USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 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 Set 1.1: A 35 GLN : amide:sc= 0.781 K(o=1.1,f=-0.31) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.365 K(o=1.1,f=-0.31) USER MOD Single : A 15 SER OG : rot 89:sc= 0.679 USER MOD Single : A 20 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 22 MET CE :methyl -169:sc= -0.072 (180deg=-0.222) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.648 USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.14) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 2.19 (180deg=2.14) USER MOD Single : A 55 ASN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : B 115 SER OG : rot 84:sc= 0.937 USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 122 MET CE :methyl 180:sc= -0.0487 (180deg=-0.0487) USER MOD Single : B 133 SER OG : rot 34:sc= 0.0264 USER MOD Single : B 134 MET CE :methyl -176:sc=-0.00592 (180deg=-0.038) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 138 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.63) USER MOD Single : B 139 GLN : amide:sc= 0 K(o=0,f=-0.54) 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 74:sc= 0.39 USER MOD Single : B 149 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.13) USER MOD Single : B 152 LYS NZ :NH3+ 157:sc= 1.84 (180deg=1.33) USER MOD Single : B 155 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.1!) USER MOD Single : B 156 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.348 12.216 1.203 1.00 0.00 N ATOM 115 CA PRO A 10 -10.373 11.575 0.373 1.00 0.00 C ATOM 116 C PRO A 10 -9.815 10.514 -0.593 1.00 0.00 C ATOM 117 O PRO A 10 -8.633 10.513 -0.948 1.00 0.00 O ATOM 118 CB PRO A 10 -11.088 12.716 -0.369 1.00 0.00 C ATOM 119 CG PRO A 10 -10.036 13.821 -0.412 1.00 0.00 C ATOM 120 CD PRO A 10 -9.315 13.649 0.921 1.00 0.00 C ATOM 0 HA PRO A 10 -11.061 11.009 1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.395 12.414 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.987 13.037 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.358 13.702 -1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.489 14.808 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.289 14.013 0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.810 14.215 1.710 1.00 0.00 H new ATOM 128 N ILE A 11 -10.683 9.592 -1.019 1.00 0.00 N ATOM 129 CA ILE A 11 -10.296 8.362 -1.724 1.00 0.00 C ATOM 130 C ILE A 11 -9.666 8.594 -3.108 1.00 0.00 C ATOM 131 O ILE A 11 -8.795 7.824 -3.521 1.00 0.00 O ATOM 132 CB ILE A 11 -11.501 7.394 -1.780 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.025 5.982 -2.176 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.628 7.877 -2.709 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.005 4.890 -1.748 1.00 0.00 C ATOM 0 H ILE A 11 -11.690 9.678 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.494 7.903 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.932 7.365 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.888 5.939 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.052 5.790 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.442 7.152 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.998 8.841 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.244 7.981 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.620 3.916 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.123 4.911 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.971 5.062 -2.222 1.00 0.00 H new ATOM 147 N ASP A 12 -10.036 9.674 -3.801 1.00 0.00 N ATOM 148 CA ASP A 12 -9.444 10.057 -5.091 1.00 0.00 C ATOM 149 C ASP A 12 -8.004 10.593 -4.979 1.00 0.00 C ATOM 150 O ASP A 12 -7.284 10.595 -5.978 1.00 0.00 O ATOM 151 CB ASP A 12 -10.348 11.060 -5.834 1.00 0.00 C ATOM 152 CG ASP A 12 -10.590 12.424 -5.149 1.00 0.00 C ATOM 153 OD1 ASP A 12 -11.097 13.344 -5.837 1.00 0.00 O ATOM 154 OD2 ASP A 12 -10.309 12.590 -3.936 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.762 10.315 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.376 9.138 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.913 11.246 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.316 10.587 -5.999 1.00 0.00 H new ATOM 159 N GLU A 13 -7.545 11.003 -3.787 1.00 0.00 N ATOM 160 CA GLU A 13 -6.131 11.323 -3.538 1.00 0.00 C ATOM 161 C GLU A 13 -5.310 10.045 -3.303 1.00 0.00 C ATOM 162 O GLU A 13 -4.410 9.738 -4.080 1.00 0.00 O ATOM 163 CB GLU A 13 -5.979 12.298 -2.354 1.00 0.00 C ATOM 164 CG GLU A 13 -6.592 13.688 -2.592 1.00 0.00 C ATOM 165 CD GLU A 13 -5.974 14.461 -3.778 1.00 0.00 C ATOM 166 OE1 GLU A 13 -6.702 15.243 -4.438 1.00 0.00 O ATOM 167 OE2 GLU A 13 -4.757 14.313 -4.055 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.143 11.122 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.742 11.816 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.444 11.856 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.919 12.416 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.662 13.575 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.477 14.283 -1.686 1.00 0.00 H new ATOM 174 N LEU A 14 -5.631 9.261 -2.265 1.00 0.00 N ATOM 175 CA LEU A 14 -4.834 8.084 -1.881 1.00 0.00 C ATOM 176 C LEU A 14 -4.759 7.004 -2.979 1.00 0.00 C ATOM 177 O LEU A 14 -3.696 6.412 -3.189 1.00 0.00 O ATOM 178 CB LEU A 14 -5.337 7.518 -0.543 1.00 0.00 C ATOM 179 CG LEU A 14 -6.786 6.999 -0.549 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.823 5.475 -0.611 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.529 7.430 0.718 1.00 0.00 C ATOM 0 H LEU A 14 -6.444 9.421 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.806 8.422 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.678 6.703 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.250 8.295 0.216 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.267 7.423 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.859 5.136 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.328 5.136 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.309 5.063 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.550 7.050 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.018 7.029 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.548 8.518 0.776 1.00 0.00 H new ATOM 193 N SER A 15 -5.843 6.792 -3.730 1.00 0.00 N ATOM 194 CA SER A 15 -5.887 5.841 -4.849 1.00 0.00 C ATOM 195 C SER A 15 -5.074 6.318 -6.057 1.00 0.00 C ATOM 196 O SER A 15 -4.495 5.489 -6.756 1.00 0.00 O ATOM 197 CB SER A 15 -7.327 5.557 -5.294 1.00 0.00 C ATOM 198 OG SER A 15 -8.123 5.129 -4.199 1.00 0.00 O ATOM 0 H SER A 15 -6.726 7.280 -3.578 1.00 0.00 H new ATOM 0 HA SER A 15 -5.438 4.922 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.760 6.456 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.327 4.791 -6.070 1.00 0.00 H new ATOM 0 HG SER A 15 -8.519 5.909 -3.758 1.00 0.00 H new ATOM 204 N ALA A 16 -4.973 7.629 -6.301 1.00 0.00 N ATOM 205 CA ALA A 16 -4.075 8.186 -7.317 1.00 0.00 C ATOM 206 C ALA A 16 -2.605 8.158 -6.861 1.00 0.00 C ATOM 207 O ALA A 16 -1.715 7.894 -7.673 1.00 0.00 O ATOM 208 CB ALA A 16 -4.540 9.608 -7.654 1.00 0.00 C ATOM 0 H ALA A 16 -5.512 8.334 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.121 7.569 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.881 10.037 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.560 9.576 -8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.510 10.223 -6.755 1.00 0.00 H new ATOM 214 N LEU A 17 -2.333 8.395 -5.573 1.00 0.00 N ATOM 215 CA LEU A 17 -0.986 8.381 -4.995 1.00 0.00 C ATOM 216 C LEU A 17 -0.349 6.984 -5.043 1.00 0.00 C ATOM 217 O LEU A 17 0.801 6.879 -5.464 1.00 0.00 O ATOM 218 CB LEU A 17 -1.024 8.960 -3.562 1.00 0.00 C ATOM 219 CG LEU A 17 -0.582 10.433 -3.472 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.368 11.396 -4.365 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.729 10.913 -2.025 1.00 0.00 C ATOM 0 H LEU A 17 -3.060 8.606 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.344 9.018 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.038 8.871 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.381 8.358 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 17 0.451 10.449 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.986 12.408 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.256 11.099 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.423 11.368 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.418 11.955 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.770 10.823 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.104 10.302 -1.374 1.00 0.00 H new ATOM 233 N LEU A 18 -1.059 5.903 -4.697 1.00 0.00 N ATOM 234 CA LEU A 18 -0.497 4.544 -4.807 1.00 0.00 C ATOM 235 C LEU A 18 -0.223 4.141 -6.266 1.00 0.00 C ATOM 236 O LEU A 18 0.789 3.489 -6.536 1.00 0.00 O ATOM 237 CB LEU A 18 -1.345 3.525 -4.015 1.00 0.00 C ATOM 238 CG LEU A 18 -2.758 3.208 -4.542 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.800 2.083 -5.578 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.640 2.734 -3.390 1.00 0.00 C ATOM 0 H LEU A 18 -2.014 5.938 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 18 0.486 4.544 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.787 2.590 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.442 3.891 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.101 4.134 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.829 1.922 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.191 2.358 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.410 1.166 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.639 2.510 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.209 1.836 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.703 3.517 -2.634 1.00 0.00 H new ATOM 252 N ARG A 19 -1.054 4.588 -7.217 1.00 0.00 N ATOM 253 CA ARG A 19 -0.818 4.411 -8.662 1.00 0.00 C ATOM 254 C ARG A 19 0.436 5.160 -9.111 1.00 0.00 C ATOM 255 O ARG A 19 1.289 4.569 -9.771 1.00 0.00 O ATOM 256 CB ARG A 19 -2.067 4.844 -9.456 1.00 0.00 C ATOM 257 CG ARG A 19 -3.215 3.831 -9.287 1.00 0.00 C ATOM 258 CD ARG A 19 -4.534 4.321 -9.911 1.00 0.00 C ATOM 259 NE ARG A 19 -4.449 4.381 -11.377 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.406 4.683 -12.231 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.616 5.007 -11.860 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -5.132 4.640 -13.503 1.00 0.00 N ATOM 0 H ARG A 19 -1.918 5.088 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.641 3.355 -8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.394 5.827 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.815 4.939 -10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.930 2.884 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.370 3.637 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.345 3.653 -9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.778 5.309 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.539 4.162 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.855 5.035 -10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.321 5.232 -12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.197 4.378 -13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.852 4.869 -14.188 1.00 0.00 H new ATOM 276 N GLN A 20 0.603 6.411 -8.683 1.00 0.00 N ATOM 277 CA GLN A 20 1.745 7.268 -8.985 1.00 0.00 C ATOM 278 C GLN A 20 3.066 6.742 -8.391 1.00 0.00 C ATOM 279 O GLN A 20 4.085 6.740 -9.080 1.00 0.00 O ATOM 280 CB GLN A 20 1.387 8.673 -8.493 1.00 0.00 C ATOM 281 CG GLN A 20 2.469 9.708 -8.806 1.00 0.00 C ATOM 282 CD GLN A 20 2.126 11.128 -8.341 1.00 0.00 C ATOM 283 OE1 GLN A 20 2.963 11.856 -7.821 1.00 0.00 O ATOM 284 NE2 GLN A 20 0.895 11.588 -8.479 1.00 0.00 N ATOM 0 H GLN A 20 -0.086 6.874 -8.090 1.00 0.00 H new ATOM 0 HA GLN A 20 1.932 7.281 -10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.449 8.985 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.220 8.644 -7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.402 9.398 -8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.644 9.721 -9.882 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.177 11.004 -8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.662 12.527 -8.156 1.00 0.00 H new ATOM 293 N GLU A 21 3.058 6.222 -7.156 1.00 0.00 N ATOM 294 CA GLU A 21 4.228 5.554 -6.555 1.00 0.00 C ATOM 295 C GLU A 21 4.612 4.253 -7.290 1.00 0.00 C ATOM 296 O GLU A 21 5.800 3.951 -7.414 1.00 0.00 O ATOM 297 CB GLU A 21 3.977 5.254 -5.064 1.00 0.00 C ATOM 298 CG GLU A 21 3.931 6.483 -4.135 1.00 0.00 C ATOM 299 CD GLU A 21 5.218 7.334 -4.109 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.308 6.850 -4.498 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.132 8.505 -3.657 1.00 0.00 O1- ATOM 0 H GLU A 21 2.243 6.251 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 21 5.064 6.246 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.032 4.718 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.760 4.583 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.100 7.119 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.717 6.145 -3.121 1.00 0.00 H new ATOM 308 N MET A 22 3.631 3.520 -7.835 1.00 0.00 N ATOM 309 CA MET A 22 3.840 2.361 -8.722 1.00 0.00 C ATOM 310 C MET A 22 4.112 2.745 -10.202 1.00 0.00 C ATOM 311 O MET A 22 4.248 1.863 -11.053 1.00 0.00 O ATOM 312 CB MET A 22 2.657 1.387 -8.578 1.00 0.00 C ATOM 313 CG MET A 22 2.685 0.688 -7.211 1.00 0.00 C ATOM 314 SD MET A 22 1.452 -0.626 -6.978 1.00 0.00 S ATOM 315 CE MET A 22 -0.030 0.360 -6.682 1.00 0.00 C ATOM 0 H MET A 22 2.645 3.720 -7.669 1.00 0.00 H new ATOM 0 HA MET A 22 4.755 1.863 -8.401 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.718 1.929 -8.694 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.696 0.642 -9.373 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.677 0.262 -7.061 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.540 1.440 -6.435 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.833 -0.287 -6.329 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.182 1.119 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.336 0.845 -7.609 1.00 0.00 H new ATOM 325 N GLY A 23 4.248 4.038 -10.513 1.00 0.00 N ATOM 326 CA GLY A 23 4.656 4.566 -11.823 1.00 0.00 C ATOM 327 C GLY A 23 3.543 4.782 -12.857 1.00 0.00 C ATOM 328 O GLY A 23 3.840 5.197 -13.982 1.00 0.00 O ATOM 0 H GLY A 23 4.070 4.777 -9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.161 5.518 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.390 3.883 -12.251 1.00 0.00 H new ATOM 420 N MET A 34 -16.817 -4.837 -3.400 1.00 0.00 N ATOM 421 CA MET A 34 -15.890 -5.805 -2.792 1.00 0.00 C ATOM 422 C MET A 34 -14.797 -6.274 -3.773 1.00 0.00 C ATOM 423 O MET A 34 -13.679 -6.572 -3.350 1.00 0.00 O ATOM 424 CB MET A 34 -16.659 -6.987 -2.182 1.00 0.00 C ATOM 425 CG MET A 34 -16.930 -6.726 -0.694 1.00 0.00 C ATOM 426 SD MET A 34 -15.444 -6.853 0.340 1.00 0.00 S ATOM 427 CE MET A 34 -15.973 -5.972 1.836 1.00 0.00 C ATOM 0 HA MET A 34 -15.369 -5.291 -1.985 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.601 -7.131 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.084 -7.905 -2.300 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.360 -5.731 -0.579 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.674 -7.438 -0.337 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.161 -5.969 2.563 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.235 -4.945 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.842 -6.472 2.265 1.00 0.00 H new ATOM 437 N GLN A 35 -15.065 -6.270 -5.082 1.00 0.00 N ATOM 438 CA GLN A 35 -14.036 -6.499 -6.106 1.00 0.00 C ATOM 439 C GLN A 35 -13.055 -5.313 -6.227 1.00 0.00 C ATOM 440 O GLN A 35 -11.844 -5.509 -6.322 1.00 0.00 O ATOM 441 CB GLN A 35 -14.724 -6.810 -7.448 1.00 0.00 C ATOM 442 CG GLN A 35 -13.721 -7.000 -8.597 1.00 0.00 C ATOM 443 CD GLN A 35 -14.331 -7.538 -9.891 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.531 -7.768 -10.032 1.00 0.00 O ATOM 445 NE2 GLN A 35 -13.522 -7.744 -10.912 1.00 0.00 N ATOM 0 H GLN A 35 -15.997 -6.109 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.430 -7.354 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.326 -7.713 -7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.408 -5.999 -7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.243 -6.043 -8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.937 -7.683 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.523 -7.560 -10.817 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.895 -8.088 -11.797 1.00 0.00 H new ATOM 454 N ASP A 36 -13.567 -4.080 -6.193 1.00 0.00 N ATOM 455 CA ASP A 36 -12.788 -2.846 -6.350 1.00 0.00 C ATOM 456 C ASP A 36 -11.780 -2.634 -5.208 1.00 0.00 C ATOM 457 O ASP A 36 -10.592 -2.400 -5.449 1.00 0.00 O ATOM 458 CB ASP A 36 -13.771 -1.669 -6.467 1.00 0.00 C ATOM 459 CG ASP A 36 -13.114 -0.338 -6.863 1.00 0.00 C ATOM 460 OD1 ASP A 36 -12.083 -0.332 -7.578 1.00 0.00 O ATOM 461 OD2 ASP A 36 -13.681 0.723 -6.502 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.562 -3.906 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.186 -2.919 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.533 -1.919 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.281 -1.540 -5.512 1.00 0.00 H new ATOM 466 N ILE A 37 -12.226 -2.794 -3.953 1.00 0.00 N ATOM 467 CA ILE A 37 -11.357 -2.724 -2.765 1.00 0.00 C ATOM 468 C ILE A 37 -10.263 -3.805 -2.784 1.00 0.00 C ATOM 469 O ILE A 37 -9.111 -3.491 -2.489 1.00 0.00 O ATOM 470 CB ILE A 37 -12.196 -2.761 -1.466 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.309 -2.567 -0.217 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.014 -4.053 -1.344 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.109 -2.370 1.074 1.00 0.00 C ATOM 0 H ILE A 37 -13.205 -2.977 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.837 -1.767 -2.791 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.897 -1.929 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.659 -3.435 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.663 -1.703 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.587 -4.035 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.696 -4.133 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.341 -4.910 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.423 -2.240 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.739 -1.485 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.735 -3.244 1.251 1.00 0.00 H new ATOM 485 N GLN A 38 -10.574 -5.047 -3.179 1.00 0.00 N ATOM 486 CA GLN A 38 -9.577 -6.116 -3.291 1.00 0.00 C ATOM 487 C GLN A 38 -8.513 -5.774 -4.344 1.00 0.00 C ATOM 488 O GLN A 38 -7.319 -5.889 -4.068 1.00 0.00 O ATOM 489 CB GLN A 38 -10.235 -7.457 -3.657 1.00 0.00 C ATOM 490 CG GLN A 38 -10.869 -8.172 -2.454 1.00 0.00 C ATOM 491 CD GLN A 38 -11.460 -9.531 -2.854 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.639 -9.814 -2.682 1.00 0.00 O ATOM 493 NE2 GLN A 38 -10.677 -10.440 -3.401 1.00 0.00 N ATOM 0 H GLN A 38 -11.520 -5.336 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.099 -6.208 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.001 -7.283 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.487 -8.110 -4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.118 -8.315 -1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.652 -7.545 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.690 -10.235 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.058 -11.348 -3.667 1.00 0.00 H new ATOM 502 N GLN A 39 -8.921 -5.334 -5.542 1.00 0.00 N ATOM 503 CA GLN A 39 -8.001 -5.014 -6.644 1.00 0.00 C ATOM 504 C GLN A 39 -7.074 -3.828 -6.311 1.00 0.00 C ATOM 505 O GLN A 39 -5.893 -3.861 -6.664 1.00 0.00 O ATOM 506 CB GLN A 39 -8.804 -4.746 -7.923 1.00 0.00 C ATOM 507 CG GLN A 39 -9.371 -6.048 -8.525 1.00 0.00 C ATOM 508 CD GLN A 39 -10.259 -5.864 -9.763 1.00 0.00 C ATOM 509 OE1 GLN A 39 -10.849 -6.811 -10.271 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.409 -4.670 -10.306 1.00 0.00 N ATOM 0 H GLN A 39 -9.903 -5.189 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.351 -5.875 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.622 -4.061 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.166 -4.254 -8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.538 -6.700 -8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.948 -6.563 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.930 -3.864 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.004 -4.554 -11.127 1.00 0.00 H new ATOM 519 N LEU A 40 -7.567 -2.810 -5.595 1.00 0.00 N ATOM 520 CA LEU A 40 -6.741 -1.705 -5.094 1.00 0.00 C ATOM 521 C LEU A 40 -5.733 -2.184 -4.029 1.00 0.00 C ATOM 522 O LEU A 40 -4.531 -1.919 -4.141 1.00 0.00 O ATOM 523 CB LEU A 40 -7.650 -0.598 -4.524 1.00 0.00 C ATOM 524 CG LEU A 40 -8.418 0.210 -5.584 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.532 1.030 -4.927 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.493 1.180 -6.334 1.00 0.00 C ATOM 0 H LEU A 40 -8.553 -2.729 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.163 -1.305 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.368 -1.052 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.040 0.087 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.837 -0.508 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.066 1.596 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.226 0.360 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.098 1.719 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.070 1.734 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.047 1.878 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.705 0.618 -6.835 1.00 0.00 H new ATOM 538 N LEU A 41 -6.219 -2.891 -3.002 1.00 0.00 N ATOM 539 CA LEU A 41 -5.443 -3.251 -1.813 1.00 0.00 C ATOM 540 C LEU A 41 -4.423 -4.378 -2.064 1.00 0.00 C ATOM 541 O LEU A 41 -3.403 -4.448 -1.378 1.00 0.00 O ATOM 542 CB LEU A 41 -6.453 -3.569 -0.697 1.00 0.00 C ATOM 543 CG LEU A 41 -5.892 -3.565 0.739 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.407 -2.172 1.137 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.001 -3.950 1.720 1.00 0.00 C ATOM 0 H LEU A 41 -7.179 -3.234 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.811 -2.416 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.265 -2.844 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.887 -4.549 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.063 -4.272 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.017 -2.200 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.619 -1.852 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.238 -1.469 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.605 -3.947 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.817 -3.231 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.372 -4.946 1.478 1.00 0.00 H new ATOM 557 N ALA A 42 -4.642 -5.223 -3.084 1.00 0.00 N ATOM 558 CA ALA A 42 -3.662 -6.211 -3.544 1.00 0.00 C ATOM 559 C ALA A 42 -2.396 -5.569 -4.144 1.00 0.00 C ATOM 560 O ALA A 42 -1.279 -6.006 -3.842 1.00 0.00 O ATOM 561 CB ALA A 42 -4.334 -7.127 -4.580 1.00 0.00 C ATOM 0 H ALA A 42 -5.513 -5.237 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.333 -6.784 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.616 -7.868 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.183 -7.634 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.681 -6.530 -5.423 1.00 0.00 H new ATOM 567 N LYS A 43 -2.544 -4.525 -4.974 1.00 0.00 N ATOM 568 CA LYS A 43 -1.423 -3.881 -5.682 1.00 0.00 C ATOM 569 C LYS A 43 -0.484 -3.141 -4.724 1.00 0.00 C ATOM 570 O LYS A 43 0.732 -3.327 -4.805 1.00 0.00 O ATOM 571 CB LYS A 43 -1.954 -2.952 -6.782 1.00 0.00 C ATOM 572 CG LYS A 43 -2.631 -3.730 -7.923 1.00 0.00 C ATOM 573 CD LYS A 43 -3.210 -2.811 -9.008 1.00 0.00 C ATOM 574 CE LYS A 43 -2.124 -2.029 -9.756 1.00 0.00 C ATOM 575 NZ LYS A 43 -2.696 -1.244 -10.879 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.449 -4.100 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.829 -4.666 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.667 -2.251 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.131 -2.362 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.906 -4.407 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.430 -4.347 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.779 -3.409 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.908 -2.110 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.615 -1.358 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.374 -2.721 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.935 -0.727 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.160 -1.887 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.394 -0.567 -10.509 1.00 0.00 H new ATOM 589 N SER A 44 -1.031 -2.378 -3.777 1.00 0.00 N ATOM 590 CA SER A 44 -0.232 -1.684 -2.761 1.00 0.00 C ATOM 591 C SER A 44 0.512 -2.662 -1.832 1.00 0.00 C ATOM 592 O SER A 44 1.697 -2.470 -1.549 1.00 0.00 O ATOM 593 CB SER A 44 -1.122 -0.719 -1.971 1.00 0.00 C ATOM 594 OG SER A 44 -2.151 -1.417 -1.290 1.00 0.00 O ATOM 0 H SER A 44 -2.035 -2.223 -3.691 1.00 0.00 H new ATOM 0 HA SER A 44 0.540 -1.110 -3.273 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.517 -0.166 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.561 0.013 -2.649 1.00 0.00 H new ATOM 0 HG SER A 44 -2.704 -0.780 -0.792 1.00 0.00 H new ATOM 600 N LEU A 45 -0.119 -3.766 -1.417 1.00 0.00 N ATOM 601 CA LEU A 45 0.528 -4.853 -0.659 1.00 0.00 C ATOM 602 C LEU A 45 1.670 -5.511 -1.463 1.00 0.00 C ATOM 603 O LEU A 45 2.773 -5.698 -0.941 1.00 0.00 O ATOM 604 CB LEU A 45 -0.576 -5.838 -0.206 1.00 0.00 C ATOM 605 CG LEU A 45 -0.164 -7.094 0.588 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.265 -8.256 -0.312 1.00 0.00 C ATOM 607 CD2 LEU A 45 0.917 -6.817 1.634 1.00 0.00 C ATOM 0 H LEU A 45 -1.108 -3.936 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 45 1.022 -4.463 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.288 -5.280 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.110 -6.170 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.070 -7.392 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.543 -9.111 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.562 -8.534 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.119 -7.952 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.162 -7.741 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.810 -6.431 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.551 -6.081 2.349 1.00 0.00 H new ATOM 619 N THR A 46 1.450 -5.790 -2.749 1.00 0.00 N ATOM 620 CA THR A 46 2.491 -6.341 -3.640 1.00 0.00 C ATOM 621 C THR A 46 3.701 -5.405 -3.746 1.00 0.00 C ATOM 622 O THR A 46 4.845 -5.866 -3.711 1.00 0.00 O ATOM 623 CB THR A 46 1.914 -6.640 -5.035 1.00 0.00 C ATOM 624 OG1 THR A 46 0.893 -7.618 -4.943 1.00 0.00 O ATOM 625 CG2 THR A 46 2.951 -7.192 -6.020 1.00 0.00 C ATOM 0 H THR A 46 0.551 -5.644 -3.208 1.00 0.00 H new ATOM 0 HA THR A 46 2.836 -7.276 -3.199 1.00 0.00 H new ATOM 0 HB THR A 46 1.544 -5.683 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.081 -7.210 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.475 -7.380 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.754 -6.466 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.363 -8.123 -5.631 1.00 0.00 H new ATOM 633 N GLU A 47 3.480 -4.089 -3.811 1.00 0.00 N ATOM 634 CA GLU A 47 4.571 -3.106 -3.866 1.00 0.00 C ATOM 635 C GLU A 47 5.382 -3.035 -2.554 1.00 0.00 C ATOM 636 O GLU A 47 6.608 -2.919 -2.612 1.00 0.00 O ATOM 637 CB GLU A 47 4.009 -1.740 -4.298 1.00 0.00 C ATOM 638 CG GLU A 47 5.041 -0.605 -4.465 1.00 0.00 C ATOM 639 CD GLU A 47 6.005 -0.774 -5.659 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.469 0.248 -6.217 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.351 -1.903 -6.069 1.00 0.00 O1- ATOM 0 H GLU A 47 2.548 -3.675 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 47 5.291 -3.433 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.484 -1.869 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.268 -1.425 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.507 0.338 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.629 -0.530 -3.550 1.00 0.00 H new ATOM 648 N ILE A 48 4.756 -3.192 -1.378 1.00 0.00 N ATOM 649 CA ILE A 48 5.482 -3.307 -0.093 1.00 0.00 C ATOM 650 C ILE A 48 6.408 -4.530 -0.126 1.00 0.00 C ATOM 651 O ILE A 48 7.601 -4.404 0.160 1.00 0.00 O ATOM 652 CB ILE A 48 4.527 -3.375 1.124 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.735 -2.060 1.264 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.295 -3.663 2.431 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.494 -2.202 2.157 1.00 0.00 C ATOM 0 H ILE A 48 3.742 -3.243 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 48 6.078 -2.403 0.030 1.00 0.00 H new ATOM 0 HB ILE A 48 3.832 -4.196 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.388 -1.291 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.428 -1.720 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.593 -3.704 3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.813 -4.618 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.022 -2.871 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.978 -1.244 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.824 -2.949 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.798 -2.514 3.156 1.00 0.00 H new ATOM 667 N LYS A 49 5.889 -5.701 -0.530 1.00 0.00 N ATOM 668 CA LYS A 49 6.679 -6.941 -0.634 1.00 0.00 C ATOM 669 C LYS A 49 7.862 -6.784 -1.597 1.00 0.00 C ATOM 670 O LYS A 49 8.982 -7.169 -1.249 1.00 0.00 O ATOM 671 CB LYS A 49 5.772 -8.103 -1.060 1.00 0.00 C ATOM 672 CG LYS A 49 4.839 -8.556 0.075 1.00 0.00 C ATOM 673 CD LYS A 49 3.932 -9.703 -0.399 1.00 0.00 C ATOM 674 CE LYS A 49 3.036 -10.237 0.725 1.00 0.00 C ATOM 675 NZ LYS A 49 3.786 -11.067 1.702 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.910 -5.816 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 49 7.097 -7.160 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.175 -7.800 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.387 -8.944 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.430 -8.882 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.229 -7.717 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.309 -9.354 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.548 -10.514 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.572 -9.399 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.230 -10.829 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.116 -11.619 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.421 -11.714 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.346 -10.450 2.324 1.00 0.00 H new ATOM 689 N ARG A 50 7.640 -6.162 -2.762 1.00 0.00 N ATOM 690 CA ARG A 50 8.672 -5.895 -3.779 1.00 0.00 C ATOM 691 C ARG A 50 9.768 -4.966 -3.249 1.00 0.00 C ATOM 692 O ARG A 50 10.952 -5.289 -3.373 1.00 0.00 O ATOM 693 CB ARG A 50 7.980 -5.367 -5.053 1.00 0.00 C ATOM 694 CG ARG A 50 8.894 -5.334 -6.296 1.00 0.00 C ATOM 695 CD ARG A 50 9.702 -4.045 -6.486 1.00 0.00 C ATOM 696 NE ARG A 50 8.843 -2.923 -6.922 1.00 0.00 N ATOM 697 CZ ARG A 50 9.024 -2.110 -7.947 1.00 0.00 C ATOM 698 NH1 ARG A 50 10.016 -2.231 -8.788 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.178 -1.149 -8.147 1.00 0.00 N ATOM 0 H ARG A 50 6.717 -5.822 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 50 9.193 -6.818 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.113 -5.992 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.608 -4.361 -4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.588 -6.172 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.279 -5.491 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.196 -3.783 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.486 -4.212 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 50 8.007 -2.756 -6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.697 -2.981 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.110 -1.575 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.385 -1.028 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.305 -0.513 -8.935 1.00 0.00 H new ATOM 713 N LEU A 51 9.399 -3.845 -2.622 1.00 0.00 N ATOM 714 CA LEU A 51 10.354 -2.876 -2.062 1.00 0.00 C ATOM 715 C LEU A 51 11.167 -3.457 -0.900 1.00 0.00 C ATOM 716 O LEU A 51 12.387 -3.281 -0.875 1.00 0.00 O ATOM 717 CB LEU A 51 9.619 -1.596 -1.615 1.00 0.00 C ATOM 718 CG LEU A 51 9.646 -0.421 -2.610 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.047 0.195 -2.725 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.171 -0.805 -4.011 1.00 0.00 C ATOM 0 H LEU A 51 8.423 -3.580 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 51 11.061 -2.629 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.579 -1.850 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.055 -1.260 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 51 8.949 0.309 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.024 1.021 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.363 0.565 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.750 -0.563 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.215 0.068 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.814 -1.589 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.145 -1.169 -3.960 1.00 0.00 H new ATOM 732 N LYS A 52 10.525 -4.155 0.049 1.00 0.00 N ATOM 733 CA LYS A 52 11.208 -4.776 1.197 1.00 0.00 C ATOM 734 C LYS A 52 12.220 -5.842 0.752 1.00 0.00 C ATOM 735 O LYS A 52 13.353 -5.847 1.236 1.00 0.00 O ATOM 736 CB LYS A 52 10.178 -5.378 2.167 1.00 0.00 C ATOM 737 CG LYS A 52 9.394 -4.304 2.944 1.00 0.00 C ATOM 738 CD LYS A 52 8.333 -4.916 3.872 1.00 0.00 C ATOM 739 CE LYS A 52 9.010 -5.613 5.050 1.00 0.00 C ATOM 740 NZ LYS A 52 8.043 -6.345 5.899 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.516 -4.306 0.043 1.00 0.00 H new ATOM 0 HA LYS A 52 11.766 -3.995 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.478 -5.999 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.689 -6.031 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.088 -3.706 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.911 -3.628 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.663 -4.137 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.722 -5.629 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.761 -6.309 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.534 -4.873 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.555 -6.857 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.382 -5.670 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.512 -7.023 5.315 1.00 0.00 H new ATOM 754 N ALA A 53 11.841 -6.694 -0.200 1.00 0.00 N ATOM 755 CA ALA A 53 12.729 -7.713 -0.763 1.00 0.00 C ATOM 756 C ALA A 53 13.940 -7.091 -1.491 1.00 0.00 C ATOM 757 O ALA A 53 15.076 -7.527 -1.281 1.00 0.00 O ATOM 758 CB ALA A 53 11.917 -8.605 -1.707 1.00 0.00 C ATOM 0 H ALA A 53 10.905 -6.698 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 53 13.137 -8.311 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.566 -9.369 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.110 -9.083 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.496 -7.998 -2.508 1.00 0.00 H new ATOM 764 N ALA A 54 13.719 -6.048 -2.303 1.00 0.00 N ATOM 765 CA ALA A 54 14.777 -5.332 -3.017 1.00 0.00 C ATOM 766 C ALA A 54 15.752 -4.628 -2.052 1.00 0.00 C ATOM 767 O ALA A 54 16.966 -4.802 -2.169 1.00 0.00 O ATOM 768 CB ALA A 54 14.133 -4.337 -3.989 1.00 0.00 C ATOM 0 H ALA A 54 12.787 -5.675 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 54 15.374 -6.052 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.913 -3.797 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.508 -4.876 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.520 -3.629 -3.432 1.00 0.00 H new ATOM 774 N ASN A 55 15.225 -3.886 -1.070 1.00 0.00 N ATOM 775 CA ASN A 55 16.003 -3.188 -0.039 1.00 0.00 C ATOM 776 C ASN A 55 16.894 -4.163 0.757 1.00 0.00 C ATOM 777 O ASN A 55 18.096 -3.921 0.902 1.00 0.00 O ATOM 778 CB ASN A 55 15.011 -2.407 0.850 1.00 0.00 C ATOM 779 CG ASN A 55 15.656 -1.454 1.850 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.653 -1.752 2.491 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.099 -0.279 2.029 1.00 0.00 N ATOM 0 H ASN A 55 14.219 -3.751 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 55 16.699 -2.484 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.341 -1.836 0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.396 -3.122 1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.498 0.378 2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.267 -0.023 1.498 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.077 -13.795 -1.356 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.164 -13.051 -0.706 1.00 0.00 C ATOM 1056 C PRO B 110 -9.658 -11.946 0.236 1.00 0.00 C ATOM 1057 O PRO B 110 -8.528 -11.992 0.735 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.004 -14.098 0.033 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.029 -15.251 0.257 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.166 -15.207 -1.000 1.00 0.00 C ATOM 0 HA PRO B 110 -10.756 -12.515 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.389 -13.710 0.976 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -11.865 -14.411 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.436 -15.110 1.161 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.546 -16.205 0.360 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.178 -15.629 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.614 -15.788 -1.806 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.521 -10.955 0.496 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.164 -9.730 1.234 1.00 0.00 C ATOM 1070 C ILE B 111 -9.608 -9.988 2.641 1.00 0.00 C ATOM 1071 O ILE B 111 -8.701 -9.278 3.074 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.355 -8.742 1.246 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.896 -7.385 1.824 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.591 -9.272 2.006 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.787 -6.227 1.394 1.00 0.00 C ATOM 0 H ILE B 111 -11.496 -10.979 0.198 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.336 -9.270 0.694 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.676 -8.618 0.212 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.885 -7.444 2.912 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.873 -7.187 1.505 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.386 -8.527 1.973 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.938 -10.194 1.539 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.323 -9.470 3.044 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.415 -5.300 1.831 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.778 -6.145 0.307 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.806 -6.406 1.736 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.085 -11.024 3.337 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.613 -11.394 4.678 1.00 0.00 C ATOM 1089 C ASP B 112 -8.107 -11.736 4.704 1.00 0.00 C ATOM 1090 O ASP B 112 -7.438 -11.501 5.712 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.406 -12.606 5.213 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.937 -12.444 5.280 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.460 -11.313 5.161 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.624 -13.477 5.467 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.819 -11.638 2.982 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.775 -10.523 5.313 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.180 -13.467 4.584 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -10.042 -12.838 6.214 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.565 -12.263 3.599 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.139 -12.566 3.455 1.00 0.00 C ATOM 1101 C GLU B 113 -5.337 -11.300 3.125 1.00 0.00 C ATOM 1102 O GLU B 113 -4.450 -10.929 3.893 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.915 -13.665 2.401 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.626 -14.996 2.714 1.00 0.00 C ATOM 1105 CD GLU B 113 -6.240 -15.619 4.072 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -7.128 -16.203 4.744 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -5.055 -15.574 4.473 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.113 -12.493 2.770 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.775 -12.945 4.410 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.260 -13.300 1.434 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.845 -13.851 2.308 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.703 -14.832 2.696 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.399 -15.710 1.922 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.633 -10.588 2.025 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.838 -9.410 1.625 1.00 0.00 C ATOM 1116 C LEU B 114 -4.883 -8.250 2.645 1.00 0.00 C ATOM 1117 O LEU B 114 -3.902 -7.508 2.766 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.144 -8.970 0.178 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.611 -8.717 -0.232 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -7.168 -7.406 0.321 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -6.694 -8.612 -1.751 1.00 0.00 C ATOM 0 H LEU B 114 -6.410 -10.803 1.400 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.797 -9.733 1.634 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.586 -8.053 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.742 -9.732 -0.490 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.190 -9.549 0.170 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -8.202 -7.285 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -7.127 -7.424 1.410 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.572 -6.572 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -7.728 -8.433 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.070 -7.786 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -6.343 -9.541 -2.200 1.00 0.00 H new ATOM 1133 N SER B 115 -5.963 -8.133 3.431 1.00 0.00 N ATOM 1134 CA SER B 115 -6.077 -7.143 4.516 1.00 0.00 C ATOM 1135 C SER B 115 -5.220 -7.516 5.733 1.00 0.00 C ATOM 1136 O SER B 115 -4.678 -6.640 6.402 1.00 0.00 O ATOM 1137 CB SER B 115 -7.525 -6.991 4.978 1.00 0.00 C ATOM 1138 OG SER B 115 -8.385 -6.637 3.911 1.00 0.00 O ATOM 0 H SER B 115 -6.788 -8.725 3.333 1.00 0.00 H new ATOM 0 HA SER B 115 -5.717 -6.201 4.101 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.864 -7.927 5.423 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.580 -6.230 5.756 1.00 0.00 H new ATOM 0 HG SER B 115 -8.655 -7.445 3.426 1.00 0.00 H new ATOM 1144 N ALA B 116 -5.069 -8.813 6.022 1.00 0.00 N ATOM 1145 CA ALA B 116 -4.148 -9.297 7.045 1.00 0.00 C ATOM 1146 C ALA B 116 -2.682 -9.220 6.595 1.00 0.00 C ATOM 1147 O ALA B 116 -1.824 -8.849 7.393 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.520 -10.732 7.422 1.00 0.00 C ATOM 0 H ALA B 116 -5.585 -9.555 5.549 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.242 -8.649 7.916 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.834 -11.097 8.186 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.539 -10.754 7.809 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.453 -11.369 6.540 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.378 -9.533 5.331 1.00 0.00 N ATOM 1155 CA LEU B 117 -1.010 -9.554 4.807 1.00 0.00 C ATOM 1156 C LEU B 117 -0.327 -8.178 4.899 1.00 0.00 C ATOM 1157 O LEU B 117 0.842 -8.125 5.287 1.00 0.00 O ATOM 1158 CB LEU B 117 -1.006 -10.110 3.365 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.600 -11.598 3.279 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.559 -12.556 3.984 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.537 -12.024 1.809 1.00 0.00 C ATOM 0 H LEU B 117 -3.083 -9.781 4.637 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.418 -10.221 5.434 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -2.000 -9.987 2.934 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.320 -9.519 2.758 1.00 0.00 H new ATOM 0 HG LEU B 117 0.365 -11.664 3.782 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.198 -13.579 3.874 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.614 -12.303 5.043 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.550 -12.471 3.539 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.251 -13.074 1.746 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.515 -11.887 1.348 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.200 -11.415 1.285 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.018 -7.066 4.630 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.424 -5.726 4.803 1.00 0.00 C ATOM 1175 C LEU B 118 -0.111 -5.411 6.277 1.00 0.00 C ATOM 1176 O LEU B 118 0.944 -4.852 6.577 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.303 -4.665 4.095 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.613 -4.287 4.816 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.458 -3.057 5.714 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.719 -3.984 3.811 1.00 0.00 C ATOM 0 H LEU B 118 -1.981 -7.061 4.294 1.00 0.00 H new ATOM 0 HA LEU B 118 0.551 -5.703 4.316 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.710 -3.760 3.962 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.552 -5.033 3.100 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.870 -5.150 5.431 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.410 -2.836 6.196 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.703 -3.255 6.475 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.150 -2.203 5.111 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.633 -3.720 4.344 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.416 -3.151 3.176 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.900 -4.864 3.193 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.975 -5.837 7.208 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.783 -5.675 8.658 1.00 0.00 C ATOM 1194 C ARG B 119 0.385 -6.531 9.167 1.00 0.00 C ATOM 1195 O ARG B 119 1.208 -6.058 9.944 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.099 -6.028 9.385 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.217 -5.010 9.067 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.622 -5.498 9.459 1.00 0.00 C ATOM 1199 NE ARG B 119 -4.761 -5.705 10.912 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.789 -5.409 11.684 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.856 -4.812 11.240 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -5.753 -5.733 12.942 1.00 0.00 N ATOM 0 H ARG B 119 -1.845 -6.314 6.971 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.526 -4.637 8.870 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.421 -7.027 9.090 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.925 -6.054 10.461 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.007 -4.077 9.589 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.203 -4.788 8.000 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -5.362 -4.770 9.126 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.837 -6.432 8.940 1.00 0.00 H new ATOM 0 HE ARG B 119 -3.961 -6.131 11.380 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.923 -4.552 10.256 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.626 -4.604 11.876 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -4.936 -6.211 13.322 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -6.542 -5.509 13.549 1.00 0.00 H new ATOM 1216 N GLN B 120 0.512 -7.756 8.654 1.00 0.00 N ATOM 1217 CA GLN B 120 1.633 -8.677 8.902 1.00 0.00 C ATOM 1218 C GLN B 120 2.968 -8.136 8.348 1.00 0.00 C ATOM 1219 O GLN B 120 3.982 -8.189 9.050 1.00 0.00 O ATOM 1220 CB GLN B 120 1.301 -10.047 8.284 1.00 0.00 C ATOM 1221 CG GLN B 120 0.215 -10.821 9.055 1.00 0.00 C ATOM 1222 CD GLN B 120 -0.338 -12.009 8.268 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.149 -12.403 7.211 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -1.391 -12.646 8.748 1.00 0.00 N ATOM 0 H GLN B 120 -0.189 -8.154 8.029 1.00 0.00 H new ATOM 0 HA GLN B 120 1.763 -8.777 9.980 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.972 -9.903 7.255 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.208 -10.650 8.247 1.00 0.00 H new ATOM 0 HG2 GLN B 120 0.630 -11.177 9.998 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.602 -10.143 9.302 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -1.816 -12.341 9.624 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -1.779 -13.443 8.243 1.00 0.00 H new ATOM 1233 N GLU B 121 2.986 -7.555 7.143 1.00 0.00 N ATOM 1234 CA GLU B 121 4.190 -6.939 6.555 1.00 0.00 C ATOM 1235 C GLU B 121 4.658 -5.688 7.315 1.00 0.00 C ATOM 1236 O GLU B 121 5.861 -5.421 7.381 1.00 0.00 O ATOM 1237 CB GLU B 121 3.945 -6.582 5.075 1.00 0.00 C ATOM 1238 CG GLU B 121 3.962 -7.786 4.120 1.00 0.00 C ATOM 1239 CD GLU B 121 5.308 -8.522 4.031 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.358 -7.971 4.438 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.320 -9.671 3.537 1.00 0.00 O1- ATOM 0 H GLU B 121 2.164 -7.497 6.542 1.00 0.00 H new ATOM 0 HA GLU B 121 4.984 -7.682 6.634 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.981 -6.080 4.990 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.705 -5.869 4.755 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.197 -8.495 4.438 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.685 -7.444 3.123 1.00 0.00 H new ATOM 1248 N MET B 122 3.738 -4.934 7.922 1.00 0.00 N ATOM 1249 CA MET B 122 4.057 -3.802 8.808 1.00 0.00 C ATOM 1250 C MET B 122 4.467 -4.219 10.234 1.00 0.00 C ATOM 1251 O MET B 122 4.913 -3.374 11.016 1.00 0.00 O ATOM 1252 CB MET B 122 2.854 -2.847 8.853 1.00 0.00 C ATOM 1253 CG MET B 122 2.610 -2.185 7.496 1.00 0.00 C ATOM 1254 SD MET B 122 1.037 -1.304 7.412 1.00 0.00 S ATOM 1255 CE MET B 122 0.739 -1.410 5.635 1.00 0.00 C ATOM 0 H MET B 122 2.736 -5.091 7.813 1.00 0.00 H new ATOM 0 HA MET B 122 4.931 -3.304 8.388 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.963 -3.397 9.156 1.00 0.00 H new ATOM 0 HB3 MET B 122 3.026 -2.079 9.607 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.422 -1.488 7.287 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.635 -2.947 6.717 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.201 -0.913 5.393 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.555 -0.924 5.100 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.683 -2.457 5.337 1.00 0.00 H new ATOM 1349 N SER B 133 -17.033 -0.017 4.142 1.00 0.00 N ATOM 1350 CA SER B 133 -17.540 1.365 4.244 1.00 0.00 C ATOM 1351 C SER B 133 -16.448 2.374 3.856 1.00 0.00 C ATOM 1352 O SER B 133 -15.259 2.086 4.008 1.00 0.00 O ATOM 1353 CB SER B 133 -18.060 1.666 5.657 1.00 0.00 C ATOM 1354 OG SER B 133 -19.168 0.824 5.973 1.00 0.00 O ATOM 0 HA SER B 133 -18.373 1.463 3.547 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.262 1.515 6.384 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.360 2.712 5.725 1.00 0.00 H new ATOM 0 HG SER B 133 -19.049 -0.048 5.543 1.00 0.00 H new ATOM 1360 N MET B 134 -16.821 3.561 3.366 1.00 0.00 N ATOM 1361 CA MET B 134 -15.878 4.509 2.729 1.00 0.00 C ATOM 1362 C MET B 134 -14.700 4.915 3.638 1.00 0.00 C ATOM 1363 O MET B 134 -13.550 4.932 3.194 1.00 0.00 O ATOM 1364 CB MET B 134 -16.648 5.739 2.214 1.00 0.00 C ATOM 1365 CG MET B 134 -15.806 6.625 1.279 1.00 0.00 C ATOM 1366 SD MET B 134 -16.183 6.492 -0.497 1.00 0.00 S ATOM 1367 CE MET B 134 -15.700 4.774 -0.833 1.00 0.00 C ATOM 0 H MET B 134 -17.783 3.899 3.396 1.00 0.00 H new ATOM 0 HA MET B 134 -15.420 3.990 1.887 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.541 5.407 1.685 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.984 6.333 3.064 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.936 7.664 1.581 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.754 6.379 1.427 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.807 4.568 -1.898 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.662 4.623 -0.537 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.341 4.098 -0.266 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.948 5.163 4.925 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.894 5.483 5.899 1.00 0.00 C ATOM 1379 C GLN B 135 -12.913 4.310 6.123 1.00 0.00 C ATOM 1380 O GLN B 135 -11.713 4.536 6.296 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.579 5.919 7.205 1.00 0.00 C ATOM 1382 CG GLN B 135 -13.586 6.303 8.312 1.00 0.00 C ATOM 1383 CD GLN B 135 -14.257 6.821 9.587 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.471 6.939 9.713 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -13.483 7.156 10.601 1.00 0.00 N ATOM 0 H GLN B 135 -15.886 5.148 5.326 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.277 6.294 5.511 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.230 6.769 7.000 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.215 5.109 7.562 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -12.977 5.433 8.560 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -12.909 7.068 7.932 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -12.470 7.067 10.521 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -13.897 7.504 11.466 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.400 3.067 6.074 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.585 1.857 6.257 1.00 0.00 C ATOM 1396 C ASP B 136 -11.651 1.622 5.060 1.00 0.00 C ATOM 1397 O ASP B 136 -10.454 1.385 5.248 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.463 0.618 6.494 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.440 0.721 7.680 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -14.189 1.485 8.648 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -15.458 -0.011 7.663 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.386 2.867 5.904 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.972 2.018 7.144 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.036 0.421 5.588 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.813 -0.242 6.654 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.162 1.730 3.826 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.332 1.629 2.611 1.00 0.00 C ATOM 1408 C ILE B 137 -10.318 2.776 2.524 1.00 0.00 C ATOM 1409 O ILE B 137 -9.152 2.511 2.230 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.184 1.474 1.326 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.287 1.371 0.072 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.224 2.584 1.148 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.067 1.045 -1.206 1.00 0.00 C ATOM 0 H ILE B 137 -13.152 1.888 3.639 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.753 0.709 2.691 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.738 0.543 1.447 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.756 2.313 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.533 0.601 0.235 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.785 2.413 0.229 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.908 2.581 1.996 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.720 3.549 1.092 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.378 0.987 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.576 0.089 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.803 1.827 -1.393 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.702 4.018 2.842 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.770 5.154 2.868 1.00 0.00 C ATOM 1427 C GLN B 138 -8.577 4.887 3.795 1.00 0.00 C ATOM 1428 O GLN B 138 -7.432 4.921 3.343 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.478 6.447 3.306 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.321 7.115 2.210 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.095 8.305 2.765 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.307 8.271 2.951 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.430 9.398 3.089 1.00 0.00 N ATOM 0 H GLN B 138 -11.661 4.264 3.087 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.400 5.278 1.850 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.122 6.223 4.156 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.728 7.157 3.653 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.673 7.445 1.398 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.016 6.389 1.788 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.422 9.444 2.941 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.924 10.197 3.487 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.820 4.585 5.081 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.739 4.429 6.059 1.00 0.00 C ATOM 1444 C GLN B 139 -6.894 3.161 5.806 1.00 0.00 C ATOM 1445 O GLN B 139 -5.668 3.227 5.927 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.300 4.507 7.495 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.076 3.261 7.958 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.827 3.459 9.275 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.928 4.541 9.839 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -10.384 2.406 9.833 1.00 0.00 N ATOM 0 H GLN B 139 -9.755 4.445 5.464 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.045 5.261 5.935 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.473 4.678 8.184 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -8.958 5.373 7.566 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -9.788 2.979 7.183 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -8.379 2.430 8.069 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -10.314 1.493 9.383 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -10.886 2.502 10.716 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.499 2.032 5.413 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.775 0.777 5.175 1.00 0.00 C ATOM 1461 C LEU B 140 -5.896 0.825 3.911 1.00 0.00 C ATOM 1462 O LEU B 140 -4.763 0.349 3.923 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.799 -0.378 5.135 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.193 -1.792 5.040 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.330 -2.141 6.256 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.319 -2.821 4.959 1.00 0.00 C ATOM 0 H LEU B 140 -8.504 1.963 5.251 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.075 0.612 5.994 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.417 -0.325 6.031 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.460 -0.226 4.282 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.564 -1.810 4.150 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -5.927 -3.147 6.139 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.509 -1.428 6.336 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -6.939 -2.096 7.159 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.893 -3.822 4.892 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -8.941 -2.751 5.851 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -8.928 -2.626 4.076 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.390 1.443 2.836 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.643 1.614 1.586 1.00 0.00 C ATOM 1480 C LEU B 141 -4.534 2.683 1.716 1.00 0.00 C ATOM 1481 O LEU B 141 -3.434 2.503 1.181 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.664 1.903 0.462 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.123 1.885 -0.971 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.511 0.533 -1.355 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.273 2.152 -1.946 1.00 0.00 C ATOM 0 H LEU B 141 -7.328 1.843 2.807 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.101 0.702 1.335 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.467 1.169 0.533 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.108 2.881 0.647 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.348 2.650 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.144 0.578 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.684 0.304 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.270 -0.246 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.894 2.140 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.033 1.379 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.712 3.127 -1.733 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.769 3.750 2.499 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.746 4.743 2.844 1.00 0.00 C ATOM 1499 C ALA B 142 -2.618 4.181 3.736 1.00 0.00 C ATOM 1500 O ALA B 142 -1.465 4.594 3.599 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.428 5.938 3.527 1.00 0.00 C ATOM 0 H ALA B 142 -5.681 3.946 2.911 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.262 5.053 1.917 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.678 6.684 3.789 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.156 6.379 2.846 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.934 5.600 4.431 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.913 3.214 4.613 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.934 2.532 5.472 1.00 0.00 C ATOM 1509 C LYS B 143 -0.843 1.829 4.652 1.00 0.00 C ATOM 1510 O LYS B 143 0.341 1.998 4.941 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.708 1.582 6.401 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.866 1.055 7.556 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.719 0.176 8.488 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.880 -0.443 9.612 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.741 -1.121 10.615 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.865 2.874 4.749 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.392 3.256 6.080 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.577 2.104 6.802 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.082 0.740 5.819 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -1.027 0.477 7.168 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.445 1.889 8.117 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.520 0.775 8.920 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -3.191 -0.617 7.908 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -1.175 -1.160 9.191 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.291 0.334 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -2.146 -1.530 11.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.397 -0.431 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -3.284 -1.878 10.152 1.00 0.00 H new ATOM 1529 N SER B 144 -1.222 1.133 3.578 1.00 0.00 N ATOM 1530 CA SER B 144 -0.266 0.550 2.623 1.00 0.00 C ATOM 1531 C SER B 144 0.523 1.610 1.842 1.00 0.00 C ATOM 1532 O SER B 144 1.739 1.496 1.717 1.00 0.00 O ATOM 1533 CB SER B 144 -0.974 -0.382 1.639 1.00 0.00 C ATOM 1534 OG SER B 144 -1.597 -1.443 2.332 1.00 0.00 O ATOM 0 H SER B 144 -2.198 0.956 3.342 1.00 0.00 H new ATOM 0 HA SER B 144 0.446 -0.018 3.222 1.00 0.00 H new ATOM 0 HB2 SER B 144 -1.717 0.176 1.070 1.00 0.00 H new ATOM 0 HB3 SER B 144 -0.255 -0.779 0.922 1.00 0.00 H new ATOM 0 HG SER B 144 -2.048 -2.032 1.692 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.132 2.678 1.365 1.00 0.00 N ATOM 1541 CA LEU B 145 0.524 3.778 0.641 1.00 0.00 C ATOM 1542 C LEU B 145 1.580 4.490 1.509 1.00 0.00 C ATOM 1543 O LEU B 145 2.683 4.791 1.039 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.592 4.701 0.098 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.199 5.950 -0.720 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.109 7.156 0.169 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.964 5.704 -1.688 1.00 0.00 C ATOM 0 H LEU B 145 -1.139 2.804 1.471 1.00 0.00 H new ATOM 0 HA LEU B 145 1.103 3.405 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.248 4.093 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.183 5.038 0.949 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.081 6.176 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.380 8.008 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.771 7.405 0.762 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.938 6.915 0.834 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.187 6.623 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.844 5.391 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.689 4.923 -2.397 1.00 0.00 H new ATOM 1559 N THR B 146 1.312 4.669 2.804 1.00 0.00 N ATOM 1560 CA THR B 146 2.279 5.206 3.777 1.00 0.00 C ATOM 1561 C THR B 146 3.525 4.315 3.889 1.00 0.00 C ATOM 1562 O THR B 146 4.650 4.811 3.829 1.00 0.00 O ATOM 1563 CB THR B 146 1.603 5.372 5.154 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.542 6.300 5.069 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.560 5.902 6.221 1.00 0.00 C ATOM 0 H THR B 146 0.407 4.444 3.217 1.00 0.00 H new ATOM 0 HA THR B 146 2.609 6.182 3.421 1.00 0.00 H new ATOM 0 HB THR B 146 1.256 4.378 5.436 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.215 5.890 4.601 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.031 5.999 7.169 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.393 5.209 6.340 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.940 6.877 5.917 1.00 0.00 H new ATOM 1573 N GLU B 147 3.346 2.994 3.967 1.00 0.00 N ATOM 1574 CA GLU B 147 4.452 2.026 4.030 1.00 0.00 C ATOM 1575 C GLU B 147 5.258 1.956 2.714 1.00 0.00 C ATOM 1576 O GLU B 147 6.483 1.825 2.753 1.00 0.00 O ATOM 1577 CB GLU B 147 3.886 0.655 4.439 1.00 0.00 C ATOM 1578 CG GLU B 147 4.934 -0.437 4.722 1.00 0.00 C ATOM 1579 CD GLU B 147 5.781 -0.215 5.996 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.685 -1.043 6.263 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.556 0.757 6.760 1.00 0.00 O1- ATOM 0 H GLU B 147 2.423 2.559 3.989 1.00 0.00 H new ATOM 0 HA GLU B 147 5.167 2.359 4.782 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.273 0.786 5.331 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.225 0.303 3.647 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.423 -1.396 4.806 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.605 -0.507 3.866 1.00 0.00 H new ATOM 1588 N ILE B 148 4.614 2.129 1.552 1.00 0.00 N ATOM 1589 CA ILE B 148 5.281 2.243 0.242 1.00 0.00 C ATOM 1590 C ILE B 148 6.217 3.460 0.213 1.00 0.00 C ATOM 1591 O ILE B 148 7.400 3.326 -0.114 1.00 0.00 O ATOM 1592 CB ILE B 148 4.238 2.294 -0.909 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.534 0.930 -1.067 1.00 0.00 C ATOM 1594 CG2 ILE B 148 4.879 2.678 -2.251 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.295 0.991 -1.966 1.00 0.00 C ATOM 0 H ILE B 148 3.598 2.195 1.492 1.00 0.00 H new ATOM 0 HA ILE B 148 5.892 1.354 0.089 1.00 0.00 H new ATOM 0 HB ILE B 148 3.512 3.060 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.240 0.210 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.243 0.562 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.113 2.701 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.339 3.662 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.640 1.943 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.847 -0.000 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.572 1.687 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.584 1.329 -2.961 1.00 0.00 H new ATOM 1607 N LYS B 149 5.711 4.642 0.593 1.00 0.00 N ATOM 1608 CA LYS B 149 6.493 5.894 0.649 1.00 0.00 C ATOM 1609 C LYS B 149 7.672 5.803 1.623 1.00 0.00 C ATOM 1610 O LYS B 149 8.784 6.199 1.275 1.00 0.00 O ATOM 1611 CB LYS B 149 5.572 7.065 1.026 1.00 0.00 C ATOM 1612 CG LYS B 149 4.671 7.491 -0.140 1.00 0.00 C ATOM 1613 CD LYS B 149 3.745 8.635 0.298 1.00 0.00 C ATOM 1614 CE LYS B 149 2.850 9.123 -0.846 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.596 9.926 -1.848 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.738 4.761 0.874 1.00 0.00 H new ATOM 0 HA LYS B 149 6.915 6.064 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.953 6.779 1.876 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.178 7.914 1.344 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.282 7.811 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.077 6.642 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.122 8.299 1.127 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.346 9.466 0.667 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.395 8.264 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.037 9.723 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.923 10.453 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.224 10.595 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.164 9.293 -2.447 1.00 0.00 H new ATOM 1629 N ARG B 150 7.452 5.217 2.809 1.00 0.00 N ATOM 1630 CA ARG B 150 8.480 4.934 3.828 1.00 0.00 C ATOM 1631 C ARG B 150 9.627 4.089 3.257 1.00 0.00 C ATOM 1632 O ARG B 150 10.788 4.463 3.394 1.00 0.00 O ATOM 1633 CB ARG B 150 7.781 4.222 4.999 1.00 0.00 C ATOM 1634 CG ARG B 150 8.673 3.890 6.204 1.00 0.00 C ATOM 1635 CD ARG B 150 7.889 2.955 7.127 1.00 0.00 C ATOM 1636 NE ARG B 150 8.628 2.610 8.354 1.00 0.00 N ATOM 1637 CZ ARG B 150 8.290 1.660 9.209 1.00 0.00 C ATOM 1638 NH1 ARG B 150 7.263 0.871 9.015 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 8.989 1.475 10.291 1.00 0.00 N ATOM 0 H ARG B 150 6.521 4.915 3.098 1.00 0.00 H new ATOM 0 HA ARG B 150 8.937 5.863 4.169 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.957 4.848 5.342 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.344 3.295 4.628 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.597 3.415 5.875 1.00 0.00 H new ATOM 0 HG3 ARG B 150 8.954 4.801 6.733 1.00 0.00 H new ATOM 0 HD2 ARG B 150 6.945 3.428 7.398 1.00 0.00 H new ATOM 0 HD3 ARG B 150 7.644 2.040 6.587 1.00 0.00 H new ATOM 0 HE ARG B 150 9.469 3.148 8.561 1.00 0.00 H new ATOM 0 HH11 ARG B 150 6.689 0.977 8.178 1.00 0.00 H new ATOM 0 HH12 ARG B 150 7.037 0.150 9.700 1.00 0.00 H new ATOM 0 HH21 ARG B 150 9.800 2.064 10.481 1.00 0.00 H new ATOM 0 HH22 ARG B 150 8.726 0.741 10.949 1.00 0.00 H new ATOM 1653 N LEU B 151 9.307 2.988 2.571 1.00 0.00 N ATOM 1654 CA LEU B 151 10.297 2.097 1.949 1.00 0.00 C ATOM 1655 C LEU B 151 11.076 2.782 0.815 1.00 0.00 C ATOM 1656 O LEU B 151 12.302 2.681 0.787 1.00 0.00 O ATOM 1657 CB LEU B 151 9.599 0.822 1.431 1.00 0.00 C ATOM 1658 CG LEU B 151 9.780 -0.435 2.302 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.238 -0.903 2.326 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.288 -0.242 3.736 1.00 0.00 C ATOM 0 H LEU B 151 8.343 2.685 2.429 1.00 0.00 H new ATOM 0 HA LEU B 151 11.026 1.831 2.715 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.532 1.026 1.336 1.00 0.00 H new ATOM 0 HB3 LEU B 151 9.973 0.606 0.430 1.00 0.00 H new ATOM 0 HG LEU B 151 9.163 -1.202 1.834 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.325 -1.792 2.951 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.561 -1.139 1.312 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.868 -0.111 2.732 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.442 -1.162 4.300 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.844 0.569 4.205 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.226 0.004 3.726 1.00 0.00 H new ATOM 1672 N LYS B 152 10.394 3.485 -0.098 1.00 0.00 N ATOM 1673 CA LYS B 152 11.024 4.188 -1.234 1.00 0.00 C ATOM 1674 C LYS B 152 11.965 5.305 -0.770 1.00 0.00 C ATOM 1675 O LYS B 152 13.071 5.429 -1.299 1.00 0.00 O ATOM 1676 CB LYS B 152 9.941 4.723 -2.187 1.00 0.00 C ATOM 1677 CG LYS B 152 9.289 3.589 -2.995 1.00 0.00 C ATOM 1678 CD LYS B 152 8.067 4.088 -3.775 1.00 0.00 C ATOM 1679 CE LYS B 152 7.346 2.915 -4.455 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.828 2.645 -5.829 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.379 3.586 -0.073 1.00 0.00 H new ATOM 0 HA LYS B 152 11.641 3.470 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.177 5.248 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.382 5.450 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.018 3.169 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.989 2.786 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.382 4.601 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS B 152 8.379 4.815 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS B 152 7.476 2.018 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS B 152 6.277 3.125 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.614 1.660 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.353 3.286 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.856 2.799 -5.873 1.00 0.00 H new ATOM 1694 N ALA B 153 11.583 6.068 0.256 1.00 0.00 N ATOM 1695 CA ALA B 153 12.432 7.084 0.880 1.00 0.00 C ATOM 1696 C ALA B 153 13.675 6.474 1.556 1.00 0.00 C ATOM 1697 O ALA B 153 14.793 6.951 1.339 1.00 0.00 O ATOM 1698 CB ALA B 153 11.585 7.895 1.866 1.00 0.00 C ATOM 0 H ALA B 153 10.660 5.996 0.683 1.00 0.00 H new ATOM 0 HA ALA B 153 12.817 7.746 0.105 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.206 8.656 2.338 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.765 8.375 1.332 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.181 7.231 2.630 1.00 0.00 H new ATOM 1704 N ALA B 154 13.509 5.392 2.333 1.00 0.00 N ATOM 1705 CA ALA B 154 14.612 4.703 3.001 1.00 0.00 C ATOM 1706 C ALA B 154 15.613 4.099 2.004 1.00 0.00 C ATOM 1707 O ALA B 154 16.824 4.282 2.167 1.00 0.00 O ATOM 1708 CB ALA B 154 14.022 3.637 3.931 1.00 0.00 C ATOM 0 H ALA B 154 12.597 4.972 2.513 1.00 0.00 H new ATOM 0 HA ALA B 154 15.183 5.425 3.585 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.830 3.111 4.440 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.378 4.115 4.670 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.438 2.927 3.346 1.00 0.00 H new ATOM 1714 N ASN B 155 15.131 3.431 0.949 1.00 0.00 N ATOM 1715 CA ASN B 155 15.960 2.815 -0.088 1.00 0.00 C ATOM 1716 C ASN B 155 16.779 3.872 -0.856 1.00 0.00 C ATOM 1717 O ASN B 155 17.983 3.707 -1.053 1.00 0.00 O ATOM 1718 CB ASN B 155 15.027 1.983 -0.999 1.00 0.00 C ATOM 1719 CG ASN B 155 15.744 0.998 -1.914 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.832 1.238 -2.417 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.160 -0.153 -2.158 1.00 0.00 N ATOM 0 H ASN B 155 14.132 3.302 0.791 1.00 0.00 H new ATOM 0 HA ASN B 155 16.704 2.152 0.353 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.326 1.432 -0.372 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.438 2.665 -1.612 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.614 -0.837 -2.763 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.252 -0.362 -1.743 1.00 0.00 H new ATOM 1728 N GLN B 156 16.163 5.009 -1.212 1.00 0.00 N ATOM 1729 CA GLN B 156 16.832 6.124 -1.900 1.00 0.00 C ATOM 1730 C GLN B 156 17.945 6.777 -1.059 1.00 0.00 C ATOM 1731 O GLN B 156 18.966 7.197 -1.608 1.00 0.00 O ATOM 1732 CB GLN B 156 15.753 7.142 -2.319 1.00 0.00 C ATOM 1733 CG GLN B 156 16.310 8.351 -3.096 1.00 0.00 C ATOM 1734 CD GLN B 156 15.247 9.275 -3.706 1.00 0.00 C ATOM 1735 OE1 GLN B 156 15.563 10.204 -4.444 1.00 0.00 O ATOM 1736 NE2 GLN B 156 13.970 9.085 -3.454 1.00 0.00 N ATOM 0 H GLN B 156 15.175 5.182 -1.028 1.00 0.00 H new ATOM 0 HA GLN B 156 17.345 5.737 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.009 6.637 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.238 7.500 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.938 8.937 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.954 7.985 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN B 156 13.679 8.321 -2.844 1.00 0.00 H new ATOM 0 HE22 GLN B 156 13.271 9.702 -3.868 1.00 0.00 H new