A 141 9.110 -0.253 0.189 1.00 0.00 N ATOM 1000 CA PHE A 141 8.036 -0.054 -0.772 1.00 0.00 C ATOM 1001 C PHE A 141 7.510 1.376 -0.683 1.00 0.00 C ATOM 1002 O PHE A 141 7.365 2.059 -1.697 1.00 0.00 O ATOM 1003 CB PHE A 141 6.915 -1.066 -0.504 1.00 0.00 C ATOM 1004 CG PHE A 141 5.664 -0.843 -1.311 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.702 -0.834 -2.696 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.450 -0.644 -0.675 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.550 -0.630 -3.432 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.297 -0.440 -1.403 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.345 -0.432 -2.784 1.00 0.00 C ATOM 0 H PHE A 141 8.918 -0.971 0.887 1.00 0.00 H new ATOM 0 HA PHE A 141 8.417 -0.212 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.291 -2.068 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.659 -1.033 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.642 -0.988 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.406 -0.649 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.591 -0.625 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.357 -0.287 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.443 -0.271 -3.356 1.00 0.00 H new ATOM 1019 N VAL A 142 7.232 1.825 0.538 1.00 0.00 N ATOM 1020 CA VAL A 142 6.732 3.175 0.750 1.00 0.00 C ATOM 1021 C VAL A 142 7.805 4.208 0.430 1.00 0.00 C ATOM 1022 O VAL A 142 7.506 5.297 -0.063 1.00 0.00 O ATOM 1023 CB VAL A 142 6.236 3.386 2.199 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.380 3.263 3.198 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.549 4.735 2.333 1.00 0.00 C ATOM 0 H VAL A 142 7.345 1.275 1.390 1.00 0.00 H new ATOM 0 HA VAL A 142 5.887 3.307 0.074 1.00 0.00 H new ATOM 0 HB VAL A 142 5.512 2.603 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.999 3.416 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.822 2.270 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.138 4.015 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.206 4.868 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.252 5.528 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.695 4.777 1.656 1.00 0.00 H new ATOM 1035 N ARG A 143 9.061 3.862 0.710 1.00 0.00 N ATOM 1036 CA ARG A 143 10.165 4.767 0.449 1.00 0.00 C ATOM 1037 C ARG A 143 10.264 5.066 -1.039 1.00 0.00 C ATOM 1038 O ARG A 143 10.237 6.223 -1.439 1.00 0.00 O ATOM 1039 CB ARG A 143 11.480 4.166 0.959 1.00 0.00 C ATOM 1040 CG ARG A 143 11.917 4.716 2.309 1.00 0.00 C ATOM 1041 CD ARG A 143 13.187 4.042 2.807 1.00 0.00 C ATOM 1042 NE ARG A 143 14.207 5.016 3.198 1.00 0.00 N ATOM 1043 CZ ARG A 143 15.465 4.698 3.506 1.00 0.00 C ATOM 1044 NH1 ARG A 143 15.870 3.432 3.473 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 16.322 5.650 3.849 1.00 0.00 N ATOM 0 H ARG A 143 9.332 2.966 1.115 1.00 0.00 H new ATOM 0 HA ARG A 143 9.980 5.701 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.370 3.084 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 143 12.265 4.356 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 143 12.083 5.790 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.119 4.571 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.949 3.404 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 143 13.584 3.395 2.025 1.00 0.00 H new ATOM 0 HE ARG A 143 13.939 5.999 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.217 2.694 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 143 16.834 3.199 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 143 16.019 6.623 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 143 17.285 5.409 4.085 1.00 0.00 H new ATOM 1059 N MET A 144 10.361 4.016 -1.851 1.00 0.00 N ATOM 1060 CA MET A 144 10.456 4.174 -3.299 1.00 0.00 C ATOM 1061 C MET A 144 9.164 4.743 -3.875 1.00 0.00 C ATOM 1062 O MET A 144 9.186 5.476 -4.864 1.00 0.00 O ATOM 1063 CB MET A 144 10.784 2.836 -3.968 1.00 0.00 C ATOM 1064 CG MET A 144 9.758 1.747 -3.695 1.00 0.00 C ATOM 1065 SD MET A 144 9.433 0.719 -5.141 1.00 0.00 S ATOM 1066 CE MET A 144 7.979 1.527 -5.804 1.00 0.00 C ATOM 0 H MET A 144 10.376 3.048 -1.531 1.00 0.00 H new ATOM 0 HA MET A 144 11.263 4.877 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.862 2.988 -5.045 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.761 2.497 -3.623 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.111 1.117 -2.878 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.826 2.206 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.104 0.899 -5.634 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.838 2.487 -5.308 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.108 1.688 -6.874 1.00 0.00 H new ATOM 1076 N MET A 145 8.036 4.408 -3.250 1.00 0.00 N ATOM 1077 CA MET A 145 6.738 4.897 -3.706 1.00 0.00 C ATOM 1078 C MET A 145 6.707 6.423 -3.711 1.00 0.00 C ATOM 1079 O MET A 145 6.042 7.040 -4.543 1.00 0.00 O ATOM 1080 CB MET A 145 5.620 4.355 -2.813 1.00 0.00 C ATOM 1081 CG MET A 145 4.227 4.578 -3.381 1.00 0.00 C ATOM 1082 SD MET A 145 3.015 5.003 -2.115 1.00 0.00 S ATOM 1083 CE MET A 145 2.892 3.451 -1.229 1.00 0.00 C ATOM 0 H MET A 145 7.996 3.803 -2.430 1.00 0.00 H new ATOM 0 HA MET A 145 6.581 4.543 -4.725 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.774 3.287 -2.659 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.685 4.830 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.266 5.376 -4.123 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.903 3.676 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.915 3.381 -0.751 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.015 2.623 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.672 3.403 -0.469 1.00 0.00 H new ATOM 1093 N VAL A 146 7.442 7.021 -2.779 1.00 0.00 N ATOM 1094 CA VAL A 146 7.513 8.474 -2.673 1.00 0.00 C ATOM 1095 C VAL A 146 8.900 9.006 -3.049 1.00 0.00 C ATOM 1096 O VAL A 146 9.074 10.206 -3.256 1.00 0.00 O ATOM 1097 CB VAL A 146 7.169 8.952 -1.247 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.741 8.571 -0.883 1.00 0.00 C ATOM 1099 CG2 VAL A 146 8.156 8.392 -0.230 1.00 0.00 C ATOM 0 H VAL A 146 7.998 6.521 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 146 6.779 8.867 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 146 7.248 10.039 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.518 8.917 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 146 5.050 9.035 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.631 7.487 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.891 8.744 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.121 7.303 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 146 9.163 8.728 -0.477 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.735 -3.747 9.855 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.807 -4.265 8.857 1.00 0.00 C ATOM 1233 C GLU B1905 -9.131 -3.729 7.464 1.00 0.00 C ATOM 1234 O GLU B1905 -8.262 -3.191 6.776 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.842 -5.794 8.847 1.00 0.00 C ATOM 1236 CG GLU B1905 -7.904 -6.432 9.859 1.00 0.00 C ATOM 1237 CD GLU B1905 -7.747 -7.924 9.647 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -8.751 -8.654 9.793 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -6.620 -8.365 9.334 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.806 -3.928 9.126 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.860 -6.127 9.048 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.582 -6.148 7.850 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -6.926 -5.955 9.794 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -8.282 -6.249 10.865 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.386 -3.888 7.049 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.822 -3.430 5.731 1.00 0.00 C ATOM 1248 C GLU B1906 -10.531 -1.945 5.529 1.00 0.00 C ATOM 1249 O GLU B1906 -9.942 -1.555 4.522 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.315 -3.703 5.538 1.00 0.00 C ATOM 1251 CG GLU B1906 -13.192 -3.109 6.627 1.00 0.00 C ATOM 1252 CD GLU B1906 -14.537 -3.804 6.731 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -14.581 -5.040 6.565 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -15.545 -3.110 6.978 1.00 0.00 O1- ATOM 0 H GLU B1906 -11.118 -4.330 7.605 1.00 0.00 H new ATOM 0 HA GLU B1906 -10.257 -3.988 4.985 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.627 -3.301 4.574 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.476 -4.780 5.502 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.675 -3.179 7.584 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -13.348 -2.049 6.426 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.946 -1.119 6.489 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.726 0.326 6.407 1.00 0.00 C ATOM 1263 C VAL B1907 -9.252 0.654 6.179 1.00 0.00 C ATOM 1264 O VAL B1907 -8.916 1.535 5.380 1.00 0.00 O ATOM 1265 CB VAL B1907 -11.210 1.048 7.679 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -12.729 1.059 7.742 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -10.623 0.400 8.924 1.00 0.00 C ATOM 0 H VAL B1907 -11.435 -1.424 7.331 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.308 0.679 5.556 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.862 2.080 7.639 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -13.052 1.573 8.647 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -13.126 1.577 6.869 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -13.100 0.034 7.755 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -10.978 0.926 9.810 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -10.934 -0.643 8.972 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -9.535 0.452 8.883 1.00 0.00 H new ATOM 1277 N SER B1908 -8.374 -0.067 6.873 1.00 0.00 N ATOM 1278 CA SER B1908 -6.937 0.141 6.735 1.00 0.00 C ATOM 1279 C SER B1908 -6.511 -0.054 5.284 1.00 0.00 C ATOM 1280 O SER B1908 -5.624 0.638 4.785 1.00 0.00 O ATOM 1281 CB SER B1908 -6.169 -0.821 7.642 1.00 0.00 C ATOM 1282 OG SER B1908 -6.209 -0.390 8.992 1.00 0.00 O ATOM 0 H SER B1908 -8.633 -0.799 7.535 1.00 0.00 H new ATOM 0 HA SER B1908 -6.706 1.163 7.035 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.597 -1.820 7.563 1.00 0.00 H new ATOM 0 HB3 SER B1908 -5.133 -0.891 7.310 1.00 0.00 H new ATOM 0 HG SER B1908 -6.620 -1.086 9.546 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.163 -0.994 4.607 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.867 -1.272 3.209 1.00 0.00 C ATOM 1290 C ALA B1909 -7.445 -0.185 2.302 1.00 0.00 C ATOM 1291 O ALA B1909 -6.957 0.030 1.193 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.397 -2.643 2.817 1.00 0.00 C ATOM 0 H ALA B1909 -7.900 -1.576 5.006 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.784 -1.273 3.082 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.168 -2.836 1.769 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.927 -3.406 3.438 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.477 -2.671 2.963 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.479 0.508 2.780 1.00 0.00 N ATOM 1299 CA ILE B1910 -9.096 1.577 2.003 1.00 0.00 C ATOM 1300 C ILE B1910 -8.093 2.697 1.758 1.00 0.00 C ATOM 1301 O ILE B1910 -7.814 3.055 0.613 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.342 2.157 2.708 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.317 1.038 3.078 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -11.029 3.185 1.817 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -11.890 0.315 1.879 1.00 0.00 C ATOM 0 H ILE B1910 -8.902 0.348 3.694 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.411 1.144 1.054 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.019 2.653 3.624 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -10.805 0.318 3.716 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -12.135 1.458 3.664 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.905 3.583 2.329 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.336 3.997 1.598 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.338 2.711 0.886 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -12.573 -0.465 2.216 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.430 1.023 1.251 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -11.080 -0.135 1.304 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.544 3.245 2.841 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.564 4.321 2.726 1.00 0.00 C ATOM 1319 C VAL B1911 -5.340 3.852 1.948 1.00 0.00 C ATOM 1320 O VAL B1911 -4.844 4.554 1.066 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.118 4.849 4.108 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.439 3.751 4.917 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.193 6.047 3.945 1.00 0.00 C ATOM 0 H VAL B1911 -7.759 2.965 3.798 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.051 5.136 2.190 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.006 5.169 4.654 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.134 4.148 5.885 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.135 2.925 5.066 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.561 3.393 4.379 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.888 6.407 4.927 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.311 5.751 3.377 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.717 6.842 3.414 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.859 2.656 2.279 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.696 2.089 1.610 1.00 0.00 C ATOM 1335 C ILE B1912 -3.946 1.996 0.098 1.00 0.00 C ATOM 1336 O ILE B1912 -3.027 2.142 -0.708 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.315 0.706 2.241 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.816 0.649 2.522 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.729 -0.493 1.390 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.408 -0.520 3.391 1.00 0.00 C ATOM 0 H ILE B1912 -5.258 2.063 3.006 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.841 2.749 1.756 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.877 0.634 3.172 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.279 0.592 1.575 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.510 1.576 3.007 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.432 -1.414 1.891 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.810 -0.486 1.253 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.240 -0.435 0.417 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.330 -0.497 3.549 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.917 -0.454 4.352 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.683 -1.453 2.898 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.207 1.776 -0.265 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.598 1.688 -1.664 1.00 0.00 C ATOM 1354 C GLN B1913 -5.347 3.025 -2.354 1.00 0.00 C ATOM 1355 O GLN B1913 -4.855 3.078 -3.483 1.00 0.00 O ATOM 1356 CB GLN B1913 -7.077 1.297 -1.777 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.346 0.212 -2.808 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.686 -0.469 -2.603 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.739 0.121 -2.847 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.653 -1.719 -2.150 1.00 0.00 N ATOM 0 H GLN B1913 -5.976 1.655 0.395 1.00 0.00 H new ATOM 0 HA GLN B1913 -5.000 0.920 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.429 0.956 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.659 2.182 -2.034 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -7.314 0.649 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.553 -0.534 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.758 -2.170 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.523 -2.227 -1.992 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.678 4.105 -1.652 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.479 5.449 -2.176 1.00 0.00 C ATOM 1371 C ARG B1914 -3.999 5.703 -2.432 1.00 0.00 C ATOM 1372 O ARG B1914 -3.630 6.412 -3.368 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.029 6.488 -1.197 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.460 7.785 -1.862 1.00 0.00 C ATOM 1375 CD ARG B1914 -6.955 8.795 -0.839 1.00 0.00 C ATOM 1376 NE ARG B1914 -5.899 9.721 -0.430 1.00 0.00 N ATOM 1377 CZ ARG B1914 -6.017 10.594 0.573 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -7.142 10.669 1.276 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -5.003 11.394 0.872 1.00 0.00 N ATOM 0 H ARG B1914 -6.086 4.074 -0.718 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.018 5.536 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.881 6.061 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.267 6.709 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -5.622 8.207 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.250 7.580 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -7.789 9.358 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -7.335 8.268 0.036 1.00 0.00 H new ATOM 0 HE ARG B1914 -5.018 9.698 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -7.926 10.056 1.051 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -7.222 11.340 2.040 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -4.137 11.341 0.336 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -5.089 12.062 1.638 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.153 5.107 -1.593 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.712 5.256 -1.729 1.00 0.00 C ATOM 1395 C ALA B1915 -1.239 4.690 -3.061 1.00 0.00 C ATOM 1396 O ALA B1915 -0.414 5.294 -3.747 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.997 4.569 -0.575 1.00 0.00 C ATOM 0 H ALA B1915 -3.444 4.517 -0.813 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.471 6.319 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.080 4.689 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.313 5.017 0.367 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.245 3.508 -0.573 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.777 3.529 -3.427 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.420 2.881 -4.683 1.00 0.00 C ATOM 1405 C TYR B1916 -1.753 3.785 -5.863 1.00 0.00 C ATOM 1406 O TYR B1916 -0.995 3.866 -6.829 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.157 1.549 -4.827 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.916 0.595 -3.680 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.645 0.424 -3.148 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.961 -0.133 -3.129 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.422 -0.445 -2.098 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.749 -1.003 -2.077 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.477 -1.157 -1.565 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.260 -2.022 -0.517 1.00 0.00 O ATOM 0 H TYR B1916 -2.462 3.019 -2.870 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.347 2.692 -4.675 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.227 1.743 -4.909 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.848 1.071 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.183 0.980 -3.562 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.957 -0.017 -3.530 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.573 -0.567 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.574 -1.559 -1.658 1.00 0.00 H new ATOM 0 HH TYR B1916 -2.104 -2.455 -0.270 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.891 4.471 -5.772 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.324 5.381 -6.829 1.00 0.00 C ATOM 1426 C ARG B1917 -2.265 6.450 -7.081 1.00 0.00 C ATOM 1427 O ARG B1917 -1.941 6.761 -8.226 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.654 6.039 -6.455 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.180 6.998 -7.510 1.00 0.00 C ATOM 1430 CD ARG B1917 -5.885 8.187 -6.879 1.00 0.00 C ATOM 1431 NE ARG B1917 -7.325 7.973 -6.765 1.00 0.00 N ATOM 1432 CZ ARG B1917 -8.143 8.746 -6.051 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -7.671 9.791 -5.378 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -9.439 8.472 -6.007 1.00 0.00 N ATOM 0 H ARG B1917 -3.529 4.414 -4.978 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.462 4.803 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -5.398 5.261 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.531 6.578 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -4.354 7.349 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.870 6.472 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -5.467 8.373 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -5.697 9.079 -7.477 1.00 0.00 H new ATOM 0 HE ARG B1917 -7.731 7.181 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -6.675 10.007 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -8.305 10.376 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -9.809 7.671 -6.519 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -10.067 9.062 -5.461 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.719 6.999 -5.999 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.685 8.021 -6.104 1.00 0.00 C ATOM 1450 C ARG B1918 0.627 7.399 -6.571 1.00 0.00 C ATOM 1451 O ARG B1918 1.408 8.029 -7.283 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.490 8.725 -4.758 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.290 10.227 -4.883 1.00 0.00 C ATOM 1454 CD ARG B1918 -0.668 10.950 -3.600 1.00 0.00 C ATOM 1455 NE ARG B1918 -0.993 12.356 -3.838 1.00 0.00 N ATOM 1456 CZ ARG B1918 -2.065 12.770 -4.515 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -2.922 11.894 -5.028 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -2.281 14.069 -4.680 1.00 0.00 N ATOM 0 H ARG B1918 -1.975 6.753 -5.043 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.002 8.761 -6.839 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.358 8.533 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.373 8.292 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG B1918 0.751 10.437 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -0.893 10.608 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -1.523 10.453 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG B1918 0.157 10.884 -2.890 1.00 0.00 H new ATOM 0 HE ARG B1918 -0.361 13.063 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -2.763 10.894 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -3.739 12.222 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -1.628 14.748 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -3.100 14.388 -5.197 1.00 0.00 H new ATOM 1472 N TYR B1919 0.857 6.150 -6.170 1.00 0.00 N ATOM 1473 CA TYR B1919 2.066 5.431 -6.554 1.00 0.00 C ATOM 1474 C TYR B1919 2.145 5.302 -8.074 1.00 0.00 C ATOM 1475 O TYR B1919 3.118 5.731 -8.696 1.00 0.00 O ATOM 1476 CB TYR B1919 2.085 4.044 -5.892 1.00 0.00 C ATOM 1477 CG TYR B1919 3.197 3.135 -6.378 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.499 3.604 -6.510 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.940 1.810 -6.710 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.512 2.776 -6.959 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.948 0.979 -7.160 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.232 1.466 -7.282 1.00 0.00 C ATOM 1483 OH TYR B1919 6.237 0.642 -7.729 1.00 0.00 O ATOM 0 H TYR B1919 0.220 5.616 -5.579 1.00 0.00 H new ATOM 0 HA TYR B1919 2.936 5.992 -6.212 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.180 4.170 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.127 3.555 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.723 4.630 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.936 1.424 -6.615 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.519 3.155 -7.056 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.731 -0.048 -7.415 1.00 0.00 H new ATOM 0 HH TYR B1919 5.950 0.192 -8.551 1.00 0.00 H new ATOM 1493 N LEU B1920 1.110 4.715 -8.664 1.00 0.00 N ATOM 1494 CA LEU B1920 1.056 4.535 -10.109 1.00 0.00 C ATOM 1495 C LEU B1920 1.010 5.885 -10.821 1.00 0.00 C ATOM 1496 O LEU B1920 1.497 6.024 -11.943 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.163 3.688 -10.492 1.00 0.00 C ATOM 1498 CG LEU B1920 0.109 2.592 -11.525 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.595 1.324 -10.841 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.139 2.312 -12.347 1.00 0.00 C ATOM 0 H LEU B1920 0.297 4.356 -8.163 1.00 0.00 H new ATOM 0 HA LEU B1920 1.959 4.013 -10.425 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.563 3.225 -9.590 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.938 4.349 -10.881 1.00 0.00 H new ATOM 0 HG LEU B1920 0.892 2.940 -12.199 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.783 0.556 -11.591 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.516 1.534 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU B1920 -0.166 0.972 -10.144 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -0.927 1.530 -13.076 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.943 1.985 -11.688 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.443 3.220 -12.867 1.00 0.00 H new