USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 480 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 211 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 213 SER OG : rot 86:sc= 0.0619 USER MOD Single : A 153 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD Single : A 166 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 168 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.1!) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 86:sc= 0.775 USER MOD Single : A 185 ASN : amide:sc= -4.1 K(o=-4.1,f=-2.9!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 195 GLN : amide:sc= -3.39 K(o=-3.4,f=-5.2!) USER MOD Single : A 197 ASN : amide:sc= -0.162 K(o=-0.16,f=-2!) USER MOD Single : A 198 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.33) USER MOD Single : A 205 SER OG : rot -141:sc= 0.905 USER MOD Single : A 206 ASN : amide:sc= -2.84 K(o=-2.8,f=-12!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -0.966 X(o=-0.97,f=-0.47) USER MOD Single : A 214 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -15.118 2.695 0.085 1.00 0.00 N ATOM 2 CA HIS A 153 -15.973 3.498 -0.828 1.00 0.00 C ATOM 3 C HIS A 153 -15.817 4.991 -0.558 1.00 0.00 C ATOM 4 O HIS A 153 -15.878 5.808 -1.478 1.00 0.00 O ATOM 5 CB HIS A 153 -17.429 3.075 -0.628 1.00 0.00 C ATOM 6 CG HIS A 153 -18.360 3.628 -1.662 1.00 0.00 C ATOM 7 ND1 HIS A 153 -18.969 2.849 -2.623 1.00 0.00 N ATOM 8 CD2 HIS A 153 -18.787 4.895 -1.883 1.00 0.00 C ATOM 9 CE1 HIS A 153 -19.728 3.611 -3.390 1.00 0.00 C ATOM 10 NE2 HIS A 153 -19.637 4.855 -2.962 1.00 0.00 N ATOM 0 HA HIS A 153 -15.666 3.317 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -17.488 1.987 -0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -17.761 3.399 0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -18.511 5.772 -1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -20.322 3.273 -4.226 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -20.119 5.658 -3.366 1.00 0.00 H new ATOM 21 N MET A 154 -15.619 5.341 0.710 1.00 0.00 N ATOM 22 CA MET A 154 -15.453 6.736 1.099 1.00 0.00 C ATOM 23 C MET A 154 -14.184 7.323 0.495 1.00 0.00 C ATOM 24 O MET A 154 -14.235 8.066 -0.486 1.00 0.00 O ATOM 25 CB MET A 154 -15.414 6.859 2.624 1.00 0.00 C ATOM 26 CG MET A 154 -16.790 6.847 3.271 1.00 0.00 C ATOM 27 SD MET A 154 -17.268 5.212 3.858 1.00 0.00 S ATOM 28 CE MET A 154 -19.047 5.396 3.962 1.00 0.00 C ATOM 0 H MET A 154 -15.570 4.678 1.484 1.00 0.00 H new ATOM 0 HA MET A 154 -16.305 7.298 0.718 1.00 0.00 H new ATOM 0 HB2 MET A 154 -14.823 6.039 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 154 -14.903 7.784 2.893 1.00 0.00 H new ATOM 0 HG2 MET A 154 -16.800 7.546 4.107 1.00 0.00 H new ATOM 0 HG3 MET A 154 -17.528 7.200 2.551 1.00 0.00 H new ATOM 0 HE1 MET A 154 -19.489 4.464 4.313 1.00 0.00 H new ATOM 0 HE2 MET A 154 -19.290 6.198 4.660 1.00 0.00 H new ATOM 0 HE3 MET A 154 -19.446 5.639 2.977 1.00 0.00 H new ATOM 38 N GLU A 155 -13.045 6.987 1.088 1.00 0.00 N ATOM 39 CA GLU A 155 -11.758 7.480 0.611 1.00 0.00 C ATOM 40 C GLU A 155 -11.068 6.441 -0.268 1.00 0.00 C ATOM 41 O GLU A 155 -10.470 5.489 0.234 1.00 0.00 O ATOM 42 CB GLU A 155 -10.857 7.844 1.793 1.00 0.00 C ATOM 43 CG GLU A 155 -9.956 9.039 1.526 1.00 0.00 C ATOM 44 CD GLU A 155 -10.462 10.310 2.179 1.00 0.00 C ATOM 45 OE1 GLU A 155 -10.748 10.278 3.394 1.00 0.00 O ATOM 46 OE2 GLU A 155 -10.575 11.334 1.474 1.00 0.00 O ATOM 0 H GLU A 155 -12.986 6.374 1.901 1.00 0.00 H new ATOM 0 HA GLU A 155 -11.939 8.373 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -11.480 8.056 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -10.239 6.983 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -8.953 8.822 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -9.876 9.195 0.450 1.00 0.00 H new ATOM 53 N THR A 156 -11.156 6.630 -1.581 1.00 0.00 N ATOM 54 CA THR A 156 -10.542 5.709 -2.528 1.00 0.00 C ATOM 55 C THR A 156 -9.169 6.213 -2.962 1.00 0.00 C ATOM 56 O THR A 156 -9.037 7.323 -3.474 1.00 0.00 O ATOM 57 CB THR A 156 -11.441 5.527 -3.751 1.00 0.00 C ATOM 58 OG1 THR A 156 -10.892 4.567 -4.638 1.00 0.00 O ATOM 59 CG2 THR A 156 -11.655 6.805 -4.533 1.00 0.00 C ATOM 0 H THR A 156 -11.647 7.413 -2.012 1.00 0.00 H new ATOM 0 HA THR A 156 -10.417 4.746 -2.032 1.00 0.00 H new ATOM 0 HB THR A 156 -12.402 5.197 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 156 -11.482 4.463 -5.413 1.00 0.00 H new ATOM 0 HG21 THR A 156 -12.302 6.605 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.123 7.551 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 156 -10.695 7.181 -4.885 1.00 0.00 H new ATOM 67 N LYS A 157 -8.148 5.386 -2.754 1.00 0.00 N ATOM 68 CA LYS A 157 -6.784 5.747 -3.124 1.00 0.00 C ATOM 69 C LYS A 157 -5.981 4.510 -3.513 1.00 0.00 C ATOM 70 O LYS A 157 -5.673 3.668 -2.670 1.00 0.00 O ATOM 71 CB LYS A 157 -6.096 6.476 -1.969 1.00 0.00 C ATOM 72 CG LYS A 157 -6.291 7.983 -1.996 1.00 0.00 C ATOM 73 CD LYS A 157 -5.116 8.686 -2.657 1.00 0.00 C ATOM 74 CE LYS A 157 -5.385 8.958 -4.128 1.00 0.00 C ATOM 75 NZ LYS A 157 -5.857 10.351 -4.359 1.00 0.00 N ATOM 0 H LYS A 157 -8.240 4.462 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 157 -6.831 6.412 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -6.478 6.086 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.029 6.256 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -7.209 8.222 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.412 8.353 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.917 9.626 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.221 8.072 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.475 8.784 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.133 8.256 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.029 10.495 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.740 10.510 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.133 11.022 -4.032 1.00 0.00 H new ATOM 89 N PHE A 158 -5.642 4.409 -4.795 1.00 0.00 N ATOM 90 CA PHE A 158 -4.873 3.275 -5.294 1.00 0.00 C ATOM 91 C PHE A 158 -3.419 3.666 -5.530 1.00 0.00 C ATOM 92 O PHE A 158 -3.134 4.704 -6.128 1.00 0.00 O ATOM 93 CB PHE A 158 -5.489 2.748 -6.592 1.00 0.00 C ATOM 94 CG PHE A 158 -6.822 2.084 -6.397 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.985 2.836 -6.362 1.00 0.00 C ATOM 96 CD2 PHE A 158 -6.913 0.710 -6.249 1.00 0.00 C ATOM 97 CE1 PHE A 158 -9.214 2.230 -6.185 1.00 0.00 C ATOM 98 CE2 PHE A 158 -8.138 0.097 -6.070 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.291 0.857 -6.037 1.00 0.00 C ATOM 0 H PHE A 158 -5.888 5.098 -5.506 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.901 2.488 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.603 3.575 -7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.801 2.036 -7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.930 3.909 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -6.015 0.110 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -10.113 2.828 -6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -8.194 -0.975 -5.956 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.250 0.380 -5.896 1.00 0.00 H new ATOM 109 N VAL A 159 -2.502 2.829 -5.056 1.00 0.00 N ATOM 110 CA VAL A 159 -1.076 3.089 -5.215 1.00 0.00 C ATOM 111 C VAL A 159 -0.389 1.945 -5.954 1.00 0.00 C ATOM 112 O VAL A 159 -0.847 0.804 -5.917 1.00 0.00 O ATOM 113 CB VAL A 159 -0.383 3.289 -3.854 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.830 4.595 -3.217 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.667 2.114 -2.932 1.00 0.00 C ATOM 0 H VAL A 159 -2.721 1.966 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 159 -0.987 4.005 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 159 0.693 3.339 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.331 4.721 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.571 5.427 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.909 4.575 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.169 2.273 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.742 2.029 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.294 1.196 -3.387 1.00 0.00 H new ATOM 125 N GLN A 160 0.715 2.260 -6.623 1.00 0.00 N ATOM 126 CA GLN A 160 1.468 1.260 -7.372 1.00 0.00 C ATOM 127 C GLN A 160 2.833 1.031 -6.732 1.00 0.00 C ATOM 128 O GLN A 160 3.684 1.919 -6.723 1.00 0.00 O ATOM 129 CB GLN A 160 1.640 1.701 -8.826 1.00 0.00 C ATOM 130 CG GLN A 160 1.583 0.552 -9.819 1.00 0.00 C ATOM 131 CD GLN A 160 0.789 0.897 -11.064 1.00 0.00 C ATOM 132 OE1 GLN A 160 -0.442 0.913 -11.045 1.00 0.00 O ATOM 133 NE2 GLN A 160 1.492 1.174 -12.157 1.00 0.00 N ATOM 0 H GLN A 160 1.109 3.200 -6.662 1.00 0.00 H new ATOM 0 HA GLN A 160 0.910 0.324 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.862 2.423 -9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.596 2.214 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 160 2.597 0.273 -10.105 1.00 0.00 H new ATOM 0 HG3 GLN A 160 1.137 -0.318 -9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 160 2.511 1.149 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 160 1.012 1.412 -13.025 1.00 0.00 H new ATOM 142 N ALA A 161 3.032 -0.164 -6.189 1.00 0.00 N ATOM 143 CA ALA A 161 4.287 -0.512 -5.538 1.00 0.00 C ATOM 144 C ALA A 161 5.441 -0.549 -6.531 1.00 0.00 C ATOM 145 O ALA A 161 5.238 -0.728 -7.732 1.00 0.00 O ATOM 146 CB ALA A 161 4.157 -1.853 -4.834 1.00 0.00 C ATOM 0 H ALA A 161 2.337 -0.910 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 161 4.507 0.261 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.101 -2.103 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.369 -1.795 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.907 -2.624 -5.563 1.00 0.00 H new ATOM 152 N LEU A 162 6.656 -0.387 -6.018 1.00 0.00 N ATOM 153 CA LEU A 162 7.852 -0.416 -6.854 1.00 0.00 C ATOM 154 C LEU A 162 8.862 -1.432 -6.326 1.00 0.00 C ATOM 155 O LEU A 162 10.048 -1.368 -6.651 1.00 0.00 O ATOM 156 CB LEU A 162 8.493 0.970 -6.925 1.00 0.00 C ATOM 157 CG LEU A 162 8.507 1.740 -5.605 1.00 0.00 C ATOM 158 CD1 LEU A 162 9.930 2.117 -5.216 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.632 2.981 -5.699 1.00 0.00 C ATOM 0 H LEU A 162 6.839 -0.234 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 162 7.551 -0.716 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.519 0.862 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.961 1.563 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 162 8.101 1.092 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 162 9.917 2.664 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.528 1.213 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.366 2.744 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.655 3.515 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.006 3.631 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.607 2.687 -5.925 1.00 0.00 H new ATOM 171 N PHE A 163 8.384 -2.370 -5.511 1.00 0.00 N ATOM 172 CA PHE A 163 9.243 -3.400 -4.939 1.00 0.00 C ATOM 173 C PHE A 163 8.409 -4.474 -4.247 1.00 0.00 C ATOM 174 O PHE A 163 7.416 -4.172 -3.585 1.00 0.00 O ATOM 175 CB PHE A 163 10.227 -2.780 -3.946 1.00 0.00 C ATOM 176 CG PHE A 163 11.647 -3.226 -4.150 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.204 -3.248 -5.418 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.424 -3.623 -3.074 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.509 -3.659 -5.610 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.730 -4.034 -3.258 1.00 0.00 C ATOM 181 CZ PHE A 163 14.274 -4.052 -4.529 1.00 0.00 C ATOM 0 H PHE A 163 7.405 -2.436 -5.233 1.00 0.00 H new ATOM 0 HA PHE A 163 9.804 -3.865 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.180 -1.694 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 163 9.917 -3.035 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 163 11.611 -2.940 -6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 163 12.004 -3.611 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 163 13.931 -3.673 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 163 14.325 -4.341 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.295 -4.373 -4.676 1.00 0.00 H new ATOM 191 N ASP A 164 8.816 -5.729 -4.404 1.00 0.00 N ATOM 192 CA ASP A 164 8.105 -6.845 -3.793 1.00 0.00 C ATOM 193 C ASP A 164 8.261 -6.827 -2.276 1.00 0.00 C ATOM 194 O ASP A 164 9.353 -6.582 -1.759 1.00 0.00 O ATOM 195 CB ASP A 164 8.621 -8.173 -4.353 1.00 0.00 C ATOM 196 CG ASP A 164 8.668 -8.182 -5.869 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.652 -8.552 -6.492 1.00 0.00 O ATOM 198 OD2 ASP A 164 9.723 -7.818 -6.432 1.00 0.00 O ATOM 0 H ASP A 164 9.635 -5.998 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 164 7.047 -6.742 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.619 -8.367 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.980 -8.984 -4.007 1.00 0.00 H new ATOM 203 N PHE A 165 7.167 -7.082 -1.568 1.00 0.00 N ATOM 204 CA PHE A 165 7.187 -7.091 -0.110 1.00 0.00 C ATOM 205 C PHE A 165 6.564 -8.372 0.436 1.00 0.00 C ATOM 206 O PHE A 165 5.352 -8.573 0.347 1.00 0.00 O ATOM 207 CB PHE A 165 6.441 -5.874 0.439 1.00 0.00 C ATOM 208 CG PHE A 165 6.915 -5.442 1.797 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.087 -4.717 1.937 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.189 -5.761 2.933 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.525 -4.317 3.185 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.623 -5.364 4.184 1.00 0.00 C ATOM 213 CZ PHE A 165 7.792 -4.642 4.310 1.00 0.00 C ATOM 0 H PHE A 165 6.256 -7.285 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 165 8.227 -7.048 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.555 -5.044 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.377 -6.103 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.665 -4.462 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.273 -6.326 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.440 -3.751 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 165 6.048 -5.619 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.133 -4.331 5.286 1.00 0.00 H new ATOM 223 N ASN A 166 7.401 -9.234 1.006 1.00 0.00 N ATOM 224 CA ASN A 166 6.933 -10.494 1.570 1.00 0.00 C ATOM 225 C ASN A 166 7.048 -10.482 3.093 1.00 0.00 C ATOM 226 O ASN A 166 7.984 -11.047 3.658 1.00 0.00 O ATOM 227 CB ASN A 166 7.735 -11.664 0.997 1.00 0.00 C ATOM 228 CG ASN A 166 6.905 -12.926 0.863 1.00 0.00 C ATOM 229 OD1 ASN A 166 6.452 -13.490 1.859 1.00 0.00 O ATOM 230 ND2 ASN A 166 6.702 -13.373 -0.369 1.00 0.00 N ATOM 0 H ASN A 166 8.406 -9.082 1.089 1.00 0.00 H new ATOM 0 HA ASN A 166 5.884 -10.617 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.129 -11.386 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.592 -11.863 1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 166 6.150 -14.218 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 166 7.097 -12.872 -1.165 1.00 0.00 H new ATOM 237 N PRO A 167 6.092 -9.831 3.779 1.00 0.00 N ATOM 238 CA PRO A 167 6.091 -9.746 5.239 1.00 0.00 C ATOM 239 C PRO A 167 5.594 -11.028 5.898 1.00 0.00 C ATOM 240 O PRO A 167 4.437 -11.413 5.736 1.00 0.00 O ATOM 241 CB PRO A 167 5.127 -8.594 5.515 1.00 0.00 C ATOM 242 CG PRO A 167 4.174 -8.615 4.369 1.00 0.00 C ATOM 243 CD PRO A 167 4.939 -9.129 3.184 1.00 0.00 C ATOM 0 HA PRO A 167 7.092 -9.595 5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.608 -8.730 6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.654 -7.642 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.320 -9.257 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.781 -7.617 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.332 -9.802 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.260 -8.316 2.533 1.00 0.00 H new ATOM 251 N GLN A 168 6.477 -11.681 6.644 1.00 0.00 N ATOM 252 CA GLN A 168 6.130 -12.918 7.334 1.00 0.00 C ATOM 253 C GLN A 168 5.370 -12.627 8.624 1.00 0.00 C ATOM 254 O GLN A 168 4.587 -13.451 9.093 1.00 0.00 O ATOM 255 CB GLN A 168 7.392 -13.727 7.641 1.00 0.00 C ATOM 256 CG GLN A 168 7.860 -14.591 6.483 1.00 0.00 C ATOM 257 CD GLN A 168 6.995 -15.822 6.288 1.00 0.00 C ATOM 258 OE1 GLN A 168 5.838 -15.724 5.881 1.00 0.00 O ATOM 259 NE2 GLN A 168 7.555 -16.990 6.580 1.00 0.00 N ATOM 0 H GLN A 168 7.439 -11.374 6.787 1.00 0.00 H new ATOM 0 HA GLN A 168 5.484 -13.502 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.193 -13.042 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 168 7.203 -14.364 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 168 7.855 -13.999 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.891 -14.899 6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.518 -17.024 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 168 7.022 -17.853 6.470 1.00 0.00 H new ATOM 268 N GLU A 169 5.606 -11.447 9.191 1.00 0.00 N ATOM 269 CA GLU A 169 4.943 -11.046 10.426 1.00 0.00 C ATOM 270 C GLU A 169 3.582 -10.424 10.134 1.00 0.00 C ATOM 271 O GLU A 169 3.245 -10.158 8.981 1.00 0.00 O ATOM 272 CB GLU A 169 5.815 -10.055 11.200 1.00 0.00 C ATOM 273 CG GLU A 169 7.169 -10.620 11.598 1.00 0.00 C ATOM 274 CD GLU A 169 8.031 -9.607 12.327 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.580 -9.078 13.365 1.00 0.00 O ATOM 276 OE2 GLU A 169 9.158 -9.340 11.856 1.00 0.00 O ATOM 0 H GLU A 169 6.251 -10.753 8.814 1.00 0.00 H new ATOM 0 HA GLU A 169 4.792 -11.938 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.967 -9.164 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.284 -9.740 12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.022 -11.492 12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.693 -10.962 10.705 1.00 0.00 H new ATOM 283 N SER A 170 2.803 -10.195 11.186 1.00 0.00 N ATOM 284 CA SER A 170 1.478 -9.603 11.043 1.00 0.00 C ATOM 285 C SER A 170 1.549 -8.082 11.124 1.00 0.00 C ATOM 286 O SER A 170 2.402 -7.525 11.812 1.00 0.00 O ATOM 287 CB SER A 170 0.537 -10.141 12.120 1.00 0.00 C ATOM 288 OG SER A 170 -0.032 -11.379 11.729 1.00 0.00 O ATOM 0 H SER A 170 3.067 -10.411 12.147 1.00 0.00 H new ATOM 0 HA SER A 170 1.089 -9.877 10.062 1.00 0.00 H new ATOM 0 HB2 SER A 170 1.084 -10.268 13.055 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.255 -9.417 12.310 1.00 0.00 H new ATOM 0 HG SER A 170 -0.629 -11.703 12.436 1.00 0.00 H new ATOM 294 N GLY A 171 0.642 -7.417 10.414 1.00 0.00 N ATOM 295 CA GLY A 171 0.617 -5.967 10.416 1.00 0.00 C ATOM 296 C GLY A 171 1.033 -5.380 9.082 1.00 0.00 C ATOM 297 O GLY A 171 0.508 -4.351 8.656 1.00 0.00 O ATOM 0 H GLY A 171 -0.075 -7.857 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.388 -5.624 10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.282 -5.596 11.196 1.00 0.00 H new ATOM 301 N GLU A 172 1.979 -6.038 8.422 1.00 0.00 N ATOM 302 CA GLU A 172 2.467 -5.579 7.127 1.00 0.00 C ATOM 303 C GLU A 172 1.704 -6.254 5.992 1.00 0.00 C ATOM 304 O GLU A 172 1.545 -7.475 5.981 1.00 0.00 O ATOM 305 CB GLU A 172 3.963 -5.862 6.992 1.00 0.00 C ATOM 306 CG GLU A 172 4.810 -5.180 8.054 1.00 0.00 C ATOM 307 CD GLU A 172 6.290 -5.464 7.894 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.965 -4.706 7.165 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.775 -6.447 8.494 1.00 0.00 O ATOM 0 H GLU A 172 2.423 -6.891 8.762 1.00 0.00 H new ATOM 0 HA GLU A 172 2.303 -4.503 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.127 -6.938 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.298 -5.536 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.644 -4.104 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.485 -5.512 9.040 1.00 0.00 H new ATOM 316 N LEU A 173 1.232 -5.456 5.039 1.00 0.00 N ATOM 317 CA LEU A 173 0.483 -5.989 3.907 1.00 0.00 C ATOM 318 C LEU A 173 1.425 -6.617 2.880 1.00 0.00 C ATOM 319 O LEU A 173 2.555 -6.161 2.703 1.00 0.00 O ATOM 320 CB LEU A 173 -0.376 -4.882 3.266 1.00 0.00 C ATOM 321 CG LEU A 173 -0.270 -4.727 1.746 1.00 0.00 C ATOM 322 CD1 LEU A 173 -1.119 -5.776 1.046 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.696 -3.329 1.326 1.00 0.00 C ATOM 0 H LEU A 173 1.354 -4.443 5.028 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.183 -6.772 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.420 -5.072 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.105 -3.931 3.725 1.00 0.00 H new ATOM 0 HG LEU A 173 0.770 -4.874 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.033 -5.653 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.772 -6.771 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.161 -5.658 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.615 -3.234 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.729 -3.157 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.050 -2.593 1.804 1.00 0.00 H new ATOM 335 N ALA A 174 0.949 -7.654 2.199 1.00 0.00 N ATOM 336 CA ALA A 174 1.748 -8.329 1.183 1.00 0.00 C ATOM 337 C ALA A 174 1.443 -7.763 -0.199 1.00 0.00 C ATOM 338 O ALA A 174 0.338 -7.930 -0.715 1.00 0.00 O ATOM 339 CB ALA A 174 1.487 -9.829 1.213 1.00 0.00 C ATOM 0 H ALA A 174 0.016 -8.045 2.332 1.00 0.00 H new ATOM 0 HA ALA A 174 2.802 -8.156 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.091 -10.319 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.752 -10.225 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.431 -10.019 1.018 1.00 0.00 H new ATOM 345 N PHE A 175 2.419 -7.081 -0.787 1.00 0.00 N ATOM 346 CA PHE A 175 2.236 -6.481 -2.104 1.00 0.00 C ATOM 347 C PHE A 175 3.392 -6.818 -3.038 1.00 0.00 C ATOM 348 O PHE A 175 4.504 -7.104 -2.595 1.00 0.00 O ATOM 349 CB PHE A 175 2.097 -4.962 -1.982 1.00 0.00 C ATOM 350 CG PHE A 175 3.163 -4.320 -1.136 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.227 -4.559 0.226 1.00 0.00 C ATOM 352 CD2 PHE A 175 4.097 -3.470 -1.708 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.203 -3.967 1.003 1.00 0.00 C ATOM 354 CE2 PHE A 175 5.077 -2.875 -0.935 1.00 0.00 C ATOM 355 CZ PHE A 175 5.129 -3.123 0.423 1.00 0.00 C ATOM 0 H PHE A 175 3.340 -6.930 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 175 1.322 -6.896 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.124 -4.523 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.120 -4.729 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.505 -5.217 0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 175 4.059 -3.270 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.242 -4.164 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.801 -2.217 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.892 -2.658 1.029 1.00 0.00 H new ATOM 365 N LYS A 176 3.116 -6.774 -4.339 1.00 0.00 N ATOM 366 CA LYS A 176 4.124 -7.063 -5.349 1.00 0.00 C ATOM 367 C LYS A 176 4.465 -5.803 -6.138 1.00 0.00 C ATOM 368 O LYS A 176 3.816 -4.770 -5.982 1.00 0.00 O ATOM 369 CB LYS A 176 3.629 -8.157 -6.297 1.00 0.00 C ATOM 370 CG LYS A 176 3.403 -9.496 -5.616 1.00 0.00 C ATOM 371 CD LYS A 176 3.621 -10.654 -6.578 1.00 0.00 C ATOM 372 CE LYS A 176 5.101 -10.956 -6.758 1.00 0.00 C ATOM 373 NZ LYS A 176 5.618 -11.858 -5.692 1.00 0.00 N ATOM 0 H LYS A 176 2.198 -6.540 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 176 5.024 -7.415 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 176 2.697 -7.832 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.354 -8.285 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 176 4.081 -9.593 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 176 2.389 -9.537 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 176 3.110 -11.541 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 176 3.177 -10.415 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 176 5.261 -11.417 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 176 5.665 -10.023 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 6.630 -12.039 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 5.489 -11.408 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 5.097 -12.758 -5.716 1.00 0.00 H new ATOM 387 N ARG A 177 5.487 -5.893 -6.981 1.00 0.00 N ATOM 388 CA ARG A 177 5.912 -4.755 -7.788 1.00 0.00 C ATOM 389 C ARG A 177 4.793 -4.284 -8.711 1.00 0.00 C ATOM 390 O ARG A 177 4.119 -5.089 -9.353 1.00 0.00 O ATOM 391 CB ARG A 177 7.151 -5.117 -8.606 1.00 0.00 C ATOM 392 CG ARG A 177 8.392 -4.334 -8.211 1.00 0.00 C ATOM 393 CD ARG A 177 9.658 -4.998 -8.728 1.00 0.00 C ATOM 394 NE ARG A 177 10.687 -4.018 -9.074 1.00 0.00 N ATOM 395 CZ ARG A 177 10.565 -3.132 -10.059 1.00 0.00 C ATOM 396 NH1 ARG A 177 9.463 -3.097 -10.799 1.00 0.00 N ATOM 397 NH2 ARG A 177 11.547 -2.277 -10.307 1.00 0.00 N ATOM 0 H ARG A 177 6.036 -6.741 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 177 6.159 -3.938 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.352 -6.182 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.943 -4.943 -9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.325 -3.320 -8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.441 -4.251 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 177 10.046 -5.679 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.420 -5.599 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 177 11.549 -4.014 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 177 8.703 -3.752 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 177 9.376 -2.415 -11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.396 -2.298 -9.743 1.00 0.00 H new ATOM 0 HH22 ARG A 177 11.453 -1.598 -11.062 1.00 0.00 H new ATOM 411 N GLY A 178 4.611 -2.968 -8.777 1.00 0.00 N ATOM 412 CA GLY A 178 3.582 -2.398 -9.626 1.00 0.00 C ATOM 413 C GLY A 178 2.193 -2.898 -9.285 1.00 0.00 C ATOM 414 O GLY A 178 1.296 -2.875 -10.131 1.00 0.00 O ATOM 0 H GLY A 178 5.160 -2.285 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.604 -1.312 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.803 -2.636 -10.666 1.00 0.00 H new ATOM 418 N ASP A 179 2.007 -3.349 -8.051 1.00 0.00 N ATOM 419 CA ASP A 179 0.715 -3.851 -7.613 1.00 0.00 C ATOM 420 C ASP A 179 -0.185 -2.707 -7.152 1.00 0.00 C ATOM 421 O ASP A 179 0.176 -1.941 -6.257 1.00 0.00 O ATOM 422 CB ASP A 179 0.895 -4.883 -6.490 1.00 0.00 C ATOM 423 CG ASP A 179 1.027 -4.252 -5.117 1.00 0.00 C ATOM 424 OD1 ASP A 179 1.858 -3.334 -4.962 1.00 0.00 O ATOM 425 OD2 ASP A 179 0.297 -4.677 -4.197 1.00 0.00 O ATOM 0 H ASP A 179 2.735 -3.377 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 179 0.233 -4.340 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 179 0.043 -5.563 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.782 -5.483 -6.694 1.00 0.00 H new ATOM 430 N VAL A 180 -1.358 -2.595 -7.764 1.00 0.00 N ATOM 431 CA VAL A 180 -2.304 -1.544 -7.410 1.00 0.00 C ATOM 432 C VAL A 180 -2.955 -1.835 -6.061 1.00 0.00 C ATOM 433 O VAL A 180 -3.946 -2.562 -5.983 1.00 0.00 O ATOM 434 CB VAL A 180 -3.404 -1.391 -8.478 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.298 -0.202 -8.159 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.788 -1.246 -9.863 1.00 0.00 C ATOM 0 H VAL A 180 -1.676 -3.218 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.741 -0.613 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.019 -2.291 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.069 -0.110 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.768 -0.351 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.699 0.708 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.580 -1.139 -10.604 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.148 -0.364 -9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.194 -2.131 -10.092 1.00 0.00 H new ATOM 446 N ILE A 181 -2.387 -1.271 -5.000 1.00 0.00 N ATOM 447 CA ILE A 181 -2.909 -1.478 -3.655 1.00 0.00 C ATOM 448 C ILE A 181 -3.950 -0.423 -3.295 1.00 0.00 C ATOM 449 O ILE A 181 -3.821 0.744 -3.663 1.00 0.00 O ATOM 450 CB ILE A 181 -1.782 -1.447 -2.604 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.651 -2.392 -3.010 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.325 -1.817 -1.230 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.649 -2.126 -2.282 1.00 0.00 C ATOM 0 H ILE A 181 -1.566 -0.668 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.378 -2.462 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.382 -0.434 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.961 -3.420 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.482 -2.303 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.516 -1.790 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.099 -1.106 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.749 -2.820 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.406 -2.833 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.982 -1.110 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.496 -2.243 -1.209 1.00 0.00 H new ATOM 465 N THR A 182 -4.979 -0.844 -2.565 1.00 0.00 N ATOM 466 CA THR A 182 -6.041 0.063 -2.145 1.00 0.00 C ATOM 467 C THR A 182 -5.714 0.676 -0.789 1.00 0.00 C ATOM 468 O THR A 182 -5.927 0.054 0.253 1.00 0.00 O ATOM 469 CB THR A 182 -7.377 -0.679 -2.075 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.456 -1.665 -3.088 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.576 0.231 -2.226 1.00 0.00 C ATOM 0 H THR A 182 -5.099 -1.807 -2.252 1.00 0.00 H new ATOM 0 HA THR A 182 -6.120 0.863 -2.881 1.00 0.00 H new ATOM 0 HB THR A 182 -7.406 -1.129 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.039 -2.493 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.490 -0.359 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.572 0.974 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.531 0.735 -3.192 1.00 0.00 H new ATOM 479 N LEU A 183 -5.190 1.899 -0.808 1.00 0.00 N ATOM 480 CA LEU A 183 -4.825 2.595 0.422 1.00 0.00 C ATOM 481 C LEU A 183 -5.966 2.573 1.435 1.00 0.00 C ATOM 482 O LEU A 183 -7.080 3.006 1.142 1.00 0.00 O ATOM 483 CB LEU A 183 -4.434 4.041 0.116 1.00 0.00 C ATOM 484 CG LEU A 183 -3.830 4.808 1.297 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.541 4.148 1.764 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.582 6.257 0.914 1.00 0.00 C ATOM 0 H LEU A 183 -5.009 2.428 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.973 2.073 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.717 4.043 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.318 4.576 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.541 4.785 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.129 4.708 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.749 3.125 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.821 4.137 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.153 6.789 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.890 6.298 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.525 6.725 0.631 1.00 0.00 H new ATOM 498 N ILE A 184 -5.673 2.071 2.630 1.00 0.00 N ATOM 499 CA ILE A 184 -6.667 1.997 3.692 1.00 0.00 C ATOM 500 C ILE A 184 -6.653 3.272 4.530 1.00 0.00 C ATOM 501 O ILE A 184 -7.704 3.777 4.929 1.00 0.00 O ATOM 502 CB ILE A 184 -6.418 0.785 4.613 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.314 -0.501 3.792 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.524 0.665 5.653 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.579 -1.614 4.506 1.00 0.00 C ATOM 0 H ILE A 184 -4.754 1.709 2.886 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.641 1.882 3.216 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.473 0.940 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.317 -0.843 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.805 -0.283 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.330 -0.196 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.552 1.570 6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.483 0.535 5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.543 -2.495 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.564 -1.291 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.100 -1.859 5.431 1.00 0.00 H new ATOM 517 N ASN A 185 -5.456 3.790 4.786 1.00 0.00 N ATOM 518 CA ASN A 185 -5.297 5.010 5.569 1.00 0.00 C ATOM 519 C ASN A 185 -3.828 5.408 5.662 1.00 0.00 C ATOM 520 O ASN A 185 -2.945 4.666 5.234 1.00 0.00 O ATOM 521 CB ASN A 185 -5.883 4.828 6.973 1.00 0.00 C ATOM 522 CG ASN A 185 -5.116 3.812 7.796 1.00 0.00 C ATOM 523 OD1 ASN A 185 -4.358 4.170 8.697 1.00 0.00 O ATOM 524 ND2 ASN A 185 -5.313 2.536 7.490 1.00 0.00 N ATOM 0 H ASN A 185 -4.579 3.382 4.461 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.840 5.808 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.880 5.787 7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.923 4.513 6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -4.826 1.806 8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.951 2.285 6.735 1.00 0.00 H new ATOM 531 N LYS A 186 -3.575 6.585 6.226 1.00 0.00 N ATOM 532 CA LYS A 186 -2.214 7.083 6.378 1.00 0.00 C ATOM 533 C LYS A 186 -1.902 7.359 7.846 1.00 0.00 C ATOM 534 O LYS A 186 -1.534 8.474 8.217 1.00 0.00 O ATOM 535 CB LYS A 186 -2.020 8.358 5.555 1.00 0.00 C ATOM 536 CG LYS A 186 -1.725 8.096 4.088 1.00 0.00 C ATOM 537 CD LYS A 186 -1.443 9.387 3.336 1.00 0.00 C ATOM 538 CE LYS A 186 -2.635 10.329 3.380 1.00 0.00 C ATOM 539 NZ LYS A 186 -2.442 11.512 2.496 1.00 0.00 N ATOM 0 H LYS A 186 -4.296 7.211 6.585 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.528 6.318 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -2.918 8.971 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.202 8.936 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.867 7.429 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.573 7.586 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -0.573 9.879 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.196 9.159 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -3.533 9.792 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -2.795 10.664 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -3.277 12.129 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -1.599 12.040 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -2.315 11.194 1.514 1.00 0.00 H new ATOM 553 N ASP A 187 -2.054 6.333 8.677 1.00 0.00 N ATOM 554 CA ASP A 187 -1.792 6.463 10.106 1.00 0.00 C ATOM 555 C ASP A 187 -0.364 6.939 10.363 1.00 0.00 C ATOM 556 O ASP A 187 -0.065 7.483 11.425 1.00 0.00 O ATOM 557 CB ASP A 187 -2.031 5.127 10.813 1.00 0.00 C ATOM 558 CG ASP A 187 -2.238 5.290 12.304 1.00 0.00 C ATOM 559 OD1 ASP A 187 -1.636 6.214 12.891 1.00 0.00 O ATOM 560 OD2 ASP A 187 -3.003 4.495 12.889 1.00 0.00 O ATOM 0 H ASP A 187 -2.357 5.403 8.386 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.479 7.209 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -2.905 4.641 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.180 4.469 10.637 1.00 0.00 H new ATOM 565 N ASP A 188 0.512 6.732 9.385 1.00 0.00 N ATOM 566 CA ASP A 188 1.907 7.141 9.512 1.00 0.00 C ATOM 567 C ASP A 188 2.399 7.790 8.218 1.00 0.00 C ATOM 568 O ASP A 188 2.365 7.170 7.157 1.00 0.00 O ATOM 569 CB ASP A 188 2.784 5.937 9.857 1.00 0.00 C ATOM 570 CG ASP A 188 4.233 6.323 10.082 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.497 7.123 11.003 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.104 5.821 9.339 1.00 0.00 O ATOM 0 H ASP A 188 0.282 6.285 8.498 1.00 0.00 H new ATOM 0 HA ASP A 188 1.976 7.873 10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.396 5.453 10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.727 5.206 9.050 1.00 0.00 H new ATOM 577 N PRO A 189 2.866 9.051 8.285 1.00 0.00 N ATOM 578 CA PRO A 189 3.361 9.776 7.111 1.00 0.00 C ATOM 579 C PRO A 189 4.260 8.922 6.219 1.00 0.00 C ATOM 580 O PRO A 189 4.342 9.147 5.010 1.00 0.00 O ATOM 581 CB PRO A 189 4.155 10.925 7.728 1.00 0.00 C ATOM 582 CG PRO A 189 3.469 11.198 9.020 1.00 0.00 C ATOM 583 CD PRO A 189 2.947 9.873 9.510 1.00 0.00 C ATOM 0 HA PRO A 189 2.549 10.093 6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.198 10.649 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 189 4.150 11.803 7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.159 11.635 9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 189 2.655 11.911 8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.615 9.428 10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 189 1.972 9.978 9.986 1.00 0.00 H new ATOM 591 N ASN A 190 4.935 7.946 6.817 1.00 0.00 N ATOM 592 CA ASN A 190 5.829 7.068 6.068 1.00 0.00 C ATOM 593 C ASN A 190 5.185 5.711 5.815 1.00 0.00 C ATOM 594 O ASN A 190 5.260 5.173 4.710 1.00 0.00 O ATOM 595 CB ASN A 190 7.142 6.877 6.824 1.00 0.00 C ATOM 596 CG ASN A 190 8.123 7.999 6.563 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.391 8.824 7.438 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.665 8.033 5.354 1.00 0.00 N ATOM 0 H ASN A 190 4.881 7.743 7.815 1.00 0.00 H new ATOM 0 HA ASN A 190 6.029 7.541 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.938 6.817 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.592 5.928 6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.335 8.764 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.412 7.328 4.662 1.00 0.00 H new ATOM 605 N TRP A 191 4.566 5.161 6.848 1.00 0.00 N ATOM 606 CA TRP A 191 3.918 3.861 6.746 1.00 0.00 C ATOM 607 C TRP A 191 2.437 4.008 6.416 1.00 0.00 C ATOM 608 O TRP A 191 1.645 4.439 7.253 1.00 0.00 O ATOM 609 CB TRP A 191 4.094 3.082 8.051 1.00 0.00 C ATOM 610 CG TRP A 191 5.415 2.384 8.151 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.624 2.954 8.422 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.659 0.983 7.978 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.607 1.994 8.429 1.00 0.00 N ATOM 614 CE2 TRP A 191 7.040 0.776 8.159 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.846 -0.116 7.689 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.624 -0.483 8.060 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.427 -1.367 7.592 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.804 -1.542 7.777 1.00 0.00 C ATOM 0 H TRP A 191 4.498 5.595 7.769 1.00 0.00 H new ATOM 0 HA TRP A 191 4.391 3.309 5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.988 3.767 8.892 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.295 2.346 8.137 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.785 4.006 8.604 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.598 2.161 8.606 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.783 0.009 7.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.686 -0.620 8.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.808 -2.224 7.370 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.227 -2.532 7.695 1.00 0.00 H new ATOM 629 N TRP A 192 2.073 3.649 5.191 1.00 0.00 N ATOM 630 CA TRP A 192 0.689 3.740 4.745 1.00 0.00 C ATOM 631 C TRP A 192 0.034 2.365 4.706 1.00 0.00 C ATOM 632 O TRP A 192 0.664 1.376 4.328 1.00 0.00 O ATOM 633 CB TRP A 192 0.618 4.386 3.359 1.00 0.00 C ATOM 634 CG TRP A 192 0.949 5.846 3.363 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.440 6.573 4.407 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.813 6.758 2.265 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.622 7.882 4.026 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.244 8.020 2.717 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.371 6.628 0.946 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.244 9.143 1.894 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.373 7.745 0.130 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.807 8.987 0.607 1.00 0.00 C ATOM 0 H TRP A 192 2.719 3.291 4.487 1.00 0.00 H new ATOM 0 HA TRP A 192 0.148 4.361 5.459 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.305 3.868 2.690 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.385 4.250 2.954 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.655 6.179 5.389 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.980 8.629 4.622 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.034 5.673 0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.577 10.103 2.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.034 7.657 -0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.797 9.840 -0.055 1.00 0.00 H new ATOM 653 N GLU A 193 -1.234 2.310 5.091 1.00 0.00 N ATOM 654 CA GLU A 193 -1.980 1.058 5.095 1.00 0.00 C ATOM 655 C GLU A 193 -2.669 0.851 3.750 1.00 0.00 C ATOM 656 O GLU A 193 -3.084 1.813 3.106 1.00 0.00 O ATOM 657 CB GLU A 193 -3.012 1.060 6.222 1.00 0.00 C ATOM 658 CG GLU A 193 -3.508 -0.328 6.598 1.00 0.00 C ATOM 659 CD GLU A 193 -3.240 -0.671 8.051 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.187 0.260 8.881 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.081 -1.872 8.357 1.00 0.00 O ATOM 0 H GLU A 193 -1.769 3.120 5.405 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.283 0.237 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.575 1.531 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.863 1.672 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.579 -0.391 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.025 -1.067 5.959 1.00 0.00 H new ATOM 668 N GLY A 194 -2.782 -0.404 3.324 1.00 0.00 N ATOM 669 CA GLY A 194 -3.418 -0.687 2.051 1.00 0.00 C ATOM 670 C GLY A 194 -4.066 -2.054 2.007 1.00 0.00 C ATOM 671 O GLY A 194 -3.715 -2.943 2.782 1.00 0.00 O ATOM 0 H GLY A 194 -2.448 -1.223 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.172 0.074 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.675 -0.617 1.256 1.00 0.00 H new ATOM 675 N GLN A 195 -5.019 -2.221 1.097 1.00 0.00 N ATOM 676 CA GLN A 195 -5.726 -3.486 0.948 1.00 0.00 C ATOM 677 C GLN A 195 -5.578 -4.036 -0.465 1.00 0.00 C ATOM 678 O GLN A 195 -6.180 -3.522 -1.408 1.00 0.00 O ATOM 679 CB GLN A 195 -7.202 -3.309 1.278 1.00 0.00 C ATOM 680 CG GLN A 195 -7.890 -4.599 1.692 1.00 0.00 C ATOM 681 CD GLN A 195 -9.240 -4.360 2.341 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.505 -3.278 2.868 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.101 -5.370 2.304 1.00 0.00 N ATOM 0 H GLN A 195 -5.320 -1.493 0.449 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.284 -4.199 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.301 -2.580 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.714 -2.897 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -8.020 -5.234 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.248 -5.141 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.838 -6.248 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.025 -5.268 2.723 1.00 0.00 H new ATOM 692 N LEU A 196 -4.778 -5.088 -0.605 1.00 0.00 N ATOM 693 CA LEU A 196 -4.562 -5.711 -1.904 1.00 0.00 C ATOM 694 C LEU A 196 -5.624 -6.770 -2.174 1.00 0.00 C ATOM 695 O LEU A 196 -5.498 -7.914 -1.738 1.00 0.00 O ATOM 696 CB LEU A 196 -3.168 -6.341 -1.969 1.00 0.00 C ATOM 697 CG LEU A 196 -2.486 -6.267 -3.337 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.177 -7.042 -3.323 1.00 0.00 C ATOM 699 CD2 LEU A 196 -3.408 -6.798 -4.425 1.00 0.00 C ATOM 0 H LEU A 196 -4.270 -5.526 0.164 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.636 -4.938 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.530 -5.850 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.245 -7.388 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.266 -5.222 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.706 -6.978 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.511 -6.617 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.375 -8.087 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.905 -6.737 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.661 -7.837 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -4.320 -6.201 -4.453 1.00 0.00 H new ATOM 711 N ASN A 197 -6.674 -6.378 -2.890 1.00 0.00 N ATOM 712 CA ASN A 197 -7.771 -7.287 -3.221 1.00 0.00 C ATOM 713 C ASN A 197 -8.696 -7.487 -2.024 1.00 0.00 C ATOM 714 O ASN A 197 -9.890 -7.202 -2.098 1.00 0.00 O ATOM 715 CB ASN A 197 -7.232 -8.640 -3.698 1.00 0.00 C ATOM 716 CG ASN A 197 -8.145 -9.301 -4.711 1.00 0.00 C ATOM 717 OD1 ASN A 197 -8.913 -8.631 -5.402 1.00 0.00 O ATOM 718 ND2 ASN A 197 -8.065 -10.623 -4.806 1.00 0.00 N ATOM 0 H ASN A 197 -6.790 -5.432 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.344 -6.833 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.245 -8.500 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.107 -9.301 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -8.654 -11.123 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -7.414 -11.138 -4.213 1.00 0.00 H new ATOM 725 N ASN A 198 -8.135 -7.980 -0.928 1.00 0.00 N ATOM 726 CA ASN A 198 -8.913 -8.221 0.284 1.00 0.00 C ATOM 727 C ASN A 198 -8.046 -8.117 1.537 1.00 0.00 C ATOM 728 O ASN A 198 -8.488 -7.606 2.567 1.00 0.00 O ATOM 729 CB ASN A 198 -9.575 -9.599 0.224 1.00 0.00 C ATOM 730 CG ASN A 198 -10.825 -9.604 -0.631 1.00 0.00 C ATOM 731 OD1 ASN A 198 -10.782 -9.939 -1.815 1.00 0.00 O ATOM 732 ND2 ASN A 198 -11.951 -9.228 -0.036 1.00 0.00 N ATOM 0 H ASN A 198 -7.147 -8.221 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.683 -7.451 0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -8.864 -10.323 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -9.828 -9.921 1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -12.824 -9.209 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -11.943 -8.958 0.948 1.00 0.00 H new ATOM 739 N ARG A 199 -6.814 -8.608 1.445 1.00 0.00 N ATOM 740 CA ARG A 199 -5.893 -8.578 2.573 1.00 0.00 C ATOM 741 C ARG A 199 -5.444 -7.152 2.882 1.00 0.00 C ATOM 742 O ARG A 199 -5.164 -6.367 1.976 1.00 0.00 O ATOM 743 CB ARG A 199 -4.678 -9.453 2.273 1.00 0.00 C ATOM 744 CG ARG A 199 -3.902 -9.018 1.040 1.00 0.00 C ATOM 745 CD ARG A 199 -2.743 -9.959 0.750 1.00 0.00 C ATOM 746 NE ARG A 199 -2.443 -10.034 -0.677 1.00 0.00 N ATOM 747 CZ ARG A 199 -1.549 -10.867 -1.203 1.00 0.00 C ATOM 748 NH1 ARG A 199 -0.865 -11.697 -0.425 1.00 0.00 N ATOM 749 NH2 ARG A 199 -1.336 -10.871 -2.513 1.00 0.00 N ATOM 0 H ARG A 199 -6.431 -9.031 0.600 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.414 -8.966 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -4.011 -9.441 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -5.007 -10.483 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -4.571 -8.987 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.523 -8.006 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -1.858 -9.621 1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -2.983 -10.955 1.123 1.00 0.00 H new ATOM 0 HE ARG A 199 -2.948 -9.411 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -1.023 -11.699 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -0.181 -12.333 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -1.858 -10.235 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -0.651 -11.510 -2.916 1.00 0.00 H new ATOM 763 N ARG A 200 -5.377 -6.829 4.171 1.00 0.00 N ATOM 764 CA ARG A 200 -4.961 -5.504 4.614 1.00 0.00 C ATOM 765 C ARG A 200 -3.560 -5.556 5.220 1.00 0.00 C ATOM 766 O ARG A 200 -3.072 -6.628 5.577 1.00 0.00 O ATOM 767 CB ARG A 200 -5.952 -4.962 5.645 1.00 0.00 C ATOM 768 CG ARG A 200 -7.134 -4.228 5.032 1.00 0.00 C ATOM 769 CD ARG A 200 -8.414 -5.042 5.140 1.00 0.00 C ATOM 770 NE ARG A 200 -8.648 -5.517 6.502 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.677 -6.284 6.853 1.00 0.00 C ATOM 772 NH1 ARG A 200 -10.569 -6.664 5.947 1.00 0.00 N ATOM 773 NH2 ARG A 200 -9.815 -6.671 8.113 1.00 0.00 N ATOM 0 H ARG A 200 -5.607 -7.471 4.929 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.943 -4.841 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.324 -5.790 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.427 -4.286 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.268 -3.270 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -6.926 -4.013 3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -9.259 -4.433 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.360 -5.895 4.463 1.00 0.00 H new ATOM 0 HE ARG A 200 -7.983 -5.245 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.468 -6.368 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -11.356 -7.252 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -9.133 -6.381 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -10.604 -7.259 8.382 1.00 0.00 H new ATOM 787 N GLY A 201 -2.916 -4.398 5.332 1.00 0.00 N ATOM 788 CA GLY A 201 -1.579 -4.354 5.895 1.00 0.00 C ATOM 789 C GLY A 201 -0.930 -2.990 5.766 1.00 0.00 C ATOM 790 O GLY A 201 -1.357 -2.168 4.956 1.00 0.00 O ATOM 0 H GLY A 201 -3.293 -3.495 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.624 -4.631 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.956 -5.096 5.396 1.00 0.00 H new ATOM 794 N ILE A 202 0.109 -2.754 6.560 1.00 0.00 N ATOM 795 CA ILE A 202 0.825 -1.485 6.521 1.00 0.00 C ATOM 796 C ILE A 202 2.178 -1.645 5.841 1.00 0.00 C ATOM 797 O ILE A 202 2.757 -2.731 5.838 1.00 0.00 O ATOM 798 CB ILE A 202 1.042 -0.909 7.935 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.763 -1.926 8.822 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.288 -0.506 8.553 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.888 -1.325 9.635 1.00 0.00 C ATOM 0 H ILE A 202 0.473 -3.424 7.237 1.00 0.00 H new ATOM 0 HA ILE A 202 0.207 -0.793 5.950 1.00 0.00 H new ATOM 0 HB ILE A 202 1.667 -0.020 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 202 1.041 -2.384 9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.163 -2.723 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.118 -0.101 9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.764 0.252 7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -0.937 -1.379 8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.355 -2.102 10.240 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.630 -0.892 8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.491 -0.547 10.287 1.00 0.00 H new ATOM 813 N PHE A 203 2.678 -0.562 5.259 1.00 0.00 N ATOM 814 CA PHE A 203 3.962 -0.594 4.571 1.00 0.00 C ATOM 815 C PHE A 203 4.433 0.814 4.220 1.00 0.00 C ATOM 816 O PHE A 203 3.619 1.700 3.952 1.00 0.00 O ATOM 817 CB PHE A 203 3.852 -1.435 3.296 1.00 0.00 C ATOM 818 CG PHE A 203 3.013 -0.792 2.226 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.521 0.243 1.455 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.716 -1.219 1.995 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.749 0.836 0.473 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.940 -0.629 1.017 1.00 0.00 C ATOM 823 CZ PHE A 203 1.456 0.400 0.254 1.00 0.00 C ATOM 0 H PHE A 203 2.215 0.347 5.250 1.00 0.00 H new ATOM 0 HA PHE A 203 4.694 -1.044 5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.852 -1.617 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.426 -2.407 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.530 0.589 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.306 -2.024 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.156 1.640 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.070 -0.972 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.851 0.863 -0.512 1.00 0.00 H new ATOM 833 N PRO A 204 5.757 1.038 4.196 1.00 0.00 N ATOM 834 CA PRO A 204 6.323 2.344 3.852 1.00 0.00 C ATOM 835 C PRO A 204 5.867 2.801 2.472 1.00 0.00 C ATOM 836 O PRO A 204 6.269 2.228 1.458 1.00 0.00 O ATOM 837 CB PRO A 204 7.837 2.102 3.866 1.00 0.00 C ATOM 838 CG PRO A 204 8.024 0.883 4.704 1.00 0.00 C ATOM 839 CD PRO A 204 6.801 0.040 4.483 1.00 0.00 C ATOM 0 HA PRO A 204 6.008 3.126 4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.222 1.951 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.369 2.955 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.927 0.345 4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.133 1.145 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.934 -0.654 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.558 -0.557 5.362 1.00 0.00 H new ATOM 847 N SER A 205 5.019 3.822 2.436 1.00 0.00 N ATOM 848 CA SER A 205 4.501 4.339 1.175 1.00 0.00 C ATOM 849 C SER A 205 5.632 4.704 0.219 1.00 0.00 C ATOM 850 O SER A 205 5.442 4.740 -0.995 1.00 0.00 O ATOM 851 CB SER A 205 3.613 5.554 1.423 1.00 0.00 C ATOM 852 OG SER A 205 4.100 6.335 2.501 1.00 0.00 O ATOM 0 H SER A 205 4.676 4.308 3.265 1.00 0.00 H new ATOM 0 HA SER A 205 3.906 3.552 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.567 6.164 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.596 5.226 1.639 1.00 0.00 H new ATOM 0 HG SER A 205 3.346 6.658 3.037 1.00 0.00 H new ATOM 858 N ASN A 206 6.814 4.965 0.768 1.00 0.00 N ATOM 859 CA ASN A 206 7.968 5.312 -0.049 1.00 0.00 C ATOM 860 C ASN A 206 8.319 4.174 -1.008 1.00 0.00 C ATOM 861 O ASN A 206 9.059 4.369 -1.973 1.00 0.00 O ATOM 862 CB ASN A 206 9.171 5.644 0.837 1.00 0.00 C ATOM 863 CG ASN A 206 9.678 4.448 1.603 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.175 3.335 1.454 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.686 4.675 2.432 1.00 0.00 N ATOM 0 H ASN A 206 6.996 4.943 1.771 1.00 0.00 H new ATOM 0 HA ASN A 206 7.712 6.192 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 206 9.975 6.041 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 206 8.893 6.429 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.078 3.909 2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.070 5.615 2.522 1.00 0.00 H new ATOM 872 N TYR A 207 7.784 2.983 -0.737 1.00 0.00 N ATOM 873 CA TYR A 207 8.043 1.820 -1.576 1.00 0.00 C ATOM 874 C TYR A 207 6.954 1.643 -2.629 1.00 0.00 C ATOM 875 O TYR A 207 6.756 0.543 -3.146 1.00 0.00 O ATOM 876 CB TYR A 207 8.128 0.562 -0.710 1.00 0.00 C ATOM 877 CG TYR A 207 9.537 0.052 -0.512 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.350 -0.238 -1.601 1.00 0.00 C ATOM 879 CD2 TYR A 207 10.055 -0.138 0.763 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.639 -0.704 -1.426 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.344 -0.603 0.946 1.00 0.00 C ATOM 882 CZ TYR A 207 12.131 -0.884 -0.150 1.00 0.00 C ATOM 883 OH TYR A 207 13.414 -1.348 0.028 1.00 0.00 O ATOM 0 H TYR A 207 7.170 2.802 0.057 1.00 0.00 H new ATOM 0 HA TYR A 207 8.992 1.979 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.687 0.773 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.528 -0.224 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 207 9.968 -0.097 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.441 0.081 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.258 -0.926 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.733 -0.745 1.944 1.00 0.00 H new ATOM 0 HH TYR A 207 13.607 -1.418 0.986 1.00 0.00 H new ATOM 893 N VAL A 208 6.244 2.722 -2.943 1.00 0.00 N ATOM 894 CA VAL A 208 5.176 2.661 -3.930 1.00 0.00 C ATOM 895 C VAL A 208 5.013 3.995 -4.659 1.00 0.00 C ATOM 896 O VAL A 208 5.857 4.884 -4.541 1.00 0.00 O ATOM 897 CB VAL A 208 3.834 2.261 -3.273 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.024 1.056 -2.364 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.240 3.422 -2.490 1.00 0.00 C ATOM 0 H VAL A 208 6.389 3.643 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 208 5.455 1.899 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 208 3.138 1.995 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.070 0.788 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.397 0.215 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.742 1.300 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.297 3.112 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.934 3.726 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.062 4.261 -3.162 1.00 0.00 H new ATOM 909 N ALA A 209 3.925 4.125 -5.410 1.00 0.00 N ATOM 910 CA ALA A 209 3.649 5.346 -6.156 1.00 0.00 C ATOM 911 C ALA A 209 2.158 5.472 -6.463 1.00 0.00 C ATOM 912 O ALA A 209 1.613 4.700 -7.252 1.00 0.00 O ATOM 913 CB ALA A 209 4.457 5.367 -7.444 1.00 0.00 C ATOM 0 H ALA A 209 3.218 3.397 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 209 3.942 6.197 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.243 6.284 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.520 5.326 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.188 4.506 -8.056 1.00 0.00 H new ATOM 919 N PRO A 210 1.471 6.451 -5.842 1.00 0.00 N ATOM 920 CA PRO A 210 0.037 6.667 -6.060 1.00 0.00 C ATOM 921 C PRO A 210 -0.336 6.680 -7.539 1.00 0.00 C ATOM 922 O PRO A 210 0.182 7.485 -8.313 1.00 0.00 O ATOM 923 CB PRO A 210 -0.209 8.038 -5.431 1.00 0.00 C ATOM 924 CG PRO A 210 0.822 8.147 -4.363 1.00 0.00 C ATOM 925 CD PRO A 210 2.035 7.423 -4.883 1.00 0.00 C ATOM 0 HA PRO A 210 -0.566 5.868 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.106 8.836 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.216 8.112 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 210 1.053 9.190 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.470 7.700 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.733 8.106 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.580 6.926 -4.081 1.00 0.00 H new ATOM 933 N TYR A 211 -1.235 5.781 -7.923 1.00 0.00 N ATOM 934 CA TYR A 211 -1.680 5.684 -9.308 1.00 0.00 C ATOM 935 C TYR A 211 -3.007 6.410 -9.507 1.00 0.00 C ATOM 936 O TYR A 211 -3.069 7.438 -10.182 1.00 0.00 O ATOM 937 CB TYR A 211 -1.821 4.217 -9.716 1.00 0.00 C ATOM 938 CG TYR A 211 -2.267 4.023 -11.149 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.614 4.666 -12.192 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.338 3.195 -11.457 1.00 0.00 C ATOM 941 CE1 TYR A 211 -2.018 4.492 -13.502 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.748 3.014 -12.764 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.085 3.665 -13.784 1.00 0.00 C ATOM 944 OH TYR A 211 -3.489 3.489 -15.085 1.00 0.00 O ATOM 0 H TYR A 211 -1.671 5.108 -7.293 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.930 6.160 -9.939 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.864 3.716 -9.572 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.538 3.732 -9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.777 5.313 -11.976 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.860 2.684 -10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.500 5.001 -14.301 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.583 2.366 -12.986 1.00 0.00 H new ATOM 0 HH TYR A 211 -4.080 2.710 -15.141 1.00 0.00 H new ATOM 954 N ASN A 212 -4.067 5.867 -8.914 1.00 0.00 N ATOM 955 CA ASN A 212 -5.393 6.461 -9.025 1.00 0.00 C ATOM 956 C ASN A 212 -5.851 6.485 -10.479 1.00 0.00 C ATOM 957 O ASN A 212 -5.859 7.536 -11.121 1.00 0.00 O ATOM 958 CB ASN A 212 -5.385 7.878 -8.447 1.00 0.00 C ATOM 959 CG ASN A 212 -6.731 8.566 -8.576 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.626 8.366 -7.755 1.00 0.00 O ATOM 961 ND2 ASN A 212 -6.881 9.386 -9.611 1.00 0.00 N ATOM 0 H ASN A 212 -4.032 5.017 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 212 -6.094 5.852 -8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.101 7.836 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.627 8.471 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -7.764 9.878 -9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -6.113 9.523 -10.268 1.00 0.00 H new ATOM 968 N SER A 213 -6.227 5.320 -10.993 1.00 0.00 N ATOM 969 CA SER A 213 -6.683 5.204 -12.373 1.00 0.00 C ATOM 970 C SER A 213 -7.887 6.106 -12.627 1.00 0.00 C ATOM 971 O SER A 213 -8.304 6.863 -11.752 1.00 0.00 O ATOM 972 CB SER A 213 -7.043 3.751 -12.693 1.00 0.00 C ATOM 973 OG SER A 213 -6.856 3.472 -14.070 1.00 0.00 O ATOM 0 H SER A 213 -6.225 4.442 -10.475 1.00 0.00 H new ATOM 0 HA SER A 213 -5.870 5.522 -13.025 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.426 3.080 -12.095 1.00 0.00 H new ATOM 0 HB3 SER A 213 -8.080 3.561 -12.417 1.00 0.00 H new ATOM 0 HG SER A 213 -5.921 3.224 -14.230 1.00 0.00 H new ATOM 979 N ASN A 214 -8.442 6.017 -13.832 1.00 0.00 N ATOM 980 CA ASN A 214 -9.598 6.825 -14.201 1.00 0.00 C ATOM 981 C ASN A 214 -10.897 6.070 -13.938 1.00 0.00 C ATOM 982 O ASN A 214 -11.014 4.917 -14.401 1.00 0.00 O ATOM 983 CB ASN A 214 -9.517 7.223 -15.676 1.00 0.00 C ATOM 984 CG ASN A 214 -10.128 8.586 -15.942 1.00 0.00 C ATOM 985 OD1 ASN A 214 -11.257 8.689 -16.424 1.00 0.00 O ATOM 986 ND2 ASN A 214 -9.385 9.640 -15.626 1.00 0.00 N ATOM 987 OXT ASN A 214 -11.785 6.638 -13.270 1.00 0.00 O ATOM 0 H ASN A 214 -8.110 5.394 -14.568 1.00 0.00 H new ATOM 0 HA ASN A 214 -9.591 7.725 -13.587 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -8.474 7.228 -15.991 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -10.029 6.474 -16.280 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -9.744 10.582 -15.780 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -8.455 9.508 -15.229 1.00 0.00 H new TER 994 ASN A 214