USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 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 44 SER OG : rot -77:sc= 0.741 USER MOD Set 1.2: B 144 SER OG : rot 160:sc= 0.666 USER MOD Single : A 15 SER OG : rot 84:sc= 0.853 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 22 MET CE :methyl -168:sc= -0.283 (180deg=-0.544) USER MOD Single : A 34 MET CE :methyl -172:sc=-0.00963 (180deg=-0.162) USER MOD Single : A 35 GLN : amide:sc= 0.484 K(o=0.48,f=-3.8!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.84 K(o=0.84,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 70:sc= 0.65 USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.18) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 1.66 (180deg=1.31) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : B 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 180:sc= 0.185 USER MOD Single : B 134 MET CE :methyl -172:sc= -0.0623 (180deg=-0.177) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 139 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 71:sc= 0.415 USER MOD Single : B 149 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.13) USER MOD Single : B 152 LYS NZ :NH3+ 160:sc= 2.09 (180deg=1.46) USER MOD Single : B 155 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.461 12.712 -0.177 1.00 0.00 N ATOM 115 CA PRO A 10 -10.477 11.823 -0.744 1.00 0.00 C ATOM 116 C PRO A 10 -9.888 10.529 -1.332 1.00 0.00 C ATOM 117 O PRO A 10 -8.685 10.420 -1.580 1.00 0.00 O ATOM 118 CB PRO A 10 -11.197 12.665 -1.802 1.00 0.00 C ATOM 119 CG PRO A 10 -10.101 13.608 -2.299 1.00 0.00 C ATOM 120 CD PRO A 10 -9.316 13.900 -1.016 1.00 0.00 C ATOM 0 HA PRO A 10 -11.160 11.468 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.593 12.047 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.038 13.213 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.477 13.141 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.514 14.516 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.267 14.096 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.707 14.784 -0.512 1.00 0.00 H new ATOM 128 N ILE A 11 -10.742 9.531 -1.566 1.00 0.00 N ATOM 129 CA ILE A 11 -10.320 8.191 -2.000 1.00 0.00 C ATOM 130 C ILE A 11 -9.621 8.157 -3.369 1.00 0.00 C ATOM 131 O ILE A 11 -8.681 7.386 -3.564 1.00 0.00 O ATOM 132 CB ILE A 11 -11.507 7.209 -1.933 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.984 5.767 -2.102 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.615 7.525 -2.959 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.979 4.708 -1.643 1.00 0.00 C ATOM 0 H ILE A 11 -11.752 9.627 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.552 7.869 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.974 7.320 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.740 5.597 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.058 5.655 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.421 6.798 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.005 8.526 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.203 7.475 -3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.549 3.717 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.204 4.854 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.897 4.795 -2.225 1.00 0.00 H new ATOM 147 N ASP A 12 -10.014 9.018 -4.312 1.00 0.00 N ATOM 148 CA ASP A 12 -9.369 9.109 -5.625 1.00 0.00 C ATOM 149 C ASP A 12 -7.949 9.706 -5.550 1.00 0.00 C ATOM 150 O ASP A 12 -7.113 9.402 -6.404 1.00 0.00 O ATOM 151 CB ASP A 12 -10.239 9.909 -6.610 1.00 0.00 C ATOM 152 CG ASP A 12 -10.511 11.356 -6.168 1.00 0.00 C ATOM 153 OD1 ASP A 12 -11.226 11.564 -5.158 1.00 0.00 O ATOM 154 OD2 ASP A 12 -10.043 12.293 -6.857 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.788 9.671 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.267 8.088 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.749 9.923 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.191 9.394 -6.740 1.00 0.00 H new ATOM 159 N GLU A 13 -7.642 10.509 -4.526 1.00 0.00 N ATOM 160 CA GLU A 13 -6.298 11.058 -4.309 1.00 0.00 C ATOM 161 C GLU A 13 -5.328 9.980 -3.801 1.00 0.00 C ATOM 162 O GLU A 13 -4.285 9.764 -4.420 1.00 0.00 O ATOM 163 CB GLU A 13 -6.384 12.263 -3.354 1.00 0.00 C ATOM 164 CG GLU A 13 -5.055 12.967 -3.043 1.00 0.00 C ATOM 165 CD GLU A 13 -4.513 13.863 -4.178 1.00 0.00 C ATOM 166 OE1 GLU A 13 -3.612 14.691 -3.903 1.00 0.00 O ATOM 167 OE2 GLU A 13 -4.982 13.779 -5.338 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.321 10.798 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.895 11.405 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.069 12.994 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.824 11.927 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.184 13.577 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.306 12.211 -2.808 1.00 0.00 H new ATOM 174 N LEU A 14 -5.670 9.222 -2.747 1.00 0.00 N ATOM 175 CA LEU A 14 -4.817 8.121 -2.271 1.00 0.00 C ATOM 176 C LEU A 14 -4.684 6.980 -3.301 1.00 0.00 C ATOM 177 O LEU A 14 -3.603 6.398 -3.441 1.00 0.00 O ATOM 178 CB LEU A 14 -5.247 7.645 -0.865 1.00 0.00 C ATOM 179 CG LEU A 14 -6.673 7.089 -0.726 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.733 5.574 -0.918 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.235 7.377 0.662 1.00 0.00 C ATOM 0 H LEU A 14 -6.528 9.350 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.806 8.514 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.549 6.874 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.141 8.483 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.256 7.583 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.763 5.234 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.370 5.319 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.109 5.087 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.245 6.974 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.601 6.909 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.261 8.454 0.828 1.00 0.00 H new ATOM 193 N SER A 15 -5.732 6.720 -4.090 1.00 0.00 N ATOM 194 CA SER A 15 -5.694 5.751 -5.201 1.00 0.00 C ATOM 195 C SER A 15 -4.817 6.206 -6.375 1.00 0.00 C ATOM 196 O SER A 15 -4.210 5.368 -7.043 1.00 0.00 O ATOM 197 CB SER A 15 -7.104 5.445 -5.717 1.00 0.00 C ATOM 198 OG SER A 15 -7.920 4.905 -4.691 1.00 0.00 O ATOM 0 H SER A 15 -6.637 7.176 -3.979 1.00 0.00 H new ATOM 0 HA SER A 15 -5.246 4.849 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.558 6.357 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.045 4.741 -6.547 1.00 0.00 H new ATOM 0 HG SER A 15 -8.299 5.634 -4.156 1.00 0.00 H new ATOM 204 N ALA A 16 -4.691 7.518 -6.621 1.00 0.00 N ATOM 205 CA ALA A 16 -3.697 8.059 -7.551 1.00 0.00 C ATOM 206 C ALA A 16 -2.278 7.978 -6.969 1.00 0.00 C ATOM 207 O ALA A 16 -1.364 7.538 -7.663 1.00 0.00 O ATOM 208 CB ALA A 16 -4.053 9.500 -7.915 1.00 0.00 C ATOM 0 H ALA A 16 -5.275 8.230 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.711 7.451 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.309 9.895 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.036 9.524 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.069 10.110 -7.012 1.00 0.00 H new ATOM 214 N LEU A 17 -2.089 8.351 -5.703 1.00 0.00 N ATOM 215 CA LEU A 17 -0.780 8.368 -5.045 1.00 0.00 C ATOM 216 C LEU A 17 -0.120 6.983 -5.006 1.00 0.00 C ATOM 217 O LEU A 17 1.064 6.882 -5.330 1.00 0.00 O ATOM 218 CB LEU A 17 -0.906 8.998 -3.641 1.00 0.00 C ATOM 219 CG LEU A 17 -0.518 10.489 -3.586 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.339 11.394 -4.500 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.685 11.009 -2.159 1.00 0.00 C ATOM 0 H LEU A 17 -2.851 8.654 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.111 8.989 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.934 8.888 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.275 8.443 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 17 0.516 10.528 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.997 12.424 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.216 11.074 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.392 11.332 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.410 12.063 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.723 10.893 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.040 10.442 -1.487 1.00 0.00 H new ATOM 233 N LEU A 18 -0.859 5.905 -4.698 1.00 0.00 N ATOM 234 CA LEU A 18 -0.274 4.552 -4.729 1.00 0.00 C ATOM 235 C LEU A 18 0.168 4.129 -6.139 1.00 0.00 C ATOM 236 O LEU A 18 1.254 3.574 -6.293 1.00 0.00 O ATOM 237 CB LEU A 18 -1.186 3.537 -4.006 1.00 0.00 C ATOM 238 CG LEU A 18 -2.548 3.220 -4.654 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.517 2.053 -5.647 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.549 2.824 -3.570 1.00 0.00 C ATOM 0 H LEU A 18 -1.843 5.939 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 18 0.656 4.572 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.635 2.602 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.371 3.909 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.825 4.127 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.515 1.897 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.824 2.283 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.189 1.148 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.512 2.600 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.184 1.943 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.666 3.647 -2.864 1.00 0.00 H new ATOM 252 N ARG A 19 -0.596 4.477 -7.186 1.00 0.00 N ATOM 253 CA ARG A 19 -0.210 4.223 -8.592 1.00 0.00 C ATOM 254 C ARG A 19 0.976 5.075 -9.045 1.00 0.00 C ATOM 255 O ARG A 19 1.876 4.556 -9.699 1.00 0.00 O ATOM 256 CB ARG A 19 -1.428 4.452 -9.498 1.00 0.00 C ATOM 257 CG ARG A 19 -2.459 3.317 -9.360 1.00 0.00 C ATOM 258 CD ARG A 19 -3.559 3.548 -10.390 1.00 0.00 C ATOM 259 NE ARG A 19 -4.667 2.582 -10.293 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.726 2.564 -11.084 1.00 0.00 C ATOM 261 NH1 ARG A 19 -5.873 3.418 -12.057 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -6.658 1.673 -10.916 1.00 0.00 N ATOM 0 H ARG A 19 -1.498 4.942 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 19 0.119 3.186 -8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.897 5.403 -9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.102 4.524 -10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.984 2.349 -9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.877 3.303 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.955 4.556 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.127 3.494 -11.389 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.613 1.874 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.159 4.127 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.702 3.378 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.575 0.982 -10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.472 1.665 -11.530 1.00 0.00 H new ATOM 276 N GLN A 20 1.028 6.344 -8.644 1.00 0.00 N ATOM 277 CA GLN A 20 2.153 7.249 -8.898 1.00 0.00 C ATOM 278 C GLN A 20 3.457 6.748 -8.246 1.00 0.00 C ATOM 279 O GLN A 20 4.513 6.796 -8.881 1.00 0.00 O ATOM 280 CB GLN A 20 1.799 8.653 -8.373 1.00 0.00 C ATOM 281 CG GLN A 20 0.807 9.400 -9.280 1.00 0.00 C ATOM 282 CD GLN A 20 0.227 10.647 -8.606 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.687 11.115 -7.570 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.793 11.253 -9.175 1.00 0.00 N ATOM 0 H GLN A 20 0.271 6.784 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 20 2.327 7.284 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.374 8.565 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.712 9.241 -8.280 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.309 9.689 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.006 8.728 -9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.191 10.881 -10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.186 12.095 -8.754 1.00 0.00 H new ATOM 293 N GLU A 21 3.394 6.205 -7.028 1.00 0.00 N ATOM 294 CA GLU A 21 4.551 5.580 -6.366 1.00 0.00 C ATOM 295 C GLU A 21 4.996 4.273 -7.044 1.00 0.00 C ATOM 296 O GLU A 21 6.198 4.031 -7.165 1.00 0.00 O ATOM 297 CB GLU A 21 4.256 5.337 -4.875 1.00 0.00 C ATOM 298 CG GLU A 21 4.149 6.603 -4.005 1.00 0.00 C ATOM 299 CD GLU A 21 5.439 7.440 -3.891 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.352 8.575 -3.357 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.537 6.995 -4.306 1.00 0.00 O1- ATOM 0 H GLU A 21 2.541 6.184 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 21 5.380 6.282 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.322 4.781 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.042 4.702 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.360 7.236 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.837 6.309 -3.003 1.00 0.00 H new ATOM 308 N MET A 22 4.064 3.446 -7.541 1.00 0.00 N ATOM 309 CA MET A 22 4.365 2.239 -8.340 1.00 0.00 C ATOM 310 C MET A 22 5.040 2.548 -9.694 1.00 0.00 C ATOM 311 O MET A 22 5.717 1.678 -10.250 1.00 0.00 O ATOM 312 CB MET A 22 3.075 1.450 -8.619 1.00 0.00 C ATOM 313 CG MET A 22 2.462 0.824 -7.365 1.00 0.00 C ATOM 314 SD MET A 22 0.710 0.410 -7.565 1.00 0.00 S ATOM 315 CE MET A 22 0.338 0.040 -5.836 1.00 0.00 C ATOM 0 H MET A 22 3.065 3.595 -7.400 1.00 0.00 H new ATOM 0 HA MET A 22 5.065 1.657 -7.741 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.344 2.115 -9.079 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.289 0.663 -9.342 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.016 -0.079 -7.108 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.573 1.515 -6.529 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.637 -0.442 -5.769 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.101 -0.627 -5.434 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.326 0.966 -5.260 1.00 0.00 H new ATOM 325 N GLY A 23 4.849 3.762 -10.221 1.00 0.00 N ATOM 326 CA GLY A 23 5.264 4.179 -11.571 1.00 0.00 C ATOM 327 C GLY A 23 4.189 3.982 -12.653 1.00 0.00 C ATOM 328 O GLY A 23 4.493 4.058 -13.846 1.00 0.00 O ATOM 0 H GLY A 23 4.386 4.509 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.546 5.232 -11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.155 3.618 -11.854 1.00 0.00 H new ATOM 420 N MET A 34 -16.552 -4.748 -3.648 1.00 0.00 N ATOM 421 CA MET A 34 -15.529 -5.649 -3.082 1.00 0.00 C ATOM 422 C MET A 34 -14.398 -5.978 -4.077 1.00 0.00 C ATOM 423 O MET A 34 -13.229 -6.040 -3.699 1.00 0.00 O ATOM 424 CB MET A 34 -16.218 -6.937 -2.589 1.00 0.00 C ATOM 425 CG MET A 34 -15.296 -7.856 -1.771 1.00 0.00 C ATOM 426 SD MET A 34 -15.490 -7.800 0.032 1.00 0.00 S ATOM 427 CE MET A 34 -14.914 -6.122 0.409 1.00 0.00 C ATOM 0 HA MET A 34 -15.051 -5.134 -2.249 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.081 -6.667 -1.980 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.596 -7.489 -3.450 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.458 -8.882 -2.100 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.263 -7.604 -2.011 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.842 -5.996 1.489 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.934 -5.964 -0.040 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.619 -5.396 0.005 1.00 0.00 H new ATOM 437 N GLN A 35 -14.724 -6.110 -5.368 1.00 0.00 N ATOM 438 CA GLN A 35 -13.755 -6.366 -6.439 1.00 0.00 C ATOM 439 C GLN A 35 -12.800 -5.187 -6.685 1.00 0.00 C ATOM 440 O GLN A 35 -11.647 -5.407 -7.066 1.00 0.00 O ATOM 441 CB GLN A 35 -14.506 -6.714 -7.740 1.00 0.00 C ATOM 442 CG GLN A 35 -15.396 -7.963 -7.606 1.00 0.00 C ATOM 443 CD GLN A 35 -16.827 -7.695 -7.120 1.00 0.00 C ATOM 444 OE1 GLN A 35 -17.208 -6.612 -6.692 1.00 0.00 O ATOM 445 NE2 GLN A 35 -17.694 -8.686 -7.163 1.00 0.00 N ATOM 0 H GLN A 35 -15.685 -6.041 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.138 -7.205 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.123 -5.865 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.782 -6.875 -8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.445 -8.460 -8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.918 -8.658 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.407 -9.600 -7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.652 -8.540 -6.845 1.00 0.00 H new ATOM 454 N ASP A 36 -13.233 -3.944 -6.455 1.00 0.00 N ATOM 455 CA ASP A 36 -12.390 -2.748 -6.605 1.00 0.00 C ATOM 456 C ASP A 36 -11.334 -2.674 -5.489 1.00 0.00 C ATOM 457 O ASP A 36 -10.160 -2.406 -5.747 1.00 0.00 O ATOM 458 CB ASP A 36 -13.252 -1.467 -6.602 1.00 0.00 C ATOM 459 CG ASP A 36 -14.427 -1.475 -7.597 1.00 0.00 C ATOM 460 OD1 ASP A 36 -14.315 -2.051 -8.706 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.470 -0.859 -7.263 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.186 -3.735 -6.157 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.876 -2.823 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.646 -1.314 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.611 -0.614 -6.826 1.00 0.00 H new ATOM 466 N ILE A 37 -11.745 -2.958 -4.247 1.00 0.00 N ATOM 467 CA ILE A 37 -10.863 -2.924 -3.072 1.00 0.00 C ATOM 468 C ILE A 37 -9.928 -4.141 -3.026 1.00 0.00 C ATOM 469 O ILE A 37 -8.754 -3.971 -2.710 1.00 0.00 O ATOM 470 CB ILE A 37 -11.670 -2.717 -1.772 1.00 0.00 C ATOM 471 CG1 ILE A 37 -10.736 -2.586 -0.547 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.766 -3.769 -1.570 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.457 -2.402 0.795 1.00 0.00 C ATOM 0 H ILE A 37 -12.706 -3.220 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.209 -2.057 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.200 -1.770 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.110 -3.476 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.070 -1.738 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.296 -3.568 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.467 -3.728 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.315 -4.760 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.721 -2.319 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.061 -1.495 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.102 -3.261 0.982 1.00 0.00 H new ATOM 485 N GLN A 38 -10.384 -5.346 -3.409 1.00 0.00 N ATOM 486 CA GLN A 38 -9.505 -6.519 -3.515 1.00 0.00 C ATOM 487 C GLN A 38 -8.344 -6.287 -4.505 1.00 0.00 C ATOM 488 O GLN A 38 -7.224 -6.722 -4.239 1.00 0.00 O ATOM 489 CB GLN A 38 -10.293 -7.772 -3.936 1.00 0.00 C ATOM 490 CG GLN A 38 -11.115 -8.396 -2.800 1.00 0.00 C ATOM 491 CD GLN A 38 -11.915 -9.599 -3.300 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.045 -9.484 -3.762 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.372 -10.799 -3.268 1.00 0.00 N ATOM 0 H GLN A 38 -11.358 -5.531 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.084 -6.677 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.962 -7.511 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.596 -8.517 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.451 -8.706 -1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.793 -7.651 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.433 -10.924 -2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.890 -11.603 -3.622 1.00 0.00 H new ATOM 502 N GLN A 39 -8.573 -5.571 -5.614 1.00 0.00 N ATOM 503 CA GLN A 39 -7.513 -5.188 -6.552 1.00 0.00 C ATOM 504 C GLN A 39 -6.559 -4.134 -5.966 1.00 0.00 C ATOM 505 O GLN A 39 -5.358 -4.386 -5.861 1.00 0.00 O ATOM 506 CB GLN A 39 -8.115 -4.720 -7.885 1.00 0.00 C ATOM 507 CG GLN A 39 -8.701 -5.882 -8.701 1.00 0.00 C ATOM 508 CD GLN A 39 -9.455 -5.374 -9.926 1.00 0.00 C ATOM 509 OE1 GLN A 39 -8.930 -5.276 -11.027 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.711 -5.015 -9.779 1.00 0.00 N ATOM 0 H GLN A 39 -9.500 -5.242 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.910 -6.077 -6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.897 -3.986 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.346 -4.218 -8.472 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.899 -6.549 -9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.374 -6.467 -8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.160 -5.092 -8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.237 -4.660 -10.578 1.00 0.00 H new ATOM 519 N LEU A 40 -7.066 -2.966 -5.552 1.00 0.00 N ATOM 520 CA LEU A 40 -6.229 -1.844 -5.090 1.00 0.00 C ATOM 521 C LEU A 40 -5.430 -2.176 -3.819 1.00 0.00 C ATOM 522 O LEU A 40 -4.240 -1.860 -3.729 1.00 0.00 O ATOM 523 CB LEU A 40 -7.117 -0.612 -4.841 1.00 0.00 C ATOM 524 CG LEU A 40 -7.723 0.016 -6.106 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.781 1.044 -5.708 1.00 0.00 C ATOM 526 CD2 LEU A 40 -6.669 0.726 -6.963 1.00 0.00 C ATOM 0 H LEU A 40 -8.066 -2.769 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.502 -1.639 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.928 -0.896 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.527 0.145 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.157 -0.795 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.211 1.490 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.567 0.553 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.321 1.823 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.145 1.154 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.202 1.521 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.909 0.009 -7.273 1.00 0.00 H new ATOM 538 N LEU A 41 -6.068 -2.836 -2.850 1.00 0.00 N ATOM 539 CA LEU A 41 -5.468 -3.166 -1.553 1.00 0.00 C ATOM 540 C LEU A 41 -4.485 -4.358 -1.639 1.00 0.00 C ATOM 541 O LEU A 41 -3.552 -4.442 -0.837 1.00 0.00 O ATOM 542 CB LEU A 41 -6.618 -3.347 -0.542 1.00 0.00 C ATOM 543 CG LEU A 41 -6.208 -3.312 0.942 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.591 -1.968 1.338 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.444 -3.512 1.825 1.00 0.00 C ATOM 0 H LEU A 41 -7.030 -3.161 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.831 -2.353 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.357 -2.565 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.109 -4.299 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.474 -4.106 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.317 -1.990 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.701 -1.785 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.315 -1.171 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.150 -3.487 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.163 -2.716 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.900 -4.476 1.599 1.00 0.00 H new ATOM 557 N ALA A 42 -4.621 -5.237 -2.642 1.00 0.00 N ATOM 558 CA ALA A 42 -3.584 -6.222 -2.999 1.00 0.00 C ATOM 559 C ALA A 42 -2.420 -5.601 -3.795 1.00 0.00 C ATOM 560 O ALA A 42 -1.266 -5.965 -3.570 1.00 0.00 O ATOM 561 CB ALA A 42 -4.217 -7.372 -3.789 1.00 0.00 C ATOM 0 H ALA A 42 -5.453 -5.287 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.159 -6.599 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.449 -8.099 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.980 -7.855 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.673 -6.981 -4.699 1.00 0.00 H new ATOM 567 N LYS A 43 -2.686 -4.650 -4.705 1.00 0.00 N ATOM 568 CA LYS A 43 -1.657 -3.984 -5.518 1.00 0.00 C ATOM 569 C LYS A 43 -0.702 -3.143 -4.663 1.00 0.00 C ATOM 570 O LYS A 43 0.517 -3.256 -4.815 1.00 0.00 O ATOM 571 CB LYS A 43 -2.356 -3.160 -6.615 1.00 0.00 C ATOM 572 CG LYS A 43 -1.386 -2.821 -7.753 1.00 0.00 C ATOM 573 CD LYS A 43 -2.079 -1.973 -8.831 1.00 0.00 C ATOM 574 CE LYS A 43 -1.122 -1.674 -9.991 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.806 -0.934 -11.083 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.631 -4.319 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.025 -4.735 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.204 -3.720 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.754 -2.240 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.528 -2.280 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.005 -3.741 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.957 -2.500 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.430 -1.038 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.278 -1.089 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.717 -2.608 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.131 -0.748 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.596 -1.504 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.170 -0.032 -10.716 1.00 0.00 H new ATOM 589 N SER A 44 -1.226 -2.360 -3.715 1.00 0.00 N ATOM 590 CA SER A 44 -0.407 -1.639 -2.731 1.00 0.00 C ATOM 591 C SER A 44 0.402 -2.574 -1.812 1.00 0.00 C ATOM 592 O SER A 44 1.579 -2.314 -1.566 1.00 0.00 O ATOM 593 CB SER A 44 -1.278 -0.673 -1.920 1.00 0.00 C ATOM 594 OG SER A 44 -2.337 -1.349 -1.268 1.00 0.00 O ATOM 0 H SER A 44 -2.229 -2.207 -3.607 1.00 0.00 H new ATOM 0 HA SER A 44 0.331 -1.065 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.663 -0.161 -1.180 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.686 0.092 -2.581 1.00 0.00 H new ATOM 0 HG SER A 44 -3.044 -1.552 -1.916 1.00 0.00 H new ATOM 600 N LEU A 45 -0.153 -3.712 -1.378 1.00 0.00 N ATOM 601 CA LEU A 45 0.597 -4.759 -0.659 1.00 0.00 C ATOM 602 C LEU A 45 1.715 -5.368 -1.530 1.00 0.00 C ATOM 603 O LEU A 45 2.836 -5.550 -1.061 1.00 0.00 O ATOM 604 CB LEU A 45 -0.431 -5.783 -0.124 1.00 0.00 C ATOM 605 CG LEU A 45 0.072 -6.980 0.707 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.550 -8.152 -0.149 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.165 -6.609 1.710 1.00 0.00 C ATOM 0 H LEU A 45 -1.138 -3.937 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 45 1.137 -4.341 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.152 -5.238 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.975 -6.182 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.810 -7.297 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.890 -8.960 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.272 -8.507 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.373 -7.826 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.472 -7.499 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.023 -6.198 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.781 -5.865 2.408 1.00 0.00 H new ATOM 619 N THR A 46 1.454 -5.611 -2.817 1.00 0.00 N ATOM 620 CA THR A 46 2.448 -6.113 -3.784 1.00 0.00 C ATOM 621 C THR A 46 3.617 -5.133 -3.953 1.00 0.00 C ATOM 622 O THR A 46 4.771 -5.559 -4.039 1.00 0.00 O ATOM 623 CB THR A 46 1.790 -6.430 -5.140 1.00 0.00 C ATOM 624 OG1 THR A 46 0.819 -7.442 -4.976 1.00 0.00 O ATOM 625 CG2 THR A 46 2.773 -6.949 -6.191 1.00 0.00 C ATOM 0 H THR A 46 0.532 -5.464 -3.228 1.00 0.00 H new ATOM 0 HA THR A 46 2.855 -7.041 -3.382 1.00 0.00 H new ATOM 0 HB THR A 46 1.366 -5.486 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.056 -7.085 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.240 -7.151 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.543 -6.199 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.238 -7.867 -5.832 1.00 0.00 H new ATOM 633 N GLU A 47 3.361 -3.818 -3.929 1.00 0.00 N ATOM 634 CA GLU A 47 4.404 -2.785 -3.970 1.00 0.00 C ATOM 635 C GLU A 47 5.284 -2.761 -2.700 1.00 0.00 C ATOM 636 O GLU A 47 6.487 -2.532 -2.801 1.00 0.00 O ATOM 637 CB GLU A 47 3.738 -1.422 -4.248 1.00 0.00 C ATOM 638 CG GLU A 47 4.711 -0.263 -4.510 1.00 0.00 C ATOM 639 CD GLU A 47 5.531 -0.397 -5.803 1.00 0.00 C ATOM 640 OE1 GLU A 47 5.237 -1.236 -6.683 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.490 0.384 -5.978 1.00 0.00 O1- ATOM 0 H GLU A 47 2.416 -3.438 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 47 5.096 -3.022 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.080 -1.526 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.109 -1.162 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.145 0.668 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.397 -0.184 -3.667 1.00 0.00 H new ATOM 648 N ILE A 48 4.729 -3.069 -1.515 1.00 0.00 N ATOM 649 CA ILE A 48 5.518 -3.259 -0.280 1.00 0.00 C ATOM 650 C ILE A 48 6.456 -4.468 -0.428 1.00 0.00 C ATOM 651 O ILE A 48 7.657 -4.340 -0.175 1.00 0.00 O ATOM 652 CB ILE A 48 4.610 -3.385 0.976 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.795 -2.093 1.211 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.442 -3.701 2.237 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.664 -2.264 2.243 1.00 0.00 C ATOM 0 H ILE A 48 3.725 -3.193 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 48 6.129 -2.369 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 48 3.921 -4.209 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.468 -1.304 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.367 -1.765 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.780 -3.783 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.973 -4.643 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.162 -2.901 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.132 -1.320 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.970 -3.031 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.088 -2.563 3.202 1.00 0.00 H new ATOM 667 N LYS A 49 5.952 -5.618 -0.912 1.00 0.00 N ATOM 668 CA LYS A 49 6.764 -6.822 -1.225 1.00 0.00 C ATOM 669 C LYS A 49 7.901 -6.504 -2.207 1.00 0.00 C ATOM 670 O LYS A 49 9.050 -6.865 -1.945 1.00 0.00 O ATOM 671 CB LYS A 49 5.869 -7.944 -1.792 1.00 0.00 C ATOM 672 CG LYS A 49 5.390 -8.985 -0.770 1.00 0.00 C ATOM 673 CD LYS A 49 4.511 -8.427 0.361 1.00 0.00 C ATOM 674 CE LYS A 49 3.687 -9.539 1.027 1.00 0.00 C ATOM 675 NZ LYS A 49 4.534 -10.556 1.699 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.958 -5.745 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 49 7.216 -7.162 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.995 -7.488 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.418 -8.460 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.831 -9.759 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.262 -9.467 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.140 -7.941 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.842 -7.665 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.010 -9.096 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.068 -10.027 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.934 -11.326 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.220 -10.941 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.042 -10.115 2.492 1.00 0.00 H new ATOM 689 N ARG A 50 7.597 -5.794 -3.305 1.00 0.00 N ATOM 690 CA ARG A 50 8.543 -5.365 -4.353 1.00 0.00 C ATOM 691 C ARG A 50 9.710 -4.566 -3.770 1.00 0.00 C ATOM 692 O ARG A 50 10.869 -4.882 -4.038 1.00 0.00 O ATOM 693 CB ARG A 50 7.763 -4.544 -5.391 1.00 0.00 C ATOM 694 CG ARG A 50 8.574 -4.023 -6.599 1.00 0.00 C ATOM 695 CD ARG A 50 7.727 -2.967 -7.315 1.00 0.00 C ATOM 696 NE ARG A 50 8.359 -2.434 -8.540 1.00 0.00 N ATOM 697 CZ ARG A 50 7.899 -1.427 -9.263 1.00 0.00 C ATOM 698 NH1 ARG A 50 6.829 -0.759 -8.944 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 8.515 -1.059 -10.353 1.00 0.00 N ATOM 0 H ARG A 50 6.643 -5.489 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 50 8.984 -6.241 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.944 -5.157 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.315 -3.689 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.519 -3.593 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.817 -4.841 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.762 -3.402 -7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.532 -2.143 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 50 9.221 -2.880 -8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.306 -1.005 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.513 0.011 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.358 -1.549 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.154 -0.281 -10.905 1.00 0.00 H new ATOM 713 N LEU A 51 9.423 -3.559 -2.942 1.00 0.00 N ATOM 714 CA LEU A 51 10.445 -2.682 -2.358 1.00 0.00 C ATOM 715 C LEU A 51 11.242 -3.350 -1.228 1.00 0.00 C ATOM 716 O LEU A 51 12.455 -3.141 -1.153 1.00 0.00 O ATOM 717 CB LEU A 51 9.796 -1.370 -1.883 1.00 0.00 C ATOM 718 CG LEU A 51 9.731 -0.245 -2.936 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.119 0.348 -3.199 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.124 -0.683 -4.264 1.00 0.00 C ATOM 0 H LEU A 51 8.472 -3.327 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 51 11.171 -2.464 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.783 -1.587 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.349 -1.003 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 51 9.073 0.509 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.041 1.138 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.520 0.761 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.785 -0.433 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.111 0.161 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.721 -1.490 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.105 -1.033 -4.100 1.00 0.00 H new ATOM 732 N LYS A 52 10.615 -4.193 -0.393 1.00 0.00 N ATOM 733 CA LYS A 52 11.337 -4.999 0.611 1.00 0.00 C ATOM 734 C LYS A 52 12.314 -5.976 -0.049 1.00 0.00 C ATOM 735 O LYS A 52 13.455 -6.092 0.403 1.00 0.00 O ATOM 736 CB LYS A 52 10.350 -5.720 1.545 1.00 0.00 C ATOM 737 CG LYS A 52 9.688 -4.753 2.543 1.00 0.00 C ATOM 738 CD LYS A 52 8.808 -5.507 3.542 1.00 0.00 C ATOM 739 CE LYS A 52 8.192 -4.544 4.570 1.00 0.00 C ATOM 740 NZ LYS A 52 7.611 -5.281 5.717 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.605 -4.336 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 52 11.933 -4.320 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.579 -6.210 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.875 -6.503 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.457 -4.197 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.086 -4.023 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.015 -6.032 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.401 -6.263 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.956 -3.853 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.418 -3.944 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.820 -4.736 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.265 -6.207 5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.339 -5.418 6.447 1.00 0.00 H new ATOM 754 N ALA A 53 11.913 -6.619 -1.147 1.00 0.00 N ATOM 755 CA ALA A 53 12.791 -7.473 -1.952 1.00 0.00 C ATOM 756 C ALA A 53 13.945 -6.684 -2.605 1.00 0.00 C ATOM 757 O ALA A 53 15.094 -7.124 -2.548 1.00 0.00 O ATOM 758 CB ALA A 53 11.936 -8.210 -2.994 1.00 0.00 C ATOM 0 H ALA A 53 10.960 -6.562 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 53 13.273 -8.200 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.575 -8.850 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.189 -8.820 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.436 -7.483 -3.634 1.00 0.00 H new ATOM 764 N ALA A 54 13.676 -5.497 -3.168 1.00 0.00 N ATOM 765 CA ALA A 54 14.694 -4.638 -3.782 1.00 0.00 C ATOM 766 C ALA A 54 15.732 -4.125 -2.762 1.00 0.00 C ATOM 767 O ALA A 54 16.937 -4.143 -3.031 1.00 0.00 O ATOM 768 CB ALA A 54 13.992 -3.475 -4.495 1.00 0.00 C ATOM 0 H ALA A 54 12.736 -5.104 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 54 15.256 -5.231 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.738 -2.828 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.327 -3.868 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.412 -2.902 -3.772 1.00 0.00 H new ATOM 774 N ASN A 55 15.283 -3.711 -1.567 1.00 0.00 N ATOM 775 CA ASN A 55 16.145 -3.256 -0.470 1.00 0.00 C ATOM 776 C ASN A 55 17.029 -4.408 0.065 1.00 0.00 C ATOM 777 O ASN A 55 18.231 -4.245 0.265 1.00 0.00 O ATOM 778 CB ASN A 55 15.252 -2.637 0.619 1.00 0.00 C ATOM 779 CG ASN A 55 16.016 -1.730 1.574 1.00 0.00 C ATOM 780 OD1 ASN A 55 17.024 -2.095 2.158 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.556 -0.511 1.763 1.00 0.00 N ATOM 0 H ASN A 55 14.290 -3.683 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 55 16.840 -2.496 -0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.454 -2.065 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.777 -3.436 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 55 16.042 0.125 2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.714 -0.203 1.277 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.641 -13.747 -0.784 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.632 -12.946 -0.052 1.00 0.00 C ATOM 1056 C PRO B 110 -10.037 -11.726 0.658 1.00 0.00 C ATOM 1057 O PRO B 110 -8.847 -11.670 0.977 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.312 -13.914 0.925 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.266 -15.019 1.125 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.608 -15.101 -0.251 1.00 0.00 C ATOM 0 HA PRO B 110 -11.348 -12.508 -0.748 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.562 -13.424 1.866 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.241 -14.311 0.515 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.548 -14.762 1.904 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.724 -15.965 1.413 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.584 -15.467 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.145 -15.791 -0.902 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.898 -10.740 0.933 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.516 -9.439 1.500 1.00 0.00 C ATOM 1070 C ILE B 111 -9.836 -9.546 2.879 1.00 0.00 C ATOM 1071 O ILE B 111 -8.940 -8.759 3.192 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.755 -8.507 1.521 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -11.367 -7.026 1.669 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.766 -8.874 2.620 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -10.837 -6.442 0.362 1.00 0.00 C ATOM 0 H ILE B 111 -11.900 -10.824 0.765 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.753 -9.003 0.855 1.00 0.00 H new ATOM 0 HB ILE B 111 -12.233 -8.656 0.553 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -12.236 -6.454 1.996 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.608 -6.925 2.445 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.610 -8.185 2.583 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -13.121 -9.892 2.462 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.284 -8.805 3.595 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.575 -5.395 0.511 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -9.952 -6.996 0.048 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -11.605 -6.518 -0.408 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.195 -10.554 3.677 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.564 -10.827 4.976 1.00 0.00 C ATOM 1089 C ASP B 112 -8.104 -11.291 4.836 1.00 0.00 C ATOM 1090 O ASP B 112 -7.270 -10.942 5.669 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.372 -11.891 5.747 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.815 -11.488 6.098 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.636 -12.403 6.359 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.129 -10.277 6.161 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.938 -11.211 3.440 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.559 -9.888 5.530 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.401 -12.804 5.152 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.843 -12.128 6.670 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.763 -12.038 3.782 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.414 -12.572 3.574 1.00 0.00 C ATOM 1101 C GLU B 113 -5.422 -11.466 3.168 1.00 0.00 C ATOM 1102 O GLU B 113 -4.366 -11.331 3.787 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.485 -13.722 2.550 1.00 0.00 C ATOM 1104 CG GLU B 113 -5.142 -14.393 2.206 1.00 0.00 C ATOM 1105 CD GLU B 113 -4.530 -15.261 3.331 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -3.449 -15.852 3.107 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -5.111 -15.379 4.440 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.420 -12.291 3.044 1.00 0.00 H new ATOM 0 HA GLU B 113 -6.029 -12.973 4.512 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -7.163 -14.484 2.933 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -6.925 -13.338 1.630 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -5.282 -15.017 1.323 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -4.425 -13.617 1.937 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.761 -10.615 2.190 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.921 -9.473 1.804 1.00 0.00 C ATOM 1116 C LEU B 114 -4.849 -8.389 2.902 1.00 0.00 C ATOM 1117 O LEU B 114 -3.790 -7.785 3.094 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.351 -8.918 0.433 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.784 -8.360 0.341 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.800 -6.848 0.526 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.399 -8.652 -1.028 1.00 0.00 C ATOM 0 H LEU B 114 -6.620 -10.698 1.647 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.898 -9.835 1.698 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.657 -8.126 0.152 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.245 -9.712 -0.306 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.356 -8.846 1.131 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.825 -6.484 0.456 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.392 -6.597 1.505 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.195 -6.380 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.410 -8.248 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.793 -8.188 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.433 -9.729 -1.189 1.00 0.00 H new ATOM 1133 N SER B 115 -5.924 -8.201 3.682 1.00 0.00 N ATOM 1134 CA SER B 115 -5.925 -7.355 4.887 1.00 0.00 C ATOM 1135 C SER B 115 -4.954 -7.896 5.945 1.00 0.00 C ATOM 1136 O SER B 115 -4.108 -7.155 6.450 1.00 0.00 O ATOM 1137 CB SER B 115 -7.343 -7.263 5.467 1.00 0.00 C ATOM 1138 OG SER B 115 -7.352 -6.546 6.688 1.00 0.00 O ATOM 0 H SER B 115 -6.827 -8.636 3.493 1.00 0.00 H new ATOM 0 HA SER B 115 -5.591 -6.358 4.601 1.00 0.00 H new ATOM 0 HB2 SER B 115 -8.001 -6.773 4.750 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.738 -8.266 5.628 1.00 0.00 H new ATOM 0 HG SER B 115 -8.268 -6.501 7.034 1.00 0.00 H new ATOM 1144 N ALA B 116 -5.003 -9.198 6.248 1.00 0.00 N ATOM 1145 CA ALA B 116 -4.081 -9.820 7.191 1.00 0.00 C ATOM 1146 C ALA B 116 -2.613 -9.738 6.720 1.00 0.00 C ATOM 1147 O ALA B 116 -1.739 -9.464 7.539 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.521 -11.269 7.438 1.00 0.00 C ATOM 0 H ALA B 116 -5.682 -9.844 5.845 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.119 -9.268 8.130 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.837 -11.742 8.142 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.530 -11.278 7.851 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.509 -11.818 6.497 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.335 -9.891 5.417 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.993 -9.746 4.843 1.00 0.00 C ATOM 1156 C LEU B 117 -0.426 -8.327 5.005 1.00 0.00 C ATOM 1157 O LEU B 117 0.677 -8.200 5.531 1.00 0.00 O ATOM 1158 CB LEU B 117 -1.004 -10.189 3.365 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.470 -11.614 3.128 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.158 -12.694 3.963 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.631 -11.986 1.655 1.00 0.00 C ATOM 0 H LEU B 117 -3.047 -10.122 4.724 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.322 -10.398 5.402 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -2.025 -10.128 2.987 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.406 -9.488 2.783 1.00 0.00 H new ATOM 0 HG LEU B 117 0.576 -11.585 3.434 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.720 -13.665 3.733 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.022 -12.476 5.022 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.223 -12.711 3.730 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.252 -12.995 1.491 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.686 -11.946 1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.070 -11.283 1.039 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.141 -7.261 4.617 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.605 -5.891 4.770 1.00 0.00 C ATOM 1175 C LEU B 118 -0.432 -5.482 6.239 1.00 0.00 C ATOM 1176 O LEU B 118 0.532 -4.798 6.580 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.416 -4.882 3.931 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.811 -4.491 4.467 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.785 -3.288 5.414 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.720 -4.099 3.313 1.00 0.00 C ATOM 0 H LEU B 118 -2.072 -7.312 4.203 1.00 0.00 H new ATOM 0 HA LEU B 118 0.407 -5.884 4.365 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.824 -3.972 3.829 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.540 -5.295 2.930 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.168 -5.367 5.008 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.798 -3.069 5.752 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.157 -3.516 6.275 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.382 -2.421 4.890 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.701 -3.825 3.700 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.289 -3.250 2.782 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.822 -4.941 2.628 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.315 -5.949 7.129 1.00 0.00 N ATOM 1193 CA ARG B 119 -1.229 -5.697 8.577 1.00 0.00 C ATOM 1194 C ARG B 119 -0.082 -6.470 9.241 1.00 0.00 C ATOM 1195 O ARG B 119 0.616 -5.918 10.094 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.601 -5.991 9.211 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.644 -4.940 8.778 1.00 0.00 C ATOM 1198 CD ARG B 119 -5.031 -5.206 9.372 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.009 -5.127 10.841 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.348 -4.124 11.625 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.839 -3.007 11.164 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -5.192 -4.245 12.910 1.00 0.00 N ATOM 0 H ARG B 119 -2.119 -6.519 6.864 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.984 -4.648 8.745 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.937 -6.985 8.916 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.511 -5.994 10.297 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.306 -3.950 9.084 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.715 -4.930 7.690 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -5.743 -4.481 8.978 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -5.377 -6.193 9.064 1.00 0.00 H new ATOM 0 HE ARG B 119 -4.686 -5.967 11.320 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.974 -2.885 10.160 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.088 -2.256 11.807 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -4.812 -5.108 13.299 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -5.450 -3.477 13.530 1.00 0.00 H new ATOM 1216 N GLN B 120 0.187 -7.704 8.802 1.00 0.00 N ATOM 1217 CA GLN B 120 1.349 -8.503 9.195 1.00 0.00 C ATOM 1218 C GLN B 120 2.678 -7.907 8.685 1.00 0.00 C ATOM 1219 O GLN B 120 3.646 -7.844 9.441 1.00 0.00 O ATOM 1220 CB GLN B 120 1.113 -9.940 8.688 1.00 0.00 C ATOM 1221 CG GLN B 120 2.288 -10.880 8.981 1.00 0.00 C ATOM 1222 CD GLN B 120 1.962 -12.372 8.840 1.00 0.00 C ATOM 1223 OE1 GLN B 120 2.585 -13.226 9.464 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.994 -12.765 8.035 1.00 0.00 N ATOM 0 H GLN B 120 -0.420 -8.189 8.141 1.00 0.00 H new ATOM 0 HA GLN B 120 1.449 -8.503 10.280 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.211 -10.339 9.152 1.00 0.00 H new ATOM 0 HB3 GLN B 120 0.934 -9.915 7.613 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.109 -10.636 8.307 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.642 -10.693 9.995 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.460 -12.076 7.505 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.779 -13.758 7.943 1.00 0.00 H new ATOM 1233 N GLU B 121 2.724 -7.390 7.450 1.00 0.00 N ATOM 1234 CA GLU B 121 3.890 -6.677 6.896 1.00 0.00 C ATOM 1235 C GLU B 121 4.205 -5.350 7.614 1.00 0.00 C ATOM 1236 O GLU B 121 5.326 -4.846 7.507 1.00 0.00 O ATOM 1237 CB GLU B 121 3.676 -6.418 5.391 1.00 0.00 C ATOM 1238 CG GLU B 121 3.858 -7.664 4.506 1.00 0.00 C ATOM 1239 CD GLU B 121 5.293 -8.225 4.493 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.242 -7.529 4.927 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.475 -9.366 4.007 1.00 0.00 O1- ATOM 0 H GLU B 121 1.944 -7.454 6.796 1.00 0.00 H new ATOM 0 HA GLU B 121 4.752 -7.325 7.056 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.671 -6.023 5.241 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.374 -5.648 5.063 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.178 -8.443 4.851 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.567 -7.416 3.485 1.00 0.00 H new ATOM 1248 N MET B 122 3.246 -4.787 8.357 1.00 0.00 N ATOM 1249 CA MET B 122 3.403 -3.619 9.237 1.00 0.00 C ATOM 1250 C MET B 122 3.469 -3.979 10.739 1.00 0.00 C ATOM 1251 O MET B 122 3.565 -3.082 11.584 1.00 0.00 O ATOM 1252 CB MET B 122 2.302 -2.587 8.926 1.00 0.00 C ATOM 1253 CG MET B 122 2.518 -1.971 7.540 1.00 0.00 C ATOM 1254 SD MET B 122 1.385 -0.629 7.111 1.00 0.00 S ATOM 1255 CE MET B 122 -0.072 -1.576 6.611 1.00 0.00 C ATOM 0 H MET B 122 2.293 -5.149 8.363 1.00 0.00 H new ATOM 0 HA MET B 122 4.374 -3.173 9.023 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.324 -3.066 8.969 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.306 -1.803 9.683 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.540 -1.595 7.482 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.424 -2.758 6.791 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.867 -0.891 6.315 1.00 0.00 H new ATOM 0 HE2 MET B 122 0.184 -2.220 5.770 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.413 -2.188 7.446 1.00 0.00 H new ATOM 1349 N SER B 133 -17.465 0.574 5.097 1.00 0.00 N ATOM 1350 CA SER B 133 -17.736 1.990 4.776 1.00 0.00 C ATOM 1351 C SER B 133 -16.673 2.591 3.849 1.00 0.00 C ATOM 1352 O SER B 133 -15.574 2.041 3.701 1.00 0.00 O ATOM 1353 CB SER B 133 -17.856 2.824 6.062 1.00 0.00 C ATOM 1354 OG SER B 133 -16.584 3.095 6.624 1.00 0.00 O ATOM 0 HA SER B 133 -18.686 2.019 4.242 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.366 3.762 5.843 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.470 2.290 6.788 1.00 0.00 H new ATOM 0 HG SER B 133 -16.693 3.628 7.439 1.00 0.00 H new ATOM 1360 N MET B 134 -16.964 3.758 3.256 1.00 0.00 N ATOM 1361 CA MET B 134 -15.983 4.553 2.498 1.00 0.00 C ATOM 1362 C MET B 134 -14.790 4.981 3.380 1.00 0.00 C ATOM 1363 O MET B 134 -13.652 5.020 2.914 1.00 0.00 O ATOM 1364 CB MET B 134 -16.694 5.771 1.883 1.00 0.00 C ATOM 1365 CG MET B 134 -15.835 6.562 0.881 1.00 0.00 C ATOM 1366 SD MET B 134 -16.172 6.240 -0.879 1.00 0.00 S ATOM 1367 CE MET B 134 -15.722 4.490 -1.035 1.00 0.00 C ATOM 0 H MET B 134 -17.892 4.181 3.288 1.00 0.00 H new ATOM 0 HA MET B 134 -15.569 3.937 1.699 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.600 5.433 1.380 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.005 6.440 2.686 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.977 7.626 1.070 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.786 6.341 1.077 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.744 4.201 -2.086 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.719 4.335 -0.637 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.432 3.880 -0.476 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.023 5.241 4.672 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.956 5.551 5.630 1.00 0.00 C ATOM 1379 C GLN B 135 -13.031 4.348 5.885 1.00 0.00 C ATOM 1380 O GLN B 135 -11.816 4.525 5.946 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.558 6.063 6.954 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.368 7.364 6.768 1.00 0.00 C ATOM 1383 CD GLN B 135 -15.895 7.953 8.078 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.704 7.432 9.175 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -16.579 9.078 8.031 1.00 0.00 N ATOM 0 H GLN B 135 -15.957 5.242 5.082 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.342 6.336 5.189 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.204 5.294 7.378 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -13.756 6.237 7.671 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -14.740 8.105 6.273 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.210 7.166 6.104 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -16.753 9.532 7.134 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -16.935 9.495 8.891 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.561 3.123 5.966 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.758 1.910 6.196 1.00 0.00 C ATOM 1396 C ASP B 136 -11.764 1.643 5.050 1.00 0.00 C ATOM 1397 O ASP B 136 -10.573 1.434 5.297 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.669 0.684 6.397 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.641 0.773 7.588 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.700 0.101 7.520 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.337 1.443 8.606 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.560 2.941 5.874 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.179 2.082 7.103 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.249 0.530 5.487 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -13.041 -0.197 6.527 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.228 1.705 3.793 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.361 1.570 2.611 1.00 0.00 C ATOM 1408 C ILE B 137 -10.338 2.713 2.512 1.00 0.00 C ATOM 1409 O ILE B 137 -9.168 2.444 2.227 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.202 1.391 1.324 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.295 1.228 0.081 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.205 2.526 1.110 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.080 0.903 -1.198 1.00 0.00 C ATOM 0 H ILE B 137 -13.212 1.850 3.567 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.771 0.661 2.728 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.778 0.476 1.460 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.728 2.147 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.572 0.434 0.268 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.766 2.347 0.193 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.893 2.568 1.954 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.671 3.473 1.030 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.388 0.801 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.626 -0.031 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.785 1.708 -1.407 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.722 3.966 2.816 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.771 5.086 2.851 1.00 0.00 C ATOM 1427 C GLN B 138 -8.650 4.851 3.876 1.00 0.00 C ATOM 1428 O GLN B 138 -7.481 5.051 3.551 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.493 6.415 3.147 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.225 7.004 1.933 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.006 8.263 2.308 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.208 8.238 2.551 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.364 9.412 2.378 1.00 0.00 N ATOM 0 H GLN B 138 -11.683 4.226 3.040 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.314 5.148 1.863 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.211 6.257 3.951 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.765 7.141 3.508 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.503 7.241 1.151 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.907 6.260 1.522 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.364 9.451 2.179 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.867 10.263 2.631 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.976 4.386 5.089 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.997 4.093 6.149 1.00 0.00 C ATOM 1444 C GLN B 139 -7.008 2.988 5.744 1.00 0.00 C ATOM 1445 O GLN B 139 -5.794 3.194 5.812 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.722 3.705 7.449 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.499 4.860 8.109 1.00 0.00 C ATOM 1448 CD GLN B 139 -8.671 5.749 9.033 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -7.451 5.831 8.969 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -9.321 6.479 9.915 1.00 0.00 N ATOM 0 H GLN B 139 -9.939 4.200 5.367 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.417 5.001 6.312 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.415 2.891 7.236 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.990 3.322 8.160 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -9.933 5.481 7.325 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -10.328 4.441 8.679 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -10.337 6.419 9.977 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.808 7.105 10.536 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.506 1.825 5.307 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.657 0.663 4.989 1.00 0.00 C ATOM 1461 C LEU B 140 -5.768 0.918 3.764 1.00 0.00 C ATOM 1462 O LEU B 140 -4.576 0.603 3.797 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.528 -0.597 4.800 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.738 -1.408 6.095 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -8.439 -0.631 7.212 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.574 -2.657 5.798 1.00 0.00 C ATOM 0 H LEU B 140 -8.502 1.660 5.163 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.986 0.498 5.832 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.500 -0.300 4.407 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -7.064 -1.239 4.051 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.737 -1.660 6.445 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -8.549 -1.271 8.087 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -7.845 0.244 7.475 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -9.424 -0.312 6.871 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.718 -3.225 6.717 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.544 -2.359 5.399 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -8.055 -3.276 5.066 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.318 1.535 2.713 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.585 1.828 1.474 1.00 0.00 C ATOM 1480 C LEU B 141 -4.589 3.000 1.627 1.00 0.00 C ATOM 1481 O LEU B 141 -3.587 3.061 0.915 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.621 2.043 0.348 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.083 1.997 -1.095 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.442 0.646 -1.428 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.242 2.195 -2.078 1.00 0.00 C ATOM 0 H LEU B 141 -7.289 1.847 2.696 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.949 0.982 1.215 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.397 1.284 0.448 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.099 3.010 0.504 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.334 2.785 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.077 0.660 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.609 0.461 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.183 -0.146 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.862 2.163 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.977 1.402 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.712 3.161 -1.896 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.811 3.911 2.586 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.805 4.886 3.018 1.00 0.00 C ATOM 1499 C ALA B 142 -2.667 4.254 3.853 1.00 0.00 C ATOM 1500 O ALA B 142 -1.511 4.677 3.735 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.483 6.001 3.821 1.00 0.00 C ATOM 0 H ALA B 142 -5.698 3.990 3.084 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.345 5.291 2.117 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.734 6.725 4.142 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.226 6.499 3.197 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.972 5.573 4.696 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.948 3.238 4.683 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.952 2.604 5.559 1.00 0.00 C ATOM 1509 C LYS B 143 -0.872 1.854 4.769 1.00 0.00 C ATOM 1510 O LYS B 143 0.314 2.067 5.014 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.653 1.698 6.587 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.746 1.517 7.810 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.298 0.520 8.837 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.282 0.404 9.979 1.00 0.00 C ATOM 1515 NZ LYS B 143 -1.762 -0.462 11.080 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.879 2.831 4.765 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.429 3.393 6.100 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.604 2.139 6.888 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -2.878 0.729 6.141 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.764 1.179 7.478 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.604 2.483 8.293 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.262 0.859 9.217 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.463 -0.453 8.373 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.346 0.005 9.589 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.066 1.398 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.039 -0.507 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -2.641 -0.069 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -1.943 -1.419 10.715 1.00 0.00 H new ATOM 1529 N SER B 144 -1.261 1.060 3.769 1.00 0.00 N ATOM 1530 CA SER B 144 -0.310 0.439 2.839 1.00 0.00 C ATOM 1531 C SER B 144 0.491 1.486 2.041 1.00 0.00 C ATOM 1532 O SER B 144 1.708 1.358 1.931 1.00 0.00 O ATOM 1533 CB SER B 144 -1.041 -0.528 1.903 1.00 0.00 C ATOM 1534 OG SER B 144 -2.055 0.142 1.181 1.00 0.00 O ATOM 0 H SER B 144 -2.236 0.829 3.580 1.00 0.00 H new ATOM 0 HA SER B 144 0.413 -0.123 3.430 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.330 -0.977 1.209 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.478 -1.342 2.482 1.00 0.00 H new ATOM 0 HG SER B 144 -2.283 -0.375 0.380 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.145 2.562 1.555 1.00 0.00 N ATOM 1541 CA LEU B 145 0.516 3.677 0.855 1.00 0.00 C ATOM 1542 C LEU B 145 1.562 4.397 1.733 1.00 0.00 C ATOM 1543 O LEU B 145 2.661 4.706 1.266 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.591 4.596 0.294 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.182 5.845 -0.514 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.143 7.056 0.357 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.968 5.591 -1.488 1.00 0.00 C ATOM 0 H LEU B 145 -1.154 2.685 1.639 1.00 0.00 H new ATOM 0 HA LEU B 145 1.113 3.304 0.023 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.234 3.988 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.199 4.931 1.134 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.074 6.078 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.422 7.897 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.732 7.324 0.949 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.971 6.814 1.023 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.203 6.512 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.846 5.258 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.676 4.821 -2.203 1.00 0.00 H new ATOM 1559 N THR B 146 1.280 4.578 3.026 1.00 0.00 N ATOM 1560 CA THR B 146 2.249 5.130 3.995 1.00 0.00 C ATOM 1561 C THR B 146 3.500 4.242 4.107 1.00 0.00 C ATOM 1562 O THR B 146 4.621 4.747 4.121 1.00 0.00 O ATOM 1563 CB THR B 146 1.588 5.338 5.374 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.536 6.277 5.266 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.547 5.884 6.435 1.00 0.00 C ATOM 0 H THR B 146 0.375 4.348 3.437 1.00 0.00 H new ATOM 0 HA THR B 146 2.572 6.103 3.625 1.00 0.00 H new ATOM 0 HB THR B 146 1.242 4.351 5.682 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.212 5.876 4.775 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.015 6.005 7.379 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.374 5.187 6.572 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.936 6.849 6.111 1.00 0.00 H new ATOM 1573 N GLU B 147 3.336 2.912 4.111 1.00 0.00 N ATOM 1574 CA GLU B 147 4.462 1.967 4.151 1.00 0.00 C ATOM 1575 C GLU B 147 5.233 1.896 2.818 1.00 0.00 C ATOM 1576 O GLU B 147 6.458 1.774 2.837 1.00 0.00 O ATOM 1577 CB GLU B 147 3.943 0.585 4.578 1.00 0.00 C ATOM 1578 CG GLU B 147 5.056 -0.381 5.007 1.00 0.00 C ATOM 1579 CD GLU B 147 5.871 0.145 6.210 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.290 0.710 7.168 1.00 0.00 O ATOM 1581 OE2 GLU B 147 7.118 0.000 6.218 1.00 0.00 O1- ATOM 0 H GLU B 147 2.421 2.461 4.087 1.00 0.00 H new ATOM 0 HA GLU B 147 5.183 2.329 4.885 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.242 0.708 5.403 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.388 0.143 3.751 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.616 -1.344 5.265 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.727 -0.552 4.165 1.00 0.00 H new ATOM 1588 N ILE B 148 4.563 2.040 1.666 1.00 0.00 N ATOM 1589 CA ILE B 148 5.214 2.179 0.347 1.00 0.00 C ATOM 1590 C ILE B 148 6.174 3.383 0.358 1.00 0.00 C ATOM 1591 O ILE B 148 7.350 3.242 0.013 1.00 0.00 O ATOM 1592 CB ILE B 148 4.162 2.300 -0.786 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.401 0.970 -0.994 1.00 0.00 C ATOM 1594 CG2 ILE B 148 4.794 2.750 -2.118 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.173 1.110 -1.901 1.00 0.00 C ATOM 0 H ILE B 148 3.544 2.064 1.619 1.00 0.00 H new ATOM 0 HA ILE B 148 5.796 1.279 0.148 1.00 0.00 H new ATOM 0 HB ILE B 148 3.455 3.066 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.080 0.234 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.086 0.584 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.020 2.821 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.265 3.724 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.545 2.023 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.685 0.141 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.475 1.822 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.485 1.467 -2.883 1.00 0.00 H new ATOM 1607 N LYS B 149 5.696 4.555 0.799 1.00 0.00 N ATOM 1608 CA LYS B 149 6.510 5.778 0.906 1.00 0.00 C ATOM 1609 C LYS B 149 7.680 5.628 1.882 1.00 0.00 C ATOM 1610 O LYS B 149 8.797 6.032 1.558 1.00 0.00 O ATOM 1611 CB LYS B 149 5.609 6.963 1.289 1.00 0.00 C ATOM 1612 CG LYS B 149 4.736 7.408 0.106 1.00 0.00 C ATOM 1613 CD LYS B 149 3.785 8.534 0.531 1.00 0.00 C ATOM 1614 CE LYS B 149 2.916 9.047 -0.626 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.684 9.897 -1.576 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.728 4.684 1.094 1.00 0.00 H new ATOM 0 HA LYS B 149 6.959 5.966 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.972 6.682 2.128 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.225 7.798 1.623 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.370 7.749 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.161 6.561 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.140 8.175 1.333 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.367 9.361 0.937 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.492 8.198 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.080 9.620 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.025 10.382 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.233 10.603 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.331 9.301 -2.130 1.00 0.00 H new ATOM 1629 N ARG B 150 7.460 4.976 3.033 1.00 0.00 N ATOM 1630 CA ARG B 150 8.510 4.654 4.025 1.00 0.00 C ATOM 1631 C ARG B 150 9.626 3.778 3.436 1.00 0.00 C ATOM 1632 O ARG B 150 10.803 4.098 3.599 1.00 0.00 O ATOM 1633 CB ARG B 150 7.849 4.005 5.254 1.00 0.00 C ATOM 1634 CG ARG B 150 8.840 3.661 6.377 1.00 0.00 C ATOM 1635 CD ARG B 150 8.084 3.129 7.603 1.00 0.00 C ATOM 1636 NE ARG B 150 9.015 2.675 8.650 1.00 0.00 N ATOM 1637 CZ ARG B 150 9.452 1.447 8.857 1.00 0.00 C ATOM 1638 NH1 ARG B 150 9.070 0.423 8.150 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 10.315 1.222 9.809 1.00 0.00 N ATOM 0 H ARG B 150 6.534 4.650 3.310 1.00 0.00 H new ATOM 0 HA ARG B 150 9.002 5.578 4.329 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.089 4.681 5.646 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.336 3.095 4.942 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.553 2.914 6.027 1.00 0.00 H new ATOM 0 HG3 ARG B 150 9.414 4.546 6.650 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.438 3.911 8.002 1.00 0.00 H new ATOM 0 HD3 ARG B 150 7.438 2.303 7.305 1.00 0.00 H new ATOM 0 HE ARG B 150 9.362 3.391 9.288 1.00 0.00 H new ATOM 0 HH11 ARG B 150 8.400 0.548 7.391 1.00 0.00 H new ATOM 0 HH12 ARG B 150 9.441 -0.505 8.354 1.00 0.00 H new ATOM 0 HH21 ARG B 150 10.648 1.993 10.388 1.00 0.00 H new ATOM 0 HH22 ARG B 150 10.657 0.275 9.974 1.00 0.00 H new ATOM 1653 N LEU B 151 9.268 2.719 2.703 1.00 0.00 N ATOM 1654 CA LEU B 151 10.228 1.842 2.020 1.00 0.00 C ATOM 1655 C LEU B 151 11.040 2.599 0.954 1.00 0.00 C ATOM 1656 O LEU B 151 12.267 2.488 0.920 1.00 0.00 O ATOM 1657 CB LEU B 151 9.478 0.654 1.376 1.00 0.00 C ATOM 1658 CG LEU B 151 9.710 -0.726 2.015 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.183 -1.141 1.994 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.185 -0.785 3.448 1.00 0.00 C ATOM 0 H LEU B 151 8.296 2.443 2.565 1.00 0.00 H new ATOM 0 HA LEU B 151 10.934 1.472 2.764 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.410 0.868 1.404 1.00 0.00 H new ATOM 0 HB3 LEU B 151 9.765 0.597 0.326 1.00 0.00 H new ATOM 0 HG LEU B 151 9.148 -1.432 1.403 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.291 -2.122 2.457 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.534 -1.186 0.963 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.774 -0.412 2.547 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.369 -1.776 3.862 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.697 -0.038 4.054 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.114 -0.583 3.452 1.00 0.00 H new ATOM 1672 N LYS B 152 10.373 3.386 0.098 1.00 0.00 N ATOM 1673 CA LYS B 152 11.022 4.151 -0.983 1.00 0.00 C ATOM 1674 C LYS B 152 11.962 5.230 -0.447 1.00 0.00 C ATOM 1675 O LYS B 152 13.073 5.368 -0.960 1.00 0.00 O ATOM 1676 CB LYS B 152 9.947 4.749 -1.911 1.00 0.00 C ATOM 1677 CG LYS B 152 9.310 3.633 -2.759 1.00 0.00 C ATOM 1678 CD LYS B 152 8.090 4.126 -3.541 1.00 0.00 C ATOM 1679 CE LYS B 152 7.417 2.949 -4.249 1.00 0.00 C ATOM 1680 NZ LYS B 152 8.018 2.633 -5.565 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.361 3.512 0.134 1.00 0.00 H new ATOM 0 HA LYS B 152 11.645 3.465 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.181 5.251 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.393 5.502 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.051 3.240 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.014 2.809 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.384 4.607 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS B 152 8.394 4.876 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS B 152 7.476 2.068 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS B 152 6.359 3.173 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.769 1.660 -5.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.655 3.295 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 9.052 2.722 -5.505 1.00 0.00 H new ATOM 1694 N ALA B 153 11.579 5.920 0.627 1.00 0.00 N ATOM 1695 CA ALA B 153 12.434 6.891 1.311 1.00 0.00 C ATOM 1696 C ALA B 153 13.712 6.246 1.879 1.00 0.00 C ATOM 1697 O ALA B 153 14.805 6.765 1.660 1.00 0.00 O ATOM 1698 CB ALA B 153 11.617 7.580 2.406 1.00 0.00 C ATOM 0 H ALA B 153 10.657 5.820 1.051 1.00 0.00 H new ATOM 0 HA ALA B 153 12.772 7.632 0.587 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.243 8.307 2.924 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.764 8.090 1.957 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.261 6.835 3.118 1.00 0.00 H new ATOM 1704 N ALA B 154 13.607 5.089 2.542 1.00 0.00 N ATOM 1705 CA ALA B 154 14.756 4.363 3.086 1.00 0.00 C ATOM 1706 C ALA B 154 15.700 3.830 1.986 1.00 0.00 C ATOM 1707 O ALA B 154 16.921 3.997 2.075 1.00 0.00 O ATOM 1708 CB ALA B 154 14.232 3.228 3.980 1.00 0.00 C ATOM 0 H ALA B 154 12.714 4.628 2.717 1.00 0.00 H new ATOM 0 HA ALA B 154 15.360 5.053 3.675 1.00 0.00 H new ATOM 0 HB1 ALA B 154 15.074 2.674 4.396 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.638 3.649 4.791 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.612 2.555 3.388 1.00 0.00 H new ATOM 1714 N ASN B 155 15.142 3.235 0.923 1.00 0.00 N ATOM 1715 CA ASN B 155 15.883 2.719 -0.235 1.00 0.00 C ATOM 1716 C ASN B 155 16.642 3.842 -0.986 1.00 0.00 C ATOM 1717 O ASN B 155 17.809 3.675 -1.347 1.00 0.00 O ATOM 1718 CB ASN B 155 14.866 1.981 -1.129 1.00 0.00 C ATOM 1719 CG ASN B 155 15.500 1.240 -2.301 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.125 1.810 -3.183 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.332 -0.062 -2.382 1.00 0.00 N ATOM 0 H ASN B 155 14.135 3.096 0.843 1.00 0.00 H new ATOM 0 HA ASN B 155 16.663 2.028 0.084 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.310 1.269 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.145 2.702 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.721 -0.578 -3.171 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.813 -0.555 -1.656 1.00 0.00 H new ATOM 1728 N GLN B 156 16.015 5.012 -1.156 1.00 0.00 N ATOM 1729 CA GLN B 156 16.652 6.195 -1.741 1.00 0.00 C ATOM 1730 C GLN B 156 17.750 6.764 -0.827 1.00 0.00 C ATOM 1731 O GLN B 156 18.861 7.033 -1.284 1.00 0.00 O ATOM 1732 CB GLN B 156 15.570 7.241 -2.053 1.00 0.00 C ATOM 1733 CG GLN B 156 16.142 8.501 -2.731 1.00 0.00 C ATOM 1734 CD GLN B 156 15.070 9.484 -3.205 1.00 0.00 C ATOM 1735 OE1 GLN B 156 13.873 9.349 -2.946 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.449 10.527 -3.918 1.00 0.00 N ATOM 0 H GLN B 156 15.043 5.164 -0.889 1.00 0.00 H new ATOM 0 HA GLN B 156 17.150 5.910 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN B 156 14.815 6.795 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.068 7.526 -1.128 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.805 9.010 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.749 8.200 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.435 10.659 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN B 156 14.756 11.202 -4.243 1.00 0.00 H new