USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 23 SER OG : rot 180:sc= 0.682 USER MOD Set 1.2: B 127 LYS NZ :NH3+ 170:sc= 0.771 (180deg=0) USER MOD Set 2.1: A 31 MET CE :methyl -164:sc= 0 (180deg=-0.528) USER MOD Set 2.2: B 123 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 38 LYS NZ :NH3+ -164:sc= 0.993 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.89 K(o=3.8,f=-1.6) USER MOD Set 3.3: B 140 GLN : amide:sc= 0.902 K(o=3.8,f=-1.6) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 26:sc= 0.49 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00337 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.718 (180deg=0.648) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.594 K(o=0.59,f=-3.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 128 ASN : amide:sc= 0.0295 K(o=0.03,f=-2.8!) USER MOD Single : B 129 GLN : amide:sc= 0.567 K(o=0.57,f=-4.2!) USER MOD Single : B 131 MET CE :methyl -177:sc= -0.199 (180deg=-0.226) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0216) USER MOD Single : B 139 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.440 7.628 -2.038 1.00 0.00 N ATOM 165 CA TRP A 14 -13.308 7.126 -2.830 1.00 0.00 C ATOM 166 C TRP A 14 -12.529 6.009 -2.118 1.00 0.00 C ATOM 167 O TRP A 14 -11.936 5.154 -2.776 1.00 0.00 O ATOM 168 CB TRP A 14 -12.371 8.297 -3.182 1.00 0.00 C ATOM 169 CG TRP A 14 -11.622 8.937 -2.040 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.959 10.085 -1.413 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.399 8.480 -1.378 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.063 10.350 -0.392 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.090 9.375 -0.310 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.520 7.392 -1.566 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.991 9.185 0.547 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.427 7.176 -0.708 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.162 8.065 0.349 1.00 0.00 C ATOM 0 HA TRP A 14 -13.714 6.685 -3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.641 7.941 -3.909 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.962 9.069 -3.675 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.804 10.706 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.115 11.163 0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.690 6.711 -2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.787 9.886 1.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.786 6.321 -0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.324 7.889 1.007 1.00 0.00 H new ATOM 188 N LYS A 15 -12.547 5.980 -0.775 1.00 0.00 N ATOM 189 CA LYS A 15 -11.834 4.990 0.049 1.00 0.00 C ATOM 190 C LYS A 15 -12.279 3.545 -0.223 1.00 0.00 C ATOM 191 O LYS A 15 -11.450 2.632 -0.239 1.00 0.00 O ATOM 192 CB LYS A 15 -12.047 5.335 1.533 1.00 0.00 C ATOM 193 CG LYS A 15 -11.358 6.642 1.970 1.00 0.00 C ATOM 194 CD LYS A 15 -11.777 7.004 3.400 1.00 0.00 C ATOM 195 CE LYS A 15 -11.066 8.270 3.885 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.629 8.735 5.182 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.069 6.659 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.778 5.041 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.116 5.415 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.672 4.515 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.275 6.527 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.626 7.449 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.856 7.153 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.546 6.176 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.000 8.072 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.167 9.057 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.130 9.594 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.641 8.945 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.510 7.991 5.899 1.00 0.00 H new ATOM 210 N ASP A 16 -13.565 3.332 -0.500 1.00 0.00 N ATOM 211 CA ASP A 16 -14.122 2.004 -0.816 1.00 0.00 C ATOM 212 C ASP A 16 -13.621 1.478 -2.175 1.00 0.00 C ATOM 213 O ASP A 16 -13.259 0.304 -2.297 1.00 0.00 O ATOM 214 CB ASP A 16 -15.659 2.061 -0.799 1.00 0.00 C ATOM 215 CG ASP A 16 -16.287 2.430 0.558 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.614 2.344 1.616 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.497 2.773 0.583 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.260 4.078 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.777 1.309 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.988 2.787 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.046 1.090 -1.108 1.00 0.00 H new ATOM 222 N ASP A 17 -13.531 2.352 -3.188 1.00 0.00 N ATOM 223 CA ASP A 17 -12.902 2.027 -4.474 1.00 0.00 C ATOM 224 C ASP A 17 -11.392 1.787 -4.321 1.00 0.00 C ATOM 225 O ASP A 17 -10.844 0.883 -4.953 1.00 0.00 O ATOM 226 CB ASP A 17 -13.173 3.146 -5.488 1.00 0.00 C ATOM 227 CG ASP A 17 -12.530 2.850 -6.852 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.141 2.100 -7.650 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.427 3.379 -7.136 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.893 3.304 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.343 1.100 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.249 3.270 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.786 4.089 -5.101 1.00 0.00 H new ATOM 234 N TYR A 18 -10.726 2.542 -3.437 1.00 0.00 N ATOM 235 CA TYR A 18 -9.289 2.398 -3.205 1.00 0.00 C ATOM 236 C TYR A 18 -8.945 1.045 -2.564 1.00 0.00 C ATOM 237 O TYR A 18 -8.072 0.335 -3.059 1.00 0.00 O ATOM 238 CB TYR A 18 -8.757 3.595 -2.409 1.00 0.00 C ATOM 239 CG TYR A 18 -7.308 3.908 -2.715 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.971 4.436 -3.977 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.292 3.658 -1.767 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.627 4.665 -4.317 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.943 3.914 -2.094 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.609 4.400 -3.378 1.00 0.00 C ATOM 245 OH TYR A 18 -3.312 4.604 -3.726 1.00 0.00 O ATOM 0 H TYR A 18 -11.168 3.264 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.779 2.400 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.367 4.471 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.863 3.392 -1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.751 4.666 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.547 3.271 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.374 5.044 -5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.167 3.739 -1.364 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.260 5.328 -4.385 1.00 0.00 H new ATOM 255 N LEU A 19 -9.691 0.607 -1.542 1.00 0.00 N ATOM 256 CA LEU A 19 -9.563 -0.744 -0.974 1.00 0.00 C ATOM 257 C LEU A 19 -9.846 -1.852 -2.011 1.00 0.00 C ATOM 258 O LEU A 19 -9.128 -2.852 -2.052 1.00 0.00 O ATOM 259 CB LEU A 19 -10.481 -0.870 0.257 1.00 0.00 C ATOM 260 CG LEU A 19 -9.737 -0.645 1.587 1.00 0.00 C ATOM 261 CD1 LEU A 19 -9.060 0.722 1.699 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.681 -0.797 2.779 1.00 0.00 C ATOM 0 H LEU A 19 -10.401 1.178 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.528 -0.886 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.292 -0.147 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.936 -1.860 0.264 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.960 -1.410 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.559 0.802 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.328 0.832 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.811 1.508 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.128 -0.633 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.485 -0.065 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.104 -1.802 2.782 1.00 0.00 H new ATOM 274 N SER A 20 -10.841 -1.662 -2.889 1.00 0.00 N ATOM 275 CA SER A 20 -11.151 -2.625 -3.956 1.00 0.00 C ATOM 276 C SER A 20 -10.044 -2.727 -5.017 1.00 0.00 C ATOM 277 O SER A 20 -9.691 -3.837 -5.427 1.00 0.00 O ATOM 278 CB SER A 20 -12.480 -2.265 -4.623 1.00 0.00 C ATOM 279 OG SER A 20 -12.875 -3.304 -5.512 1.00 0.00 O ATOM 0 H SER A 20 -11.449 -0.843 -2.881 1.00 0.00 H new ATOM 0 HA SER A 20 -11.225 -3.603 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.248 -2.113 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.380 -1.327 -5.168 1.00 0.00 H new ATOM 0 HG SER A 20 -12.481 -4.152 -5.219 1.00 0.00 H new ATOM 285 N ARG A 21 -9.454 -1.602 -5.449 1.00 0.00 N ATOM 286 CA ARG A 21 -8.400 -1.579 -6.486 1.00 0.00 C ATOM 287 C ARG A 21 -7.023 -2.023 -5.976 1.00 0.00 C ATOM 288 O ARG A 21 -6.291 -2.688 -6.705 1.00 0.00 O ATOM 289 CB ARG A 21 -8.379 -0.216 -7.208 1.00 0.00 C ATOM 290 CG ARG A 21 -7.609 0.907 -6.500 1.00 0.00 C ATOM 291 CD ARG A 21 -7.968 2.292 -7.056 1.00 0.00 C ATOM 292 NE ARG A 21 -7.638 2.429 -8.490 1.00 0.00 N ATOM 293 CZ ARG A 21 -8.441 2.804 -9.475 1.00 0.00 C ATOM 294 NH1 ARG A 21 -9.693 3.124 -9.308 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -7.983 2.853 -10.696 1.00 0.00 N ATOM 0 H ARG A 21 -9.692 -0.677 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.660 -2.336 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.946 -0.358 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.408 0.112 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.826 0.878 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.538 0.738 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.033 2.472 -6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.436 3.056 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.677 2.209 -8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.107 3.094 -8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.259 3.405 -10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.013 2.604 -10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.595 3.141 -11.459 1.00 0.00 H new ATOM 309 N LEU A 22 -6.706 -1.758 -4.706 1.00 0.00 N ATOM 310 CA LEU A 22 -5.487 -2.235 -4.027 1.00 0.00 C ATOM 311 C LEU A 22 -5.411 -3.770 -3.945 1.00 0.00 C ATOM 312 O LEU A 22 -4.321 -4.338 -4.001 1.00 0.00 O ATOM 313 CB LEU A 22 -5.417 -1.608 -2.625 1.00 0.00 C ATOM 314 CG LEU A 22 -4.621 -0.290 -2.528 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.784 0.712 -3.674 1.00 0.00 C ATOM 316 CD2 LEU A 22 -5.020 0.421 -1.235 1.00 0.00 C ATOM 0 H LEU A 22 -7.302 -1.192 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.627 -1.922 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.433 -1.425 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.972 -2.333 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.578 -0.603 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.170 1.591 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.468 0.250 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.830 1.009 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.467 1.356 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.089 0.632 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.789 -0.217 -0.382 1.00 0.00 H new ATOM 328 N SER A 23 -6.559 -4.447 -3.878 1.00 0.00 N ATOM 329 CA SER A 23 -6.666 -5.917 -3.882 1.00 0.00 C ATOM 330 C SER A 23 -6.155 -6.585 -5.172 1.00 0.00 C ATOM 331 O SER A 23 -5.751 -7.752 -5.149 1.00 0.00 O ATOM 332 CB SER A 23 -8.140 -6.300 -3.655 1.00 0.00 C ATOM 333 OG SER A 23 -8.289 -7.693 -3.438 1.00 0.00 O ATOM 0 H SER A 23 -7.465 -3.982 -3.818 1.00 0.00 H new ATOM 0 HA SER A 23 -6.023 -6.283 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.531 -5.753 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.732 -6.000 -4.520 1.00 0.00 H new ATOM 0 HG SER A 23 -9.236 -7.903 -3.296 1.00 0.00 H new ATOM 339 N ARG A 24 -6.172 -5.864 -6.307 1.00 0.00 N ATOM 340 CA ARG A 24 -5.913 -6.423 -7.650 1.00 0.00 C ATOM 341 C ARG A 24 -4.426 -6.582 -7.985 1.00 0.00 C ATOM 342 O ARG A 24 -4.073 -7.390 -8.847 1.00 0.00 O ATOM 343 CB ARG A 24 -6.586 -5.553 -8.736 1.00 0.00 C ATOM 344 CG ARG A 24 -8.015 -5.075 -8.433 1.00 0.00 C ATOM 345 CD ARG A 24 -8.975 -6.178 -7.977 1.00 0.00 C ATOM 346 NE ARG A 24 -10.293 -5.602 -7.645 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.403 -5.630 -8.360 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.504 -6.299 -9.477 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.449 -4.968 -7.961 1.00 0.00 N ATOM 0 H ARG A 24 -6.368 -4.863 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.343 -7.424 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.961 -4.677 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.604 -6.120 -9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.971 -4.308 -7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.423 -4.603 -9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.084 -6.924 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.565 -6.691 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.354 -5.120 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.706 -6.828 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.381 -6.293 -9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.412 -4.428 -7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.307 -4.989 -8.513 1.00 0.00 H new ATOM 363 N LEU A 25 -3.571 -5.813 -7.315 1.00 0.00 N ATOM 364 CA LEU A 25 -2.112 -5.813 -7.516 1.00 0.00 C ATOM 365 C LEU A 25 -1.460 -7.131 -7.055 1.00 0.00 C ATOM 366 O LEU A 25 -1.844 -7.711 -6.036 1.00 0.00 O ATOM 367 CB LEU A 25 -1.453 -4.612 -6.799 1.00 0.00 C ATOM 368 CG LEU A 25 -1.654 -3.196 -7.380 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.505 -3.120 -8.900 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.996 -2.583 -6.990 1.00 0.00 C ATOM 0 H LEU A 25 -3.874 -5.154 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.943 -5.719 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.816 -4.601 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.380 -4.802 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.846 -2.618 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.661 -2.093 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.504 -3.445 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.244 -3.768 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.082 -1.588 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.805 -3.213 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.061 -2.510 -5.904 1.00 0.00 H new ATOM 382 N SER A 26 -0.420 -7.561 -7.778 1.00 0.00 N ATOM 383 CA SER A 26 0.507 -8.622 -7.353 1.00 0.00 C ATOM 384 C SER A 26 1.339 -8.195 -6.129 1.00 0.00 C ATOM 385 O SER A 26 1.449 -7.003 -5.816 1.00 0.00 O ATOM 386 CB SER A 26 1.407 -9.005 -8.537 1.00 0.00 C ATOM 387 OG SER A 26 2.276 -10.071 -8.203 1.00 0.00 O ATOM 0 H SER A 26 -0.192 -7.175 -8.694 1.00 0.00 H new ATOM 0 HA SER A 26 -0.071 -9.493 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.789 -9.291 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.993 -8.139 -8.845 1.00 0.00 H new ATOM 0 HG SER A 26 2.834 -10.293 -8.977 1.00 0.00 H new ATOM 393 N LYS A 27 1.955 -9.158 -5.435 1.00 0.00 N ATOM 394 CA LYS A 27 2.716 -8.948 -4.189 1.00 0.00 C ATOM 395 C LYS A 27 3.904 -7.987 -4.357 1.00 0.00 C ATOM 396 O LYS A 27 4.173 -7.196 -3.458 1.00 0.00 O ATOM 397 CB LYS A 27 3.151 -10.325 -3.645 1.00 0.00 C ATOM 398 CG LYS A 27 3.719 -10.304 -2.218 1.00 0.00 C ATOM 399 CD LYS A 27 2.699 -9.859 -1.153 1.00 0.00 C ATOM 400 CE LYS A 27 3.309 -10.037 0.244 1.00 0.00 C ATOM 401 NZ LYS A 27 2.372 -9.664 1.332 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.940 -10.135 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 27 2.067 -8.455 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.293 -10.997 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.903 -10.743 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.083 -11.300 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.578 -9.634 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.423 -8.816 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.785 -10.447 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.613 -11.076 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.210 -9.429 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.883 -9.640 2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.969 -8.725 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.606 -10.365 1.386 1.00 0.00 H new ATOM 415 N ASN A 28 4.586 -7.998 -5.506 1.00 0.00 N ATOM 416 CA ASN A 28 5.624 -7.015 -5.850 1.00 0.00 C ATOM 417 C ASN A 28 5.041 -5.640 -6.237 1.00 0.00 C ATOM 418 O ASN A 28 5.591 -4.603 -5.864 1.00 0.00 O ATOM 419 CB ASN A 28 6.476 -7.615 -6.988 1.00 0.00 C ATOM 420 CG ASN A 28 7.641 -6.718 -7.370 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.493 -6.381 -6.559 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.718 -6.294 -8.614 1.00 0.00 N ATOM 0 H ASN A 28 4.433 -8.697 -6.233 1.00 0.00 H new ATOM 0 HA ASN A 28 6.242 -6.822 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.856 -8.589 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.846 -7.781 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.486 -5.687 -8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.010 -6.573 -9.293 1.00 0.00 H new ATOM 429 N GLN A 29 3.920 -5.620 -6.963 1.00 0.00 N ATOM 430 CA GLN A 29 3.277 -4.386 -7.438 1.00 0.00 C ATOM 431 C GLN A 29 2.706 -3.539 -6.292 1.00 0.00 C ATOM 432 O GLN A 29 2.883 -2.321 -6.287 1.00 0.00 O ATOM 433 CB GLN A 29 2.168 -4.719 -8.449 1.00 0.00 C ATOM 434 CG GLN A 29 2.675 -5.371 -9.746 1.00 0.00 C ATOM 435 CD GLN A 29 1.537 -5.873 -10.647 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.416 -6.127 -10.222 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.791 -6.066 -11.922 1.00 0.00 N ATOM 0 H GLN A 29 3.426 -6.468 -7.242 1.00 0.00 H new ATOM 0 HA GLN A 29 4.051 -3.791 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.449 -5.388 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.634 -3.803 -8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.277 -4.649 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.329 -6.206 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.718 -5.860 -12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.061 -6.421 -12.539 1.00 0.00 H new ATOM 446 N LEU A 30 2.074 -4.160 -5.287 1.00 0.00 N ATOM 447 CA LEU A 30 1.569 -3.450 -4.103 1.00 0.00 C ATOM 448 C LEU A 30 2.693 -2.838 -3.246 1.00 0.00 C ATOM 449 O LEU A 30 2.486 -1.780 -2.643 1.00 0.00 O ATOM 450 CB LEU A 30 0.607 -4.352 -3.306 1.00 0.00 C ATOM 451 CG LEU A 30 1.202 -5.613 -2.648 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.842 -5.352 -1.275 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.100 -6.661 -2.470 1.00 0.00 C ATOM 0 H LEU A 30 1.899 -5.165 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 30 0.994 -2.590 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.148 -3.748 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.193 -4.667 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 30 1.991 -5.960 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.238 -6.285 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.652 -4.630 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.090 -4.955 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.518 -7.554 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.688 -6.256 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.316 -6.920 -3.443 1.00 0.00 H new ATOM 465 N MET A 31 3.895 -3.429 -3.245 1.00 0.00 N ATOM 466 CA MET A 31 5.063 -2.828 -2.585 1.00 0.00 C ATOM 467 C MET A 31 5.534 -1.575 -3.320 1.00 0.00 C ATOM 468 O MET A 31 5.752 -0.540 -2.692 1.00 0.00 O ATOM 469 CB MET A 31 6.240 -3.807 -2.483 1.00 0.00 C ATOM 470 CG MET A 31 5.997 -5.007 -1.573 1.00 0.00 C ATOM 471 SD MET A 31 7.457 -6.075 -1.452 1.00 0.00 S ATOM 472 CE MET A 31 6.685 -7.710 -1.337 1.00 0.00 C ATOM 0 H MET A 31 4.085 -4.325 -3.695 1.00 0.00 H new ATOM 0 HA MET A 31 4.736 -2.564 -1.579 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.480 -4.170 -3.482 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.114 -3.266 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.720 -4.657 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.155 -5.586 -1.953 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.417 -8.433 -0.977 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.845 -7.668 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.328 -8.014 -2.321 1.00 0.00 H new ATOM 482 N ALA A 32 5.641 -1.637 -4.653 1.00 0.00 N ATOM 483 CA ALA A 32 6.022 -0.490 -5.477 1.00 0.00 C ATOM 484 C ALA A 32 5.019 0.672 -5.349 1.00 0.00 C ATOM 485 O ALA A 32 5.421 1.832 -5.247 1.00 0.00 O ATOM 486 CB ALA A 32 6.169 -0.962 -6.926 1.00 0.00 C ATOM 0 H ALA A 32 5.465 -2.487 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 32 6.975 -0.095 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.453 -0.119 -7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.938 -1.732 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.220 -1.371 -7.273 1.00 0.00 H new ATOM 492 N LEU A 33 3.717 0.366 -5.286 1.00 0.00 N ATOM 493 CA LEU A 33 2.645 1.346 -5.049 1.00 0.00 C ATOM 494 C LEU A 33 2.786 2.027 -3.677 1.00 0.00 C ATOM 495 O LEU A 33 2.828 3.257 -3.610 1.00 0.00 O ATOM 496 CB LEU A 33 1.287 0.640 -5.210 1.00 0.00 C ATOM 497 CG LEU A 33 0.060 1.525 -4.941 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.058 2.676 -5.946 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.211 0.681 -5.032 1.00 0.00 C ATOM 0 H LEU A 33 3.371 -0.587 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 33 2.718 2.147 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.217 0.246 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.256 -0.214 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 33 0.183 1.947 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.940 3.273 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.831 3.304 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.149 2.271 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.080 1.310 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.289 0.247 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.171 -0.117 -4.291 1.00 0.00 H new ATOM 511 N ALA A 34 2.904 1.252 -2.593 1.00 0.00 N ATOM 512 CA ALA A 34 3.051 1.796 -1.243 1.00 0.00 C ATOM 513 C ALA A 34 4.366 2.589 -1.050 1.00 0.00 C ATOM 514 O ALA A 34 4.362 3.653 -0.432 1.00 0.00 O ATOM 515 CB ALA A 34 2.930 0.638 -0.250 1.00 0.00 C ATOM 0 H ALA A 34 2.900 0.233 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 34 2.259 2.524 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.036 1.018 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.954 0.165 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.713 -0.094 -0.448 1.00 0.00 H new ATOM 521 N LEU A 35 5.478 2.128 -1.634 1.00 0.00 N ATOM 522 CA LEU A 35 6.770 2.824 -1.636 1.00 0.00 C ATOM 523 C LEU A 35 6.669 4.175 -2.367 1.00 0.00 C ATOM 524 O LEU A 35 7.098 5.201 -1.829 1.00 0.00 O ATOM 525 CB LEU A 35 7.823 1.872 -2.249 1.00 0.00 C ATOM 526 CG LEU A 35 9.308 2.283 -2.233 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.660 3.489 -3.109 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.800 2.549 -0.816 1.00 0.00 C ATOM 0 H LEU A 35 5.505 1.238 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 35 7.079 3.072 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.742 0.916 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.542 1.697 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 35 9.817 1.421 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.727 3.698 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.410 3.270 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.094 4.359 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.851 2.836 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.215 3.355 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.686 1.646 -0.216 1.00 0.00 H new ATOM 540 N LYS A 36 6.046 4.196 -3.553 1.00 0.00 N ATOM 541 CA LYS A 36 5.796 5.409 -4.345 1.00 0.00 C ATOM 542 C LYS A 36 4.958 6.435 -3.570 1.00 0.00 C ATOM 543 O LYS A 36 5.347 7.601 -3.488 1.00 0.00 O ATOM 544 CB LYS A 36 5.157 5.009 -5.685 1.00 0.00 C ATOM 545 CG LYS A 36 4.881 6.214 -6.597 1.00 0.00 C ATOM 546 CD LYS A 36 4.462 5.811 -8.020 1.00 0.00 C ATOM 547 CE LYS A 36 3.133 5.037 -8.049 1.00 0.00 C ATOM 548 NZ LYS A 36 2.734 4.692 -9.437 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.693 3.350 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 36 6.743 5.908 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.816 4.311 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.222 4.483 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.095 6.825 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.776 6.834 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.370 6.706 -8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.245 5.197 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.229 4.125 -7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.351 5.637 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.834 4.171 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.619 5.564 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.469 4.099 -9.872 1.00 0.00 H new ATOM 562 N LEU A 37 3.874 5.996 -2.926 1.00 0.00 N ATOM 563 CA LEU A 37 3.070 6.845 -2.040 1.00 0.00 C ATOM 564 C LEU A 37 3.896 7.373 -0.848 1.00 0.00 C ATOM 565 O LEU A 37 3.745 8.541 -0.478 1.00 0.00 O ATOM 566 CB LEU A 37 1.847 6.047 -1.535 1.00 0.00 C ATOM 567 CG LEU A 37 0.539 6.328 -2.303 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.600 5.940 -3.782 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.605 5.560 -1.641 1.00 0.00 C ATOM 0 H LEU A 37 3.527 5.040 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 37 2.734 7.711 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.071 4.982 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.691 6.275 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 37 0.379 7.405 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.355 6.166 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.393 6.504 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.805 4.873 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.533 5.754 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.388 4.492 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.711 5.885 -0.606 1.00 0.00 H new ATOM 581 N LYS A 38 4.774 6.549 -0.258 1.00 0.00 N ATOM 582 CA LYS A 38 5.589 6.940 0.901 1.00 0.00 C ATOM 583 C LYS A 38 6.623 8.017 0.555 1.00 0.00 C ATOM 584 O LYS A 38 6.718 9.005 1.275 1.00 0.00 O ATOM 585 CB LYS A 38 6.237 5.703 1.554 1.00 0.00 C ATOM 586 CG LYS A 38 6.885 5.997 2.924 1.00 0.00 C ATOM 587 CD LYS A 38 5.866 6.476 3.971 1.00 0.00 C ATOM 588 CE LYS A 38 6.527 6.761 5.321 1.00 0.00 C ATOM 589 NZ LYS A 38 5.532 7.266 6.305 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.939 5.592 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 38 4.920 7.393 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.480 4.929 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.995 5.302 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.379 5.096 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.657 6.756 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.372 7.378 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.093 5.719 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.991 5.851 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.322 7.495 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.028 7.703 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.921 7.974 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.950 6.475 6.647 1.00 0.00 H new ATOM 603 N GLN A 39 7.348 7.886 -0.558 1.00 0.00 N ATOM 604 CA GLN A 39 8.291 8.929 -0.997 1.00 0.00 C ATOM 605 C GLN A 39 7.569 10.229 -1.408 1.00 0.00 C ATOM 606 O GLN A 39 8.064 11.318 -1.121 1.00 0.00 O ATOM 607 CB GLN A 39 9.258 8.399 -2.075 1.00 0.00 C ATOM 608 CG GLN A 39 8.618 8.063 -3.432 1.00 0.00 C ATOM 609 CD GLN A 39 9.660 7.765 -4.509 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.835 8.513 -5.459 1.00 0.00 O ATOM 611 NE2 GLN A 39 10.399 6.681 -4.405 1.00 0.00 N ATOM 0 H GLN A 39 7.304 7.073 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 39 8.909 9.198 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.038 9.143 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.746 7.503 -1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.961 7.201 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.995 8.898 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.265 6.046 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.105 6.476 -5.112 1.00 0.00 H new ATOM 620 N GLN A 40 6.362 10.147 -1.984 1.00 0.00 N ATOM 621 CA GLN A 40 5.530 11.309 -2.322 1.00 0.00 C ATOM 622 C GLN A 40 5.155 12.142 -1.091 1.00 0.00 C ATOM 623 O GLN A 40 5.350 13.358 -1.101 1.00 0.00 O ATOM 624 CB GLN A 40 4.274 10.848 -3.076 1.00 0.00 C ATOM 625 CG GLN A 40 4.578 10.538 -4.552 1.00 0.00 C ATOM 626 CD GLN A 40 3.465 9.766 -5.265 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.476 9.322 -4.695 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.578 9.574 -6.559 1.00 0.00 N ATOM 0 H GLN A 40 5.930 9.257 -2.232 1.00 0.00 H new ATOM 0 HA GLN A 40 6.120 11.961 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.866 9.960 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.509 11.622 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.754 11.475 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.501 9.961 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.391 9.933 -7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.852 9.066 -7.064 1.00 0.00 H new ATOM 637 N GLN A 41 4.661 11.516 -0.019 1.00 0.00 N ATOM 638 CA GLN A 41 4.287 12.252 1.198 1.00 0.00 C ATOM 639 C GLN A 41 5.490 12.850 1.958 1.00 0.00 C ATOM 640 O GLN A 41 5.308 13.811 2.708 1.00 0.00 O ATOM 641 CB GLN A 41 3.396 11.394 2.110 1.00 0.00 C ATOM 642 CG GLN A 41 4.087 10.168 2.729 1.00 0.00 C ATOM 643 CD GLN A 41 3.326 9.580 3.911 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.895 9.201 4.928 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.016 9.495 3.847 1.00 0.00 N ATOM 0 H GLN A 41 4.510 10.509 0.034 1.00 0.00 H new ATOM 0 HA GLN A 41 3.705 13.112 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.015 12.022 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.534 11.055 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.205 9.401 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.088 10.450 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.525 9.806 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.490 9.118 4.636 1.00 0.00 H new ATOM 901 N LYS B 115 14.301 2.495 1.774 1.00 0.00 N ATOM 902 CA LYS B 115 13.420 1.877 0.762 1.00 0.00 C ATOM 903 C LYS B 115 13.516 0.349 0.729 1.00 0.00 C ATOM 904 O LYS B 115 12.500 -0.325 0.559 1.00 0.00 O ATOM 905 CB LYS B 115 13.754 2.452 -0.623 1.00 0.00 C ATOM 906 CG LYS B 115 13.658 3.987 -0.656 1.00 0.00 C ATOM 907 CD LYS B 115 13.909 4.521 -2.066 1.00 0.00 C ATOM 908 CE LYS B 115 14.025 6.051 -2.064 1.00 0.00 C ATOM 909 NZ LYS B 115 15.377 6.492 -1.630 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.394 2.117 1.041 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.761 2.147 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.073 2.031 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.671 4.301 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.385 4.415 0.034 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.824 4.084 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.096 4.216 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS B 115 13.819 6.434 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.272 6.474 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 15.423 7.531 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.563 6.146 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 16.093 6.108 -2.280 1.00 0.00 H new ATOM 923 N ASP B 116 14.711 -0.203 0.930 1.00 0.00 N ATOM 924 CA ASP B 116 14.952 -1.655 0.969 1.00 0.00 C ATOM 925 C ASP B 116 14.318 -2.305 2.209 1.00 0.00 C ATOM 926 O ASP B 116 13.694 -3.366 2.109 1.00 0.00 O ATOM 927 CB ASP B 116 16.463 -1.946 0.936 1.00 0.00 C ATOM 928 CG ASP B 116 17.194 -1.470 -0.334 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.546 -1.209 -1.380 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.446 -1.396 -0.299 1.00 0.00 O1- ATOM 0 H ASP B 116 15.556 0.350 1.073 1.00 0.00 H new ATOM 0 HA ASP B 116 14.481 -2.090 0.087 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.927 -1.474 1.802 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.612 -3.021 1.041 1.00 0.00 H new ATOM 935 N ASP B 117 14.418 -1.650 3.372 1.00 0.00 N ATOM 936 CA ASP B 117 13.735 -2.074 4.598 1.00 0.00 C ATOM 937 C ASP B 117 12.205 -1.909 4.492 1.00 0.00 C ATOM 938 O ASP B 117 11.460 -2.733 5.028 1.00 0.00 O ATOM 939 CB ASP B 117 14.268 -1.279 5.805 1.00 0.00 C ATOM 940 CG ASP B 117 15.764 -1.478 6.100 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.347 -2.532 5.742 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.365 -0.586 6.749 1.00 0.00 O1- ATOM 0 H ASP B 117 14.979 -0.806 3.488 1.00 0.00 H new ATOM 0 HA ASP B 117 13.944 -3.134 4.739 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.084 -0.218 5.633 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.697 -1.562 6.689 1.00 0.00 H new ATOM 947 N TYR B 118 11.727 -0.890 3.765 1.00 0.00 N ATOM 948 CA TYR B 118 10.302 -0.669 3.523 1.00 0.00 C ATOM 949 C TYR B 118 9.687 -1.794 2.674 1.00 0.00 C ATOM 950 O TYR B 118 8.685 -2.381 3.075 1.00 0.00 O ATOM 951 CB TYR B 118 10.071 0.717 2.902 1.00 0.00 C ATOM 952 CG TYR B 118 8.716 1.314 3.246 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.728 1.504 2.259 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.459 1.692 4.579 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.480 2.064 2.610 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.210 2.237 4.933 1.00 0.00 C ATOM 957 CZ TYR B 118 6.216 2.421 3.953 1.00 0.00 C ATOM 958 OH TYR B 118 5.008 2.945 4.292 1.00 0.00 O ATOM 0 H TYR B 118 12.327 -0.192 3.326 1.00 0.00 H new ATOM 0 HA TYR B 118 9.787 -0.693 4.483 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.855 1.394 3.241 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.162 0.641 1.818 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.925 1.222 1.235 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.223 1.563 5.332 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.726 2.220 1.852 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.014 2.514 5.958 1.00 0.00 H new ATOM 0 HH TYR B 118 4.992 3.134 5.253 1.00 0.00 H new ATOM 968 N LEU B 119 10.333 -2.189 1.565 1.00 0.00 N ATOM 969 CA LEU B 119 9.924 -3.363 0.787 1.00 0.00 C ATOM 970 C LEU B 119 9.974 -4.660 1.621 1.00 0.00 C ATOM 971 O LEU B 119 9.051 -5.476 1.545 1.00 0.00 O ATOM 972 CB LEU B 119 10.817 -3.480 -0.470 1.00 0.00 C ATOM 973 CG LEU B 119 10.141 -2.908 -1.731 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.788 -1.421 -1.627 1.00 0.00 C ATOM 975 CD2 LEU B 119 11.035 -3.116 -2.949 1.00 0.00 C ATOM 0 H LEU B 119 11.148 -1.705 1.187 1.00 0.00 H new ATOM 0 HA LEU B 119 8.885 -3.228 0.485 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.756 -2.954 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU B 119 11.065 -4.528 -0.639 1.00 0.00 H new ATOM 0 HG LEU B 119 9.204 -3.454 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.316 -1.093 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.100 -1.268 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.696 -0.842 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.546 -2.708 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.986 -2.608 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.212 -4.182 -3.092 1.00 0.00 H new ATOM 987 N SER B 120 11.003 -4.830 2.459 1.00 0.00 N ATOM 988 CA SER B 120 11.125 -5.994 3.344 1.00 0.00 C ATOM 989 C SER B 120 9.961 -6.105 4.344 1.00 0.00 C ATOM 990 O SER B 120 9.353 -7.175 4.460 1.00 0.00 O ATOM 991 CB SER B 120 12.474 -5.952 4.063 1.00 0.00 C ATOM 992 OG SER B 120 12.651 -7.096 4.883 1.00 0.00 O ATOM 0 H SER B 120 11.773 -4.166 2.543 1.00 0.00 H new ATOM 0 HA SER B 120 11.074 -6.890 2.725 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.279 -5.898 3.330 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.537 -5.051 4.672 1.00 0.00 H new ATOM 0 HG SER B 120 13.521 -7.046 5.331 1.00 0.00 H new ATOM 998 N ARG B 121 9.589 -5.009 5.029 1.00 0.00 N ATOM 999 CA ARG B 121 8.478 -5.001 6.008 1.00 0.00 C ATOM 1000 C ARG B 121 7.090 -5.073 5.365 1.00 0.00 C ATOM 1001 O ARG B 121 6.226 -5.777 5.884 1.00 0.00 O ATOM 1002 CB ARG B 121 8.619 -3.827 6.996 1.00 0.00 C ATOM 1003 CG ARG B 121 8.221 -2.450 6.440 1.00 0.00 C ATOM 1004 CD ARG B 121 8.450 -1.313 7.444 1.00 0.00 C ATOM 1005 NE ARG B 121 7.564 -1.422 8.622 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.299 -1.047 8.708 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.662 -0.510 7.703 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.643 -1.209 9.819 1.00 0.00 N ATOM 0 H ARG B 121 10.047 -4.104 4.923 1.00 0.00 H new ATOM 0 HA ARG B 121 8.562 -5.925 6.581 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.008 -4.037 7.874 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.655 -3.779 7.333 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.794 -2.250 5.535 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.169 -2.469 6.154 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.490 -1.323 7.771 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.280 -0.356 6.951 1.00 0.00 H new ATOM 0 HE ARG B 121 7.974 -1.832 9.461 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.140 -0.367 6.814 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.686 -0.233 7.807 1.00 0.00 H new ATOM 0 HH21 ARG B 121 6.104 -1.626 10.627 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.667 -0.919 9.882 1.00 0.00 H new ATOM 1022 N LEU B 122 6.881 -4.420 4.220 1.00 0.00 N ATOM 1023 CA LEU B 122 5.610 -4.439 3.471 1.00 0.00 C ATOM 1024 C LEU B 122 5.201 -5.855 3.026 1.00 0.00 C ATOM 1025 O LEU B 122 4.016 -6.191 3.025 1.00 0.00 O ATOM 1026 CB LEU B 122 5.707 -3.495 2.256 1.00 0.00 C ATOM 1027 CG LEU B 122 5.188 -2.056 2.467 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.544 -1.373 3.788 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.706 -1.195 1.318 1.00 0.00 C ATOM 0 H LEU B 122 7.600 -3.851 3.774 1.00 0.00 H new ATOM 0 HA LEU B 122 4.829 -4.090 4.146 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.751 -3.441 1.947 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.153 -3.941 1.430 1.00 0.00 H new ATOM 0 HG LEU B 122 4.103 -2.150 2.497 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.118 -0.370 3.805 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.140 -1.953 4.618 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.628 -1.309 3.884 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.353 -0.171 1.443 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.796 -1.206 1.318 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.339 -1.592 0.372 1.00 0.00 H new ATOM 1041 N SER B 123 6.179 -6.710 2.717 1.00 0.00 N ATOM 1042 CA SER B 123 5.964 -8.130 2.408 1.00 0.00 C ATOM 1043 C SER B 123 5.268 -8.910 3.539 1.00 0.00 C ATOM 1044 O SER B 123 4.501 -9.842 3.277 1.00 0.00 O ATOM 1045 CB SER B 123 7.316 -8.777 2.066 1.00 0.00 C ATOM 1046 OG SER B 123 7.120 -10.081 1.552 1.00 0.00 O ATOM 0 H SER B 123 7.160 -6.433 2.673 1.00 0.00 H new ATOM 0 HA SER B 123 5.287 -8.176 1.555 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.845 -8.166 1.334 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.942 -8.820 2.957 1.00 0.00 H new ATOM 0 HG SER B 123 7.988 -10.482 1.337 1.00 0.00 H new ATOM 1052 N ARG B 124 5.468 -8.506 4.802 1.00 0.00 N ATOM 1053 CA ARG B 124 4.951 -9.212 5.994 1.00 0.00 C ATOM 1054 C ARG B 124 3.447 -9.017 6.235 1.00 0.00 C ATOM 1055 O ARG B 124 2.834 -9.844 6.915 1.00 0.00 O ATOM 1056 CB ARG B 124 5.734 -8.764 7.246 1.00 0.00 C ATOM 1057 CG ARG B 124 7.268 -8.886 7.141 1.00 0.00 C ATOM 1058 CD ARG B 124 7.756 -10.293 6.760 1.00 0.00 C ATOM 1059 NE ARG B 124 7.329 -11.304 7.747 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.126 -12.594 7.541 1.00 0.00 C ATOM 1061 NH1 ARG B 124 7.307 -13.149 6.374 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 6.735 -13.364 8.517 1.00 0.00 N ATOM 0 H ARG B 124 6.001 -7.667 5.032 1.00 0.00 H new ATOM 0 HA ARG B 124 5.096 -10.275 5.801 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.482 -7.725 7.460 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.396 -9.355 8.097 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.629 -8.174 6.400 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.711 -8.605 8.096 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.369 -10.559 5.776 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.843 -10.293 6.686 1.00 0.00 H new ATOM 0 HE ARG B 124 7.173 -10.969 8.698 1.00 0.00 H new ATOM 0 HH11 ARG B 124 7.615 -12.584 5.583 1.00 0.00 H new ATOM 0 HH12 ARG B 124 7.140 -14.148 6.253 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.584 -12.972 9.447 1.00 0.00 H new ATOM 0 HH22 ARG B 124 6.580 -14.358 8.351 1.00 0.00 H new ATOM 1076 N LEU B 125 2.842 -7.955 5.703 1.00 0.00 N ATOM 1077 CA LEU B 125 1.411 -7.669 5.872 1.00 0.00 C ATOM 1078 C LEU B 125 0.521 -8.625 5.057 1.00 0.00 C ATOM 1079 O LEU B 125 0.825 -8.965 3.909 1.00 0.00 O ATOM 1080 CB LEU B 125 1.091 -6.204 5.514 1.00 0.00 C ATOM 1081 CG LEU B 125 1.553 -5.085 6.474 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.572 -5.491 7.951 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.925 -4.546 6.096 1.00 0.00 C ATOM 0 H LEU B 125 3.332 -7.262 5.138 1.00 0.00 H new ATOM 0 HA LEU B 125 1.184 -7.831 6.926 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.527 -6.001 4.536 1.00 0.00 H new ATOM 0 HB3 LEU B 125 0.010 -6.120 5.405 1.00 0.00 H new ATOM 0 HG LEU B 125 0.799 -4.306 6.358 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.908 -4.649 8.556 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.569 -5.783 8.261 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.253 -6.331 8.089 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.213 -3.761 6.796 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.656 -5.353 6.135 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.890 -4.137 5.086 1.00 0.00 H new ATOM 1095 N SER B 126 -0.628 -8.986 5.641 1.00 0.00 N ATOM 1096 CA SER B 126 -1.777 -9.595 4.950 1.00 0.00 C ATOM 1097 C SER B 126 -2.539 -8.557 4.106 1.00 0.00 C ATOM 1098 O SER B 126 -2.368 -7.347 4.289 1.00 0.00 O ATOM 1099 CB SER B 126 -2.731 -10.224 5.975 1.00 0.00 C ATOM 1100 OG SER B 126 -2.098 -11.292 6.665 1.00 0.00 O ATOM 0 H SER B 126 -0.791 -8.859 6.640 1.00 0.00 H new ATOM 0 HA SER B 126 -1.395 -10.366 4.281 1.00 0.00 H new ATOM 0 HB2 SER B 126 -3.056 -9.467 6.688 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.624 -10.591 5.470 1.00 0.00 H new ATOM 0 HG SER B 126 -2.722 -11.678 7.314 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.411 -9.004 3.187 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.124 -8.119 2.240 1.00 0.00 C ATOM 1108 C LYS B 127 -4.983 -7.037 2.904 1.00 0.00 C ATOM 1109 O LYS B 127 -4.967 -5.897 2.453 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.925 -8.953 1.222 1.00 0.00 C ATOM 1111 CG LYS B 127 -4.015 -9.406 0.064 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.773 -10.133 -1.053 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.735 -9.184 -1.780 1.00 0.00 C ATOM 1114 NZ LYS B 127 -6.352 -9.815 -2.970 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.644 -9.991 3.077 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.353 -7.560 1.709 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -5.357 -9.824 1.715 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.755 -8.363 0.832 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -3.511 -8.535 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -3.240 -10.065 0.456 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -4.062 -10.551 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -5.332 -10.969 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -6.519 -8.867 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.196 -8.287 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -7.115 -9.206 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.631 -9.941 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.744 -10.742 -2.708 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.659 -7.339 4.010 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.414 -6.345 4.786 1.00 0.00 C ATOM 1130 C ASN B 128 -5.508 -5.296 5.465 1.00 0.00 C ATOM 1131 O ASN B 128 -5.889 -4.129 5.582 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.302 -7.078 5.817 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.537 -7.853 6.889 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.533 -8.507 6.639 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -6.975 -7.800 8.125 1.00 0.00 N ATOM 0 H ASN B 128 -5.702 -8.281 4.398 1.00 0.00 H new ATOM 0 HA ASN B 128 -7.042 -5.783 4.095 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.944 -6.346 6.307 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.955 -7.770 5.285 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -6.480 -8.300 8.863 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.810 -7.259 8.347 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.296 -5.679 5.888 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.321 -4.804 6.554 1.00 0.00 C ATOM 1144 C GLN B 129 -2.590 -3.883 5.561 1.00 0.00 C ATOM 1145 O GLN B 129 -2.474 -2.681 5.809 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.315 -5.662 7.334 1.00 0.00 C ATOM 1147 CG GLN B 129 -2.940 -6.422 8.517 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.040 -7.532 9.071 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.179 -8.089 8.399 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.224 -7.918 10.315 1.00 0.00 N ATOM 0 H GLN B 129 -3.957 -6.634 5.773 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.865 -4.156 7.242 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.857 -6.380 6.653 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.516 -5.021 7.706 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.165 -5.715 9.315 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.888 -6.857 8.200 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -2.936 -7.466 10.889 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.655 -8.669 10.705 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.126 -4.409 4.416 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.471 -3.603 3.371 1.00 0.00 C ATOM 1161 C LEU B 130 -2.446 -2.607 2.717 1.00 0.00 C ATOM 1162 O LEU B 130 -2.026 -1.516 2.334 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.745 -4.506 2.348 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.630 -5.416 1.478 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.101 -4.762 0.175 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.877 -6.704 1.130 1.00 0.00 C ATOM 0 H LEU B 130 -2.193 -5.401 4.188 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.704 -2.992 3.847 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.159 -3.868 1.686 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.039 -5.135 2.890 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.517 -5.623 2.077 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.719 -5.466 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.684 -3.870 0.405 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.235 -4.484 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.512 -7.341 0.514 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.032 -6.457 0.581 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.614 -7.231 2.047 1.00 0.00 H new ATOM 1178 N MET B 131 -3.746 -2.933 2.660 1.00 0.00 N ATOM 1179 CA MET B 131 -4.800 -1.993 2.254 1.00 0.00 C ATOM 1180 C MET B 131 -4.895 -0.806 3.219 1.00 0.00 C ATOM 1181 O MET B 131 -4.843 0.336 2.778 1.00 0.00 O ATOM 1182 CB MET B 131 -6.162 -2.694 2.176 1.00 0.00 C ATOM 1183 CG MET B 131 -6.352 -3.507 0.899 1.00 0.00 C ATOM 1184 SD MET B 131 -7.870 -4.501 0.917 1.00 0.00 S ATOM 1185 CE MET B 131 -7.322 -5.830 -0.179 1.00 0.00 C ATOM 0 H MET B 131 -4.097 -3.861 2.896 1.00 0.00 H new ATOM 0 HA MET B 131 -4.531 -1.620 1.266 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.273 -3.353 3.037 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.952 -1.946 2.243 1.00 0.00 H new ATOM 0 HG2 MET B 131 -6.376 -2.831 0.044 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.494 -4.165 0.762 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.142 -6.529 -0.342 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.010 -5.408 -1.134 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.483 -6.355 0.277 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.992 -1.063 4.528 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.086 -0.015 5.550 1.00 0.00 C ATOM 1197 C ALA B 132 -3.834 0.890 5.564 1.00 0.00 C ATOM 1198 O ALA B 132 -3.956 2.113 5.678 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.317 -0.683 6.911 1.00 0.00 C ATOM 0 H ALA B 132 -5.008 -2.009 4.910 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.926 0.640 5.318 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.390 0.082 7.684 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.242 -1.258 6.882 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.483 -1.348 7.136 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.642 0.308 5.381 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.366 1.032 5.256 1.00 0.00 C ATOM 1207 C LEU B 133 -1.369 1.967 4.031 1.00 0.00 C ATOM 1208 O LEU B 133 -1.129 3.169 4.171 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.229 -0.016 5.236 1.00 0.00 C ATOM 1210 CG LEU B 133 1.235 0.463 5.171 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.671 0.969 3.793 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.548 1.532 6.223 1.00 0.00 C ATOM 0 H LEU B 133 -2.533 -0.704 5.314 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.209 1.694 6.107 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.334 -0.631 6.130 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.399 -0.668 4.379 1.00 0.00 H new ATOM 0 HG LEU B 133 1.812 -0.436 5.385 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.713 1.286 3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.565 0.168 3.061 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.046 1.813 3.501 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.591 1.835 6.135 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.904 2.397 6.065 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.372 1.125 7.219 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.695 1.451 2.843 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.742 2.246 1.611 1.00 0.00 C ATOM 1226 C ALA B 134 -2.849 3.322 1.643 1.00 0.00 C ATOM 1227 O ALA B 134 -2.625 4.436 1.180 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.902 1.284 0.434 1.00 0.00 C ATOM 0 H ALA B 134 -1.934 0.469 2.707 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.812 2.805 1.504 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.940 1.851 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.055 0.598 0.407 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.825 0.716 0.551 1.00 0.00 H new ATOM 1234 N LEU B 135 -4.012 3.030 2.239 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.112 3.988 2.442 1.00 0.00 C ATOM 1236 C LEU B 135 -4.689 5.150 3.362 1.00 0.00 C ATOM 1237 O LEU B 135 -4.915 6.317 3.032 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.328 3.203 2.988 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.715 3.880 2.986 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.846 5.110 3.884 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.145 4.259 1.569 1.00 0.00 C ATOM 0 H LEU B 135 -4.221 2.100 2.603 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.386 4.458 1.497 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.411 2.281 2.412 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.102 2.918 4.016 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.374 3.119 3.405 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.858 5.509 3.809 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.642 4.830 4.917 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.132 5.870 3.567 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -9.126 4.734 1.601 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.420 4.952 1.142 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.196 3.362 0.952 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.012 4.843 4.476 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.453 5.829 5.416 1.00 0.00 C ATOM 1255 C LYS B 136 -2.460 6.774 4.739 1.00 0.00 C ATOM 1256 O LYS B 136 -2.578 7.991 4.888 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.832 5.077 6.609 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.228 6.013 7.667 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.825 5.279 8.956 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.707 4.252 8.714 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.310 3.567 9.974 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.832 3.879 4.757 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.254 6.471 5.781 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.596 4.456 7.076 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.056 4.405 6.242 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.352 6.509 7.248 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -2.950 6.793 7.910 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.494 6.006 9.698 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.697 4.774 9.372 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.043 3.512 7.987 1.00 0.00 H new ATOM 0 HE3 LYS B 136 0.160 4.752 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.446 2.882 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 0.034 4.271 10.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.132 3.069 10.372 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.538 6.243 3.930 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.617 7.051 3.117 1.00 0.00 C ATOM 1277 C LEU B 137 -1.360 7.892 2.062 1.00 0.00 C ATOM 1278 O LEU B 137 -1.017 9.057 1.862 1.00 0.00 O ATOM 1279 CB LEU B 137 0.390 6.111 2.426 1.00 0.00 C ATOM 1280 CG LEU B 137 1.719 5.877 3.166 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.581 5.432 4.622 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.496 4.808 2.407 1.00 0.00 C ATOM 0 H LEU B 137 -1.407 5.238 3.819 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.100 7.748 3.776 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.092 5.145 2.273 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.614 6.515 1.439 1.00 0.00 H new ATOM 0 HG LEU B 137 2.228 6.840 3.196 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.571 5.294 5.056 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.041 6.193 5.185 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.032 4.491 4.664 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.445 4.621 2.910 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.914 3.887 2.377 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.686 5.150 1.390 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.386 7.332 1.408 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.189 7.989 0.363 1.00 0.00 C ATOM 1296 C LYS B 138 -3.934 9.217 0.890 1.00 0.00 C ATOM 1297 O LYS B 138 -3.838 10.282 0.276 1.00 0.00 O ATOM 1298 CB LYS B 138 -4.133 6.954 -0.276 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.994 7.486 -1.431 1.00 0.00 C ATOM 1300 CD LYS B 138 -4.181 8.021 -2.620 1.00 0.00 C ATOM 1301 CE LYS B 138 -5.023 8.159 -3.896 1.00 0.00 C ATOM 1302 NZ LYS B 138 -6.240 8.996 -3.697 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.692 6.377 1.597 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.520 8.370 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.537 6.118 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.793 6.560 0.497 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.648 6.687 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.636 8.282 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -3.760 8.992 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -3.343 7.352 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.411 8.598 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -5.321 7.168 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -6.716 9.140 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -6.888 8.516 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -5.966 9.918 -3.301 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.619 9.120 2.033 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.304 10.278 2.636 1.00 0.00 C ATOM 1318 C GLN B 139 -4.311 11.342 3.146 1.00 0.00 C ATOM 1319 O GLN B 139 -4.587 12.534 3.034 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.308 9.824 3.712 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.682 9.188 4.957 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.716 8.867 6.028 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.449 7.778 5.898 1.00 0.00 O flip ATOM 1324 NE2 GLN B 139 -6.896 9.592 6.999 1.00 0.00 N flip ATOM 0 H GLN B 139 -4.717 8.254 2.563 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.880 10.771 1.853 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.900 10.686 4.021 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.997 9.108 3.265 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.162 8.273 4.672 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.934 9.864 5.370 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.338 10.438 7.114 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.604 9.350 7.692 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.131 10.941 3.635 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.062 11.862 4.056 1.00 0.00 C ATOM 1335 C GLN B 140 -1.529 12.707 2.895 1.00 0.00 C ATOM 1336 O GLN B 140 -1.482 13.932 3.003 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.939 11.067 4.736 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.319 10.655 6.169 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.453 9.532 6.751 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.444 8.974 6.131 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.688 9.154 7.990 1.00 0.00 N ATOM 0 H GLN B 140 -2.887 9.958 3.752 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.484 12.567 4.772 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.717 10.176 4.148 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.030 11.668 4.759 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.246 11.528 6.817 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.362 10.337 6.179 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.429 9.603 8.528 1.00 0.00 H new ATOM 0 HE22 GLN B 140 -0.129 8.413 8.412 1.00 0.00 H new