USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=13 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 -120:sc= -4.97 (180deg=-4.31!) USER MOD Set 1.2: B1919 TYR OH : rot 150:sc= -2.66 USER MOD Set 2.1: A 124 MET CE :methyl -160:sc= -4.6! (180deg=-6.88!) USER MOD Set 2.2: B1916 TYR OH : rot 6:sc= 0.217 USER MOD Set 3.1: A 107 HIS :FLIP no HD1:sc= -0.291 F(o=-2,f=-1.2) USER MOD Set 3.2: A 111 ASN : amide:sc= -0.925 K(o=-1.2,f=-2.6!) USER MOD Single : A 81 SER OG : rot 17:sc= 0.75 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -106:sc= -1.29 (180deg=-2.05) USER MOD Single : A 110 THR OG1 : rot -115:sc= 0.904 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -169:sc= -0.841 USER MOD Single : A 137 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.5) USER MOD Single : A 138 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 145 MET CE :methyl 171:sc= -3.09 (180deg=-3.41) USER MOD Single : B1908 SER OG : rot 70:sc= -2.7! USER MOD Single : B1913 GLN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.152 9.831 2.366 1.00 0.00 N ATOM 87 CA SER A 81 0.243 8.462 1.872 1.00 0.00 C ATOM 88 C SER A 81 1.292 7.668 2.643 1.00 0.00 C ATOM 89 O SER A 81 1.067 6.512 3.001 1.00 0.00 O ATOM 90 CB SER A 81 0.583 8.456 0.380 1.00 0.00 C ATOM 91 OG SER A 81 0.231 9.686 -0.229 1.00 0.00 O ATOM 0 HA SER A 81 -0.727 7.988 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.649 8.273 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.056 7.639 -0.113 1.00 0.00 H new ATOM 0 HG SER A 81 0.104 10.369 0.462 1.00 0.00 H new ATOM 97 N GLU A 82 2.441 8.290 2.886 1.00 0.00 N ATOM 98 CA GLU A 82 3.529 7.637 3.606 1.00 0.00 C ATOM 99 C GLU A 82 3.082 7.160 4.985 1.00 0.00 C ATOM 100 O GLU A 82 3.192 5.977 5.307 1.00 0.00 O ATOM 101 CB GLU A 82 4.716 8.593 3.745 1.00 0.00 C ATOM 102 CG GLU A 82 6.066 7.917 3.570 1.00 0.00 C ATOM 103 CD GLU A 82 7.223 8.817 3.957 1.00 0.00 C ATOM 104 OE1 GLU A 82 6.994 9.788 4.708 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.358 8.551 3.508 1.00 0.00 O ATOM 0 H GLU A 82 2.643 9.246 2.595 1.00 0.00 H new ATOM 0 HA GLU A 82 3.832 6.763 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.619 9.389 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.679 9.064 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.096 7.012 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.182 7.609 2.531 1.00 0.00 H new ATOM 112 N GLU A 83 2.587 8.087 5.798 1.00 0.00 N ATOM 113 CA GLU A 83 2.135 7.760 7.146 1.00 0.00 C ATOM 114 C GLU A 83 0.950 6.800 7.121 1.00 0.00 C ATOM 115 O GLU A 83 0.891 5.854 7.907 1.00 0.00 O ATOM 116 CB GLU A 83 1.754 9.036 7.899 1.00 0.00 C ATOM 117 CG GLU A 83 1.552 8.826 9.390 1.00 0.00 C ATOM 118 CD GLU A 83 1.536 10.129 10.165 1.00 0.00 C ATOM 119 OE1 GLU A 83 0.629 10.954 9.922 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 2.430 10.326 11.014 1.00 0.00 O ATOM 0 H GLU A 83 2.488 9.071 5.547 1.00 0.00 H new ATOM 0 HA GLU A 83 2.959 7.267 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.533 9.783 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.837 9.441 7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.613 8.298 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.348 8.188 9.775 1.00 0.00 H new ATOM 127 N GLU A 84 0.005 7.051 6.222 1.00 0.00 N ATOM 128 CA GLU A 84 -1.181 6.209 6.106 1.00 0.00 C ATOM 129 C GLU A 84 -0.820 4.823 5.580 1.00 0.00 C ATOM 130 O GLU A 84 -1.421 3.823 5.971 1.00 0.00 O ATOM 131 CB GLU A 84 -2.208 6.865 5.182 1.00 0.00 C ATOM 132 CG GLU A 84 -2.897 8.072 5.798 1.00 0.00 C ATOM 133 CD GLU A 84 -3.974 8.649 4.900 1.00 0.00 C ATOM 134 OE1 GLU A 84 -3.848 8.520 3.664 1.00 0.00 O ATOM 135 OE2 GLU A 84 -4.943 9.229 5.433 1.00 0.00 O1- ATOM 0 H GLU A 84 0.036 7.829 5.564 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.613 6.097 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.712 7.171 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.962 6.127 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.339 7.786 6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.154 8.841 6.009 1.00 0.00 H new ATOM 142 N LEU A 85 0.163 4.775 4.688 1.00 0.00 N ATOM 143 CA LEU A 85 0.608 3.517 4.101 1.00 0.00 C ATOM 144 C LEU A 85 1.343 2.669 5.135 1.00 0.00 C ATOM 145 O LEU A 85 1.063 1.480 5.287 1.00 0.00 O ATOM 146 CB LEU A 85 1.497 3.804 2.887 1.00 0.00 C ATOM 147 CG LEU A 85 2.306 2.623 2.344 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.404 1.429 2.083 1.00 0.00 C ATOM 149 CD2 LEU A 85 3.036 3.024 1.071 1.00 0.00 C ATOM 0 H LEU A 85 0.668 5.596 4.355 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.261 2.949 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.866 4.185 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.191 4.601 3.152 1.00 0.00 H new ATOM 0 HG LEU A 85 3.043 2.337 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.999 0.601 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.922 1.127 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.643 1.701 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.607 2.175 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.311 3.335 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.713 3.851 1.285 1.00 0.00 H new ATOM 161 N ILE A 86 2.277 3.287 5.849 1.00 0.00 N ATOM 162 CA ILE A 86 3.040 2.584 6.872 1.00 0.00 C ATOM 163 C ILE A 86 2.119 2.077 7.977 1.00 0.00 C ATOM 164 O ILE A 86 2.281 0.962 8.472 1.00 0.00 O ATOM 165 CB ILE A 86 4.125 3.492 7.485 1.00 0.00 C ATOM 166 CG1 ILE A 86 5.008 4.081 6.384 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.972 2.723 8.488 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.516 5.472 6.694 1.00 0.00 C ATOM 0 H ILE A 86 2.523 4.271 5.738 1.00 0.00 H new ATOM 0 HA ILE A 86 3.526 1.736 6.390 1.00 0.00 H new ATOM 0 HB ILE A 86 3.630 4.308 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.859 3.420 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.443 4.109 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.730 3.385 8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.336 2.347 9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.458 1.885 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.135 5.826 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.670 6.147 6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.109 5.447 7.608 1.00 0.00 H new ATOM 180 N GLU A 87 1.150 2.904 8.356 1.00 0.00 N ATOM 181 CA GLU A 87 0.199 2.543 9.401 1.00 0.00 C ATOM 182 C GLU A 87 -0.808 1.515 8.893 1.00 0.00 C ATOM 183 O GLU A 87 -1.112 0.536 9.576 1.00 0.00 O ATOM 184 CB GLU A 87 -0.536 3.788 9.903 1.00 0.00 C ATOM 185 CG GLU A 87 -1.382 3.537 11.140 1.00 0.00 C ATOM 186 CD GLU A 87 -2.296 4.702 11.466 1.00 0.00 C ATOM 187 OE1 GLU A 87 -1.779 5.811 11.716 1.00 0.00 O1- ATOM 188 OE2 GLU A 87 -3.530 4.504 11.473 1.00 0.00 O ATOM 0 H GLU A 87 1.003 3.830 7.954 1.00 0.00 H new ATOM 0 HA GLU A 87 0.757 2.100 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.194 4.566 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.176 4.168 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.982 2.640 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.728 3.344 11.990 1.00 0.00 H new ATOM 195 N ALA A 88 -1.323 1.748 7.691 1.00 0.00 N ATOM 196 CA ALA A 88 -2.300 0.846 7.092 1.00 0.00 C ATOM 197 C ALA A 88 -1.720 -0.553 6.923 1.00 0.00 C ATOM 198 O ALA A 88 -2.389 -1.549 7.197 1.00 0.00 O ATOM 199 CB ALA A 88 -2.769 1.391 5.752 1.00 0.00 C ATOM 0 H ALA A 88 -1.081 2.553 7.113 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.156 0.778 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.498 0.708 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.230 2.368 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.916 1.488 5.080 1.00 0.00 H new ATOM 205 N PHE A 89 -0.470 -0.623 6.477 1.00 0.00 N ATOM 206 CA PHE A 89 0.195 -1.905 6.282 1.00 0.00 C ATOM 207 C PHE A 89 0.502 -2.552 7.629 1.00 0.00 C ATOM 208 O PHE A 89 0.420 -3.772 7.776 1.00 0.00 O ATOM 209 CB PHE A 89 1.482 -1.728 5.471 1.00 0.00 C ATOM 210 CG PHE A 89 1.383 -2.182 4.041 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.672 -3.322 3.696 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.015 -1.466 3.038 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.594 -3.736 2.380 1.00 0.00 C ATOM 214 CE2 PHE A 89 1.940 -1.875 1.721 1.00 0.00 C ATOM 215 CZ PHE A 89 1.229 -3.012 1.390 1.00 0.00 C ATOM 0 H PHE A 89 0.101 0.190 6.245 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.475 -2.559 5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.765 -0.675 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.284 -2.281 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.173 -3.893 4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.574 -0.576 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.037 -4.625 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.437 -1.306 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.170 -3.334 0.361 1.00 0.00 H new ATOM 225 N LYS A 90 0.854 -1.726 8.611 1.00 0.00 N ATOM 226 CA LYS A 90 1.171 -2.211 9.951 1.00 0.00 C ATOM 227 C LYS A 90 0.046 -3.087 10.494 1.00 0.00 C ATOM 228 O LYS A 90 0.292 -4.090 11.165 1.00 0.00 O ATOM 229 CB LYS A 90 1.419 -1.034 10.897 1.00 0.00 C ATOM 230 CG LYS A 90 2.536 -1.282 11.897 1.00 0.00 C ATOM 231 CD LYS A 90 2.822 -0.044 12.732 1.00 0.00 C ATOM 232 CE LYS A 90 4.312 0.134 12.974 1.00 0.00 C ATOM 233 NZ LYS A 90 4.589 1.208 13.967 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.927 -0.714 8.503 1.00 0.00 H new ATOM 0 HA LYS A 90 2.077 -2.814 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.660 -0.149 10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.499 -0.815 11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.262 -2.109 12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.440 -1.582 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.427 0.837 12.226 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.304 -0.121 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.737 -0.805 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.807 0.374 12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.616 1.298 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.206 2.110 13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.139 0.968 14.873 1.00 0.00 H new ATOM 247 N VAL A 91 -1.189 -2.704 10.188 1.00 0.00 N ATOM 248 CA VAL A 91 -2.355 -3.458 10.632 1.00 0.00 C ATOM 249 C VAL A 91 -2.308 -4.894 10.119 1.00 0.00 C ATOM 250 O VAL A 91 -2.852 -5.804 10.745 1.00 0.00 O ATOM 251 CB VAL A 91 -3.664 -2.799 10.157 1.00 0.00 C ATOM 252 CG1 VAL A 91 -4.868 -3.482 10.787 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.658 -1.311 10.475 1.00 0.00 C ATOM 0 H VAL A 91 -1.408 -1.876 9.634 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.333 -3.462 11.722 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.736 -2.916 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.782 -3.002 10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.880 -4.534 10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.806 -3.400 11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.590 -0.862 10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.561 -1.169 11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.818 -0.834 9.969 1.00 0.00 H new ATOM 263 N PHE A 92 -1.655 -5.092 8.978 1.00 0.00 N ATOM 264 CA PHE A 92 -1.535 -6.418 8.384 1.00 0.00 C ATOM 265 C PHE A 92 -0.133 -6.984 8.587 1.00 0.00 C ATOM 266 O PHE A 92 0.350 -7.773 7.775 1.00 0.00 O ATOM 267 CB PHE A 92 -1.860 -6.361 6.890 1.00 0.00 C ATOM 268 CG PHE A 92 -3.298 -6.038 6.598 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.301 -6.942 6.909 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.645 -4.832 6.013 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.624 -6.647 6.642 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.966 -4.531 5.743 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.958 -5.440 6.058 1.00 0.00 C ATOM 0 H PHE A 92 -1.201 -4.350 8.446 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.248 -7.075 8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.225 -5.612 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.613 -7.321 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.046 -7.887 7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.874 -4.118 5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.397 -7.360 6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.223 -3.587 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.992 -5.208 5.848 1.00 0.00 H new ATOM 352 N GLY A 98 7.883 -5.635 10.344 1.00 0.00 N ATOM 353 CA GLY A 98 7.181 -4.726 9.458 1.00 0.00 C ATOM 354 C GLY A 98 7.162 -5.215 8.023 1.00 0.00 C ATOM 355 O GLY A 98 7.613 -4.515 7.116 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.157 -4.600 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.655 -3.745 9.498 1.00 0.00 H new ATOM 359 N LEU A 99 6.638 -6.418 7.817 1.00 0.00 N ATOM 360 CA LEU A 99 6.561 -7.000 6.482 1.00 0.00 C ATOM 361 C LEU A 99 5.164 -7.546 6.206 1.00 0.00 C ATOM 362 O LEU A 99 4.378 -7.761 7.129 1.00 0.00 O ATOM 363 CB LEU A 99 7.598 -8.115 6.329 1.00 0.00 C ATOM 364 CG LEU A 99 9.049 -7.685 6.553 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.419 -7.802 8.023 1.00 0.00 C ATOM 366 CD2 LEU A 99 9.989 -8.519 5.696 1.00 0.00 C ATOM 0 H LEU A 99 6.260 -7.009 8.557 1.00 0.00 H new ATOM 0 HA LEU A 99 6.773 -6.214 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.359 -8.912 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.510 -8.537 5.328 1.00 0.00 H new ATOM 0 HG LEU A 99 9.149 -6.641 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.455 -7.492 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.765 -7.162 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.303 -8.837 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.017 -8.200 5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.886 -9.571 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.738 -8.384 4.644 1.00 0.00 H new ATOM 378 N ILE A 100 4.861 -7.769 4.931 1.00 0.00 N ATOM 379 CA ILE A 100 3.558 -8.289 4.536 1.00 0.00 C ATOM 380 C ILE A 100 3.694 -9.308 3.408 1.00 0.00 C ATOM 381 O ILE A 100 4.563 -9.180 2.545 1.00 0.00 O ATOM 382 CB ILE A 100 2.610 -7.154 4.101 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.207 -7.702 3.836 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.148 -6.434 2.873 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.102 -6.744 4.222 1.00 0.00 C ATOM 0 H ILE A 100 5.500 -7.598 4.155 1.00 0.00 H new ATOM 0 HA ILE A 100 3.130 -8.783 5.408 1.00 0.00 H new ATOM 0 HB ILE A 100 2.550 -6.430 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.114 -7.944 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.079 -8.633 4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.460 -5.638 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.124 -6.006 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.246 -7.142 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.865 -7.198 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.169 -6.521 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.205 -5.821 3.651 1.00 0.00 H new ATOM 397 N SER A 101 2.833 -10.320 3.423 1.00 0.00 N ATOM 398 CA SER A 101 2.860 -11.363 2.403 1.00 0.00 C ATOM 399 C SER A 101 2.060 -10.946 1.174 1.00 0.00 C ATOM 400 O SER A 101 0.886 -10.590 1.277 1.00 0.00 O ATOM 401 CB SER A 101 2.304 -12.672 2.967 1.00 0.00 C ATOM 402 OG SER A 101 3.329 -13.445 3.566 1.00 0.00 O ATOM 0 H SER A 101 2.108 -10.440 4.130 1.00 0.00 H new ATOM 0 HA SER A 101 3.897 -11.515 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.530 -12.455 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.832 -13.244 2.168 1.00 0.00 H new ATOM 0 HG SER A 101 2.948 -14.275 3.920 1.00 0.00 H new ATOM 408 N ALA A 102 2.703 -10.992 0.011 1.00 0.00 N ATOM 409 CA ALA A 102 2.052 -10.619 -1.239 1.00 0.00 C ATOM 410 C ALA A 102 0.948 -11.606 -1.603 1.00 0.00 C ATOM 411 O ALA A 102 -0.075 -11.225 -2.172 1.00 0.00 O ATOM 412 CB ALA A 102 3.078 -10.530 -2.360 1.00 0.00 C ATOM 0 H ALA A 102 3.675 -11.284 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 102 1.592 -9.640 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.579 -10.251 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.826 -9.778 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.564 -11.497 -2.486 1.00 0.00 H new ATOM 418 N ALA A 103 1.162 -12.876 -1.275 1.00 0.00 N ATOM 419 CA ALA A 103 0.184 -13.917 -1.571 1.00 0.00 C ATOM 420 C ALA A 103 -1.161 -13.613 -0.921 1.00 0.00 C ATOM 421 O ALA A 103 -2.195 -13.599 -1.588 1.00 0.00 O ATOM 422 CB ALA A 103 0.701 -15.272 -1.109 1.00 0.00 C ATOM 0 H ALA A 103 2.003 -13.209 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 103 0.036 -13.943 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.038 -16.040 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.633 -15.501 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.879 -15.246 -0.034 1.00 0.00 H new ATOM 428 N GLU A 104 -1.140 -13.368 0.385 1.00 0.00 N ATOM 429 CA GLU A 104 -2.359 -13.061 1.124 1.00 0.00 C ATOM 430 C GLU A 104 -2.784 -11.615 0.895 1.00 0.00 C ATOM 431 O GLU A 104 -3.973 -11.315 0.793 1.00 0.00 O ATOM 432 CB GLU A 104 -2.151 -13.312 2.619 1.00 0.00 C ATOM 433 CG GLU A 104 -1.836 -14.760 2.954 1.00 0.00 C ATOM 434 CD GLU A 104 -1.877 -15.036 4.444 1.00 0.00 C ATOM 435 OE1 GLU A 104 -2.703 -14.410 5.141 1.00 0.00 O1- ATOM 436 OE2 GLU A 104 -1.083 -15.878 4.914 1.00 0.00 O ATOM 0 H GLU A 104 -0.293 -13.376 0.953 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.150 -13.716 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.338 -12.680 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.049 -13.010 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.550 -15.410 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.848 -15.011 2.569 1.00 0.00 H new ATOM 443 N LEU A 105 -1.802 -10.722 0.817 1.00 0.00 N ATOM 444 CA LEU A 105 -2.070 -9.304 0.603 1.00 0.00 C ATOM 445 C LEU A 105 -2.852 -9.079 -0.687 1.00 0.00 C ATOM 446 O LEU A 105 -3.625 -8.128 -0.797 1.00 0.00 O ATOM 447 CB LEU A 105 -0.757 -8.519 0.556 1.00 0.00 C ATOM 448 CG LEU A 105 -0.910 -7.019 0.298 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.861 -6.399 1.310 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.446 -6.331 0.346 1.00 0.00 C ATOM 0 H LEU A 105 -0.813 -10.956 0.899 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.675 -8.948 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.234 -8.658 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.125 -8.944 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.331 -6.880 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.958 -5.332 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.839 -6.874 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.469 -6.547 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.320 -5.264 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.894 -6.478 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.097 -6.757 -0.417 1.00 0.00 H new ATOM 462 N ARG A 106 -2.643 -9.956 -1.663 1.00 0.00 N ATOM 463 CA ARG A 106 -3.327 -9.846 -2.946 1.00 0.00 C ATOM 464 C ARG A 106 -4.829 -10.063 -2.786 1.00 0.00 C ATOM 465 O ARG A 106 -5.632 -9.250 -3.242 1.00 0.00 O ATOM 466 CB ARG A 106 -2.755 -10.859 -3.939 1.00 0.00 C ATOM 467 CG ARG A 106 -3.425 -10.824 -5.304 1.00 0.00 C ATOM 468 CD ARG A 106 -2.410 -10.893 -6.434 1.00 0.00 C ATOM 469 NE ARG A 106 -2.881 -11.720 -7.543 1.00 0.00 N ATOM 470 CZ ARG A 106 -3.079 -13.033 -7.464 1.00 0.00 C ATOM 471 NH1 ARG A 106 -2.850 -13.685 -6.331 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -3.510 -13.700 -8.525 1.00 0.00 N ATOM 0 H ARG A 106 -2.006 -10.750 -1.590 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.165 -8.839 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.689 -10.670 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.855 -11.861 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.120 -11.659 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.011 -9.910 -5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.201 -9.886 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.471 -11.296 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.070 -11.261 -8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.519 -13.179 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.005 -14.692 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.689 -13.207 -9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.663 -14.707 -8.467 1.00 0.00 H new ATOM 486 N HIS A 107 -5.200 -11.163 -2.140 1.00 0.00 N ATOM 487 CA HIS A 107 -6.607 -11.487 -1.929 1.00 0.00 C ATOM 488 C HIS A 107 -7.277 -10.469 -1.013 1.00 0.00 C ATOM 489 O HIS A 107 -8.427 -10.087 -1.229 1.00 0.00 O ATOM 490 CB HIS A 107 -6.741 -12.891 -1.336 1.00 0.00 C ATOM 491 CG HIS A 107 -8.160 -13.324 -1.133 1.00 0.00 C ATOM 492 ND1 HIS A 107 -9.140 -12.809 -0.354 1.00 0.00 N flip ATOM 493 CD2 HIS A 107 -8.714 -14.411 -1.774 1.00 0.00 C flip ATOM 494 CE1 HIS A 107 -10.257 -13.587 -0.537 1.00 0.00 C flip ATOM 495 NE2 HIS A 107 -9.974 -14.547 -1.399 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.547 -11.845 -1.754 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.108 -11.455 -2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.243 -13.603 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.220 -12.923 -0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.199 -15.052 -2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.212 -13.438 -0.054 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.618 -15.270 -1.720 1.00 0.00 H new ATOM 504 N VAL A 108 -6.555 -10.039 0.016 1.00 0.00 N ATOM 505 CA VAL A 108 -7.081 -9.072 0.972 1.00 0.00 C ATOM 506 C VAL A 108 -7.496 -7.774 0.286 1.00 0.00 C ATOM 507 O VAL A 108 -8.666 -7.391 0.316 1.00 0.00 O ATOM 508 CB VAL A 108 -6.047 -8.757 2.070 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.652 -7.864 3.144 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.500 -10.039 2.681 1.00 0.00 C ATOM 0 H VAL A 108 -5.602 -10.346 0.209 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.961 -9.526 1.427 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.218 -8.219 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.903 -7.655 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.983 -6.928 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.504 -8.369 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.772 -9.792 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.317 -10.610 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.018 -10.635 1.906 1.00 0.00 H new ATOM 520 N MET A 109 -6.528 -7.092 -0.316 1.00 0.00 N ATOM 521 CA MET A 109 -6.785 -5.825 -0.991 1.00 0.00 C ATOM 522 C MET A 109 -7.780 -5.981 -2.140 1.00 0.00 C ATOM 523 O MET A 109 -8.728 -5.205 -2.255 1.00 0.00 O ATOM 524 CB MET A 109 -5.470 -5.228 -1.499 1.00 0.00 C ATOM 525 CG MET A 109 -5.113 -3.905 -0.839 1.00 0.00 C ATOM 526 SD MET A 109 -3.811 -4.066 0.399 1.00 0.00 S ATOM 527 CE MET A 109 -4.781 -4.208 1.898 1.00 0.00 C ATOM 0 H MET A 109 -5.555 -7.396 -0.350 1.00 0.00 H new ATOM 0 HA MET A 109 -7.234 -5.146 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.664 -5.941 -1.325 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.539 -5.081 -2.577 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.794 -3.198 -1.604 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.004 -3.487 -0.370 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.720 -3.276 2.461 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.821 -4.409 1.641 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.393 -5.025 2.506 1.00 0.00 H new ATOM 537 N THR A 110 -7.559 -6.976 -2.995 1.00 0.00 N ATOM 538 CA THR A 110 -8.440 -7.207 -4.135 1.00 0.00 C ATOM 539 C THR A 110 -9.862 -7.526 -3.685 1.00 0.00 C ATOM 540 O THR A 110 -10.831 -7.069 -4.291 1.00 0.00 O ATOM 541 CB THR A 110 -7.901 -8.338 -5.011 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.852 -9.556 -4.289 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.515 -8.061 -5.551 1.00 0.00 C ATOM 0 H THR A 110 -6.781 -7.632 -2.921 1.00 0.00 H new ATOM 0 HA THR A 110 -8.468 -6.288 -4.720 1.00 0.00 H new ATOM 0 HB THR A 110 -8.593 -8.411 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.919 -9.838 -4.187 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.189 -8.901 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.535 -7.155 -6.157 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.821 -7.927 -4.721 1.00 0.00 H new ATOM 551 N ASN A 111 -9.982 -8.313 -2.622 1.00 0.00 N ATOM 552 CA ASN A 111 -11.291 -8.689 -2.101 1.00 0.00 C ATOM 553 C ASN A 111 -11.982 -7.516 -1.412 1.00 0.00 C ATOM 554 O ASN A 111 -13.191 -7.555 -1.183 1.00 0.00 O ATOM 555 CB ASN A 111 -11.156 -9.858 -1.122 1.00 0.00 C ATOM 556 CG ASN A 111 -12.500 -10.417 -0.700 1.00 0.00 C ATOM 557 OD1 ASN A 111 -13.541 -10.033 -1.234 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.484 -11.330 0.264 1.00 0.00 N ATOM 0 H ASN A 111 -9.193 -8.702 -2.106 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.906 -8.993 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.566 -10.649 -1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.610 -9.527 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.358 -11.743 0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.598 -11.619 0.678 1.00 0.00 H new ATOM 565 N LEU A 112 -11.223 -6.478 -1.068 1.00 0.00 N ATOM 566 CA LEU A 112 -11.792 -5.316 -0.394 1.00 0.00 C ATOM 567 C LEU A 112 -11.699 -4.054 -1.246 1.00 0.00 C ATOM 568 O LEU A 112 -11.234 -4.081 -2.390 1.00 0.00 O ATOM 569 CB LEU A 112 -11.095 -5.091 0.949 1.00 0.00 C ATOM 570 CG LEU A 112 -9.605 -4.761 0.860 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.398 -3.261 0.718 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.876 -5.292 2.084 1.00 0.00 C ATOM 0 H LEU A 112 -10.220 -6.418 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.849 -5.523 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.600 -4.279 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.217 -5.986 1.558 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.192 -5.245 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.331 -3.045 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.892 -2.910 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.822 -2.752 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.816 -5.051 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.290 -4.833 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.999 -6.374 2.140 1.00 0.00 H new ATOM 584 N GLY A 113 -12.157 -2.948 -0.663 1.00 0.00 N ATOM 585 CA GLY A 113 -12.143 -1.671 -1.350 1.00 0.00 C ATOM 586 C GLY A 113 -13.068 -1.671 -2.549 1.00 0.00 C ATOM 587 O GLY A 113 -14.194 -2.161 -2.472 1.00 0.00 O ATOM 0 H GLY A 113 -12.540 -2.917 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.442 -0.883 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.127 -1.443 -1.674 1.00 0.00 H new ATOM 591 N GLU A 114 -12.585 -1.144 -3.668 1.00 0.00 N ATOM 592 CA GLU A 114 -13.371 -1.113 -4.894 1.00 0.00 C ATOM 593 C GLU A 114 -12.969 -2.282 -5.786 1.00 0.00 C ATOM 594 O GLU A 114 -12.808 -2.131 -6.997 1.00 0.00 O ATOM 595 CB GLU A 114 -13.165 0.213 -5.630 1.00 0.00 C ATOM 596 CG GLU A 114 -11.707 0.629 -5.734 1.00 0.00 C ATOM 597 CD GLU A 114 -11.476 1.682 -6.800 1.00 0.00 C ATOM 598 OE1 GLU A 114 -11.973 2.816 -6.631 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.798 1.374 -7.802 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.655 -0.733 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.428 -1.201 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.584 0.131 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.722 0.996 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.373 1.014 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.098 -0.247 -5.956 1.00 0.00 H new ATOM 606 N LYS A 115 -12.789 -3.445 -5.167 1.00 0.00 N ATOM 607 CA LYS A 115 -12.382 -4.644 -5.888 1.00 0.00 C ATOM 608 C LYS A 115 -11.019 -4.424 -6.535 1.00 0.00 C ATOM 609 O LYS A 115 -10.891 -4.430 -7.760 1.00 0.00 O ATOM 610 CB LYS A 115 -13.424 -5.014 -6.946 1.00 0.00 C ATOM 611 CG LYS A 115 -14.721 -5.548 -6.360 1.00 0.00 C ATOM 612 CD LYS A 115 -14.479 -6.781 -5.504 1.00 0.00 C ATOM 613 CE LYS A 115 -15.582 -7.811 -5.688 1.00 0.00 C ATOM 614 NZ LYS A 115 -15.455 -8.939 -4.724 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.919 -3.581 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.307 -5.470 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.643 -4.135 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.001 -5.764 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.196 -4.773 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.412 -5.793 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.518 -7.224 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.421 -6.491 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.552 -7.331 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.551 -8.198 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.226 -9.619 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.540 -9.414 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.511 -8.573 -3.752 1.00 0.00 H new ATOM 628 N LEU A 116 -10.000 -4.216 -5.704 1.00 0.00 N ATOM 629 CA LEU A 116 -8.645 -3.978 -6.200 1.00 0.00 C ATOM 630 C LEU A 116 -8.240 -5.010 -7.251 1.00 0.00 C ATOM 631 O LEU A 116 -8.216 -6.211 -6.983 1.00 0.00 O ATOM 632 CB LEU A 116 -7.641 -3.979 -5.044 1.00 0.00 C ATOM 633 CG LEU A 116 -6.615 -2.845 -5.079 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.639 -2.979 -3.921 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.867 -2.840 -6.403 1.00 0.00 C ATOM 0 H LEU A 116 -10.085 -4.207 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.638 -2.997 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.191 -3.922 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.109 -4.930 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.146 -1.898 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.915 -2.165 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.185 -2.935 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.117 -3.933 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.142 -2.026 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.348 -3.790 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.575 -2.701 -7.220 1.00 0.00 H new ATOM 647 N THR A 117 -7.936 -4.528 -8.453 1.00 0.00 N ATOM 648 CA THR A 117 -7.544 -5.394 -9.559 1.00 0.00 C ATOM 649 C THR A 117 -6.354 -6.275 -9.193 1.00 0.00 C ATOM 650 O THR A 117 -5.463 -5.860 -8.450 1.00 0.00 O ATOM 651 CB THR A 117 -7.208 -4.555 -10.793 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.407 -3.441 -10.439 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.432 -4.030 -11.511 1.00 0.00 C ATOM 0 H THR A 117 -7.954 -3.535 -8.686 1.00 0.00 H new ATOM 0 HA THR A 117 -8.389 -6.046 -9.780 1.00 0.00 H new ATOM 0 HB THR A 117 -6.674 -5.228 -11.464 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.347 -2.826 -11.200 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.123 -3.444 -12.376 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.047 -4.867 -11.841 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.009 -3.401 -10.834 1.00 0.00 H new ATOM 661 N ASP A 118 -6.349 -7.493 -9.724 1.00 0.00 N ATOM 662 CA ASP A 118 -5.274 -8.443 -9.464 1.00 0.00 C ATOM 663 C ASP A 118 -3.974 -8.004 -10.131 1.00 0.00 C ATOM 664 O ASP A 118 -2.884 -8.314 -9.650 1.00 0.00 O ATOM 665 CB ASP A 118 -5.668 -9.836 -9.961 1.00 0.00 C ATOM 666 CG ASP A 118 -6.386 -10.646 -8.900 1.00 0.00 C ATOM 667 OD1 ASP A 118 -6.224 -10.332 -7.702 1.00 0.00 O ATOM 668 OD2 ASP A 118 -7.112 -11.594 -9.267 1.00 0.00 O1- ATOM 0 H ASP A 118 -7.081 -7.847 -10.340 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.111 -8.476 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.310 -9.738 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.774 -10.371 -10.280 1.00 0.00 H new ATOM 673 N ASP A 119 -4.093 -7.286 -11.243 1.00 0.00 N ATOM 674 CA ASP A 119 -2.925 -6.813 -11.976 1.00 0.00 C ATOM 675 C ASP A 119 -2.246 -5.657 -11.249 1.00 0.00 C ATOM 676 O ASP A 119 -1.026 -5.650 -11.079 1.00 0.00 O ATOM 677 CB ASP A 119 -3.325 -6.377 -13.387 1.00 0.00 C ATOM 678 CG ASP A 119 -2.123 -6.126 -14.277 1.00 0.00 C ATOM 679 OD1 ASP A 119 -1.117 -6.852 -14.135 1.00 0.00 O ATOM 680 OD2 ASP A 119 -2.188 -5.203 -15.116 1.00 0.00 O1- ATOM 0 H ASP A 119 -4.987 -7.019 -11.656 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.216 -7.638 -12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -3.953 -7.146 -13.837 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -3.925 -5.469 -13.327 1.00 0.00 H new ATOM 685 N GLU A 120 -3.039 -4.678 -10.828 1.00 0.00 N ATOM 686 CA GLU A 120 -2.510 -3.514 -10.126 1.00 0.00 C ATOM 687 C GLU A 120 -1.796 -3.924 -8.841 1.00 0.00 C ATOM 688 O GLU A 120 -0.752 -3.371 -8.496 1.00 0.00 O ATOM 689 CB GLU A 120 -3.637 -2.531 -9.803 1.00 0.00 C ATOM 690 CG GLU A 120 -3.152 -1.114 -9.545 1.00 0.00 C ATOM 691 CD GLU A 120 -4.252 -0.205 -9.032 1.00 0.00 C ATOM 692 OE1 GLU A 120 -4.663 -0.372 -7.864 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -4.702 0.673 -9.797 1.00 0.00 O ATOM 0 H GLU A 120 -4.050 -4.667 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.787 -3.028 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.346 -2.519 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.178 -2.886 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.339 -1.139 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.744 -0.700 -10.467 1.00 0.00 H new ATOM 700 N VAL A 121 -2.366 -4.897 -8.137 1.00 0.00 N ATOM 701 CA VAL A 121 -1.783 -5.379 -6.891 1.00 0.00 C ATOM 702 C VAL A 121 -0.485 -6.136 -7.151 1.00 0.00 C ATOM 703 O VAL A 121 0.432 -6.112 -6.330 1.00 0.00 O ATOM 704 CB VAL A 121 -2.768 -6.286 -6.127 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.146 -7.494 -6.969 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.188 -6.716 -4.788 1.00 0.00 C ATOM 0 H VAL A 121 -3.230 -5.366 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.565 -4.505 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.673 -5.712 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.842 -8.122 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.618 -7.160 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.250 -8.067 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.903 -7.355 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.262 -7.267 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.982 -5.835 -4.181 1.00 0.00 H new ATOM 716 N ASP A 122 -0.417 -6.810 -8.295 1.00 0.00 N ATOM 717 CA ASP A 122 0.766 -7.580 -8.663 1.00 0.00 C ATOM 718 C ASP A 122 1.965 -6.672 -8.921 1.00 0.00 C ATOM 719 O ASP A 122 3.110 -7.065 -8.696 1.00 0.00 O ATOM 720 CB ASP A 122 0.479 -8.427 -9.904 1.00 0.00 C ATOM 721 CG ASP A 122 1.157 -9.782 -9.849 1.00 0.00 C ATOM 722 OD1 ASP A 122 0.607 -10.694 -9.196 1.00 0.00 O ATOM 723 OD2 ASP A 122 2.237 -9.931 -10.458 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.169 -6.838 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 122 1.011 -8.234 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.597 -8.566 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.815 -7.891 -10.792 1.00 0.00 H new ATOM 728 N GLU A 123 1.700 -5.462 -9.403 1.00 0.00 N ATOM 729 CA GLU A 123 2.764 -4.509 -9.698 1.00 0.00 C ATOM 730 C GLU A 123 3.327 -3.891 -8.422 1.00 0.00 C ATOM 731 O GLU A 123 4.538 -3.891 -8.202 1.00 0.00 O ATOM 732 CB GLU A 123 2.245 -3.407 -10.624 1.00 0.00 C ATOM 733 CG GLU A 123 3.348 -2.560 -11.237 1.00 0.00 C ATOM 734 CD GLU A 123 3.829 -3.104 -12.568 1.00 0.00 C ATOM 735 OE1 GLU A 123 3.735 -4.332 -12.776 1.00 0.00 O ATOM 736 OE2 GLU A 123 4.299 -2.302 -13.402 1.00 0.00 O1- ATOM 0 H GLU A 123 0.759 -5.119 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 123 3.568 -5.051 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.660 -3.861 -11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.570 -2.760 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.985 -1.542 -11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.188 -2.508 -10.545 1.00 0.00 H new ATOM 743 N MET A 124 2.439 -3.360 -7.588 1.00 0.00 N ATOM 744 CA MET A 124 2.840 -2.730 -6.335 1.00 0.00 C ATOM 745 C MET A 124 3.636 -3.688 -5.454 1.00 0.00 C ATOM 746 O MET A 124 4.603 -3.289 -4.804 1.00 0.00 O ATOM 747 CB MET A 124 1.604 -2.241 -5.582 1.00 0.00 C ATOM 748 CG MET A 124 0.574 -3.333 -5.349 1.00 0.00 C ATOM 749 SD MET A 124 -0.858 -2.753 -4.419 1.00 0.00 S ATOM 750 CE MET A 124 -0.834 -3.883 -3.030 1.00 0.00 C ATOM 0 H MET A 124 1.433 -3.354 -7.758 1.00 0.00 H new ATOM 0 HA MET A 124 3.483 -1.884 -6.577 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.911 -1.829 -4.621 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.142 -1.429 -6.143 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.243 -3.725 -6.310 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.041 -4.158 -4.812 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.818 -3.904 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.577 -4.883 -3.379 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.092 -3.551 -2.303 1.00 0.00 H new ATOM 760 N ILE A 125 3.219 -4.949 -5.424 1.00 0.00 N ATOM 761 CA ILE A 125 3.889 -5.956 -4.610 1.00 0.00 C ATOM 762 C ILE A 125 5.226 -6.374 -5.216 1.00 0.00 C ATOM 763 O ILE A 125 6.170 -6.698 -4.495 1.00 0.00 O ATOM 764 CB ILE A 125 2.997 -7.200 -4.414 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.767 -7.920 -5.747 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.673 -6.804 -3.772 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.826 -9.102 -5.651 1.00 0.00 C ATOM 0 H ILE A 125 2.420 -5.298 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 125 4.078 -5.499 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 125 3.509 -7.892 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.368 -7.208 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.727 -8.263 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.053 -7.691 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.862 -6.345 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.155 -6.092 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.714 -9.559 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.233 -9.835 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.853 -8.764 -5.295 1.00 0.00 H new ATOM 779 N ARG A 126 5.298 -6.371 -6.543 1.00 0.00 N ATOM 780 CA ARG A 126 6.517 -6.757 -7.243 1.00 0.00 C ATOM 781 C ARG A 126 7.637 -5.752 -6.992 1.00 0.00 C ATOM 782 O ARG A 126 8.792 -6.131 -6.799 1.00 0.00 O ATOM 783 CB ARG A 126 6.253 -6.877 -8.745 1.00 0.00 C ATOM 784 CG ARG A 126 7.343 -7.624 -9.496 1.00 0.00 C ATOM 785 CD ARG A 126 7.445 -7.158 -10.940 1.00 0.00 C ATOM 786 NE ARG A 126 6.712 -8.035 -11.850 1.00 0.00 N ATOM 787 CZ ARG A 126 7.018 -9.311 -12.066 1.00 0.00 C ATOM 788 NH1 ARG A 126 8.046 -9.876 -11.444 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 6.292 -10.030 -12.912 1.00 0.00 N ATOM 0 H ARG A 126 4.526 -6.105 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 126 6.832 -7.726 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.302 -7.387 -8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.151 -5.878 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.300 -7.473 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.135 -8.694 -9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.056 -6.143 -11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.493 -7.122 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 126 5.915 -7.644 -12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.610 -9.330 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.271 -10.856 -11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.501 -9.604 -13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.525 -11.009 -13.079 1.00 0.00 H new ATOM 803 N GLU A 127 7.287 -4.471 -7.001 1.00 0.00 N ATOM 804 CA GLU A 127 8.263 -3.410 -6.778 1.00 0.00 C ATOM 805 C GLU A 127 8.569 -3.230 -5.293 1.00 0.00 C ATOM 806 O GLU A 127 9.606 -2.673 -4.934 1.00 0.00 O ATOM 807 CB GLU A 127 7.752 -2.093 -7.366 1.00 0.00 C ATOM 808 CG GLU A 127 8.827 -1.026 -7.493 1.00 0.00 C ATOM 809 CD GLU A 127 9.629 -1.156 -8.772 1.00 0.00 C ATOM 810 OE1 GLU A 127 10.428 -2.110 -8.878 1.00 0.00 O1- ATOM 811 OE2 GLU A 127 9.459 -0.303 -9.669 1.00 0.00 O ATOM 0 H GLU A 127 6.335 -4.142 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 127 9.187 -3.699 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.325 -2.286 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.947 -1.713 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.362 -0.041 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.500 -1.090 -6.638 1.00 0.00 H new ATOM 818 N ALA A 128 7.665 -3.689 -4.432 1.00 0.00 N ATOM 819 CA ALA A 128 7.855 -3.557 -2.993 1.00 0.00 C ATOM 820 C ALA A 128 9.113 -4.281 -2.522 1.00 0.00 C ATOM 821 O ALA A 128 9.950 -3.696 -1.835 1.00 0.00 O ATOM 822 CB ALA A 128 6.634 -4.080 -2.253 1.00 0.00 C ATOM 0 H ALA A 128 6.799 -4.153 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 128 7.982 -2.498 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.787 -3.976 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.755 -3.508 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.483 -5.131 -2.498 1.00 0.00 H new ATOM 828 N ASP A 129 9.248 -5.551 -2.895 1.00 0.00 N ATOM 829 CA ASP A 129 10.412 -6.347 -2.511 1.00 0.00 C ATOM 830 C ASP A 129 10.233 -7.813 -2.901 1.00 0.00 C ATOM 831 O ASP A 129 10.758 -8.259 -3.922 1.00 0.00 O ATOM 832 CB ASP A 129 10.687 -6.235 -1.006 1.00 0.00 C ATOM 833 CG ASP A 129 11.852 -5.314 -0.700 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.972 -5.596 -1.176 1.00 0.00 O ATOM 835 OD2 ASP A 129 11.645 -4.312 0.016 1.00 0.00 O1- ATOM 0 H ASP A 129 8.565 -6.052 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 129 11.270 -5.947 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.793 -5.866 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.895 -7.226 -0.602 1.00 0.00 H new ATOM 915 N ILE A 136 7.512 -8.842 2.381 1.00 0.00 N ATOM 916 CA ILE A 136 7.575 -7.512 1.788 1.00 0.00 C ATOM 917 C ILE A 136 7.558 -6.423 2.855 1.00 0.00 C ATOM 918 O ILE A 136 6.553 -6.222 3.536 1.00 0.00 O ATOM 919 CB ILE A 136 6.401 -7.276 0.819 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.281 -8.441 -0.165 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.579 -5.962 0.075 1.00 0.00 C ATOM 922 CD1 ILE A 136 4.966 -8.466 -0.912 1.00 0.00 C ATOM 0 HA ILE A 136 8.515 -7.460 1.238 1.00 0.00 H new ATOM 0 HB ILE A 136 5.480 -7.218 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.098 -8.384 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.399 -9.379 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.740 -5.812 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.617 -5.141 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.508 -5.990 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.950 -9.318 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.145 -8.554 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.854 -7.544 -1.483 1.00 0.00 H new ATOM 934 N ASN A 137 8.673 -5.710 2.986 1.00 0.00 N ATOM 935 CA ASN A 137 8.776 -4.631 3.960 1.00 0.00 C ATOM 936 C ASN A 137 8.023 -3.400 3.467 1.00 0.00 C ATOM 937 O ASN A 137 8.286 -2.898 2.374 1.00 0.00 O ATOM 938 CB ASN A 137 10.243 -4.281 4.215 1.00 0.00 C ATOM 939 CG ASN A 137 10.489 -3.823 5.639 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.683 -3.095 6.217 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.609 -4.250 6.212 1.00 0.00 N ATOM 0 H ASN A 137 9.515 -5.860 2.431 1.00 0.00 H new ATOM 0 HA ASN A 137 8.328 -4.966 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.863 -5.152 4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.551 -3.495 3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.829 -3.975 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.249 -4.853 5.695 1.00 0.00 H new ATOM 948 N TYR A 138 7.080 -2.921 4.271 1.00 0.00 N ATOM 949 CA TYR A 138 6.287 -1.754 3.902 1.00 0.00 C ATOM 950 C TYR A 138 7.053 -0.447 4.096 1.00 0.00 C ATOM 951 O TYR A 138 6.524 0.625 3.806 1.00 0.00 O ATOM 952 CB TYR A 138 4.985 -1.716 4.706 1.00 0.00 C ATOM 953 CG TYR A 138 5.172 -1.921 6.193 1.00 0.00 C ATOM 954 CD1 TYR A 138 5.906 -1.020 6.954 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.607 -3.015 6.837 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.074 -1.204 8.313 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.768 -3.205 8.196 1.00 0.00 C ATOM 958 CZ TYR A 138 5.503 -2.297 8.929 1.00 0.00 C ATOM 959 OH TYR A 138 5.667 -2.483 10.283 1.00 0.00 O ATOM 0 H TYR A 138 6.847 -3.321 5.180 1.00 0.00 H new ATOM 0 HA TYR A 138 6.059 -1.848 2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.496 -0.756 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.313 -2.485 4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.353 -0.161 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.032 -3.729 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.650 -0.495 8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.321 -4.060 8.682 1.00 0.00 H new ATOM 0 HH TYR A 138 5.761 -1.613 10.724 1.00 0.00 H new ATOM 969 N GLU A 139 8.291 -0.524 4.577 1.00 0.00 N ATOM 970 CA GLU A 139 9.100 0.670 4.791 1.00 0.00 C ATOM 971 C GLU A 139 9.823 1.064 3.509 1.00 0.00 C ATOM 972 O GLU A 139 9.884 2.241 3.154 1.00 0.00 O ATOM 973 CB GLU A 139 10.113 0.433 5.913 1.00 0.00 C ATOM 974 CG GLU A 139 10.666 1.715 6.515 1.00 0.00 C ATOM 975 CD GLU A 139 10.904 1.602 8.007 1.00 0.00 C ATOM 976 OE1 GLU A 139 9.913 1.510 8.762 1.00 0.00 O ATOM 977 OE2 GLU A 139 12.082 1.604 8.422 1.00 0.00 O1- ATOM 0 H GLU A 139 8.754 -1.398 4.825 1.00 0.00 H new ATOM 0 HA GLU A 139 8.437 1.485 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 139 9.640 -0.154 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.940 -0.162 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.603 1.970 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.971 2.532 6.322 1.00 0.00 H new ATOM 984 N GLU A 140 10.359 0.068 2.811 1.00 0.00 N ATOM 985 CA GLU A 140 11.065 0.306 1.559 1.00 0.00 C ATOM 986 C GLU A 140 10.062 0.577 0.444 1.00 0.00 C ATOM 987 O GLU A 140 10.281 1.432 -0.414 1.00 0.00 O ATOM 988 CB GLU A 140 11.939 -0.898 1.200 1.00 0.00 C ATOM 989 CG GLU A 140 13.360 -0.797 1.729 1.00 0.00 C ATOM 990 CD GLU A 140 14.191 -2.023 1.405 1.00 0.00 C ATOM 991 OE1 GLU A 140 14.097 -2.519 0.262 1.00 0.00 O ATOM 992 OE2 GLU A 140 14.937 -2.486 2.293 1.00 0.00 O1- ATOM 0 H GLU A 140 10.317 -0.912 3.092 1.00 0.00 H new ATOM 0 HA GLU A 140 11.710 1.177 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.477 -1.803 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.970 -1.003 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.840 0.085 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.332 -0.656 2.810 1.00 0.00 H new ATOM 999 N PHE A 141 8.952 -0.152 0.481 1.00 0.00 N ATOM 1000 CA PHE A 141 7.894 0.007 -0.508 1.00 0.00 C ATOM 1001 C PHE A 141 7.321 1.419 -0.435 1.00 0.00 C ATOM 1002 O PHE A 141 7.199 2.103 -1.451 1.00 0.00 O ATOM 1003 CB PHE A 141 6.804 -1.043 -0.274 1.00 0.00 C ATOM 1004 CG PHE A 141 5.565 -0.853 -1.103 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.613 -0.924 -2.486 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.349 -0.603 -0.491 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.469 -0.750 -3.242 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.202 -0.428 -1.240 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.262 -0.502 -2.619 1.00 0.00 C ATOM 0 H PHE A 141 8.762 -0.862 1.189 1.00 0.00 H new ATOM 0 HA PHE A 141 8.304 -0.142 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.217 -2.030 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.526 -1.030 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.554 -1.117 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.296 -0.544 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.519 -0.808 -4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.260 -0.234 -0.749 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.367 -0.366 -3.208 1.00 0.00 H new ATOM 1019 N VAL A 142 6.984 1.858 0.775 1.00 0.00 N ATOM 1020 CA VAL A 142 6.442 3.197 0.967 1.00 0.00 C ATOM 1021 C VAL A 142 7.511 4.247 0.687 1.00 0.00 C ATOM 1022 O VAL A 142 7.218 5.330 0.181 1.00 0.00 O ATOM 1023 CB VAL A 142 5.889 3.396 2.393 1.00 0.00 C ATOM 1024 CG1 VAL A 142 6.994 3.276 3.432 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.186 4.740 2.509 1.00 0.00 C ATOM 0 H VAL A 142 7.076 1.310 1.630 1.00 0.00 H new ATOM 0 HA VAL A 142 5.617 3.314 0.264 1.00 0.00 H new ATOM 0 HB VAL A 142 5.162 2.607 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.575 3.421 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.446 2.286 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.754 4.035 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.802 4.864 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.892 5.540 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.359 4.780 1.800 1.00 0.00 H new ATOM 1035 N ARG A 143 8.755 3.913 1.021 1.00 0.00 N ATOM 1036 CA ARG A 143 9.870 4.826 0.806 1.00 0.00 C ATOM 1037 C ARG A 143 10.016 5.166 -0.673 1.00 0.00 C ATOM 1038 O ARG A 143 10.042 6.337 -1.048 1.00 0.00 O ATOM 1039 CB ARG A 143 11.169 4.211 1.330 1.00 0.00 C ATOM 1040 CG ARG A 143 12.382 5.114 1.166 1.00 0.00 C ATOM 1041 CD ARG A 143 13.649 4.458 1.691 1.00 0.00 C ATOM 1042 NE ARG A 143 14.364 5.323 2.627 1.00 0.00 N ATOM 1043 CZ ARG A 143 15.422 4.941 3.337 1.00 0.00 C ATOM 1044 NH1 ARG A 143 15.903 3.709 3.228 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 16.005 5.799 4.164 1.00 0.00 N ATOM 0 H ARG A 143 9.014 3.020 1.440 1.00 0.00 H new ATOM 0 HA ARG A 143 9.665 5.746 1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.047 3.970 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 143 11.353 3.272 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 143 12.511 5.362 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.212 6.051 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.394 3.521 2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 143 14.302 4.210 0.855 1.00 0.00 H new ATOM 0 HE ARG A 143 14.031 6.280 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 143 15.461 3.043 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 143 16.715 3.428 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 143 15.642 6.748 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 143 16.816 5.510 4.710 1.00 0.00 H new ATOM 1059 N MET A 144 10.107 4.136 -1.509 1.00 0.00 N ATOM 1060 CA MET A 144 10.251 4.330 -2.947 1.00 0.00 C ATOM 1061 C MET A 144 8.965 4.874 -3.562 1.00 0.00 C ATOM 1062 O MET A 144 9.003 5.620 -4.540 1.00 0.00 O ATOM 1063 CB MET A 144 10.642 3.017 -3.627 1.00 0.00 C ATOM 1064 CG MET A 144 9.642 1.893 -3.408 1.00 0.00 C ATOM 1065 SD MET A 144 9.362 0.908 -4.892 1.00 0.00 S ATOM 1066 CE MET A 144 7.884 1.686 -5.538 1.00 0.00 C ATOM 0 H MET A 144 10.084 3.160 -1.215 1.00 0.00 H new ATOM 0 HA MET A 144 11.042 5.062 -3.107 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.751 3.191 -4.698 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.617 2.702 -3.255 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.001 1.244 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.695 2.316 -3.074 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.081 0.951 -5.595 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.584 2.501 -4.879 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.086 2.080 -6.534 1.00 0.00 H new ATOM 1076 N MET A 145 7.827 4.497 -2.987 1.00 0.00 N ATOM 1077 CA MET A 145 6.533 4.949 -3.485 1.00 0.00 C ATOM 1078 C MET A 145 6.441 6.472 -3.470 1.00 0.00 C ATOM 1079 O MET A 145 5.784 7.072 -4.321 1.00 0.00 O ATOM 1080 CB MET A 145 5.402 4.352 -2.646 1.00 0.00 C ATOM 1081 CG MET A 145 4.015 4.699 -3.164 1.00 0.00 C ATOM 1082 SD MET A 145 2.709 4.266 -1.999 1.00 0.00 S ATOM 1083 CE MET A 145 2.596 2.497 -2.258 1.00 0.00 C ATOM 0 H MET A 145 7.775 3.880 -2.176 1.00 0.00 H new ATOM 0 HA MET A 145 6.433 4.608 -4.515 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.511 3.268 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.497 4.705 -1.619 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.968 5.767 -3.376 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.843 4.179 -4.106 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.947 2.059 -1.500 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.183 2.300 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.589 2.054 -2.185 1.00 0.00 H new ATOM 1093 N VAL A 146 7.103 7.091 -2.498 1.00 0.00 N ATOM 1094 CA VAL A 146 7.094 8.544 -2.373 1.00 0.00 C ATOM 1095 C VAL A 146 8.439 9.140 -2.775 1.00 0.00 C ATOM 1096 O VAL A 146 8.504 10.252 -3.301 1.00 0.00 O ATOM 1097 CB VAL A 146 6.750 8.985 -0.937 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.354 8.513 -0.557 1.00 0.00 C ATOM 1099 CG2 VAL A 146 7.786 8.471 0.054 1.00 0.00 C ATOM 0 H VAL A 146 7.652 6.610 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 146 6.323 8.914 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 146 6.766 10.074 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.126 8.832 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 146 4.625 8.943 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.310 7.425 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.520 8.796 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 146 7.813 7.382 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.767 8.867 -0.208 1.00 0.00 H new ATOM 1231 N GLU B1905 -8.887 -3.877 9.930 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.046 -4.372 8.844 1.00 0.00 C ATOM 1233 C GLU B1905 -8.499 -3.824 7.494 1.00 0.00 C ATOM 1234 O GLU B1905 -7.699 -3.272 6.739 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.065 -5.901 8.815 1.00 0.00 C ATOM 1236 CG GLU B1905 -7.119 -6.541 9.818 1.00 0.00 C ATOM 1237 CD GLU B1905 -7.656 -7.843 10.378 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -8.055 -8.715 9.577 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -7.679 -7.991 11.618 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.029 -4.026 9.028 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.079 -6.247 9.013 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -7.802 -6.240 7.813 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -6.158 -6.725 9.339 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -6.939 -5.845 10.637 1.00 0.00 H new ATOM 1246 N GLU B1906 -9.784 -3.982 7.193 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.333 -3.502 5.930 1.00 0.00 C ATOM 1248 C GLU B1906 -10.157 -1.993 5.795 1.00 0.00 C ATOM 1249 O GLU B1906 -9.816 -1.499 4.721 1.00 0.00 O ATOM 1250 CB GLU B1906 -11.813 -3.873 5.806 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.616 -3.645 7.076 1.00 0.00 C ATOM 1252 CD GLU B1906 -14.112 -3.684 6.834 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -14.653 -2.692 6.300 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -14.743 -4.706 7.177 1.00 0.00 O1- ATOM 0 H GLU B1906 -10.462 -4.437 7.804 1.00 0.00 H new ATOM 0 HA GLU B1906 -9.783 -3.986 5.123 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.257 -3.291 4.998 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -11.891 -4.923 5.522 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.351 -4.405 7.811 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -12.346 -2.680 7.504 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.380 -1.265 6.886 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.241 0.189 6.883 1.00 0.00 C ATOM 1263 C VAL B1907 -8.873 0.613 6.358 1.00 0.00 C ATOM 1264 O VAL B1907 -8.771 1.351 5.377 1.00 0.00 O ATOM 1265 CB VAL B1907 -10.441 0.776 8.293 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.506 2.295 8.235 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -11.695 0.207 8.937 1.00 0.00 C ATOM 0 H VAL B1907 -10.658 -1.659 7.785 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.016 0.577 6.222 1.00 0.00 H new ATOM 0 HB VAL B1907 -9.586 0.494 8.907 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -10.648 2.692 9.240 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -9.576 2.683 7.819 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.341 2.600 7.604 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -11.819 0.634 9.932 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -12.563 0.455 8.325 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -11.604 -0.876 9.016 1.00 0.00 H new ATOM 1277 N SER B1908 -7.821 0.124 7.008 1.00 0.00 N ATOM 1278 CA SER B1908 -6.457 0.435 6.596 1.00 0.00 C ATOM 1279 C SER B1908 -6.226 0.017 5.147 1.00 0.00 C ATOM 1280 O SER B1908 -5.394 0.593 4.447 1.00 0.00 O ATOM 1281 CB SER B1908 -5.452 -0.270 7.510 1.00 0.00 C ATOM 1282 OG SER B1908 -5.183 0.503 8.666 1.00 0.00 O ATOM 0 H SER B1908 -7.887 -0.488 7.821 1.00 0.00 H new ATOM 0 HA SER B1908 -6.312 1.512 6.676 1.00 0.00 H new ATOM 0 HB2 SER B1908 -5.844 -1.244 7.803 1.00 0.00 H new ATOM 0 HB3 SER B1908 -4.525 -0.450 6.966 1.00 0.00 H new ATOM 0 HG SER B1908 -5.974 0.512 9.245 1.00 0.00 H new ATOM 1288 N ALA B1909 -6.977 -0.987 4.701 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.865 -1.479 3.334 1.00 0.00 C ATOM 1290 C ALA B1909 -7.427 -0.467 2.341 1.00 0.00 C ATOM 1291 O ALA B1909 -6.991 -0.407 1.191 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.578 -2.815 3.201 1.00 0.00 C ATOM 0 H ALA B1909 -7.670 -1.475 5.269 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.809 -1.620 3.104 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.489 -3.175 2.176 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -7.126 -3.538 3.880 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.632 -2.692 3.452 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.391 0.333 2.788 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.995 1.345 1.930 1.00 0.00 C ATOM 1300 C ILE B1910 -8.023 2.497 1.697 1.00 0.00 C ATOM 1301 O ILE B1910 -7.769 2.885 0.557 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.305 1.900 2.526 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.270 0.759 2.853 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.959 2.883 1.565 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -12.574 1.224 3.462 1.00 0.00 C ATOM 0 H ILE B1910 -8.769 0.300 3.735 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.228 0.860 0.982 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.063 2.428 3.448 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.483 0.202 1.941 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -10.783 0.069 3.542 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.881 3.263 2.005 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.279 3.713 1.375 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.186 2.378 0.626 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -13.208 0.361 3.667 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.372 1.755 4.392 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -13.083 1.891 2.766 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.479 3.040 2.782 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.535 4.146 2.677 1.00 0.00 C ATOM 1319 C VAL B1911 -5.295 3.730 1.891 1.00 0.00 C ATOM 1320 O VAL B1911 -4.845 4.448 0.998 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.112 4.674 4.063 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.397 3.596 4.864 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.236 5.910 3.917 1.00 0.00 C ATOM 0 H VAL B1911 -7.674 2.735 3.736 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.047 4.949 2.146 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.013 4.953 4.610 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.110 3.996 5.837 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.063 2.745 5.004 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.505 3.275 4.326 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.947 6.270 4.904 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.342 5.657 3.346 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.791 6.690 3.395 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.750 2.563 2.222 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.567 2.059 1.535 1.00 0.00 C ATOM 1335 C ILE B1912 -3.843 1.908 0.040 1.00 0.00 C ATOM 1336 O ILE B1912 -2.954 2.097 -0.792 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.074 0.734 2.162 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.570 0.578 1.938 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.823 -0.483 1.634 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -0.992 -0.677 2.555 1.00 0.00 C ATOM 0 H ILE B1912 -5.107 1.952 2.957 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.764 2.786 1.657 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.280 0.787 3.231 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.370 0.571 0.867 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.057 1.446 2.353 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.434 -1.384 2.109 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.885 -0.383 1.859 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.686 -0.554 0.555 1.00 0.00 H new ATOM 0 HD11 ILE B1912 0.079 -0.721 2.356 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.160 -0.664 3.632 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.477 -1.552 2.122 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.092 1.593 -0.290 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.499 1.447 -1.681 1.00 0.00 C ATOM 1354 C GLN B1913 -5.353 2.785 -2.397 1.00 0.00 C ATOM 1355 O GLN B1913 -4.962 2.844 -3.564 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.943 0.946 -1.768 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.124 -0.214 -2.735 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.518 -0.808 -2.683 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.498 -0.156 -3.044 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.614 -2.054 -2.231 1.00 0.00 N ATOM 0 H GLN B1913 -5.838 1.434 0.387 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.857 0.711 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.273 0.637 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.587 1.770 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.917 0.128 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.394 -0.990 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.775 -2.558 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.526 -2.507 -2.173 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.652 3.860 -1.674 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.538 5.206 -2.220 1.00 0.00 C ATOM 1371 C ARG B1914 -4.086 5.497 -2.583 1.00 0.00 C ATOM 1372 O ARG B1914 -3.802 6.172 -3.572 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.045 6.237 -1.211 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.502 7.539 -1.848 1.00 0.00 C ATOM 1375 CD ARG B1914 -7.061 8.500 -0.812 1.00 0.00 C ATOM 1376 NE ARG B1914 -7.491 9.761 -1.412 1.00 0.00 N ATOM 1377 CZ ARG B1914 -8.252 10.661 -0.794 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -8.677 10.453 0.446 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -8.592 11.779 -1.422 1.00 0.00 N ATOM 0 H ARG B1914 -5.975 3.824 -0.707 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.150 5.272 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.874 5.806 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.252 6.452 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -5.664 8.006 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.263 7.330 -2.600 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -7.905 8.034 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -6.302 8.699 -0.055 1.00 0.00 H new ATOM 0 HE ARG B1914 -7.189 9.964 -2.365 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -8.421 9.596 0.936 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -9.260 11.150 0.909 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -8.270 11.946 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -9.175 12.471 -0.952 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.172 4.969 -1.774 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.746 5.156 -2.007 1.00 0.00 C ATOM 1395 C ALA B1915 -1.338 4.563 -3.351 1.00 0.00 C ATOM 1396 O ALA B1915 -0.583 5.175 -4.107 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.939 4.529 -0.881 1.00 0.00 C ATOM 0 H ALA B1915 -3.395 4.408 -0.952 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.538 6.226 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.124 4.677 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.209 4.998 0.065 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.153 3.461 -0.830 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.847 3.370 -3.646 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.541 2.699 -4.905 1.00 0.00 C ATOM 1405 C TYR B1916 -1.967 3.558 -6.090 1.00 0.00 C ATOM 1406 O TYR B1916 -1.268 3.633 -7.100 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.239 1.339 -4.974 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.912 0.425 -3.814 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.620 0.342 -3.310 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.898 -0.353 -3.223 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.322 -0.491 -2.249 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.608 -1.187 -2.160 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.318 -1.253 -1.676 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.025 -2.081 -0.618 1.00 0.00 O ATOM 0 H TYR B1916 -2.472 2.849 -3.031 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.463 2.545 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.317 1.496 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.959 0.844 -5.904 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.163 0.938 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.909 -0.306 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.688 -0.545 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.388 -1.784 -1.710 1.00 0.00 H new ATOM 0 HH TYR B1916 -0.097 -1.937 -0.337 1.00 0.00 H new ATOM 1424 N ARG B1917 -3.118 4.211 -5.955 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.635 5.074 -7.011 1.00 0.00 C ATOM 1426 C ARG B1917 -2.644 6.189 -7.325 1.00 0.00 C ATOM 1427 O ARG B1917 -2.374 6.487 -8.489 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.981 5.672 -6.598 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.895 5.982 -7.772 1.00 0.00 C ATOM 1430 CD ARG B1917 -7.151 6.711 -7.323 1.00 0.00 C ATOM 1431 NE ARG B1917 -8.251 6.540 -8.269 1.00 0.00 N ATOM 1432 CZ ARG B1917 -9.368 7.263 -8.254 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -9.549 8.211 -7.344 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -10.312 7.036 -9.157 1.00 0.00 N ATOM 0 H ARG B1917 -3.709 4.159 -5.125 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.777 4.470 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -5.487 4.977 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.804 6.588 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -5.360 6.592 -8.500 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -6.171 5.055 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -7.454 6.341 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -6.933 7.773 -7.209 1.00 0.00 H new ATOM 0 HE ARG B1917 -8.157 5.821 -8.986 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.828 8.392 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -10.409 8.759 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -10.181 6.309 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -11.169 7.588 -9.148 1.00 0.00 H new ATOM 1448 N ARG B1918 -2.097 6.795 -6.276 1.00 0.00 N ATOM 1449 CA ARG B1918 -1.125 7.869 -6.434 1.00 0.00 C ATOM 1450 C ARG B1918 0.209 7.313 -6.920 1.00 0.00 C ATOM 1451 O ARG B1918 0.933 7.970 -7.669 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.933 8.611 -5.109 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.733 10.109 -5.274 1.00 0.00 C ATOM 1454 CD ARG B1918 -0.963 10.848 -3.966 1.00 0.00 C ATOM 1455 NE ARG B1918 -0.623 12.265 -4.070 1.00 0.00 N ATOM 1456 CZ ARG B1918 -1.424 13.188 -4.597 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -2.617 12.857 -5.074 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -1.029 14.453 -4.646 1.00 0.00 N ATOM 0 H ARG B1918 -2.311 6.560 -5.307 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.503 8.570 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.802 8.437 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG B1918 -0.071 8.193 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG B1918 0.278 10.305 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -1.418 10.487 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -2.008 10.747 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -0.364 10.388 -3.180 1.00 0.00 H new ATOM 0 HE ARG B1918 0.285 12.566 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -2.929 11.886 -5.039 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -3.222 13.573 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -0.114 14.716 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -1.640 15.163 -5.049 1.00 0.00 H new ATOM 1472 N TYR B1919 0.524 6.095 -6.492 1.00 0.00 N ATOM 1473 CA TYR B1919 1.767 5.441 -6.884 1.00 0.00 C ATOM 1474 C TYR B1919 1.828 5.269 -8.399 1.00 0.00 C ATOM 1475 O TYR B1919 2.784 5.697 -9.045 1.00 0.00 O ATOM 1476 CB TYR B1919 1.887 4.081 -6.189 1.00 0.00 C ATOM 1477 CG TYR B1919 3.099 3.278 -6.608 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.380 3.806 -6.500 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.960 1.993 -7.117 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.487 3.075 -6.886 1.00 0.00 C ATOM 1481 CE2 TYR B1919 4.062 1.256 -7.505 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.323 1.801 -7.388 1.00 0.00 C ATOM 1483 OH TYR B1919 6.423 1.070 -7.775 1.00 0.00 O ATOM 0 H TYR B1919 -0.066 5.540 -5.872 1.00 0.00 H new ATOM 0 HA TYR B1919 2.603 6.069 -6.576 1.00 0.00 H new ATOM 0 HB2 TYR B1919 1.923 4.238 -5.111 1.00 0.00 H new ATOM 0 HB3 TYR B1919 0.989 3.499 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.512 4.804 -6.108 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.974 1.563 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.476 3.499 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.936 0.258 -7.898 1.00 0.00 H new ATOM 0 HH TYR B1919 6.243 0.115 -7.646 1.00 0.00 H new ATOM 1493 N LEU B1920 0.801 4.637 -8.958 1.00 0.00 N ATOM 1494 CA LEU B1920 0.737 4.406 -10.396 1.00 0.00 C ATOM 1495 C LEU B1920 0.703 5.725 -11.160 1.00 0.00 C ATOM 1496 O LEU B1920 1.202 5.816 -12.282 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.491 3.560 -10.741 1.00 0.00 C ATOM 1498 CG LEU B1920 -0.246 2.454 -11.769 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.369 1.233 -11.102 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.543 2.085 -12.472 1.00 0.00 C ATOM 0 H LEU B1920 0.002 4.276 -8.437 1.00 0.00 H new ATOM 0 HA LEU B1920 1.635 3.865 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.870 3.107 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -1.273 4.219 -11.118 1.00 0.00 H new ATOM 0 HG LEU B1920 0.456 2.825 -12.516 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.536 0.456 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.320 1.508 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU B1920 -0.308 0.858 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -1.351 1.297 -13.200 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -2.267 1.732 -11.738 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.942 2.961 -12.983 1.00 0.00 H new