USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 180:sc= 0.925 USER MOD Set 1.2: B 144 SER OG : rot -86:sc= 0.977 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 22 MET CE :methyl -171:sc= -0.0586 (180deg=-0.183) USER MOD Single : A 34 MET CE :methyl -170:sc= -0.0497 (180deg=-0.272) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 76:sc= 0.764 USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 1.21 (180deg=1.05) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 1.92 (180deg=1.46) USER MOD Single : A 55 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.2) USER MOD Single : B 115 SER OG : rot 180:sc= 0.662 USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 122 MET CE :methyl 144:sc= -0.837 (180deg=-1.07) USER MOD Single : B 133 SER OG : rot 180:sc= 0.0558 USER MOD Single : B 134 MET CE :methyl -175:sc= -0.054 (180deg=-0.0929) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 138 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.017) USER MOD Single : B 139 GLN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 74:sc= 0.873 USER MOD Single : B 149 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.901) USER MOD Single : B 152 LYS NZ :NH3+ -162:sc= 2.34 (180deg=2.12) USER MOD Single : B 155 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.585 13.070 0.289 1.00 0.00 N ATOM 115 CA PRO A 10 -10.618 12.197 -0.275 1.00 0.00 C ATOM 116 C PRO A 10 -10.041 10.942 -0.951 1.00 0.00 C ATOM 117 O PRO A 10 -8.870 10.893 -1.338 1.00 0.00 O ATOM 118 CB PRO A 10 -11.406 13.078 -1.251 1.00 0.00 C ATOM 119 CG PRO A 10 -10.392 14.139 -1.676 1.00 0.00 C ATOM 120 CD PRO A 10 -9.562 14.344 -0.415 1.00 0.00 C ATOM 0 HA PRO A 10 -11.260 11.795 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.769 12.505 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.278 13.525 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.780 13.800 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.881 15.061 -1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.541 14.635 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.980 15.139 0.203 1.00 0.00 H new ATOM 128 N ILE A 11 -10.886 9.925 -1.117 1.00 0.00 N ATOM 129 CA ILE A 11 -10.487 8.587 -1.583 1.00 0.00 C ATOM 130 C ILE A 11 -9.838 8.557 -2.977 1.00 0.00 C ATOM 131 O ILE A 11 -8.948 7.744 -3.226 1.00 0.00 O ATOM 132 CB ILE A 11 -11.691 7.626 -1.483 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.202 6.169 -1.629 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.831 7.963 -2.463 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.263 5.134 -1.237 1.00 0.00 C ATOM 0 H ILE A 11 -11.886 10.004 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.691 8.249 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.134 7.753 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.899 5.996 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.317 6.026 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.643 7.247 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.199 8.969 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.458 7.912 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.856 4.131 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.549 5.282 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.139 5.252 -1.874 1.00 0.00 H new ATOM 147 N ASP A 12 -10.221 9.463 -3.878 1.00 0.00 N ATOM 148 CA ASP A 12 -9.613 9.575 -5.209 1.00 0.00 C ATOM 149 C ASP A 12 -8.136 10.007 -5.153 1.00 0.00 C ATOM 150 O ASP A 12 -7.335 9.593 -5.992 1.00 0.00 O ATOM 151 CB ASP A 12 -10.415 10.564 -6.069 1.00 0.00 C ATOM 152 CG ASP A 12 -11.837 10.089 -6.407 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.681 10.955 -6.756 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.123 8.865 -6.363 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.963 10.142 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.640 8.582 -5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.477 11.518 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.873 10.745 -6.997 1.00 0.00 H new ATOM 159 N GLU A 13 -7.741 10.801 -4.152 1.00 0.00 N ATOM 160 CA GLU A 13 -6.343 11.225 -3.989 1.00 0.00 C ATOM 161 C GLU A 13 -5.459 10.072 -3.490 1.00 0.00 C ATOM 162 O GLU A 13 -4.467 9.741 -4.138 1.00 0.00 O ATOM 163 CB GLU A 13 -6.243 12.456 -3.074 1.00 0.00 C ATOM 164 CG GLU A 13 -6.904 13.716 -3.661 1.00 0.00 C ATOM 165 CD GLU A 13 -6.278 14.186 -4.989 1.00 0.00 C ATOM 166 OE1 GLU A 13 -7.028 14.708 -5.851 1.00 0.00 O ATOM 167 OE2 GLU A 13 -5.040 14.064 -5.180 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.372 11.165 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.966 11.514 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.708 12.225 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.192 12.666 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.964 13.518 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.836 14.524 -2.932 1.00 0.00 H new ATOM 174 N LEU A 14 -5.823 9.408 -2.379 1.00 0.00 N ATOM 175 CA LEU A 14 -5.042 8.267 -1.871 1.00 0.00 C ATOM 176 C LEU A 14 -5.028 7.076 -2.855 1.00 0.00 C ATOM 177 O LEU A 14 -4.015 6.385 -2.962 1.00 0.00 O ATOM 178 CB LEU A 14 -5.479 7.863 -0.445 1.00 0.00 C ATOM 179 CG LEU A 14 -6.893 7.267 -0.319 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.852 5.740 -0.246 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.585 7.774 0.944 1.00 0.00 C ATOM 0 H LEU A 14 -6.645 9.639 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.007 8.599 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.764 7.137 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.418 8.743 0.196 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.443 7.580 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.867 5.353 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.390 5.345 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.269 5.433 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.582 7.340 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.003 7.485 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.664 8.860 0.904 1.00 0.00 H new ATOM 193 N SER A 15 -6.109 6.881 -3.626 1.00 0.00 N ATOM 194 CA SER A 15 -6.168 5.933 -4.745 1.00 0.00 C ATOM 195 C SER A 15 -5.175 6.303 -5.854 1.00 0.00 C ATOM 196 O SER A 15 -4.296 5.506 -6.184 1.00 0.00 O ATOM 197 CB SER A 15 -7.596 5.851 -5.307 1.00 0.00 C ATOM 198 OG SER A 15 -7.651 5.006 -6.437 1.00 0.00 O ATOM 0 H SER A 15 -6.982 7.389 -3.485 1.00 0.00 H new ATOM 0 HA SER A 15 -5.884 4.953 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.272 5.478 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.941 6.849 -5.578 1.00 0.00 H new ATOM 0 HG SER A 15 -8.571 4.970 -6.774 1.00 0.00 H new ATOM 204 N ALA A 16 -5.254 7.514 -6.421 1.00 0.00 N ATOM 205 CA ALA A 16 -4.380 7.951 -7.511 1.00 0.00 C ATOM 206 C ALA A 16 -2.896 7.994 -7.115 1.00 0.00 C ATOM 207 O ALA A 16 -2.047 7.699 -7.957 1.00 0.00 O ATOM 208 CB ALA A 16 -4.853 9.319 -8.013 1.00 0.00 C ATOM 0 H ALA A 16 -5.931 8.220 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.451 7.213 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.207 9.652 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.878 9.239 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.811 10.040 -7.197 1.00 0.00 H new ATOM 214 N LEU A 17 -2.569 8.302 -5.851 1.00 0.00 N ATOM 215 CA LEU A 17 -1.187 8.301 -5.347 1.00 0.00 C ATOM 216 C LEU A 17 -0.515 6.934 -5.528 1.00 0.00 C ATOM 217 O LEU A 17 0.602 6.893 -6.044 1.00 0.00 O ATOM 218 CB LEU A 17 -1.161 8.743 -3.867 1.00 0.00 C ATOM 219 CG LEU A 17 -0.621 10.168 -3.652 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.395 11.263 -4.388 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.651 10.497 -2.160 1.00 0.00 C ATOM 0 H LEU A 17 -3.259 8.560 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.613 9.017 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.171 8.683 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.548 8.043 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 17 0.389 10.162 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.943 12.232 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.363 11.073 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.432 11.265 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.269 11.506 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.676 10.435 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.029 9.785 -1.618 1.00 0.00 H new ATOM 233 N LEU A 18 -1.176 5.826 -5.171 1.00 0.00 N ATOM 234 CA LEU A 18 -0.580 4.485 -5.299 1.00 0.00 C ATOM 235 C LEU A 18 -0.351 4.088 -6.768 1.00 0.00 C ATOM 236 O LEU A 18 0.636 3.423 -7.078 1.00 0.00 O ATOM 237 CB LEU A 18 -1.368 3.448 -4.468 1.00 0.00 C ATOM 238 CG LEU A 18 -2.586 2.777 -5.137 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.230 1.432 -5.779 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.667 2.515 -4.091 1.00 0.00 C ATOM 0 H LEU A 18 -2.123 5.829 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 18 0.421 4.510 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.675 2.663 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.712 3.938 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.934 3.459 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.120 1.000 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.467 1.584 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.849 0.754 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.526 2.041 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.272 1.857 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.976 3.459 -3.642 1.00 0.00 H new ATOM 252 N ARG A 19 -1.224 4.521 -7.690 1.00 0.00 N ATOM 253 CA ARG A 19 -1.050 4.302 -9.139 1.00 0.00 C ATOM 254 C ARG A 19 0.121 5.130 -9.674 1.00 0.00 C ATOM 255 O ARG A 19 1.077 4.583 -10.224 1.00 0.00 O ATOM 256 CB ARG A 19 -2.349 4.622 -9.912 1.00 0.00 C ATOM 257 CG ARG A 19 -3.636 3.987 -9.365 1.00 0.00 C ATOM 258 CD ARG A 19 -3.610 2.470 -9.191 1.00 0.00 C ATOM 259 NE ARG A 19 -3.653 1.754 -10.484 1.00 0.00 N ATOM 260 CZ ARG A 19 -4.625 1.009 -10.981 1.00 0.00 C ATOM 261 NH1 ARG A 19 -5.763 0.823 -10.374 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -4.441 0.425 -12.126 1.00 0.00 N ATOM 0 H ARG A 19 -2.073 5.034 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.822 3.247 -9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.481 5.704 -9.928 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.221 4.301 -10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.860 4.440 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.457 4.242 -10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.708 2.184 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.459 2.162 -8.580 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.823 1.847 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.937 1.263 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.480 0.238 -10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.559 0.546 -12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.178 -0.154 -12.527 1.00 0.00 H new ATOM 276 N GLN A 20 0.090 6.442 -9.428 1.00 0.00 N ATOM 277 CA GLN A 20 1.055 7.429 -9.895 1.00 0.00 C ATOM 278 C GLN A 20 2.480 7.142 -9.399 1.00 0.00 C ATOM 279 O GLN A 20 3.423 7.229 -10.184 1.00 0.00 O ATOM 280 CB GLN A 20 0.553 8.796 -9.411 1.00 0.00 C ATOM 281 CG GLN A 20 1.463 9.966 -9.801 1.00 0.00 C ATOM 282 CD GLN A 20 0.963 11.352 -9.374 1.00 0.00 C ATOM 283 OE1 GLN A 20 1.654 12.356 -9.529 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.228 11.492 -8.819 1.00 0.00 N ATOM 0 H GLN A 20 -0.651 6.863 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 20 1.125 7.399 -10.982 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.443 8.971 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.454 8.772 -8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.447 9.802 -9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.591 9.961 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.824 10.676 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.551 12.416 -8.532 1.00 0.00 H new ATOM 293 N GLU A 21 2.663 6.756 -8.134 1.00 0.00 N ATOM 294 CA GLU A 21 3.999 6.529 -7.560 1.00 0.00 C ATOM 295 C GLU A 21 4.643 5.188 -7.974 1.00 0.00 C ATOM 296 O GLU A 21 5.866 5.043 -7.889 1.00 0.00 O ATOM 297 CB GLU A 21 3.943 6.734 -6.039 1.00 0.00 C ATOM 298 CG GLU A 21 3.327 5.575 -5.237 1.00 0.00 C ATOM 299 CD GLU A 21 4.401 4.889 -4.393 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.868 5.520 -3.411 1.00 0.00 O ATOM 301 OE2 GLU A 21 4.795 3.752 -4.734 1.00 0.00 O1- ATOM 0 H GLU A 21 1.898 6.592 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 21 4.674 7.272 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.956 6.906 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.372 7.639 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.532 5.951 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.872 4.854 -5.916 1.00 0.00 H new ATOM 308 N MET A 22 3.850 4.237 -8.487 1.00 0.00 N ATOM 309 CA MET A 22 4.330 3.052 -9.230 1.00 0.00 C ATOM 310 C MET A 22 4.559 3.338 -10.729 1.00 0.00 C ATOM 311 O MET A 22 5.056 2.471 -11.458 1.00 0.00 O ATOM 312 CB MET A 22 3.331 1.892 -9.068 1.00 0.00 C ATOM 313 CG MET A 22 3.224 1.389 -7.626 1.00 0.00 C ATOM 314 SD MET A 22 2.137 -0.054 -7.490 1.00 0.00 S ATOM 315 CE MET A 22 1.369 0.304 -5.888 1.00 0.00 C ATOM 0 H MET A 22 2.834 4.266 -8.398 1.00 0.00 H new ATOM 0 HA MET A 22 5.296 2.779 -8.804 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.347 2.217 -9.407 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.634 1.067 -9.713 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.217 1.131 -7.257 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.846 2.189 -6.990 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.786 -0.558 -5.563 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.145 0.516 -5.152 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.714 1.170 -5.984 1.00 0.00 H new ATOM 325 N GLY A 23 4.190 4.534 -11.206 1.00 0.00 N ATOM 326 CA GLY A 23 4.274 4.958 -12.612 1.00 0.00 C ATOM 327 C GLY A 23 3.111 4.480 -13.503 1.00 0.00 C ATOM 328 O GLY A 23 3.196 4.572 -14.729 1.00 0.00 O ATOM 0 H GLY A 23 3.810 5.262 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.315 6.047 -12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.210 4.590 -13.032 1.00 0.00 H new ATOM 420 N MET A 34 -16.559 -4.658 -4.488 1.00 0.00 N ATOM 421 CA MET A 34 -15.659 -5.555 -3.759 1.00 0.00 C ATOM 422 C MET A 34 -14.411 -5.931 -4.581 1.00 0.00 C ATOM 423 O MET A 34 -13.324 -6.094 -4.029 1.00 0.00 O ATOM 424 CB MET A 34 -16.466 -6.808 -3.383 1.00 0.00 C ATOM 425 CG MET A 34 -15.819 -7.639 -2.260 1.00 0.00 C ATOM 426 SD MET A 34 -16.487 -7.368 -0.587 1.00 0.00 S ATOM 427 CE MET A 34 -15.897 -5.691 -0.216 1.00 0.00 C ATOM 0 HA MET A 34 -15.286 -5.049 -2.869 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.466 -6.507 -3.072 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.583 -7.435 -4.267 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.927 -8.695 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.751 -7.423 -2.243 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.078 -5.466 0.835 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.829 -5.627 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.430 -4.972 -0.838 1.00 0.00 H new ATOM 437 N GLN A 35 -14.532 -6.000 -5.913 1.00 0.00 N ATOM 438 CA GLN A 35 -13.397 -6.242 -6.811 1.00 0.00 C ATOM 439 C GLN A 35 -12.422 -5.050 -6.828 1.00 0.00 C ATOM 440 O GLN A 35 -11.209 -5.256 -6.831 1.00 0.00 O ATOM 441 CB GLN A 35 -13.909 -6.535 -8.233 1.00 0.00 C ATOM 442 CG GLN A 35 -14.789 -7.794 -8.306 1.00 0.00 C ATOM 443 CD GLN A 35 -15.247 -8.144 -9.726 1.00 0.00 C ATOM 444 OE1 GLN A 35 -14.946 -7.491 -10.716 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.004 -9.208 -9.886 1.00 0.00 N ATOM 0 H GLN A 35 -15.422 -5.889 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.850 -7.108 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.479 -5.678 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.057 -6.654 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.236 -8.638 -7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.667 -7.650 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.270 -9.771 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.325 -9.470 -10.818 1.00 0.00 H new ATOM 454 N ASP A 36 -12.917 -3.810 -6.794 1.00 0.00 N ATOM 455 CA ASP A 36 -12.076 -2.605 -6.845 1.00 0.00 C ATOM 456 C ASP A 36 -11.192 -2.479 -5.597 1.00 0.00 C ATOM 457 O ASP A 36 -9.988 -2.244 -5.706 1.00 0.00 O ATOM 458 CB ASP A 36 -12.935 -1.331 -6.959 1.00 0.00 C ATOM 459 CG ASP A 36 -13.973 -1.285 -8.089 1.00 0.00 C ATOM 460 OD1 ASP A 36 -14.954 -0.520 -7.929 1.00 0.00 O ATOM 461 OD2 ASP A 36 -13.819 -1.973 -9.128 1.00 0.00 O1- ATOM 0 H ASP A 36 -13.915 -3.610 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.445 -2.707 -7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.458 -1.190 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.264 -0.481 -7.081 1.00 0.00 H new ATOM 466 N ILE A 37 -11.777 -2.676 -4.409 1.00 0.00 N ATOM 467 CA ILE A 37 -11.059 -2.620 -3.126 1.00 0.00 C ATOM 468 C ILE A 37 -10.032 -3.757 -3.005 1.00 0.00 C ATOM 469 O ILE A 37 -8.901 -3.492 -2.597 1.00 0.00 O ATOM 470 CB ILE A 37 -12.054 -2.542 -1.940 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.293 -2.381 -0.605 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.038 -3.719 -1.893 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.214 -2.205 0.612 1.00 0.00 C ATOM 0 H ILE A 37 -12.771 -2.881 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.475 -1.700 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.667 -1.656 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.662 -3.256 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.630 -1.518 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.705 -3.602 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.624 -3.740 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.484 -4.653 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.610 -2.098 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.827 -1.314 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.859 -3.078 0.709 1.00 0.00 H new ATOM 485 N GLN A 38 -10.360 -4.985 -3.422 1.00 0.00 N ATOM 486 CA GLN A 38 -9.388 -6.084 -3.465 1.00 0.00 C ATOM 487 C GLN A 38 -8.212 -5.769 -4.410 1.00 0.00 C ATOM 488 O GLN A 38 -7.057 -5.938 -4.021 1.00 0.00 O ATOM 489 CB GLN A 38 -10.060 -7.403 -3.896 1.00 0.00 C ATOM 490 CG GLN A 38 -10.880 -8.065 -2.780 1.00 0.00 C ATOM 491 CD GLN A 38 -11.444 -9.415 -3.220 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.600 -9.544 -3.609 1.00 0.00 O ATOM 493 NE2 GLN A 38 -10.659 -10.477 -3.206 1.00 0.00 N ATOM 0 H GLN A 38 -11.295 -5.244 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.996 -6.198 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.711 -7.208 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.292 -8.099 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.252 -8.202 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.698 -7.406 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.694 -10.394 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.018 -11.381 -3.515 1.00 0.00 H new ATOM 502 N GLN A 39 -8.484 -5.265 -5.619 1.00 0.00 N ATOM 503 CA GLN A 39 -7.461 -4.939 -6.627 1.00 0.00 C ATOM 504 C GLN A 39 -6.529 -3.802 -6.177 1.00 0.00 C ATOM 505 O GLN A 39 -5.309 -3.968 -6.224 1.00 0.00 O ATOM 506 CB GLN A 39 -8.127 -4.586 -7.970 1.00 0.00 C ATOM 507 CG GLN A 39 -8.686 -5.831 -8.687 1.00 0.00 C ATOM 508 CD GLN A 39 -9.669 -5.489 -9.813 1.00 0.00 C ATOM 509 OE1 GLN A 39 -9.848 -4.354 -10.240 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.332 -6.479 -10.374 1.00 0.00 N ATOM 0 H GLN A 39 -9.435 -5.068 -5.932 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.842 -5.827 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.935 -3.875 -7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.400 -4.093 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.858 -6.407 -9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.186 -6.468 -7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.203 -7.434 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.975 -6.291 -11.143 1.00 0.00 H new ATOM 519 N LEU A 40 -7.067 -2.678 -5.683 1.00 0.00 N ATOM 520 CA LEU A 40 -6.271 -1.534 -5.201 1.00 0.00 C ATOM 521 C LEU A 40 -5.384 -1.918 -4.011 1.00 0.00 C ATOM 522 O LEU A 40 -4.192 -1.592 -3.983 1.00 0.00 O ATOM 523 CB LEU A 40 -7.204 -0.371 -4.799 1.00 0.00 C ATOM 524 CG LEU A 40 -7.888 0.363 -5.970 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.986 1.291 -5.447 1.00 0.00 C ATOM 526 CD2 LEU A 40 -6.897 1.211 -6.773 1.00 0.00 C ATOM 0 H LEU A 40 -8.074 -2.533 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.621 -1.220 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.976 -0.760 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.627 0.354 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.307 -0.406 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.460 1.802 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.732 0.705 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.549 2.028 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.422 1.710 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.445 1.958 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.117 0.569 -7.183 1.00 0.00 H new ATOM 538 N LEU A 41 -5.952 -2.635 -3.040 1.00 0.00 N ATOM 539 CA LEU A 41 -5.268 -2.992 -1.800 1.00 0.00 C ATOM 540 C LEU A 41 -4.219 -4.099 -2.013 1.00 0.00 C ATOM 541 O LEU A 41 -3.141 -4.039 -1.420 1.00 0.00 O ATOM 542 CB LEU A 41 -6.358 -3.329 -0.757 1.00 0.00 C ATOM 543 CG LEU A 41 -5.900 -3.327 0.708 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.350 -1.966 1.133 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.108 -3.622 1.606 1.00 0.00 C ATOM 0 H LEU A 41 -6.908 -2.986 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.675 -2.158 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.172 -2.612 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.766 -4.313 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.117 -4.079 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.038 -2.010 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.495 -1.708 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.125 -1.208 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.794 -3.623 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.868 -2.855 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.522 -4.598 1.351 1.00 0.00 H new ATOM 557 N ALA A 42 -4.469 -5.056 -2.914 1.00 0.00 N ATOM 558 CA ALA A 42 -3.482 -6.059 -3.333 1.00 0.00 C ATOM 559 C ALA A 42 -2.316 -5.452 -4.138 1.00 0.00 C ATOM 560 O ALA A 42 -1.160 -5.808 -3.894 1.00 0.00 O ATOM 561 CB ALA A 42 -4.183 -7.160 -4.136 1.00 0.00 C ATOM 0 H ALA A 42 -5.372 -5.157 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.040 -6.484 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.451 -7.905 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.943 -7.635 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.654 -6.724 -5.017 1.00 0.00 H new ATOM 567 N LYS A 43 -2.585 -4.506 -5.054 1.00 0.00 N ATOM 568 CA LYS A 43 -1.565 -3.754 -5.798 1.00 0.00 C ATOM 569 C LYS A 43 -0.640 -2.988 -4.846 1.00 0.00 C ATOM 570 O LYS A 43 0.582 -3.074 -4.973 1.00 0.00 O ATOM 571 CB LYS A 43 -2.287 -2.825 -6.791 1.00 0.00 C ATOM 572 CG LYS A 43 -1.301 -2.176 -7.756 1.00 0.00 C ATOM 573 CD LYS A 43 -2.003 -1.229 -8.741 1.00 0.00 C ATOM 574 CE LYS A 43 -0.997 -0.510 -9.649 1.00 0.00 C ATOM 575 NZ LYS A 43 -0.497 -1.384 -10.741 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.538 -4.239 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.921 -4.435 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.028 -3.394 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.826 -2.052 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.551 -1.622 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.773 -2.951 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.706 -1.795 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.584 -0.492 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.468 0.373 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.155 -0.162 -9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.179 -0.854 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.024 -2.215 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.296 -1.696 -11.330 1.00 0.00 H new ATOM 589 N SER A 44 -1.216 -2.306 -3.855 1.00 0.00 N ATOM 590 CA SER A 44 -0.479 -1.595 -2.809 1.00 0.00 C ATOM 591 C SER A 44 0.387 -2.537 -1.951 1.00 0.00 C ATOM 592 O SER A 44 1.592 -2.312 -1.819 1.00 0.00 O ATOM 593 CB SER A 44 -1.472 -0.780 -1.973 1.00 0.00 C ATOM 594 OG SER A 44 -0.813 0.035 -1.033 1.00 0.00 O ATOM 0 H SER A 44 -2.228 -2.231 -3.755 1.00 0.00 H new ATOM 0 HA SER A 44 0.231 -0.913 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.079 -0.159 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.153 -1.456 -1.455 1.00 0.00 H new ATOM 0 HG SER A 44 -1.475 0.542 -0.518 1.00 0.00 H new ATOM 600 N LEU A 45 -0.175 -3.651 -1.466 1.00 0.00 N ATOM 601 CA LEU A 45 0.555 -4.676 -0.699 1.00 0.00 C ATOM 602 C LEU A 45 1.707 -5.318 -1.501 1.00 0.00 C ATOM 603 O LEU A 45 2.814 -5.476 -0.982 1.00 0.00 O ATOM 604 CB LEU A 45 -0.495 -5.694 -0.195 1.00 0.00 C ATOM 605 CG LEU A 45 -0.025 -6.920 0.617 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.430 -8.088 -0.263 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.072 -6.602 1.632 1.00 0.00 C ATOM 0 H LEU A 45 -1.162 -3.872 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 45 1.065 -4.225 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.212 -5.149 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.037 -6.065 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.918 -7.221 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.748 -8.917 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.397 -8.410 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.263 -7.769 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.350 -7.512 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.944 -6.204 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.705 -5.863 2.344 1.00 0.00 H new ATOM 619 N THR A 46 1.485 -5.635 -2.777 1.00 0.00 N ATOM 620 CA THR A 46 2.511 -6.219 -3.663 1.00 0.00 C ATOM 621 C THR A 46 3.724 -5.288 -3.810 1.00 0.00 C ATOM 622 O THR A 46 4.867 -5.750 -3.814 1.00 0.00 O ATOM 623 CB THR A 46 1.920 -6.543 -5.050 1.00 0.00 C ATOM 624 OG1 THR A 46 0.901 -7.515 -4.929 1.00 0.00 O ATOM 625 CG2 THR A 46 2.940 -7.127 -6.029 1.00 0.00 C ATOM 0 H THR A 46 0.584 -5.496 -3.235 1.00 0.00 H new ATOM 0 HA THR A 46 2.849 -7.146 -3.200 1.00 0.00 H new ATOM 0 HB THR A 46 1.555 -5.590 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.089 -7.096 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.454 -7.330 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.750 -6.413 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.344 -8.054 -5.623 1.00 0.00 H new ATOM 633 N GLU A 47 3.504 -3.970 -3.873 1.00 0.00 N ATOM 634 CA GLU A 47 4.592 -2.990 -3.985 1.00 0.00 C ATOM 635 C GLU A 47 5.435 -2.865 -2.701 1.00 0.00 C ATOM 636 O GLU A 47 6.650 -2.693 -2.796 1.00 0.00 O ATOM 637 CB GLU A 47 4.008 -1.648 -4.446 1.00 0.00 C ATOM 638 CG GLU A 47 5.023 -0.506 -4.641 1.00 0.00 C ATOM 639 CD GLU A 47 6.006 -0.676 -5.817 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.690 0.317 -6.159 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.110 -1.773 -6.415 1.00 0.00 O1- ATOM 0 H GLU A 47 2.573 -3.554 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 47 5.299 -3.345 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.483 -1.806 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.265 -1.327 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.472 0.424 -4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.600 -0.397 -3.723 1.00 0.00 H new ATOM 648 N ILE A 48 4.846 -3.042 -1.506 1.00 0.00 N ATOM 649 CA ILE A 48 5.602 -3.117 -0.235 1.00 0.00 C ATOM 650 C ILE A 48 6.598 -4.284 -0.294 1.00 0.00 C ATOM 651 O ILE A 48 7.797 -4.108 -0.049 1.00 0.00 O ATOM 652 CB ILE A 48 4.682 -3.289 1.003 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.664 -2.144 1.158 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.527 -3.423 2.290 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.546 -2.456 2.165 1.00 0.00 C ATOM 0 H ILE A 48 3.837 -3.137 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 48 6.127 -2.169 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 48 4.112 -4.204 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.188 -1.242 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.219 -1.929 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.866 -3.543 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.178 -4.294 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.134 -2.527 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.864 -1.608 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.998 -3.340 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.982 -2.642 3.147 1.00 0.00 H new ATOM 667 N LYS A 49 6.117 -5.479 -0.667 1.00 0.00 N ATOM 668 CA LYS A 49 6.922 -6.704 -0.782 1.00 0.00 C ATOM 669 C LYS A 49 8.036 -6.562 -1.826 1.00 0.00 C ATOM 670 O LYS A 49 9.176 -6.951 -1.548 1.00 0.00 O ATOM 671 CB LYS A 49 6.008 -7.899 -1.097 1.00 0.00 C ATOM 672 CG LYS A 49 5.099 -8.270 0.085 1.00 0.00 C ATOM 673 CD LYS A 49 4.172 -9.437 -0.278 1.00 0.00 C ATOM 674 CE LYS A 49 3.297 -9.881 0.898 1.00 0.00 C ATOM 675 NZ LYS A 49 4.074 -10.582 1.954 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.135 -5.624 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 49 7.414 -6.880 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.392 -7.663 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.620 -8.760 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.709 -8.541 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.503 -7.405 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.533 -9.143 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.772 -10.281 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.806 -9.009 1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.510 -10.541 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.478 -11.309 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.910 -11.031 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.378 -9.896 2.674 1.00 0.00 H new ATOM 689 N ARG A 50 7.749 -5.945 -2.978 1.00 0.00 N ATOM 690 CA ARG A 50 8.743 -5.653 -4.026 1.00 0.00 C ATOM 691 C ARG A 50 9.830 -4.684 -3.552 1.00 0.00 C ATOM 692 O ARG A 50 11.010 -4.939 -3.788 1.00 0.00 O ATOM 693 CB ARG A 50 8.028 -5.160 -5.301 1.00 0.00 C ATOM 694 CG ARG A 50 9.013 -4.984 -6.474 1.00 0.00 C ATOM 695 CD ARG A 50 8.327 -4.917 -7.845 1.00 0.00 C ATOM 696 NE ARG A 50 7.483 -3.719 -8.016 1.00 0.00 N ATOM 697 CZ ARG A 50 7.024 -3.226 -9.151 1.00 0.00 C ATOM 698 NH1 ARG A 50 7.283 -3.760 -10.311 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 6.283 -2.164 -9.120 1.00 0.00 N ATOM 0 H ARG A 50 6.809 -5.629 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 50 9.268 -6.578 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.251 -5.872 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.532 -4.211 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.589 -4.072 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.721 -5.813 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.088 -4.932 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.714 -5.808 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 50 7.227 -3.218 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.864 -4.596 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.905 -3.342 -11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.063 -1.722 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.920 -1.770 -9.988 1.00 0.00 H new ATOM 713 N LEU A 51 9.461 -3.633 -2.817 1.00 0.00 N ATOM 714 CA LEU A 51 10.412 -2.686 -2.210 1.00 0.00 C ATOM 715 C LEU A 51 11.310 -3.350 -1.155 1.00 0.00 C ATOM 716 O LEU A 51 12.528 -3.155 -1.185 1.00 0.00 O ATOM 717 CB LEU A 51 9.653 -1.499 -1.580 1.00 0.00 C ATOM 718 CG LEU A 51 9.782 -0.165 -2.331 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.225 0.347 -2.365 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.245 -0.250 -3.760 1.00 0.00 C ATOM 0 H LEU A 51 8.485 -3.409 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 51 11.060 -2.327 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.597 -1.759 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.012 -1.359 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 51 9.173 0.543 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.263 1.292 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.582 0.498 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.859 -0.384 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.358 0.717 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.803 -1.005 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.190 -0.523 -3.737 1.00 0.00 H new ATOM 732 N LYS A 52 10.730 -4.157 -0.259 1.00 0.00 N ATOM 733 CA LYS A 52 11.490 -4.902 0.761 1.00 0.00 C ATOM 734 C LYS A 52 12.469 -5.899 0.132 1.00 0.00 C ATOM 735 O LYS A 52 13.625 -5.944 0.552 1.00 0.00 O ATOM 736 CB LYS A 52 10.532 -5.615 1.730 1.00 0.00 C ATOM 737 CG LYS A 52 9.862 -4.623 2.699 1.00 0.00 C ATOM 738 CD LYS A 52 9.007 -5.368 3.734 1.00 0.00 C ATOM 739 CE LYS A 52 8.392 -4.401 4.751 1.00 0.00 C ATOM 740 NZ LYS A 52 7.781 -5.144 5.874 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.723 -4.314 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 52 12.083 -4.179 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.766 -6.143 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.081 -6.365 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.624 -4.032 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.239 -3.925 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.214 -5.917 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.621 -6.103 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.160 -3.726 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.638 -3.784 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.980 -4.601 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.444 -6.068 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.489 -5.286 6.622 1.00 0.00 H new ATOM 754 N ALA A 53 12.055 -6.635 -0.903 1.00 0.00 N ATOM 755 CA ALA A 53 12.929 -7.541 -1.646 1.00 0.00 C ATOM 756 C ALA A 53 14.103 -6.804 -2.320 1.00 0.00 C ATOM 757 O ALA A 53 15.249 -7.233 -2.189 1.00 0.00 O ATOM 758 CB ALA A 53 12.079 -8.308 -2.669 1.00 0.00 C ATOM 0 H ALA A 53 11.096 -6.617 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 53 13.386 -8.243 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.716 -8.990 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.309 -8.878 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.608 -7.602 -3.353 1.00 0.00 H new ATOM 764 N ALA A 54 13.848 -5.661 -2.972 1.00 0.00 N ATOM 765 CA ALA A 54 14.888 -4.850 -3.617 1.00 0.00 C ATOM 766 C ALA A 54 15.900 -4.264 -2.609 1.00 0.00 C ATOM 767 O ALA A 54 17.113 -4.344 -2.813 1.00 0.00 O ATOM 768 CB ALA A 54 14.195 -3.749 -4.430 1.00 0.00 C ATOM 0 H ALA A 54 12.910 -5.272 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 54 15.479 -5.488 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.947 -3.131 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.551 -4.203 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.594 -3.129 -3.765 1.00 0.00 H new ATOM 774 N ASN A 55 15.406 -3.710 -1.493 1.00 0.00 N ATOM 775 CA ASN A 55 16.226 -3.150 -0.410 1.00 0.00 C ATOM 776 C ASN A 55 17.077 -4.238 0.277 1.00 0.00 C ATOM 777 O ASN A 55 18.266 -4.030 0.517 1.00 0.00 O ATOM 778 CB ASN A 55 15.273 -2.435 0.563 1.00 0.00 C ATOM 779 CG ASN A 55 15.960 -1.651 1.667 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.728 -2.172 2.461 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.679 -0.372 1.791 1.00 0.00 N ATOM 0 H ASN A 55 14.404 -3.637 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 55 16.948 -2.434 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.639 -1.755 -0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.617 -3.177 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 55 16.101 0.172 2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.039 0.076 1.135 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.285 -13.775 -0.471 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.307 -12.876 0.062 1.00 0.00 C ATOM 1056 C PRO B 110 -9.710 -11.652 0.771 1.00 0.00 C ATOM 1057 O PRO B 110 -8.560 -11.656 1.223 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.177 -13.719 1.003 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.239 -14.843 1.430 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.401 -15.078 0.177 1.00 0.00 C ATOM 0 HA PRO B 110 -10.902 -12.457 -0.749 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.525 -13.139 1.857 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.062 -14.104 0.497 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.622 -14.554 2.281 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.787 -15.738 1.724 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.419 -15.477 0.432 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.878 -15.802 -0.483 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.527 -10.603 0.895 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.114 -9.300 1.429 1.00 0.00 C ATOM 1070 C ILE B 111 -9.591 -9.355 2.876 1.00 0.00 C ATOM 1071 O ILE B 111 -8.681 -8.603 3.229 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.242 -8.269 1.236 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.728 -6.861 1.588 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.508 -8.601 2.046 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.472 -5.771 0.817 1.00 0.00 C ATOM 0 H ILE B 111 -11.510 -10.634 0.623 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.249 -8.974 0.851 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.533 -8.304 0.186 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.842 -6.690 2.658 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.662 -6.798 1.367 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.265 -7.837 1.867 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.893 -9.573 1.737 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.264 -8.628 3.108 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.077 -4.794 1.096 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.336 -5.925 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.534 -5.815 1.058 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.082 -10.294 3.694 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.587 -10.508 5.064 1.00 0.00 C ATOM 1089 C ASP B 112 -8.120 -10.996 5.091 1.00 0.00 C ATOM 1090 O ASP B 112 -7.365 -10.635 5.998 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.486 -11.519 5.800 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.956 -11.086 5.978 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.277 -9.875 5.908 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.804 -11.981 6.227 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.834 -10.929 3.427 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.621 -9.544 5.571 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.466 -12.463 5.255 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -10.059 -11.711 6.784 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.692 -11.785 4.097 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.326 -12.316 4.012 1.00 0.00 C ATOM 1101 C GLU B 113 -5.330 -11.259 3.516 1.00 0.00 C ATOM 1102 O GLU B 113 -4.294 -11.055 4.149 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.297 -13.565 3.115 1.00 0.00 C ATOM 1104 CG GLU B 113 -7.042 -14.788 3.685 1.00 0.00 C ATOM 1105 CD GLU B 113 -6.307 -15.543 4.812 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -5.303 -15.037 5.374 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -6.736 -16.675 5.149 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.289 -12.075 3.323 1.00 0.00 H new ATOM 0 HA GLU B 113 -6.015 -12.598 5.018 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.731 -13.311 2.148 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -5.258 -13.842 2.935 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -8.010 -14.459 4.062 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -7.237 -15.486 2.871 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.632 -10.516 2.440 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.752 -9.424 1.980 1.00 0.00 C ATOM 1116 C LEU B 114 -4.691 -8.254 2.984 1.00 0.00 C ATOM 1117 O LEU B 114 -3.628 -7.649 3.146 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.092 -8.996 0.541 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.486 -8.375 0.328 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.425 -6.851 0.359 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.068 -8.775 -1.026 1.00 0.00 C ATOM 0 H LEU B 114 -6.471 -10.647 1.875 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.734 -9.812 1.944 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.342 -8.277 0.211 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.003 -9.869 -0.106 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.113 -8.747 1.138 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.424 -6.444 0.206 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.043 -6.522 1.325 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.764 -6.497 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.052 -8.322 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.408 -8.429 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.160 -9.860 -1.076 1.00 0.00 H new ATOM 1133 N SER B 115 -5.783 -7.986 3.717 1.00 0.00 N ATOM 1134 CA SER B 115 -5.788 -7.099 4.889 1.00 0.00 C ATOM 1135 C SER B 115 -4.842 -7.590 5.990 1.00 0.00 C ATOM 1136 O SER B 115 -4.039 -6.808 6.500 1.00 0.00 O ATOM 1137 CB SER B 115 -7.210 -6.975 5.443 1.00 0.00 C ATOM 1138 OG SER B 115 -7.220 -6.288 6.686 1.00 0.00 O ATOM 0 H SER B 115 -6.699 -8.385 3.509 1.00 0.00 H new ATOM 0 HA SER B 115 -5.431 -6.123 4.561 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.837 -6.444 4.726 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.641 -7.968 5.570 1.00 0.00 H new ATOM 0 HG SER B 115 -8.140 -6.222 7.016 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.864 -8.880 6.337 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.933 -9.429 7.320 1.00 0.00 C ATOM 1146 C ALA B 116 -2.474 -9.322 6.841 1.00 0.00 C ATOM 1147 O ALA B 116 -1.614 -8.931 7.625 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.287 -10.883 7.639 1.00 0.00 C ATOM 0 H ALA B 116 -5.517 -9.561 5.950 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.026 -8.836 8.230 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.583 -11.276 8.373 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.298 -10.931 8.044 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.232 -11.479 6.728 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.199 -9.601 5.564 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.852 -9.524 4.991 1.00 0.00 C ATOM 1156 C LEU B 117 -0.270 -8.100 5.046 1.00 0.00 C ATOM 1157 O LEU B 117 0.862 -7.942 5.497 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.860 -10.090 3.556 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.414 -11.564 3.466 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.246 -12.536 4.303 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.498 -12.030 2.012 1.00 0.00 C ATOM 0 H LEU B 117 -2.911 -9.889 4.893 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.190 -10.137 5.602 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.865 -9.999 3.145 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.204 -9.483 2.932 1.00 0.00 H new ATOM 0 HG LEU B 117 0.602 -11.581 3.861 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.860 -13.547 4.177 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.188 -12.253 5.354 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.285 -12.501 3.975 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.183 -13.071 1.945 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.525 -11.938 1.659 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.155 -11.413 1.394 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.008 -7.048 4.666 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.487 -5.669 4.754 1.00 0.00 C ATOM 1175 C LEU B 118 -0.298 -5.194 6.207 1.00 0.00 C ATOM 1176 O LEU B 118 0.661 -4.480 6.498 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.316 -4.710 3.880 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.715 -4.335 4.405 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.725 -3.087 5.296 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.642 -4.052 3.232 1.00 0.00 C ATOM 0 H LEU B 118 -1.957 -7.119 4.298 1.00 0.00 H new ATOM 0 HA LEU B 118 0.521 -5.666 4.339 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.745 -3.791 3.746 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.431 -5.161 2.894 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.044 -5.186 5.002 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.743 -2.885 5.628 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.087 -3.254 6.164 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.351 -2.233 4.731 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.631 -3.787 3.606 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.243 -3.226 2.644 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.717 -4.940 2.605 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.159 -5.637 7.130 1.00 0.00 N ATOM 1193 CA ARG B 119 -1.020 -5.363 8.574 1.00 0.00 C ATOM 1194 C ARG B 119 0.168 -6.114 9.186 1.00 0.00 C ATOM 1195 O ARG B 119 0.918 -5.524 9.966 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.358 -5.670 9.273 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.410 -4.605 8.905 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.735 -4.768 9.660 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.542 -5.898 9.149 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.757 -7.072 9.708 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.218 -7.427 10.838 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -6.548 -7.916 9.121 1.00 0.00 N ATOM 0 H ARG B 119 -1.978 -6.199 6.900 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.794 -4.308 8.725 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.712 -6.658 8.978 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -2.215 -5.692 10.353 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.002 -3.616 9.112 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.603 -4.652 7.833 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.529 -4.922 10.719 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -5.312 -3.847 9.578 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.991 -5.749 8.245 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -4.598 -6.785 11.331 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -5.416 -8.348 11.230 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -6.994 -7.667 8.238 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -6.724 -8.828 9.542 1.00 0.00 H new ATOM 1216 N GLN B 120 0.412 -7.353 8.762 1.00 0.00 N ATOM 1217 CA GLN B 120 1.599 -8.144 9.107 1.00 0.00 C ATOM 1218 C GLN B 120 2.896 -7.514 8.558 1.00 0.00 C ATOM 1219 O GLN B 120 3.897 -7.467 9.274 1.00 0.00 O ATOM 1220 CB GLN B 120 1.440 -9.581 8.572 1.00 0.00 C ATOM 1221 CG GLN B 120 0.481 -10.462 9.392 1.00 0.00 C ATOM 1222 CD GLN B 120 0.001 -11.688 8.607 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.544 -12.077 7.577 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -1.026 -12.376 9.068 1.00 0.00 N ATOM 0 H GLN B 120 -0.231 -7.853 8.148 1.00 0.00 H new ATOM 0 HA GLN B 120 1.682 -8.162 10.194 1.00 0.00 H new ATOM 0 HB2 GLN B 120 1.082 -9.535 7.543 1.00 0.00 H new ATOM 0 HB3 GLN B 120 2.420 -10.057 8.548 1.00 0.00 H new ATOM 0 HG2 GLN B 120 0.982 -10.790 10.303 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -0.381 -9.869 9.698 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -1.498 -12.078 9.922 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -1.348 -13.206 8.571 1.00 0.00 H new ATOM 1233 N GLU B 121 2.892 -6.984 7.327 1.00 0.00 N ATOM 1234 CA GLU B 121 4.039 -6.276 6.739 1.00 0.00 C ATOM 1235 C GLU B 121 4.383 -4.960 7.464 1.00 0.00 C ATOM 1236 O GLU B 121 5.562 -4.616 7.583 1.00 0.00 O ATOM 1237 CB GLU B 121 3.797 -5.992 5.243 1.00 0.00 C ATOM 1238 CG GLU B 121 3.930 -7.227 4.330 1.00 0.00 C ATOM 1239 CD GLU B 121 5.345 -7.836 4.275 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.493 -8.935 3.685 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.310 -7.230 4.797 1.00 0.00 O1- ATOM 0 H GLU B 121 2.085 -7.035 6.705 1.00 0.00 H new ATOM 0 HA GLU B 121 4.893 -6.942 6.859 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.798 -5.572 5.122 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.504 -5.232 4.911 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.233 -7.992 4.672 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.629 -6.950 3.320 1.00 0.00 H new ATOM 1248 N MET B 122 3.388 -4.234 7.984 1.00 0.00 N ATOM 1249 CA MET B 122 3.587 -3.045 8.838 1.00 0.00 C ATOM 1250 C MET B 122 3.968 -3.368 10.298 1.00 0.00 C ATOM 1251 O MET B 122 4.484 -2.491 10.995 1.00 0.00 O ATOM 1252 CB MET B 122 2.313 -2.186 8.826 1.00 0.00 C ATOM 1253 CG MET B 122 2.200 -1.369 7.538 1.00 0.00 C ATOM 1254 SD MET B 122 0.819 -0.200 7.498 1.00 0.00 S ATOM 1255 CE MET B 122 -0.522 -1.373 7.189 1.00 0.00 C ATOM 0 H MET B 122 2.405 -4.454 7.825 1.00 0.00 H new ATOM 0 HA MET B 122 4.434 -2.507 8.412 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.439 -2.829 8.928 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.317 -1.515 9.685 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.129 -0.817 7.392 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.101 -2.055 6.697 1.00 0.00 H new ATOM 0 HE1 MET B 122 -1.416 -1.053 7.725 1.00 0.00 H new ATOM 0 HE2 MET B 122 -0.734 -1.410 6.120 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.226 -2.363 7.535 1.00 0.00 H new ATOM 1349 N SER B 133 -17.379 0.194 5.116 1.00 0.00 N ATOM 1350 CA SER B 133 -17.670 1.605 4.831 1.00 0.00 C ATOM 1351 C SER B 133 -16.598 2.263 3.953 1.00 0.00 C ATOM 1352 O SER B 133 -15.439 1.838 3.942 1.00 0.00 O ATOM 1353 CB SER B 133 -17.791 2.380 6.156 1.00 0.00 C ATOM 1354 OG SER B 133 -18.123 3.745 5.965 1.00 0.00 O ATOM 0 HA SER B 133 -18.609 1.638 4.278 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.552 1.909 6.779 1.00 0.00 H new ATOM 0 HB3 SER B 133 -16.848 2.312 6.699 1.00 0.00 H new ATOM 0 HG SER B 133 -18.189 4.190 6.835 1.00 0.00 H new ATOM 1360 N MET B 134 -16.949 3.383 3.319 1.00 0.00 N ATOM 1361 CA MET B 134 -15.996 4.323 2.709 1.00 0.00 C ATOM 1362 C MET B 134 -14.907 4.768 3.708 1.00 0.00 C ATOM 1363 O MET B 134 -13.749 4.926 3.333 1.00 0.00 O ATOM 1364 CB MET B 134 -16.780 5.533 2.186 1.00 0.00 C ATOM 1365 CG MET B 134 -15.976 6.386 1.191 1.00 0.00 C ATOM 1366 SD MET B 134 -16.370 6.143 -0.565 1.00 0.00 S ATOM 1367 CE MET B 134 -15.925 4.400 -0.813 1.00 0.00 C ATOM 0 H MET B 134 -17.921 3.671 3.211 1.00 0.00 H new ATOM 0 HA MET B 134 -15.480 3.824 1.889 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.693 5.186 1.703 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.082 6.155 3.029 1.00 0.00 H new ATOM 0 HG2 MET B 134 -16.131 7.437 1.436 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.916 6.177 1.337 1.00 0.00 H new ATOM 0 HE1 MET B 134 -16.033 4.143 -1.867 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.892 4.241 -0.504 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.583 3.768 -0.217 1.00 0.00 H new ATOM 1377 N GLN B 135 -15.255 4.889 4.991 1.00 0.00 N ATOM 1378 CA GLN B 135 -14.307 5.223 6.068 1.00 0.00 C ATOM 1379 C GLN B 135 -13.276 4.106 6.327 1.00 0.00 C ATOM 1380 O GLN B 135 -12.145 4.393 6.722 1.00 0.00 O ATOM 1381 CB GLN B 135 -15.077 5.538 7.362 1.00 0.00 C ATOM 1382 CG GLN B 135 -16.048 6.720 7.218 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.753 7.110 8.519 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -16.527 6.575 9.600 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -17.643 8.080 8.473 1.00 0.00 N ATOM 0 H GLN B 135 -16.212 4.757 5.320 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.748 6.100 5.741 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.635 4.653 7.669 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -14.364 5.757 8.157 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -15.500 7.583 6.841 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -16.800 6.469 6.470 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -17.849 8.541 7.587 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -18.126 8.370 9.323 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.639 2.838 6.095 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.761 1.680 6.296 1.00 0.00 C ATOM 1396 C ASP B 136 -11.736 1.530 5.160 1.00 0.00 C ATOM 1397 O ASP B 136 -10.536 1.416 5.420 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.588 0.394 6.466 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.614 0.449 7.616 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.702 -0.159 7.471 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.345 1.080 8.666 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.567 2.585 5.757 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.198 1.853 7.213 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.114 0.188 5.534 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.909 -0.441 6.640 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.191 1.602 3.901 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.305 1.552 2.719 1.00 0.00 C ATOM 1408 C ILE B 137 -10.315 2.723 2.696 1.00 0.00 C ATOM 1409 O ILE B 137 -9.135 2.498 2.431 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.107 1.439 1.398 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.167 1.388 0.167 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.161 2.540 1.223 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.883 1.144 -1.171 1.00 0.00 C ATOM 0 H ILE B 137 -13.180 1.696 3.669 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.712 0.641 2.804 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.651 0.497 1.468 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.619 2.328 0.105 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.431 0.599 0.320 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.683 2.397 0.277 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.877 2.492 2.043 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.673 3.515 1.225 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.150 1.123 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.409 0.190 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.599 1.946 -1.352 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.751 3.944 3.026 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.866 5.117 3.080 1.00 0.00 C ATOM 1427 C GLN B 138 -8.690 4.917 4.045 1.00 0.00 C ATOM 1428 O GLN B 138 -7.543 5.151 3.669 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.658 6.377 3.472 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.341 7.053 2.264 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.290 8.582 2.285 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.269 9.274 2.027 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -10.155 9.180 2.562 1.00 0.00 N ATOM 0 H GLN B 138 -11.722 4.148 3.262 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.453 5.246 2.080 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.415 6.110 4.209 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.985 7.090 3.949 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.868 6.698 1.349 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.383 6.737 2.227 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -9.327 8.626 2.780 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -10.101 10.199 2.559 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.948 4.445 5.269 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.899 4.192 6.264 1.00 0.00 C ATOM 1444 C GLN B 139 -6.994 3.021 5.853 1.00 0.00 C ATOM 1445 O GLN B 139 -5.772 3.157 5.847 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.533 3.940 7.638 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.131 5.224 8.234 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.898 4.929 9.521 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.393 5.071 10.630 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.143 4.515 9.420 1.00 0.00 N ATOM 0 H GLN B 139 -9.889 4.228 5.598 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.266 5.078 6.322 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.313 3.184 7.545 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.781 3.540 8.318 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.334 5.939 8.438 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.798 5.689 7.508 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.568 4.395 8.500 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.683 4.314 10.261 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.573 1.881 5.471 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.813 0.660 5.186 1.00 0.00 C ATOM 1461 C LEU B 140 -5.917 0.791 3.936 1.00 0.00 C ATOM 1462 O LEU B 140 -4.754 0.377 3.964 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.813 -0.508 5.086 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.181 -1.907 5.050 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.454 -2.251 6.354 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.291 -2.939 4.862 1.00 0.00 C ATOM 0 H LEU B 140 -8.580 1.777 5.350 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.112 0.469 5.999 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.494 -0.456 5.935 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.414 -0.375 4.187 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.459 -1.919 4.233 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -6.024 -3.250 6.278 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.659 -1.526 6.529 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -7.161 -2.222 7.183 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.857 -3.939 4.834 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -8.995 -2.871 5.692 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -8.814 -2.744 3.926 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.421 1.418 2.863 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.659 1.687 1.643 1.00 0.00 C ATOM 1480 C LEU B 141 -4.569 2.755 1.848 1.00 0.00 C ATOM 1481 O LEU B 141 -3.461 2.591 1.338 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.647 2.041 0.505 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.046 2.111 -0.914 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.431 0.781 -1.350 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.148 2.440 -1.921 1.00 0.00 C ATOM 0 H LEU B 141 -7.383 1.756 2.822 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.110 0.788 1.361 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.448 1.302 0.503 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.103 3.004 0.733 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.271 2.877 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.022 0.882 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.634 0.505 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.198 0.007 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.722 2.489 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.913 1.664 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.596 3.401 -1.669 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.837 3.790 2.653 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.842 4.808 3.001 1.00 0.00 C ATOM 1499 C ALA B 142 -2.694 4.251 3.868 1.00 0.00 C ATOM 1500 O ALA B 142 -1.536 4.614 3.638 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.532 5.989 3.688 1.00 0.00 C ATOM 0 H ALA B 142 -5.750 3.944 3.081 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.380 5.148 2.074 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.790 6.744 3.946 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.271 6.421 3.013 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.028 5.643 4.595 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.972 3.353 4.830 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.934 2.686 5.645 1.00 0.00 C ATOM 1509 C LYS B 143 -1.006 1.820 4.782 1.00 0.00 C ATOM 1510 O LYS B 143 0.216 1.959 4.874 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.572 1.881 6.791 1.00 0.00 C ATOM 1512 CG LYS B 143 -3.124 2.797 7.893 1.00 0.00 C ATOM 1513 CD LYS B 143 -3.760 2.025 9.062 1.00 0.00 C ATOM 1514 CE LYS B 143 -2.706 1.312 9.925 1.00 0.00 C ATOM 1515 NZ LYS B 143 -3.317 0.675 11.114 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.922 3.067 5.066 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.311 3.460 6.094 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.377 1.262 6.396 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -1.830 1.205 7.217 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -2.317 3.422 8.275 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -3.868 3.467 7.461 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -4.331 2.715 9.684 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -4.465 1.291 8.671 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -2.196 0.556 9.328 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.950 2.029 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -2.578 0.203 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.782 1.401 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -4.021 -0.027 10.809 1.00 0.00 H new ATOM 1529 N SER B 144 -1.571 1.010 3.884 1.00 0.00 N ATOM 1530 CA SER B 144 -0.792 0.228 2.913 1.00 0.00 C ATOM 1531 C SER B 144 0.094 1.110 2.016 1.00 0.00 C ATOM 1532 O SER B 144 1.297 0.872 1.903 1.00 0.00 O ATOM 1533 CB SER B 144 -1.750 -0.622 2.075 1.00 0.00 C ATOM 1534 OG SER B 144 -1.033 -1.520 1.245 1.00 0.00 O ATOM 0 H SER B 144 -2.579 0.876 3.807 1.00 0.00 H new ATOM 0 HA SER B 144 -0.110 -0.418 3.466 1.00 0.00 H new ATOM 0 HB2 SER B 144 -2.417 -1.181 2.732 1.00 0.00 H new ATOM 0 HB3 SER B 144 -2.376 0.026 1.462 1.00 0.00 H new ATOM 0 HG SER B 144 -0.790 -1.070 0.409 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.473 2.193 1.462 1.00 0.00 N ATOM 1541 CA LEU B 145 0.252 3.164 0.626 1.00 0.00 C ATOM 1542 C LEU B 145 1.394 3.863 1.396 1.00 0.00 C ATOM 1543 O LEU B 145 2.506 3.988 0.877 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.794 4.131 0.029 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.337 5.318 -0.843 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.138 6.520 -0.025 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.730 4.948 -1.873 1.00 0.00 C ATOM 0 H LEU B 145 -1.460 2.422 1.583 1.00 0.00 H new ATOM 0 HA LEU B 145 0.769 2.660 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.482 3.535 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.368 4.541 0.860 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.239 5.604 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.445 7.320 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.675 6.872 0.610 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.983 6.225 0.598 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.002 5.833 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.612 4.563 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.338 4.184 -2.545 1.00 0.00 H new ATOM 1559 N THR B 146 1.166 4.254 2.654 1.00 0.00 N ATOM 1560 CA THR B 146 2.188 4.906 3.490 1.00 0.00 C ATOM 1561 C THR B 146 3.389 3.989 3.754 1.00 0.00 C ATOM 1562 O THR B 146 4.528 4.458 3.728 1.00 0.00 O ATOM 1563 CB THR B 146 1.577 5.399 4.816 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.539 6.331 4.570 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.583 6.136 5.704 1.00 0.00 C ATOM 0 H THR B 146 0.270 4.129 3.124 1.00 0.00 H new ATOM 0 HA THR B 146 2.556 5.768 2.934 1.00 0.00 H new ATOM 0 HB THR B 146 1.224 4.497 5.316 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.252 5.859 4.235 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.091 6.457 6.622 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.409 5.468 5.950 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.966 7.008 5.174 1.00 0.00 H new ATOM 1573 N GLU B 147 3.182 2.680 3.932 1.00 0.00 N ATOM 1574 CA GLU B 147 4.281 1.719 4.136 1.00 0.00 C ATOM 1575 C GLU B 147 5.211 1.598 2.916 1.00 0.00 C ATOM 1576 O GLU B 147 6.425 1.464 3.079 1.00 0.00 O ATOM 1577 CB GLU B 147 3.695 0.355 4.544 1.00 0.00 C ATOM 1578 CG GLU B 147 4.734 -0.710 4.943 1.00 0.00 C ATOM 1579 CD GLU B 147 5.577 -0.362 6.188 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.584 -1.064 6.448 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.229 0.587 6.933 1.00 0.00 O1- ATOM 0 H GLU B 147 2.255 2.255 3.939 1.00 0.00 H new ATOM 0 HA GLU B 147 4.911 2.097 4.941 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.013 0.506 5.381 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.102 -0.031 3.715 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.216 -1.652 5.125 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.407 -0.874 4.101 1.00 0.00 H new ATOM 1588 N ILE B 148 4.687 1.737 1.690 1.00 0.00 N ATOM 1589 CA ILE B 148 5.510 1.784 0.464 1.00 0.00 C ATOM 1590 C ILE B 148 6.491 2.965 0.526 1.00 0.00 C ATOM 1591 O ILE B 148 7.684 2.804 0.271 1.00 0.00 O ATOM 1592 CB ILE B 148 4.639 1.907 -0.811 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.607 0.775 -0.965 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.551 1.961 -2.046 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.533 1.092 -2.014 1.00 0.00 C ATOM 0 H ILE B 148 3.685 1.820 1.516 1.00 0.00 H new ATOM 0 HA ILE B 148 6.063 0.846 0.410 1.00 0.00 H new ATOM 0 HB ILE B 148 4.065 2.829 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.121 -0.145 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.127 0.593 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.941 2.048 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE B 148 6.213 2.824 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE B 148 6.147 1.050 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.832 0.260 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.997 1.995 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE B 148 3.006 1.246 -2.984 1.00 0.00 H new ATOM 1607 N LYS B 149 5.989 4.153 0.890 1.00 0.00 N ATOM 1608 CA LYS B 149 6.752 5.413 0.908 1.00 0.00 C ATOM 1609 C LYS B 149 7.852 5.431 1.972 1.00 0.00 C ATOM 1610 O LYS B 149 8.925 5.984 1.712 1.00 0.00 O ATOM 1611 CB LYS B 149 5.776 6.592 1.044 1.00 0.00 C ATOM 1612 CG LYS B 149 4.899 6.696 -0.214 1.00 0.00 C ATOM 1613 CD LYS B 149 3.973 7.916 -0.193 1.00 0.00 C ATOM 1614 CE LYS B 149 3.049 7.952 -1.422 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.810 8.036 -2.696 1.00 0.00 N1+ ATOM 0 H LYS B 149 5.020 4.269 1.187 1.00 0.00 H new ATOM 0 HA LYS B 149 7.285 5.507 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.148 6.456 1.925 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.331 7.519 1.188 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.539 6.747 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.298 5.791 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.370 7.899 0.715 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.572 8.826 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.426 7.058 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.378 8.808 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.175 8.344 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.585 8.721 -2.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.203 7.101 -2.928 1.00 0.00 H new ATOM 1629 N ARG B 150 7.650 4.758 3.112 1.00 0.00 N ATOM 1630 CA ARG B 150 8.706 4.518 4.126 1.00 0.00 C ATOM 1631 C ARG B 150 9.882 3.725 3.550 1.00 0.00 C ATOM 1632 O ARG B 150 11.037 4.126 3.719 1.00 0.00 O ATOM 1633 CB ARG B 150 8.118 3.767 5.339 1.00 0.00 C ATOM 1634 CG ARG B 150 7.111 4.601 6.137 1.00 0.00 C ATOM 1635 CD ARG B 150 6.453 3.726 7.211 1.00 0.00 C ATOM 1636 NE ARG B 150 5.381 4.442 7.933 1.00 0.00 N ATOM 1637 CZ ARG B 150 4.233 3.941 8.349 1.00 0.00 C ATOM 1638 NH1 ARG B 150 3.880 2.703 8.146 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 3.395 4.695 9.001 1.00 0.00 N ATOM 0 H ARG B 150 6.746 4.359 3.366 1.00 0.00 H new ATOM 0 HA ARG B 150 9.081 5.491 4.442 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.631 2.856 4.992 1.00 0.00 H new ATOM 0 HB3 ARG B 150 8.931 3.463 5.998 1.00 0.00 H new ATOM 0 HG2 ARG B 150 7.614 5.449 6.602 1.00 0.00 H new ATOM 0 HG3 ARG B 150 6.351 5.008 5.470 1.00 0.00 H new ATOM 0 HD2 ARG B 150 6.040 2.831 6.746 1.00 0.00 H new ATOM 0 HD3 ARG B 150 7.210 3.395 7.922 1.00 0.00 H new ATOM 0 HE ARG B 150 5.546 5.429 8.131 1.00 0.00 H new ATOM 0 HH11 ARG B 150 4.503 2.071 7.644 1.00 0.00 H new ATOM 0 HH12 ARG B 150 2.980 2.366 8.489 1.00 0.00 H new ATOM 0 HH21 ARG B 150 3.626 5.670 9.189 1.00 0.00 H new ATOM 0 HH22 ARG B 150 2.507 4.310 9.324 1.00 0.00 H new ATOM 1653 N LEU B 151 9.599 2.646 2.818 1.00 0.00 N ATOM 1654 CA LEU B 151 10.628 1.815 2.186 1.00 0.00 C ATOM 1655 C LEU B 151 11.312 2.517 1.004 1.00 0.00 C ATOM 1656 O LEU B 151 12.534 2.425 0.883 1.00 0.00 O ATOM 1657 CB LEU B 151 10.036 0.459 1.760 1.00 0.00 C ATOM 1658 CG LEU B 151 10.046 -0.665 2.817 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.472 -1.145 3.116 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.370 -0.285 4.134 1.00 0.00 C ATOM 0 H LEU B 151 8.647 2.322 2.646 1.00 0.00 H new ATOM 0 HA LEU B 151 11.404 1.641 2.931 1.00 0.00 H new ATOM 0 HB2 LEU B 151 9.005 0.622 1.446 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.584 0.108 0.885 1.00 0.00 H new ATOM 0 HG LEU B 151 9.464 -1.469 2.367 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.440 -1.937 3.865 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.926 -1.528 2.202 1.00 0.00 H new ATOM 0 HD13 LEU B 151 12.065 -0.312 3.494 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.418 -1.127 4.824 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.882 0.572 4.571 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.327 -0.029 3.947 1.00 0.00 H new ATOM 1672 N LYS B 152 10.575 3.262 0.166 1.00 0.00 N ATOM 1673 CA LYS B 152 11.168 4.099 -0.900 1.00 0.00 C ATOM 1674 C LYS B 152 12.128 5.149 -0.332 1.00 0.00 C ATOM 1675 O LYS B 152 13.237 5.301 -0.844 1.00 0.00 O ATOM 1676 CB LYS B 152 10.074 4.767 -1.758 1.00 0.00 C ATOM 1677 CG LYS B 152 9.508 3.815 -2.822 1.00 0.00 C ATOM 1678 CD LYS B 152 8.563 4.536 -3.799 1.00 0.00 C ATOM 1679 CE LYS B 152 8.256 3.677 -5.036 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.286 2.600 -4.733 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.557 3.305 0.204 1.00 0.00 H new ATOM 0 HA LYS B 152 11.748 3.436 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.266 5.108 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.486 5.650 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.330 3.365 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.971 3.002 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.632 4.783 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.014 5.477 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS B 152 7.859 4.311 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.180 3.238 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 7.332 1.873 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.518 2.172 -3.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 6.326 2.998 -4.697 1.00 0.00 H new ATOM 1694 N ALA B 153 11.745 5.816 0.760 1.00 0.00 N ATOM 1695 CA ALA B 153 12.594 6.788 1.452 1.00 0.00 C ATOM 1696 C ALA B 153 13.850 6.143 2.079 1.00 0.00 C ATOM 1697 O ALA B 153 14.948 6.685 1.936 1.00 0.00 O ATOM 1698 CB ALA B 153 11.755 7.526 2.505 1.00 0.00 C ATOM 0 H ALA B 153 10.829 5.695 1.192 1.00 0.00 H new ATOM 0 HA ALA B 153 12.966 7.501 0.717 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.380 8.252 3.025 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.929 8.043 2.016 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.359 6.808 3.223 1.00 0.00 H new ATOM 1704 N ALA B 154 13.725 4.963 2.700 1.00 0.00 N ATOM 1705 CA ALA B 154 14.861 4.217 3.251 1.00 0.00 C ATOM 1706 C ALA B 154 15.863 3.762 2.165 1.00 0.00 C ATOM 1707 O ALA B 154 17.076 3.902 2.339 1.00 0.00 O ATOM 1708 CB ALA B 154 14.312 3.028 4.051 1.00 0.00 C ATOM 0 H ALA B 154 12.827 4.497 2.834 1.00 0.00 H new ATOM 0 HA ALA B 154 15.431 4.876 3.906 1.00 0.00 H new ATOM 0 HB1 ALA B 154 15.141 2.458 4.471 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.678 3.394 4.858 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.727 2.386 3.393 1.00 0.00 H new ATOM 1714 N ASN B 155 15.363 3.266 1.028 1.00 0.00 N ATOM 1715 CA ASN B 155 16.184 2.857 -0.118 1.00 0.00 C ATOM 1716 C ASN B 155 16.924 4.068 -0.733 1.00 0.00 C ATOM 1717 O ASN B 155 18.130 4.025 -0.961 1.00 0.00 O ATOM 1718 CB ASN B 155 15.269 2.124 -1.124 1.00 0.00 C ATOM 1719 CG ASN B 155 16.026 1.239 -2.101 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.085 1.582 -2.607 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.515 0.061 -2.391 1.00 0.00 N ATOM 0 H ASN B 155 14.363 3.135 0.875 1.00 0.00 H new ATOM 0 HA ASN B 155 16.971 2.171 0.195 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.553 1.514 -0.573 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.695 2.862 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.002 -0.562 -3.035 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.632 -0.229 -1.971 1.00 0.00 H new ATOM 1728 N GLN B 156 16.229 5.197 -0.905 1.00 0.00 N ATOM 1729 CA GLN B 156 16.816 6.454 -1.388 1.00 0.00 C ATOM 1730 C GLN B 156 17.882 7.020 -0.423 1.00 0.00 C ATOM 1731 O GLN B 156 18.897 7.560 -0.870 1.00 0.00 O ATOM 1732 CB GLN B 156 15.670 7.447 -1.642 1.00 0.00 C ATOM 1733 CG GLN B 156 16.134 8.777 -2.246 1.00 0.00 C ATOM 1734 CD GLN B 156 14.967 9.608 -2.776 1.00 0.00 C ATOM 1735 OE1 GLN B 156 14.812 9.838 -3.972 1.00 0.00 O ATOM 1736 NE2 GLN B 156 14.084 10.087 -1.922 1.00 0.00 N ATOM 0 H GLN B 156 15.230 5.266 -0.711 1.00 0.00 H new ATOM 0 HA GLN B 156 17.353 6.269 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN B 156 14.943 6.987 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.156 7.644 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.672 9.349 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.836 8.581 -3.057 1.00 0.00 H new ATOM 0 HE21 GLN B 156 14.192 9.909 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN B 156 13.293 10.636 -2.260 1.00 0.00 H new