USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 Single : A 15 SER OG : rot 180:sc= 0.4 USER MOD Single : A 20 GLN : amide:sc= 0.0725 X(o=0.073,f=0) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.134 (180deg=-1.45) USER MOD Single : A 34 MET CE :methyl -172:sc= 0 (180deg=-0.125) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 170:sc= 0 USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.812 USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 1.33 (180deg=1.06) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 2.1 (180deg=2.06) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : B 115 SER OG : rot 180:sc= -0.0139 USER MOD Single : B 120 GLN : amide:sc= 0.0174 X(o=0.017,f=0) USER MOD Single : B 122 MET CE :methyl 168:sc= -0.425 (180deg=-0.632) USER MOD Single : B 133 SER OG : rot 26:sc= 0.0126 USER MOD Single : B 134 MET CE :methyl -171:sc= -0.0242 (180deg=-0.309) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 144 SER OG : rot 180:sc= 0 USER MOD Single : B 146 THR OG1 : rot 77:sc= 0.5 USER MOD Single : B 149 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.742) USER MOD Single : B 152 LYS NZ :NH3+ -164:sc= 2.19 (180deg=1.96) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 156 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.170 12.624 -0.024 1.00 0.00 N ATOM 115 CA PRO A 10 -10.229 11.814 -0.638 1.00 0.00 C ATOM 116 C PRO A 10 -9.727 10.518 -1.294 1.00 0.00 C ATOM 117 O PRO A 10 -8.565 10.387 -1.686 1.00 0.00 O ATOM 118 CB PRO A 10 -10.950 12.735 -1.634 1.00 0.00 C ATOM 119 CG PRO A 10 -9.919 13.817 -1.940 1.00 0.00 C ATOM 120 CD PRO A 10 -9.171 13.956 -0.615 1.00 0.00 C ATOM 0 HA PRO A 10 -10.909 11.452 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.245 12.197 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.858 13.158 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.253 13.523 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.391 14.753 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.154 14.315 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.664 14.675 0.040 1.00 0.00 H new ATOM 128 N ILE A 11 -10.633 9.545 -1.424 1.00 0.00 N ATOM 129 CA ILE A 11 -10.330 8.178 -1.876 1.00 0.00 C ATOM 130 C ILE A 11 -9.753 8.116 -3.300 1.00 0.00 C ATOM 131 O ILE A 11 -8.850 7.322 -3.571 1.00 0.00 O ATOM 132 CB ILE A 11 -11.579 7.282 -1.714 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.183 5.808 -1.931 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.748 7.688 -2.632 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.250 4.821 -1.454 1.00 0.00 C ATOM 0 H ILE A 11 -11.621 9.686 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.535 7.794 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.949 7.418 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.992 5.642 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.250 5.608 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.591 7.017 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.049 8.711 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.432 7.623 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.910 3.801 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.424 4.961 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.177 4.996 -1.999 1.00 0.00 H new ATOM 147 N ASP A 12 -10.213 8.991 -4.201 1.00 0.00 N ATOM 148 CA ASP A 12 -9.681 9.087 -5.566 1.00 0.00 C ATOM 149 C ASP A 12 -8.225 9.595 -5.576 1.00 0.00 C ATOM 150 O ASP A 12 -7.422 9.170 -6.403 1.00 0.00 O ATOM 151 CB ASP A 12 -10.585 10.019 -6.388 1.00 0.00 C ATOM 152 CG ASP A 12 -10.226 10.029 -7.885 1.00 0.00 C ATOM 153 OD1 ASP A 12 -10.231 11.127 -8.495 1.00 0.00 O ATOM 154 OD2 ASP A 12 -9.985 8.943 -8.461 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.964 9.653 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.674 8.092 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.623 9.708 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.509 11.032 -5.994 1.00 0.00 H new ATOM 159 N GLU A 13 -7.853 10.466 -4.628 1.00 0.00 N ATOM 160 CA GLU A 13 -6.486 10.999 -4.513 1.00 0.00 C ATOM 161 C GLU A 13 -5.501 9.945 -3.990 1.00 0.00 C ATOM 162 O GLU A 13 -4.478 9.712 -4.634 1.00 0.00 O ATOM 163 CB GLU A 13 -6.480 12.294 -3.680 1.00 0.00 C ATOM 164 CG GLU A 13 -5.090 12.948 -3.650 1.00 0.00 C ATOM 165 CD GLU A 13 -5.114 14.442 -3.253 1.00 0.00 C ATOM 166 OE1 GLU A 13 -6.050 14.895 -2.549 1.00 0.00 O ATOM 167 OE2 GLU A 13 -4.177 15.185 -3.644 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.492 10.822 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.134 11.258 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.203 12.996 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.799 12.072 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.458 12.405 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.631 12.850 -4.634 1.00 0.00 H new ATOM 174 N LEU A 14 -5.803 9.248 -2.884 1.00 0.00 N ATOM 175 CA LEU A 14 -4.926 8.177 -2.369 1.00 0.00 C ATOM 176 C LEU A 14 -4.835 6.967 -3.322 1.00 0.00 C ATOM 177 O LEU A 14 -3.763 6.371 -3.450 1.00 0.00 O ATOM 178 CB LEU A 14 -5.301 7.798 -0.924 1.00 0.00 C ATOM 179 CG LEU A 14 -6.689 7.170 -0.701 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.617 5.648 -0.676 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.275 7.619 0.636 1.00 0.00 C ATOM 0 H LEU A 14 -6.644 9.404 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.912 8.575 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.551 7.101 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.234 8.696 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.316 7.499 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.615 5.239 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.224 5.287 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.960 5.328 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.256 7.164 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.614 7.309 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.374 8.704 0.644 1.00 0.00 H new ATOM 193 N SER A 15 -5.914 6.651 -4.049 1.00 0.00 N ATOM 194 CA SER A 15 -5.905 5.672 -5.149 1.00 0.00 C ATOM 195 C SER A 15 -4.969 6.097 -6.285 1.00 0.00 C ATOM 196 O SER A 15 -4.146 5.300 -6.746 1.00 0.00 O ATOM 197 CB SER A 15 -7.323 5.473 -5.688 1.00 0.00 C ATOM 198 OG SER A 15 -7.308 4.682 -6.870 1.00 0.00 O ATOM 0 H SER A 15 -6.830 7.072 -3.890 1.00 0.00 H new ATOM 0 HA SER A 15 -5.532 4.730 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.941 4.991 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.776 6.442 -5.899 1.00 0.00 H new ATOM 0 HG SER A 15 -8.224 4.566 -7.197 1.00 0.00 H new ATOM 204 N ALA A 16 -5.051 7.348 -6.741 1.00 0.00 N ATOM 205 CA ALA A 16 -4.150 7.850 -7.778 1.00 0.00 C ATOM 206 C ALA A 16 -2.690 7.924 -7.299 1.00 0.00 C ATOM 207 O ALA A 16 -1.786 7.674 -8.090 1.00 0.00 O ATOM 208 CB ALA A 16 -4.647 9.218 -8.258 1.00 0.00 C ATOM 0 H ALA A 16 -5.732 8.031 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.160 7.147 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.979 9.597 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.653 9.117 -8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.663 9.914 -7.419 1.00 0.00 H new ATOM 214 N LEU A 17 -2.434 8.245 -6.027 1.00 0.00 N ATOM 215 CA LEU A 17 -1.089 8.292 -5.441 1.00 0.00 C ATOM 216 C LEU A 17 -0.424 6.912 -5.454 1.00 0.00 C ATOM 217 O LEU A 17 0.676 6.800 -5.991 1.00 0.00 O ATOM 218 CB LEU A 17 -1.134 8.889 -4.015 1.00 0.00 C ATOM 219 CG LEU A 17 -0.671 10.359 -3.930 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.503 11.321 -4.775 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.721 10.826 -2.477 1.00 0.00 C ATOM 0 H LEU A 17 -3.170 8.484 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.475 8.948 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.153 8.818 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.507 8.284 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 17 0.344 10.378 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.115 12.333 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.447 11.026 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.541 11.291 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.394 11.864 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.742 10.745 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.063 10.203 -1.872 1.00 0.00 H new ATOM 233 N LEU A 18 -1.061 5.850 -4.937 1.00 0.00 N ATOM 234 CA LEU A 18 -0.435 4.517 -4.911 1.00 0.00 C ATOM 235 C LEU A 18 -0.156 3.982 -6.331 1.00 0.00 C ATOM 236 O LEU A 18 0.880 3.356 -6.562 1.00 0.00 O ATOM 237 CB LEU A 18 -1.254 3.551 -4.024 1.00 0.00 C ATOM 238 CG LEU A 18 -2.552 2.983 -4.629 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.348 1.638 -5.332 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.592 2.776 -3.536 1.00 0.00 C ATOM 0 H LEU A 18 -1.998 5.886 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 18 0.548 4.601 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.612 2.714 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.509 4.071 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.884 3.714 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.299 1.291 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.630 1.757 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.970 0.907 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.506 2.374 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.207 2.076 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.809 3.730 -3.055 1.00 0.00 H new ATOM 252 N ARG A 19 -1.040 4.269 -7.297 1.00 0.00 N ATOM 253 CA ARG A 19 -0.871 3.876 -8.705 1.00 0.00 C ATOM 254 C ARG A 19 0.227 4.682 -9.412 1.00 0.00 C ATOM 255 O ARG A 19 1.023 4.090 -10.141 1.00 0.00 O ATOM 256 CB ARG A 19 -2.234 3.944 -9.423 1.00 0.00 C ATOM 257 CG ARG A 19 -3.177 2.848 -8.880 1.00 0.00 C ATOM 258 CD ARG A 19 -4.541 2.819 -9.563 1.00 0.00 C ATOM 259 NE ARG A 19 -5.381 3.973 -9.208 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.874 4.898 -10.008 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.602 5.848 -9.497 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -5.653 4.926 -11.290 1.00 0.00 N ATOM 0 H ARG A 19 -1.902 4.786 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.522 2.844 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.683 4.926 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.095 3.815 -10.496 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.699 1.876 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.319 3.001 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.401 2.796 -10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.060 1.900 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.611 4.070 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.783 5.868 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.992 6.572 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.073 4.208 -11.723 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.060 5.666 -11.862 1.00 0.00 H new ATOM 276 N GLN A 20 0.366 5.979 -9.121 1.00 0.00 N ATOM 277 CA GLN A 20 1.488 6.809 -9.590 1.00 0.00 C ATOM 278 C GLN A 20 2.831 6.455 -8.919 1.00 0.00 C ATOM 279 O GLN A 20 3.871 6.578 -9.569 1.00 0.00 O ATOM 280 CB GLN A 20 1.165 8.300 -9.379 1.00 0.00 C ATOM 281 CG GLN A 20 0.154 8.825 -10.418 1.00 0.00 C ATOM 282 CD GLN A 20 -0.317 10.239 -10.096 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.015 11.210 -10.764 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.088 10.410 -9.041 1.00 0.00 N ATOM 0 H GLN A 20 -0.303 6.491 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 20 1.609 6.600 -10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.763 8.445 -8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.084 8.882 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.612 8.812 -11.407 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.706 8.157 -10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.369 9.606 -8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.404 11.346 -8.786 1.00 0.00 H new ATOM 293 N GLU A 21 2.846 5.947 -7.679 1.00 0.00 N ATOM 294 CA GLU A 21 4.058 5.392 -7.042 1.00 0.00 C ATOM 295 C GLU A 21 4.564 4.129 -7.772 1.00 0.00 C ATOM 296 O GLU A 21 5.774 3.897 -7.836 1.00 0.00 O ATOM 297 CB GLU A 21 3.805 5.086 -5.552 1.00 0.00 C ATOM 298 CG GLU A 21 3.693 6.333 -4.654 1.00 0.00 C ATOM 299 CD GLU A 21 5.035 7.030 -4.344 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.029 7.963 -3.506 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.087 6.657 -4.916 1.00 0.00 O1- ATOM 0 H GLU A 21 2.018 5.907 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 21 4.836 6.151 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.886 4.507 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.615 4.458 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.029 7.051 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.223 6.045 -3.713 1.00 0.00 H new ATOM 308 N MET A 22 3.662 3.353 -8.385 1.00 0.00 N ATOM 309 CA MET A 22 3.985 2.257 -9.322 1.00 0.00 C ATOM 310 C MET A 22 4.185 2.713 -10.785 1.00 0.00 C ATOM 311 O MET A 22 4.495 1.887 -11.648 1.00 0.00 O ATOM 312 CB MET A 22 2.910 1.163 -9.208 1.00 0.00 C ATOM 313 CG MET A 22 3.212 0.245 -8.016 1.00 0.00 C ATOM 314 SD MET A 22 1.887 -0.910 -7.566 1.00 0.00 S ATOM 315 CE MET A 22 0.898 0.202 -6.533 1.00 0.00 C ATOM 0 H MET A 22 2.659 3.469 -8.243 1.00 0.00 H new ATOM 0 HA MET A 22 4.955 1.856 -9.028 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.928 1.620 -9.085 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.877 0.578 -10.127 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.111 -0.330 -8.241 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.439 0.866 -7.149 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.301 -0.385 -5.835 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.559 0.866 -5.977 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.237 0.795 -7.166 1.00 0.00 H new ATOM 325 N GLY A 23 4.021 4.008 -11.094 1.00 0.00 N ATOM 326 CA GLY A 23 4.125 4.568 -12.450 1.00 0.00 C ATOM 327 C GLY A 23 3.017 4.121 -13.413 1.00 0.00 C ATOM 328 O GLY A 23 3.197 4.202 -14.631 1.00 0.00 O ATOM 0 H GLY A 23 3.807 4.713 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.112 5.656 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.090 4.287 -12.872 1.00 0.00 H new ATOM 420 N MET A 34 -16.886 -3.918 -2.791 1.00 0.00 N ATOM 421 CA MET A 34 -16.023 -4.885 -2.090 1.00 0.00 C ATOM 422 C MET A 34 -14.983 -5.555 -3.015 1.00 0.00 C ATOM 423 O MET A 34 -13.960 -6.043 -2.537 1.00 0.00 O ATOM 424 CB MET A 34 -16.904 -5.949 -1.408 1.00 0.00 C ATOM 425 CG MET A 34 -16.364 -6.283 -0.011 1.00 0.00 C ATOM 426 SD MET A 34 -16.686 -4.972 1.204 1.00 0.00 S ATOM 427 CE MET A 34 -15.631 -5.551 2.558 1.00 0.00 C ATOM 0 HA MET A 34 -15.451 -4.332 -1.344 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.929 -5.585 -1.330 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.932 -6.852 -2.018 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.817 -7.212 0.336 1.00 0.00 H new ATOM 0 HG3 MET A 34 -15.290 -6.457 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.811 -4.944 3.445 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.862 -6.593 2.779 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.584 -5.465 2.266 1.00 0.00 H new ATOM 437 N GLN A 35 -15.202 -5.552 -4.338 1.00 0.00 N ATOM 438 CA GLN A 35 -14.203 -5.970 -5.332 1.00 0.00 C ATOM 439 C GLN A 35 -13.147 -4.886 -5.637 1.00 0.00 C ATOM 440 O GLN A 35 -12.020 -5.218 -6.022 1.00 0.00 O ATOM 441 CB GLN A 35 -14.908 -6.464 -6.606 1.00 0.00 C ATOM 442 CG GLN A 35 -15.707 -5.391 -7.363 1.00 0.00 C ATOM 443 CD GLN A 35 -16.178 -5.892 -8.727 1.00 0.00 C ATOM 444 OE1 GLN A 35 -16.827 -6.925 -8.862 1.00 0.00 O ATOM 445 NE2 GLN A 35 -15.877 -5.176 -9.793 1.00 0.00 N ATOM 0 H GLN A 35 -16.086 -5.256 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.639 -6.796 -4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.159 -6.881 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.583 -7.277 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.570 -5.093 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.089 -4.503 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.338 -4.316 -9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.183 -5.483 -10.716 1.00 0.00 H new ATOM 454 N ASP A 36 -13.470 -3.601 -5.447 1.00 0.00 N ATOM 455 CA ASP A 36 -12.551 -2.486 -5.716 1.00 0.00 C ATOM 456 C ASP A 36 -11.429 -2.424 -4.667 1.00 0.00 C ATOM 457 O ASP A 36 -10.254 -2.332 -5.021 1.00 0.00 O ATOM 458 CB ASP A 36 -13.298 -1.143 -5.762 1.00 0.00 C ATOM 459 CG ASP A 36 -14.485 -1.081 -6.737 1.00 0.00 C ATOM 460 OD1 ASP A 36 -14.482 -1.786 -7.774 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.415 -0.286 -6.474 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.382 -3.303 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.105 -2.668 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.661 -0.914 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.588 -0.361 -6.031 1.00 0.00 H new ATOM 466 N ILE A 37 -11.784 -2.565 -3.382 1.00 0.00 N ATOM 467 CA ILE A 37 -10.822 -2.736 -2.283 1.00 0.00 C ATOM 468 C ILE A 37 -9.966 -4.000 -2.467 1.00 0.00 C ATOM 469 O ILE A 37 -8.756 -3.929 -2.277 1.00 0.00 O ATOM 470 CB ILE A 37 -11.534 -2.698 -0.906 1.00 0.00 C ATOM 471 CG1 ILE A 37 -10.545 -2.906 0.262 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.726 -3.668 -0.821 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.163 -2.636 1.637 1.00 0.00 C ATOM 0 H ILE A 37 -12.756 -2.564 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.133 -1.892 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.947 -1.694 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.172 -3.930 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.686 -2.249 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.184 -3.596 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.462 -3.408 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.378 -4.688 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.414 -2.801 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.511 -1.604 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.004 -3.310 1.797 1.00 0.00 H new ATOM 485 N GLN A 38 -10.543 -5.123 -2.919 1.00 0.00 N ATOM 486 CA GLN A 38 -9.781 -6.360 -3.150 1.00 0.00 C ATOM 487 C GLN A 38 -8.662 -6.168 -4.187 1.00 0.00 C ATOM 488 O GLN A 38 -7.603 -6.778 -4.052 1.00 0.00 O ATOM 489 CB GLN A 38 -10.721 -7.493 -3.619 1.00 0.00 C ATOM 490 CG GLN A 38 -10.432 -8.867 -2.983 1.00 0.00 C ATOM 491 CD GLN A 38 -9.662 -9.842 -3.881 1.00 0.00 C ATOM 492 OE1 GLN A 38 -10.171 -10.885 -4.266 1.00 0.00 O ATOM 493 NE2 GLN A 38 -8.440 -9.559 -4.274 1.00 0.00 N ATOM 0 H GLN A 38 -11.537 -5.200 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.320 -6.629 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.750 -7.211 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.646 -7.585 -4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.864 -8.715 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.379 -9.327 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.993 -8.695 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.939 -10.203 -4.886 1.00 0.00 H new ATOM 502 N GLN A 39 -8.884 -5.328 -5.205 1.00 0.00 N ATOM 503 CA GLN A 39 -7.908 -5.018 -6.250 1.00 0.00 C ATOM 504 C GLN A 39 -6.901 -3.937 -5.816 1.00 0.00 C ATOM 505 O GLN A 39 -5.691 -4.169 -5.875 1.00 0.00 O ATOM 506 CB GLN A 39 -8.649 -4.609 -7.537 1.00 0.00 C ATOM 507 CG GLN A 39 -9.418 -5.775 -8.176 1.00 0.00 C ATOM 508 CD GLN A 39 -10.330 -5.347 -9.334 1.00 0.00 C ATOM 509 OE1 GLN A 39 -10.355 -4.208 -9.786 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.104 -6.265 -9.886 1.00 0.00 N ATOM 0 H GLN A 39 -9.769 -4.835 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.321 -5.916 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.345 -3.802 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.930 -4.216 -8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.704 -6.514 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.021 -6.264 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.099 -7.219 -9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.706 -6.019 -10.672 1.00 0.00 H new ATOM 519 N LEU A 40 -7.372 -2.773 -5.351 1.00 0.00 N ATOM 520 CA LEU A 40 -6.514 -1.631 -5.003 1.00 0.00 C ATOM 521 C LEU A 40 -5.617 -1.922 -3.792 1.00 0.00 C ATOM 522 O LEU A 40 -4.435 -1.577 -3.802 1.00 0.00 O ATOM 523 CB LEU A 40 -7.386 -0.390 -4.741 1.00 0.00 C ATOM 524 CG LEU A 40 -8.117 0.173 -5.973 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.120 1.238 -5.534 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.152 0.809 -6.978 1.00 0.00 C ATOM 0 H LEU A 40 -8.366 -2.595 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.852 -1.444 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.127 -0.641 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.756 0.395 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.620 -0.664 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.636 1.635 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.847 0.795 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.594 2.046 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.714 1.192 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.616 1.628 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.438 0.060 -7.321 1.00 0.00 H new ATOM 538 N LEU A 41 -6.146 -2.586 -2.760 1.00 0.00 N ATOM 539 CA LEU A 41 -5.383 -2.944 -1.568 1.00 0.00 C ATOM 540 C LEU A 41 -4.354 -4.059 -1.854 1.00 0.00 C ATOM 541 O LEU A 41 -3.239 -3.995 -1.334 1.00 0.00 O ATOM 542 CB LEU A 41 -6.376 -3.286 -0.448 1.00 0.00 C ATOM 543 CG LEU A 41 -5.800 -3.324 0.974 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.231 -1.961 1.373 1.00 0.00 C ATOM 545 CD2 LEU A 41 -6.917 -3.650 1.967 1.00 0.00 C ATOM 0 H LEU A 41 -7.119 -2.890 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.776 -2.100 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.185 -2.556 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.818 -4.258 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.013 -4.078 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.830 -2.016 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.436 -1.682 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.022 -1.212 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.509 -3.677 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.691 -2.884 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.348 -4.621 1.724 1.00 0.00 H new ATOM 557 N ALA A 42 -4.661 -5.003 -2.756 1.00 0.00 N ATOM 558 CA ALA A 42 -3.701 -5.995 -3.256 1.00 0.00 C ATOM 559 C ALA A 42 -2.565 -5.356 -4.077 1.00 0.00 C ATOM 560 O ALA A 42 -1.387 -5.681 -3.885 1.00 0.00 O ATOM 561 CB ALA A 42 -4.456 -7.029 -4.104 1.00 0.00 C ATOM 0 H ALA A 42 -5.592 -5.099 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.231 -6.476 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.754 -7.772 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.211 -7.521 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.940 -6.528 -4.942 1.00 0.00 H new ATOM 567 N LYS A 43 -2.894 -4.412 -4.966 1.00 0.00 N ATOM 568 CA LYS A 43 -1.963 -3.629 -5.786 1.00 0.00 C ATOM 569 C LYS A 43 -0.983 -2.834 -4.905 1.00 0.00 C ATOM 570 O LYS A 43 0.228 -2.883 -5.137 1.00 0.00 O ATOM 571 CB LYS A 43 -2.845 -2.744 -6.686 1.00 0.00 C ATOM 572 CG LYS A 43 -2.144 -1.824 -7.683 1.00 0.00 C ATOM 573 CD LYS A 43 -1.422 -2.565 -8.816 1.00 0.00 C ATOM 574 CE LYS A 43 -1.038 -1.553 -9.904 1.00 0.00 C ATOM 575 NZ LYS A 43 -0.568 -2.219 -11.143 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.867 -4.161 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.320 -4.257 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.515 -3.397 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.469 -2.126 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.880 -1.147 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.422 -1.208 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.531 -3.064 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.067 -3.339 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.898 -0.925 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.255 -0.895 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.319 -1.499 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.269 -2.799 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.324 -2.827 -11.518 1.00 0.00 H new ATOM 589 N SER A 44 -1.491 -2.173 -3.859 1.00 0.00 N ATOM 590 CA SER A 44 -0.684 -1.441 -2.868 1.00 0.00 C ATOM 591 C SER A 44 0.219 -2.368 -2.031 1.00 0.00 C ATOM 592 O SER A 44 1.416 -2.117 -1.893 1.00 0.00 O ATOM 593 CB SER A 44 -1.620 -0.626 -1.968 1.00 0.00 C ATOM 594 OG SER A 44 -0.881 0.294 -1.185 1.00 0.00 O ATOM 0 H SER A 44 -2.493 -2.129 -3.671 1.00 0.00 H new ATOM 0 HA SER A 44 -0.010 -0.774 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.346 -0.091 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.183 -1.296 -1.318 1.00 0.00 H new ATOM 0 HG SER A 44 -1.497 0.913 -0.739 1.00 0.00 H new ATOM 600 N LEU A 45 -0.316 -3.494 -1.540 1.00 0.00 N ATOM 601 CA LEU A 45 0.433 -4.509 -0.778 1.00 0.00 C ATOM 602 C LEU A 45 1.592 -5.114 -1.597 1.00 0.00 C ATOM 603 O LEU A 45 2.698 -5.295 -1.077 1.00 0.00 O ATOM 604 CB LEU A 45 -0.600 -5.549 -0.283 1.00 0.00 C ATOM 605 CG LEU A 45 -0.122 -6.804 0.470 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.350 -7.927 -0.456 1.00 0.00 C ATOM 607 CD2 LEU A 45 0.958 -6.513 1.513 1.00 0.00 C ATOM 0 H LEU A 45 -1.300 -3.732 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 45 0.935 -4.065 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.301 -5.027 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.164 -5.887 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.015 -7.148 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.672 -8.780 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.469 -8.230 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.184 -7.573 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.248 -7.441 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.828 -6.075 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.569 -5.815 2.255 1.00 0.00 H new ATOM 619 N THR A 46 1.380 -5.359 -2.891 1.00 0.00 N ATOM 620 CA THR A 46 2.415 -5.911 -3.782 1.00 0.00 C ATOM 621 C THR A 46 3.637 -4.986 -3.895 1.00 0.00 C ATOM 622 O THR A 46 4.770 -5.463 -3.878 1.00 0.00 O ATOM 623 CB THR A 46 1.830 -6.229 -5.170 1.00 0.00 C ATOM 624 OG1 THR A 46 0.780 -7.168 -5.059 1.00 0.00 O ATOM 625 CG2 THR A 46 2.854 -6.870 -6.111 1.00 0.00 C ATOM 0 H THR A 46 0.489 -5.182 -3.355 1.00 0.00 H new ATOM 0 HA THR A 46 2.763 -6.842 -3.334 1.00 0.00 H new ATOM 0 HB THR A 46 1.496 -5.271 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.001 -6.740 -4.647 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.386 -7.072 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.695 -6.190 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.211 -7.804 -5.678 1.00 0.00 H new ATOM 633 N GLU A 47 3.444 -3.662 -3.929 1.00 0.00 N ATOM 634 CA GLU A 47 4.552 -2.697 -3.994 1.00 0.00 C ATOM 635 C GLU A 47 5.425 -2.690 -2.725 1.00 0.00 C ATOM 636 O GLU A 47 6.643 -2.537 -2.827 1.00 0.00 O ATOM 637 CB GLU A 47 3.985 -1.304 -4.313 1.00 0.00 C ATOM 638 CG GLU A 47 5.015 -0.174 -4.498 1.00 0.00 C ATOM 639 CD GLU A 47 5.941 -0.307 -5.724 1.00 0.00 C ATOM 640 OE1 GLU A 47 5.883 -1.326 -6.456 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.720 0.647 -5.971 1.00 0.00 O1- ATOM 0 H GLU A 47 2.520 -3.229 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 47 5.225 -3.005 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.390 -1.377 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.305 -1.019 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.479 0.772 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.634 -0.121 -3.602 1.00 0.00 H new ATOM 648 N ILE A 48 4.841 -2.932 -1.541 1.00 0.00 N ATOM 649 CA ILE A 48 5.605 -3.133 -0.297 1.00 0.00 C ATOM 650 C ILE A 48 6.524 -4.357 -0.446 1.00 0.00 C ATOM 651 O ILE A 48 7.720 -4.267 -0.162 1.00 0.00 O ATOM 652 CB ILE A 48 4.689 -3.278 0.943 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.766 -2.048 1.125 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.535 -3.516 2.218 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.658 -2.261 2.168 1.00 0.00 C ATOM 0 H ILE A 48 3.830 -2.994 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 48 6.211 -2.242 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 48 4.049 -4.145 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.371 -1.190 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.309 -1.802 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.875 -3.616 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.120 -4.429 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.207 -2.672 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.050 -1.359 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.029 -3.098 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.107 -2.477 3.137 1.00 0.00 H new ATOM 667 N LYS A 49 5.993 -5.481 -0.947 1.00 0.00 N ATOM 668 CA LYS A 49 6.760 -6.722 -1.158 1.00 0.00 C ATOM 669 C LYS A 49 7.915 -6.533 -2.151 1.00 0.00 C ATOM 670 O LYS A 49 9.017 -7.018 -1.879 1.00 0.00 O ATOM 671 CB LYS A 49 5.823 -7.866 -1.601 1.00 0.00 C ATOM 672 CG LYS A 49 4.896 -8.332 -0.468 1.00 0.00 C ATOM 673 CD LYS A 49 3.958 -9.443 -0.964 1.00 0.00 C ATOM 674 CE LYS A 49 3.048 -9.972 0.156 1.00 0.00 C ATOM 675 NZ LYS A 49 3.778 -10.863 1.097 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.013 -5.558 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 49 7.212 -6.992 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.221 -7.533 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.421 -8.709 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.490 -8.697 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.310 -7.490 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.344 -9.062 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.550 -10.264 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.626 -9.131 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.212 -10.517 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.098 -11.466 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.442 -11.461 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.306 -10.286 1.783 1.00 0.00 H new ATOM 689 N ARG A 50 7.722 -5.786 -3.250 1.00 0.00 N ATOM 690 CA ARG A 50 8.799 -5.418 -4.195 1.00 0.00 C ATOM 691 C ARG A 50 9.928 -4.640 -3.510 1.00 0.00 C ATOM 692 O ARG A 50 11.093 -5.022 -3.620 1.00 0.00 O ATOM 693 CB ARG A 50 8.258 -4.591 -5.378 1.00 0.00 C ATOM 694 CG ARG A 50 7.302 -5.346 -6.310 1.00 0.00 C ATOM 695 CD ARG A 50 6.998 -4.470 -7.535 1.00 0.00 C ATOM 696 NE ARG A 50 5.814 -4.951 -8.274 1.00 0.00 N ATOM 697 CZ ARG A 50 4.627 -4.371 -8.340 1.00 0.00 C ATOM 698 NH1 ARG A 50 4.346 -3.240 -7.757 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 3.667 -4.944 -9.006 1.00 0.00 N ATOM 0 H ARG A 50 6.809 -5.416 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 50 9.204 -6.358 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.742 -3.715 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.102 -4.227 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.749 -6.289 -6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.379 -5.590 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.833 -3.441 -7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.862 -4.462 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 50 5.923 -5.825 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.060 -2.755 -7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.412 -2.840 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.832 -5.835 -9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.750 -4.502 -9.061 1.00 0.00 H new ATOM 713 N LEU A 51 9.585 -3.583 -2.768 1.00 0.00 N ATOM 714 CA LEU A 51 10.549 -2.735 -2.061 1.00 0.00 C ATOM 715 C LEU A 51 11.329 -3.519 -0.997 1.00 0.00 C ATOM 716 O LEU A 51 12.559 -3.431 -0.945 1.00 0.00 O ATOM 717 CB LEU A 51 9.816 -1.545 -1.405 1.00 0.00 C ATOM 718 CG LEU A 51 9.929 -0.191 -2.139 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.371 0.328 -2.149 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.401 -0.254 -3.573 1.00 0.00 C ATOM 0 H LEU A 51 8.617 -3.288 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 51 11.268 -2.368 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.760 -1.800 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.201 -1.420 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 51 9.303 0.503 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.411 1.282 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.716 0.463 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.013 -0.392 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.504 0.724 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.972 -0.990 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.350 -0.541 -3.561 1.00 0.00 H new ATOM 732 N LYS A 52 10.628 -4.299 -0.162 1.00 0.00 N ATOM 733 CA LYS A 52 11.241 -5.083 0.922 1.00 0.00 C ATOM 734 C LYS A 52 12.172 -6.172 0.394 1.00 0.00 C ATOM 735 O LYS A 52 13.267 -6.332 0.933 1.00 0.00 O ATOM 736 CB LYS A 52 10.153 -5.671 1.836 1.00 0.00 C ATOM 737 CG LYS A 52 9.461 -4.571 2.668 1.00 0.00 C ATOM 738 CD LYS A 52 8.414 -5.139 3.645 1.00 0.00 C ATOM 739 CE LYS A 52 9.098 -5.861 4.807 1.00 0.00 C ATOM 740 NZ LYS A 52 8.124 -6.540 5.695 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.615 -4.405 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 52 11.860 -4.405 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.411 -6.193 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.597 -6.409 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.214 -4.017 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.978 -3.861 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.790 -4.331 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.754 -5.829 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.801 -6.595 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.678 -5.144 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.623 -6.944 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.417 -5.852 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.648 -7.301 5.170 1.00 0.00 H new ATOM 754 N ALA A 53 11.799 -6.864 -0.687 1.00 0.00 N ATOM 755 CA ALA A 53 12.663 -7.843 -1.350 1.00 0.00 C ATOM 756 C ALA A 53 13.946 -7.206 -1.918 1.00 0.00 C ATOM 757 O ALA A 53 15.037 -7.735 -1.707 1.00 0.00 O ATOM 758 CB ALA A 53 11.851 -8.557 -2.440 1.00 0.00 C ATOM 0 H ALA A 53 10.885 -6.760 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 53 13.001 -8.571 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.482 -9.290 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.999 -9.063 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.495 -7.826 -3.166 1.00 0.00 H new ATOM 764 N ALA A 54 13.837 -6.052 -2.586 1.00 0.00 N ATOM 765 CA ALA A 54 14.985 -5.327 -3.131 1.00 0.00 C ATOM 766 C ALA A 54 15.934 -4.821 -2.028 1.00 0.00 C ATOM 767 O ALA A 54 17.152 -4.997 -2.121 1.00 0.00 O ATOM 768 CB ALA A 54 14.461 -4.175 -3.996 1.00 0.00 C ATOM 0 H ALA A 54 12.943 -5.594 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 54 15.579 -6.007 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.302 -3.621 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.853 -4.576 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.854 -3.508 -3.384 1.00 0.00 H new ATOM 774 N ASN A 55 15.384 -4.241 -0.954 1.00 0.00 N ATOM 775 CA ASN A 55 16.148 -3.730 0.190 1.00 0.00 C ATOM 776 C ASN A 55 16.858 -4.878 0.941 1.00 0.00 C ATOM 777 O ASN A 55 18.053 -4.790 1.228 1.00 0.00 O ATOM 778 CB ASN A 55 15.175 -2.935 1.090 1.00 0.00 C ATOM 779 CG ASN A 55 15.874 -1.995 2.062 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.890 -2.306 2.667 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.362 -0.796 2.236 1.00 0.00 N ATOM 0 H ASN A 55 14.377 -4.112 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 55 16.944 -3.065 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.501 -2.356 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.560 -3.636 1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.812 -0.136 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.515 -0.526 1.736 1.00 0.00 H new ATOM 1054 N PRO B 110 -8.070 -13.808 -1.421 1.00 0.00 N ATOM 1055 CA PRO B 110 -9.257 -13.051 -0.999 1.00 0.00 C ATOM 1056 C PRO B 110 -8.970 -11.921 0.006 1.00 0.00 C ATOM 1057 O PRO B 110 -7.907 -11.839 0.626 1.00 0.00 O ATOM 1058 CB PRO B 110 -10.231 -14.096 -0.437 1.00 0.00 C ATOM 1059 CG PRO B 110 -9.305 -15.208 0.047 1.00 0.00 C ATOM 1060 CD PRO B 110 -8.219 -15.204 -1.021 1.00 0.00 C ATOM 0 HA PRO B 110 -9.675 -12.514 -1.850 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -10.833 -13.690 0.376 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -10.924 -14.452 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -8.903 -15.001 1.039 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -9.817 -16.169 0.105 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -7.283 -15.602 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -8.501 -15.827 -1.870 1.00 0.00 H new ATOM 1068 N ILE B 111 -9.971 -11.051 0.178 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.911 -9.807 0.964 1.00 0.00 C ATOM 1070 C ILE B 111 -9.485 -10.003 2.429 1.00 0.00 C ATOM 1071 O ILE B 111 -8.707 -9.211 2.954 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.252 -9.050 0.833 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -11.119 -7.632 1.416 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.439 -9.805 1.466 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -12.310 -6.747 1.057 1.00 0.00 C ATOM 0 H ILE B 111 -10.888 -11.198 -0.245 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.112 -9.197 0.542 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.477 -8.980 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -11.028 -7.694 2.500 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.203 -7.173 1.045 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.351 -9.221 1.340 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.558 -10.772 0.977 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.249 -9.957 2.529 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -12.171 -5.757 1.490 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.386 -6.661 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -13.225 -7.190 1.451 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.933 -11.079 3.084 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.578 -11.362 4.483 1.00 0.00 C ATOM 1089 C ASP B 112 -8.090 -11.715 4.654 1.00 0.00 C ATOM 1090 O ASP B 112 -7.498 -11.432 5.697 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.449 -12.504 5.032 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.954 -12.207 5.089 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.368 -11.025 5.179 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.743 -13.188 5.079 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.548 -11.776 2.665 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.764 -10.449 5.049 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.292 -13.388 4.414 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -10.105 -12.752 6.036 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.465 -12.294 3.623 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.029 -12.595 3.607 1.00 0.00 C ATOM 1101 C GLU B 113 -5.200 -11.345 3.301 1.00 0.00 C ATOM 1102 O GLU B 113 -4.345 -10.973 4.105 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.715 -13.718 2.607 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.409 -15.054 2.925 1.00 0.00 C ATOM 1105 CD GLU B 113 -6.054 -15.630 4.308 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.891 -15.509 4.763 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.934 -16.261 4.948 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.947 -12.570 2.767 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.753 -12.940 4.603 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.012 -13.395 1.609 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.637 -13.877 2.583 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.488 -14.914 2.867 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.141 -15.782 2.160 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.455 -10.637 2.193 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.646 -9.465 1.802 1.00 0.00 C ATOM 1116 C LEU B 114 -4.693 -8.329 2.841 1.00 0.00 C ATOM 1117 O LEU B 114 -3.695 -7.642 3.064 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.012 -8.992 0.384 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.400 -8.348 0.228 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.330 -6.826 0.288 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.012 -8.714 -1.116 1.00 0.00 C ATOM 0 H LEU B 114 -6.215 -10.852 1.548 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.604 -9.786 1.779 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.261 -8.274 0.056 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.951 -9.846 -0.290 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.006 -8.724 1.052 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.331 -6.411 0.174 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -5.917 -6.518 1.249 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.691 -6.459 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -7.994 -8.249 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.366 -8.359 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.116 -9.797 -1.186 1.00 0.00 H new ATOM 1133 N SER B 115 -5.832 -8.173 3.525 1.00 0.00 N ATOM 1134 CA SER B 115 -6.037 -7.200 4.603 1.00 0.00 C ATOM 1135 C SER B 115 -5.229 -7.524 5.871 1.00 0.00 C ATOM 1136 O SER B 115 -4.862 -6.617 6.628 1.00 0.00 O ATOM 1137 CB SER B 115 -7.538 -7.131 4.911 1.00 0.00 C ATOM 1138 OG SER B 115 -7.820 -6.137 5.868 1.00 0.00 O ATOM 0 H SER B 115 -6.661 -8.737 3.338 1.00 0.00 H new ATOM 0 HA SER B 115 -5.671 -6.231 4.264 1.00 0.00 H new ATOM 0 HB2 SER B 115 -8.090 -6.923 3.994 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.881 -8.099 5.277 1.00 0.00 H new ATOM 0 HG SER B 115 -8.784 -6.115 6.043 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.910 -8.802 6.115 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.969 -9.238 7.155 1.00 0.00 C ATOM 1146 C ALA B 116 -2.505 -9.262 6.677 1.00 0.00 C ATOM 1147 O ALA B 116 -1.597 -9.076 7.487 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.395 -10.621 7.656 1.00 0.00 C ATOM 0 H ALA B 116 -5.307 -9.577 5.584 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.006 -8.509 7.965 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.704 -10.957 8.429 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.402 -10.564 8.069 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.383 -11.328 6.827 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.248 -9.511 5.389 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.892 -9.551 4.822 1.00 0.00 C ATOM 1156 C LEU B 117 -0.205 -8.182 4.905 1.00 0.00 C ATOM 1157 O LEU B 117 0.965 -8.137 5.273 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.922 -10.055 3.365 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.484 -11.526 3.213 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.429 -12.525 3.878 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.400 -11.872 1.727 1.00 0.00 C ATOM 0 H LEU B 117 -2.980 -9.692 4.703 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.308 -10.252 5.419 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.932 -9.942 2.971 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.271 -9.426 2.758 1.00 0.00 H new ATOM 0 HG LEU B 117 0.481 -11.609 3.712 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.053 -13.537 3.727 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.488 -12.315 4.946 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.421 -12.437 3.436 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.091 -12.911 1.612 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.377 -11.731 1.265 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.328 -11.221 1.242 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.907 -7.074 4.637 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.336 -5.725 4.796 1.00 0.00 C ATOM 1175 C LEU B 118 0.114 -5.458 6.241 1.00 0.00 C ATOM 1176 O LEU B 118 1.202 -4.922 6.455 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.311 -4.667 4.238 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.609 -4.446 5.045 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.506 -3.284 6.041 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.772 -4.119 4.114 1.00 0.00 C ATOM 0 H LEU B 118 -1.873 -7.082 4.309 1.00 0.00 H new ATOM 0 HA LEU B 118 0.577 -5.654 4.205 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.783 -3.716 4.170 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.583 -4.953 3.222 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.772 -5.377 5.588 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.449 -3.180 6.577 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.705 -3.484 6.752 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.291 -2.361 5.502 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.677 -3.967 4.702 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.546 -3.211 3.554 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.925 -4.945 3.419 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.660 -5.919 7.227 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.337 -5.832 8.656 1.00 0.00 C ATOM 1194 C ARG B 119 0.835 -6.730 9.042 1.00 0.00 C ATOM 1195 O ARG B 119 1.717 -6.291 9.769 1.00 0.00 O ATOM 1196 CB ARG B 119 -1.605 -6.139 9.472 1.00 0.00 C ATOM 1197 CG ARG B 119 -2.281 -4.824 9.875 1.00 0.00 C ATOM 1198 CD ARG B 119 -3.687 -5.022 10.435 1.00 0.00 C ATOM 1199 NE ARG B 119 -4.665 -5.263 9.357 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.906 -4.829 9.311 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.493 -4.212 10.298 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -6.623 -5.023 8.257 1.00 0.00 N ATOM 0 H ARG B 119 -1.554 -6.376 7.050 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.007 -4.819 8.884 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.291 -6.748 8.883 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.348 -6.716 10.360 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -1.667 -4.320 10.621 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -2.331 -4.167 9.007 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -3.690 -5.865 11.126 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -3.981 -4.141 11.005 1.00 0.00 H new ATOM 0 HE ARG B 119 -4.346 -5.823 8.567 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.986 -4.042 11.167 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.459 -3.899 10.201 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -6.228 -5.515 7.455 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -7.585 -4.685 8.225 1.00 0.00 H new ATOM 1216 N GLN B 120 0.911 -7.941 8.498 1.00 0.00 N ATOM 1217 CA GLN B 120 2.057 -8.842 8.671 1.00 0.00 C ATOM 1218 C GLN B 120 3.345 -8.329 7.998 1.00 0.00 C ATOM 1219 O GLN B 120 4.434 -8.526 8.539 1.00 0.00 O ATOM 1220 CB GLN B 120 1.679 -10.253 8.198 1.00 0.00 C ATOM 1221 CG GLN B 120 0.867 -10.988 9.279 1.00 0.00 C ATOM 1222 CD GLN B 120 0.106 -12.183 8.712 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.467 -13.336 8.898 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -0.953 -11.945 7.971 1.00 0.00 N ATOM 0 H GLN B 120 0.171 -8.334 7.916 1.00 0.00 H new ATOM 0 HA GLN B 120 2.293 -8.876 9.735 1.00 0.00 H new ATOM 0 HB2 GLN B 120 1.097 -10.190 7.278 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.582 -10.819 7.966 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.538 -11.327 10.068 1.00 0.00 H new ATOM 0 HG3 GLN B 120 0.162 -10.294 9.737 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -1.259 -10.985 7.812 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -1.469 -12.720 7.555 1.00 0.00 H new ATOM 1233 N GLU B 121 3.257 -7.598 6.877 1.00 0.00 N ATOM 1234 CA GLU B 121 4.403 -6.874 6.289 1.00 0.00 C ATOM 1235 C GLU B 121 4.836 -5.649 7.127 1.00 0.00 C ATOM 1236 O GLU B 121 6.023 -5.324 7.168 1.00 0.00 O ATOM 1237 CB GLU B 121 4.101 -6.444 4.836 1.00 0.00 C ATOM 1238 CG GLU B 121 4.028 -7.593 3.808 1.00 0.00 C ATOM 1239 CD GLU B 121 5.311 -8.427 3.662 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.247 -9.500 3.009 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.383 -8.025 4.170 1.00 0.00 O1- ATOM 0 H GLU B 121 2.391 -7.490 6.349 1.00 0.00 H new ATOM 0 HA GLU B 121 5.237 -7.575 6.290 1.00 0.00 H new ATOM 0 HB2 GLU B 121 3.153 -5.907 4.824 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.870 -5.741 4.516 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.212 -8.259 4.089 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.775 -7.172 2.835 1.00 0.00 H new ATOM 1248 N MET B 122 3.903 -5.001 7.836 1.00 0.00 N ATOM 1249 CA MET B 122 4.173 -3.958 8.842 1.00 0.00 C ATOM 1250 C MET B 122 4.650 -4.527 10.199 1.00 0.00 C ATOM 1251 O MET B 122 5.018 -3.769 11.101 1.00 0.00 O ATOM 1252 CB MET B 122 2.921 -3.090 9.030 1.00 0.00 C ATOM 1253 CG MET B 122 2.560 -2.295 7.768 1.00 0.00 C ATOM 1254 SD MET B 122 0.838 -1.728 7.726 1.00 0.00 S ATOM 1255 CE MET B 122 0.682 -1.448 5.941 1.00 0.00 C ATOM 0 H MET B 122 2.907 -5.192 7.724 1.00 0.00 H new ATOM 0 HA MET B 122 4.995 -3.351 8.464 1.00 0.00 H new ATOM 0 HB2 MET B 122 2.080 -3.726 9.307 1.00 0.00 H new ATOM 0 HB3 MET B 122 3.083 -2.398 9.857 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.219 -1.430 7.694 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.750 -2.916 6.892 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.367 -1.299 5.686 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.252 -0.563 5.660 1.00 0.00 H new ATOM 0 HE3 MET B 122 1.067 -2.314 5.402 1.00 0.00 H new ATOM 1349 N SER B 133 -17.315 0.210 4.695 1.00 0.00 N ATOM 1350 CA SER B 133 -17.621 1.645 4.833 1.00 0.00 C ATOM 1351 C SER B 133 -16.544 2.513 4.175 1.00 0.00 C ATOM 1352 O SER B 133 -15.357 2.170 4.210 1.00 0.00 O ATOM 1353 CB SER B 133 -17.782 2.039 6.309 1.00 0.00 C ATOM 1354 OG SER B 133 -18.901 1.378 6.885 1.00 0.00 O ATOM 0 HA SER B 133 -18.566 1.822 4.320 1.00 0.00 H new ATOM 0 HB2 SER B 133 -16.878 1.782 6.860 1.00 0.00 H new ATOM 0 HB3 SER B 133 -17.909 3.118 6.391 1.00 0.00 H new ATOM 0 HG SER B 133 -19.075 0.545 6.399 1.00 0.00 H new ATOM 1360 N MET B 134 -16.925 3.665 3.600 1.00 0.00 N ATOM 1361 CA MET B 134 -16.034 4.527 2.799 1.00 0.00 C ATOM 1362 C MET B 134 -14.788 4.995 3.579 1.00 0.00 C ATOM 1363 O MET B 134 -13.673 4.965 3.055 1.00 0.00 O ATOM 1364 CB MET B 134 -16.835 5.725 2.255 1.00 0.00 C ATOM 1365 CG MET B 134 -16.057 6.573 1.234 1.00 0.00 C ATOM 1366 SD MET B 134 -16.493 6.310 -0.510 1.00 0.00 S ATOM 1367 CE MET B 134 -15.934 4.604 -0.760 1.00 0.00 C ATOM 0 H MET B 134 -17.874 4.031 3.678 1.00 0.00 H new ATOM 0 HA MET B 134 -15.656 3.932 1.967 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.749 5.358 1.789 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.135 6.360 3.089 1.00 0.00 H new ATOM 0 HG2 MET B 134 -16.211 7.625 1.472 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.993 6.370 1.357 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.987 4.355 -1.820 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.905 4.504 -0.415 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.573 3.925 -0.195 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.949 5.349 4.855 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.836 5.742 5.734 1.00 0.00 C ATOM 1379 C GLN B 135 -12.883 4.573 6.062 1.00 0.00 C ATOM 1380 O GLN B 135 -11.698 4.787 6.322 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.438 6.391 6.993 1.00 0.00 C ATOM 1382 CG GLN B 135 -13.387 7.090 7.874 1.00 0.00 C ATOM 1383 CD GLN B 135 -13.985 7.929 9.006 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.182 7.943 9.276 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -13.164 8.662 9.739 1.00 0.00 N ATOM 0 H GLN B 135 -15.859 5.373 5.315 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.203 6.462 5.216 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.194 7.117 6.694 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -14.946 5.627 7.581 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -12.728 6.336 8.303 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -12.770 7.732 7.246 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -12.165 8.667 9.535 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -13.530 9.222 10.509 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.359 3.326 6.034 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.547 2.130 6.313 1.00 0.00 C ATOM 1396 C ASP B 136 -11.713 1.695 5.095 1.00 0.00 C ATOM 1397 O ASP B 136 -10.522 1.426 5.252 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.429 0.987 6.845 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.126 1.289 8.185 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -13.758 2.259 8.896 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -15.040 0.515 8.563 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.332 3.111 5.814 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.832 2.392 7.093 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.189 0.754 6.099 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.814 0.095 6.963 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.279 1.702 3.879 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.502 1.501 2.638 1.00 0.00 C ATOM 1408 C ILE B 137 -10.441 2.604 2.460 1.00 0.00 C ATOM 1409 O ILE B 137 -9.303 2.284 2.105 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.412 1.312 1.390 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.579 1.143 0.099 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.436 2.443 1.217 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.407 0.898 -1.174 1.00 0.00 C ATOM 0 H ILE B 137 -13.277 1.845 3.724 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.959 0.561 2.738 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.972 0.394 1.569 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.972 2.037 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.890 0.309 0.234 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -14.040 2.254 0.330 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -14.082 2.486 2.094 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.913 3.393 1.104 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.738 0.792 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.993 -0.013 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -13.077 1.742 -1.340 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.753 3.868 2.796 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.755 4.951 2.822 1.00 0.00 C ATOM 1427 C GLN B 138 -8.602 4.645 3.789 1.00 0.00 C ATOM 1428 O GLN B 138 -7.444 4.712 3.385 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.400 6.299 3.199 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.173 6.963 2.051 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.774 8.297 2.495 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.938 8.402 2.862 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.010 9.372 2.488 1.00 0.00 N ATOM 0 H GLN B 138 -11.694 4.165 3.055 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.348 5.022 1.813 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.078 6.144 4.038 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.621 6.980 3.541 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.506 7.124 1.204 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.966 6.298 1.710 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.038 9.305 2.186 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.391 10.270 2.785 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.895 4.281 5.048 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.869 3.999 6.067 1.00 0.00 C ATOM 1444 C GLN B 139 -6.971 2.809 5.690 1.00 0.00 C ATOM 1445 O GLN B 139 -5.749 2.943 5.744 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.528 3.754 7.432 1.00 0.00 C ATOM 1447 CG GLN B 139 -8.945 5.060 8.123 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.817 4.782 9.349 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.393 4.885 10.495 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.056 4.385 9.149 1.00 0.00 N ATOM 0 H GLN B 139 -9.850 4.174 5.389 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.227 4.878 6.124 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.405 3.120 7.301 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.835 3.211 8.075 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.057 5.615 8.424 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.491 5.689 7.420 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.416 4.297 8.199 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.656 4.166 9.944 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.543 1.671 5.271 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.768 0.481 4.888 1.00 0.00 C ATOM 1461 C LEU B 140 -5.843 0.776 3.696 1.00 0.00 C ATOM 1462 O LEU B 140 -4.662 0.422 3.721 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.724 -0.698 4.577 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.978 -1.647 5.766 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -8.650 -0.965 6.959 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.873 -2.805 5.320 1.00 0.00 C ATOM 0 H LEU B 140 -8.552 1.549 5.188 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.132 0.200 5.727 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.679 -0.295 4.240 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -7.311 -1.275 3.750 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.997 -1.994 6.089 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -8.798 -1.692 7.758 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -8.017 -0.154 7.319 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -9.615 -0.562 6.652 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -9.050 -3.473 6.163 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.825 -2.412 4.962 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -8.383 -3.356 4.517 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.353 1.467 2.671 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.594 1.773 1.458 1.00 0.00 C ATOM 1480 C LEU B 141 -4.517 2.853 1.688 1.00 0.00 C ATOM 1481 O LEU B 141 -3.417 2.750 1.134 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.612 2.102 0.348 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.057 2.090 -1.089 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.467 0.726 -1.448 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.186 2.372 -2.088 1.00 0.00 C ATOM 0 H LEU B 141 -7.306 1.830 2.661 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.006 0.911 1.142 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.432 1.386 0.408 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.034 3.087 0.547 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.282 2.854 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.084 0.752 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.654 0.489 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.241 -0.037 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.786 2.362 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.955 1.605 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.621 3.350 -1.879 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.775 3.838 2.556 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.787 4.830 2.995 1.00 0.00 C ATOM 1499 C ALA B 142 -2.657 4.229 3.860 1.00 0.00 C ATOM 1500 O ALA B 142 -1.507 4.667 3.762 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.515 5.946 3.753 1.00 0.00 C ATOM 0 H ALA B 142 -5.693 3.970 2.981 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.297 5.227 2.106 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.792 6.691 4.086 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.245 6.417 3.095 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.026 5.524 4.619 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.953 3.208 4.680 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.990 2.525 5.551 1.00 0.00 C ATOM 1509 C LYS B 143 -0.898 1.811 4.742 1.00 0.00 C ATOM 1510 O LYS B 143 0.290 2.020 5.005 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.804 1.582 6.456 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.993 0.855 7.521 1.00 0.00 C ATOM 1513 CD LYS B 143 -1.437 1.773 8.611 1.00 0.00 C ATOM 1514 CE LYS B 143 -0.807 0.928 9.723 1.00 0.00 C ATOM 1515 NZ LYS B 143 -0.428 1.774 10.887 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.896 2.826 4.756 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.440 3.235 6.169 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.586 2.160 6.948 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.301 0.841 5.830 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -2.621 0.095 7.986 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.165 0.335 7.041 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -0.693 2.448 8.188 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.235 2.394 9.020 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.510 0.158 10.042 1.00 0.00 H new ATOM 0 HE3 LYS B 143 0.075 0.415 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -0.004 1.178 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 0.260 2.493 10.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -1.275 2.244 11.265 1.00 0.00 H new ATOM 1529 N SER B 144 -1.272 1.067 3.700 1.00 0.00 N ATOM 1530 CA SER B 144 -0.326 0.466 2.750 1.00 0.00 C ATOM 1531 C SER B 144 0.442 1.512 1.931 1.00 0.00 C ATOM 1532 O SER B 144 1.659 1.394 1.791 1.00 0.00 O ATOM 1533 CB SER B 144 -1.044 -0.509 1.815 1.00 0.00 C ATOM 1534 OG SER B 144 -1.601 -1.572 2.569 1.00 0.00 O ATOM 0 H SER B 144 -2.248 0.861 3.487 1.00 0.00 H new ATOM 0 HA SER B 144 0.407 -0.077 3.346 1.00 0.00 H new ATOM 0 HB2 SER B 144 -1.829 0.010 1.266 1.00 0.00 H new ATOM 0 HB3 SER B 144 -0.345 -0.901 1.077 1.00 0.00 H new ATOM 0 HG SER B 144 -2.062 -2.194 1.967 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.213 2.577 1.450 1.00 0.00 N ATOM 1541 CA LEU B 145 0.435 3.670 0.712 1.00 0.00 C ATOM 1542 C LEU B 145 1.502 4.398 1.559 1.00 0.00 C ATOM 1543 O LEU B 145 2.603 4.676 1.074 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.677 4.590 0.162 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.289 5.842 -0.651 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.024 7.054 0.227 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.844 5.617 -1.654 1.00 0.00 C ATOM 0 H LEU B 145 -1.218 2.706 1.563 1.00 0.00 H new ATOM 0 HA LEU B 145 1.005 3.278 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.326 3.980 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.276 4.923 1.010 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.188 6.057 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.290 7.902 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.852 7.307 0.824 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.858 6.819 0.888 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.053 6.547 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.739 5.292 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.548 4.851 -2.371 1.00 0.00 H new ATOM 1559 N THR B 146 1.234 4.624 2.847 1.00 0.00 N ATOM 1560 CA THR B 146 2.218 5.173 3.799 1.00 0.00 C ATOM 1561 C THR B 146 3.439 4.257 3.945 1.00 0.00 C ATOM 1562 O THR B 146 4.576 4.726 3.935 1.00 0.00 O ATOM 1563 CB THR B 146 1.556 5.431 5.167 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.534 6.402 5.025 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.531 5.977 6.215 1.00 0.00 C ATOM 0 H THR B 146 0.325 4.432 3.267 1.00 0.00 H new ATOM 0 HA THR B 146 2.573 6.123 3.400 1.00 0.00 H new ATOM 0 HB THR B 146 1.176 4.466 5.502 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.257 5.988 4.620 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.003 6.137 7.155 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.338 5.261 6.370 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.947 6.922 5.867 1.00 0.00 H new ATOM 1573 N GLU B 147 3.232 2.941 4.026 1.00 0.00 N ATOM 1574 CA GLU B 147 4.321 1.964 4.155 1.00 0.00 C ATOM 1575 C GLU B 147 5.181 1.829 2.883 1.00 0.00 C ATOM 1576 O GLU B 147 6.396 1.675 2.993 1.00 0.00 O ATOM 1577 CB GLU B 147 3.731 0.622 4.616 1.00 0.00 C ATOM 1578 CG GLU B 147 4.767 -0.334 5.233 1.00 0.00 C ATOM 1579 CD GLU B 147 5.370 0.162 6.570 1.00 0.00 C ATOM 1580 OE1 GLU B 147 4.839 1.114 7.195 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.381 -0.425 7.023 1.00 0.00 O1- ATOM 0 H GLU B 147 2.303 2.520 4.004 1.00 0.00 H new ATOM 0 HA GLU B 147 5.019 2.328 4.909 1.00 0.00 H new ATOM 0 HB2 GLU B 147 2.946 0.813 5.348 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.260 0.131 3.764 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.298 -1.304 5.397 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.575 -0.487 4.518 1.00 0.00 H new ATOM 1588 N ILE B 148 4.609 1.987 1.683 1.00 0.00 N ATOM 1589 CA ILE B 148 5.382 2.114 0.424 1.00 0.00 C ATOM 1590 C ILE B 148 6.357 3.295 0.526 1.00 0.00 C ATOM 1591 O ILE B 148 7.560 3.137 0.287 1.00 0.00 O ATOM 1592 CB ILE B 148 4.462 2.293 -0.811 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.612 1.032 -1.079 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.274 2.656 -2.075 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.452 1.287 -2.057 1.00 0.00 C ATOM 0 H ILE B 148 3.599 2.031 1.549 1.00 0.00 H new ATOM 0 HA ILE B 148 5.938 1.187 0.286 1.00 0.00 H new ATOM 0 HB ILE B 148 3.789 3.119 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.253 0.247 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.210 0.664 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.597 2.774 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.811 3.590 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.988 1.861 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.892 0.364 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.791 2.051 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.850 1.627 -3.013 1.00 0.00 H new ATOM 1607 N LYS B 149 5.857 4.479 0.905 1.00 0.00 N ATOM 1608 CA LYS B 149 6.642 5.721 1.000 1.00 0.00 C ATOM 1609 C LYS B 149 7.774 5.625 2.032 1.00 0.00 C ATOM 1610 O LYS B 149 8.889 6.069 1.751 1.00 0.00 O ATOM 1611 CB LYS B 149 5.704 6.896 1.313 1.00 0.00 C ATOM 1612 CG LYS B 149 4.802 7.242 0.120 1.00 0.00 C ATOM 1613 CD LYS B 149 3.773 8.311 0.528 1.00 0.00 C ATOM 1614 CE LYS B 149 2.946 8.822 -0.656 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.773 9.595 -1.616 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.877 4.604 1.159 1.00 0.00 H new ATOM 0 HA LYS B 149 7.124 5.888 0.037 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.086 6.647 2.175 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.295 7.770 1.586 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.407 7.607 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.288 6.346 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.103 7.895 1.281 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.292 9.150 0.992 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.487 7.977 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.135 9.450 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.217 10.389 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.616 9.962 -1.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.066 8.976 -2.399 1.00 0.00 H new ATOM 1629 N ARG B 150 7.516 4.993 3.184 1.00 0.00 N ATOM 1630 CA ARG B 150 8.527 4.696 4.222 1.00 0.00 C ATOM 1631 C ARG B 150 9.671 3.832 3.674 1.00 0.00 C ATOM 1632 O ARG B 150 10.843 4.174 3.847 1.00 0.00 O ATOM 1633 CB ARG B 150 7.871 3.982 5.416 1.00 0.00 C ATOM 1634 CG ARG B 150 7.029 4.912 6.297 1.00 0.00 C ATOM 1635 CD ARG B 150 6.209 4.055 7.265 1.00 0.00 C ATOM 1636 NE ARG B 150 5.472 4.858 8.251 1.00 0.00 N ATOM 1637 CZ ARG B 150 4.514 4.406 9.042 1.00 0.00 C ATOM 1638 NH1 ARG B 150 4.092 3.170 8.994 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 3.953 5.199 9.908 1.00 0.00 N ATOM 0 H ARG B 150 6.582 4.665 3.431 1.00 0.00 H new ATOM 0 HA ARG B 150 8.947 5.648 4.547 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.239 3.176 5.044 1.00 0.00 H new ATOM 0 HB3 ARG B 150 8.648 3.522 6.026 1.00 0.00 H new ATOM 0 HG2 ARG B 150 7.673 5.596 6.850 1.00 0.00 H new ATOM 0 HG3 ARG B 150 6.370 5.523 5.681 1.00 0.00 H new ATOM 0 HD2 ARG B 150 5.504 3.448 6.698 1.00 0.00 H new ATOM 0 HD3 ARG B 150 6.874 3.367 7.787 1.00 0.00 H new ATOM 0 HE ARG B 150 5.720 5.844 8.332 1.00 0.00 H new ATOM 0 HH11 ARG B 150 4.504 2.516 8.329 1.00 0.00 H new ATOM 0 HH12 ARG B 150 3.350 2.860 9.622 1.00 0.00 H new ATOM 0 HH21 ARG B 150 4.252 6.172 9.978 1.00 0.00 H new ATOM 0 HH22 ARG B 150 3.214 4.848 10.517 1.00 0.00 H new ATOM 1653 N LEU B 151 9.339 2.735 2.988 1.00 0.00 N ATOM 1654 CA LEU B 151 10.335 1.817 2.416 1.00 0.00 C ATOM 1655 C LEU B 151 11.120 2.453 1.260 1.00 0.00 C ATOM 1656 O LEU B 151 12.341 2.284 1.190 1.00 0.00 O ATOM 1657 CB LEU B 151 9.646 0.511 1.971 1.00 0.00 C ATOM 1658 CG LEU B 151 9.666 -0.643 2.998 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.084 -1.187 3.198 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.084 -0.259 4.361 1.00 0.00 C ATOM 0 H LEU B 151 8.374 2.456 2.812 1.00 0.00 H new ATOM 0 HA LEU B 151 11.065 1.589 3.193 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.608 0.735 1.725 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.123 0.165 1.054 1.00 0.00 H new ATOM 0 HG LEU B 151 9.026 -1.415 2.570 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.063 -1.998 3.926 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.467 -1.562 2.249 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.732 -0.389 3.561 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.130 -1.117 5.031 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.661 0.564 4.784 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.046 0.051 4.239 1.00 0.00 H new ATOM 1672 N LYS B 152 10.464 3.239 0.396 1.00 0.00 N ATOM 1673 CA LYS B 152 11.136 4.036 -0.646 1.00 0.00 C ATOM 1674 C LYS B 152 12.124 5.047 -0.058 1.00 0.00 C ATOM 1675 O LYS B 152 13.255 5.113 -0.533 1.00 0.00 O ATOM 1676 CB LYS B 152 10.108 4.749 -1.541 1.00 0.00 C ATOM 1677 CG LYS B 152 9.452 3.801 -2.560 1.00 0.00 C ATOM 1678 CD LYS B 152 8.633 4.615 -3.563 1.00 0.00 C ATOM 1679 CE LYS B 152 8.050 3.712 -4.655 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.616 4.535 -5.803 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.449 3.342 0.398 1.00 0.00 H new ATOM 0 HA LYS B 152 11.709 3.338 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.335 5.195 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.598 5.565 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.217 3.225 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.810 3.086 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.826 5.132 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.263 5.380 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS B 152 8.797 2.986 -4.977 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.206 3.147 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 6.987 3.975 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.107 5.373 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.449 4.837 -6.348 1.00 0.00 H new ATOM 1694 N ALA B 153 11.744 5.782 0.989 1.00 0.00 N ATOM 1695 CA ALA B 153 12.627 6.732 1.663 1.00 0.00 C ATOM 1696 C ALA B 153 13.865 6.043 2.285 1.00 0.00 C ATOM 1697 O ALA B 153 14.984 6.536 2.129 1.00 0.00 O ATOM 1698 CB ALA B 153 11.807 7.488 2.716 1.00 0.00 C ATOM 0 H ALA B 153 10.809 5.734 1.394 1.00 0.00 H new ATOM 0 HA ALA B 153 13.022 7.435 0.930 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.448 8.203 3.232 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.990 8.019 2.228 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.400 6.780 3.438 1.00 0.00 H new ATOM 1704 N ALA B 154 13.686 4.881 2.926 1.00 0.00 N ATOM 1705 CA ALA B 154 14.784 4.098 3.502 1.00 0.00 C ATOM 1706 C ALA B 154 15.766 3.568 2.435 1.00 0.00 C ATOM 1707 O ALA B 154 16.984 3.705 2.577 1.00 0.00 O ATOM 1708 CB ALA B 154 14.186 2.949 4.328 1.00 0.00 C ATOM 0 H ALA B 154 12.769 4.456 3.060 1.00 0.00 H new ATOM 0 HA ALA B 154 15.374 4.753 4.144 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.991 2.357 4.763 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.565 3.358 5.125 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.577 2.315 3.683 1.00 0.00 H new ATOM 1714 N ASN B 155 15.237 3.016 1.335 1.00 0.00 N ATOM 1715 CA ASN B 155 16.037 2.513 0.213 1.00 0.00 C ATOM 1716 C ASN B 155 16.789 3.656 -0.512 1.00 0.00 C ATOM 1717 O ASN B 155 17.984 3.553 -0.791 1.00 0.00 O ATOM 1718 CB ASN B 155 15.094 1.712 -0.709 1.00 0.00 C ATOM 1719 CG ASN B 155 15.817 0.751 -1.643 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.888 1.017 -2.164 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.260 -0.417 -1.873 1.00 0.00 N ATOM 0 H ASN B 155 14.232 2.906 1.199 1.00 0.00 H new ATOM 0 HA ASN B 155 16.827 1.851 0.567 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.393 1.148 -0.094 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.505 2.409 -1.305 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.723 -1.092 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.365 -0.649 -1.442 1.00 0.00 H new ATOM 1728 N GLN B 156 16.129 4.796 -0.736 1.00 0.00 N ATOM 1729 CA GLN B 156 16.732 5.985 -1.351 1.00 0.00 C ATOM 1730 C GLN B 156 17.847 6.592 -0.483 1.00 0.00 C ATOM 1731 O GLN B 156 18.888 6.978 -1.019 1.00 0.00 O ATOM 1732 CB GLN B 156 15.618 6.995 -1.680 1.00 0.00 C ATOM 1733 CG GLN B 156 16.105 8.238 -2.453 1.00 0.00 C ATOM 1734 CD GLN B 156 16.644 9.395 -1.603 1.00 0.00 C ATOM 1735 OE1 GLN B 156 16.551 9.430 -0.381 1.00 0.00 O ATOM 1736 NE2 GLN B 156 17.211 10.410 -2.221 1.00 0.00 N ATOM 0 H GLN B 156 15.147 4.922 -0.492 1.00 0.00 H new ATOM 0 HA GLN B 156 17.225 5.695 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN B 156 14.849 6.493 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.149 7.319 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.888 7.927 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN B 156 15.278 8.612 -3.056 1.00 0.00 H new ATOM 0 HE21 GLN B 156 17.300 10.403 -3.237 1.00 0.00 H new ATOM 0 HE22 GLN B 156 17.562 11.203 -1.684 1.00 0.00 H new