USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 559 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 246 GLN : amide:sc= -0.712 K(o=-0.95,f=0.12) USER MOD Set 1.2: A 298 THR OG1 : rot -90:sc= -0.242 USER MOD Set 1.3: A 314 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 248 THR OG1 : rot 175:sc= 0.227 USER MOD Set 2.2: A 312 THR OG1 : rot -122:sc= 0.514 USER MOD Set 3.1: A 232 THR OG1 : rot 130:sc= 0.977 USER MOD Set 3.2: A 250 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 310 THR OG1 : rot 180:sc= -2.47! USER MOD Single : A 227 THR OG1 : rot 180:sc=0.000572 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 156:sc= -0.0843 (180deg=-0.488) USER MOD Single : A 233 GLN : amide:sc= -0.355 K(o=-0.36,f=-4!) USER MOD Single : A 235 THR OG1 : rot 2:sc= 0.556 USER MOD Single : A 237 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 238 TYR OH : rot -161:sc= -0.626 USER MOD Single : A 239 ASN : amide:sc= -0.979 K(o=-0.98,f=-5.6!) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 245 TYR OH : rot 180:sc= 0 USER MOD Single : A 252 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : A 259 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 LYS NZ :NH3+ -158:sc= 1.18 (180deg=1.03) USER MOD Single : A 267 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 269 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.878) USER MOD Single : A 271 THR OG1 : rot 41:sc= -0.872! USER MOD Single : A 272 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.41) USER MOD Single : A 292 SER OG : rot 37:sc= 0.011 USER MOD Single : A 294 THR OG1 : rot 180:sc= 0 USER MOD Single : A 296 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 302 ASN : amide:sc=-0.00557 X(o=-0.0056,f=-0.0056) USER MOD Single : A 303 SER OG : rot 69:sc= 1.02 USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 340 SER OG : rot 13:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 47 N GLY A 226 12.972 -4.246 -7.528 1.00 0.00 N ATOM 48 CA GLY A 226 12.351 -5.508 -7.880 1.00 0.00 C ATOM 49 C GLY A 226 11.336 -5.988 -6.857 1.00 0.00 C ATOM 50 O GLY A 226 11.057 -5.305 -5.871 1.00 0.00 O ATOM 0 HA2 GLY A 226 11.860 -5.405 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 226 13.126 -6.266 -7.995 1.00 0.00 H new ATOM 54 N THR A 227 10.789 -7.171 -7.098 1.00 0.00 N ATOM 55 CA THR A 227 9.764 -7.745 -6.242 1.00 0.00 C ATOM 56 C THR A 227 10.315 -8.057 -4.851 1.00 0.00 C ATOM 57 O THR A 227 11.380 -8.663 -4.716 1.00 0.00 O ATOM 58 CB THR A 227 9.212 -9.038 -6.861 1.00 0.00 C ATOM 59 OG1 THR A 227 8.965 -8.839 -8.263 1.00 0.00 O ATOM 60 CG2 THR A 227 7.924 -9.479 -6.174 1.00 0.00 C ATOM 0 H THR A 227 11.044 -7.758 -7.892 1.00 0.00 H new ATOM 0 HA THR A 227 8.965 -7.009 -6.150 1.00 0.00 H new ATOM 0 HB THR A 227 9.957 -9.821 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 227 8.615 -9.666 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 227 7.561 -10.397 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 227 8.119 -9.658 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 227 7.171 -8.698 -6.277 1.00 0.00 H new ATOM 68 N LEU A 228 9.582 -7.646 -3.831 1.00 0.00 N ATOM 69 CA LEU A 228 9.999 -7.816 -2.449 1.00 0.00 C ATOM 70 C LEU A 228 8.802 -8.279 -1.609 1.00 0.00 C ATOM 71 O LEU A 228 7.730 -8.536 -2.151 1.00 0.00 O ATOM 72 CB LEU A 228 10.585 -6.491 -1.933 1.00 0.00 C ATOM 73 CG LEU A 228 11.779 -5.918 -2.752 1.00 0.00 C ATOM 74 CD1 LEU A 228 12.019 -4.456 -2.393 1.00 0.00 C ATOM 75 CD2 LEU A 228 13.066 -6.729 -2.565 1.00 0.00 C ATOM 0 H LEU A 228 8.679 -7.184 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 228 10.773 -8.579 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 228 9.790 -5.746 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 228 10.911 -6.635 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 228 11.505 -5.992 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 228 12.857 -4.071 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 228 11.125 -3.875 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 228 12.247 -4.375 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 228 13.865 -6.285 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 228 13.350 -6.724 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 228 12.900 -7.756 -2.891 1.00 0.00 H new ATOM 87 N THR A 229 8.985 -8.405 -0.302 1.00 0.00 N ATOM 88 CA THR A 229 7.985 -9.011 0.568 1.00 0.00 C ATOM 89 C THR A 229 7.213 -7.966 1.397 1.00 0.00 C ATOM 90 O THR A 229 7.751 -6.916 1.754 1.00 0.00 O ATOM 91 CB THR A 229 8.692 -9.996 1.512 1.00 0.00 C ATOM 92 OG1 THR A 229 9.378 -10.991 0.737 1.00 0.00 O ATOM 93 CG2 THR A 229 7.725 -10.679 2.475 1.00 0.00 C ATOM 0 H THR A 229 9.826 -8.092 0.184 1.00 0.00 H new ATOM 0 HA THR A 229 7.256 -9.523 -0.060 1.00 0.00 H new ATOM 0 HB THR A 229 9.399 -9.423 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.831 -11.619 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 229 8.276 -11.364 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 229 7.228 -9.926 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 229 6.979 -11.235 1.908 1.00 0.00 H new ATOM 101 N VAL A 230 5.948 -8.270 1.696 1.00 0.00 N ATOM 102 CA VAL A 230 5.110 -7.426 2.547 1.00 0.00 C ATOM 103 C VAL A 230 5.066 -7.980 3.974 1.00 0.00 C ATOM 104 O VAL A 230 4.871 -9.181 4.167 1.00 0.00 O ATOM 105 CB VAL A 230 3.660 -7.352 2.002 1.00 0.00 C ATOM 106 CG1 VAL A 230 2.736 -6.660 2.997 1.00 0.00 C ATOM 107 CG2 VAL A 230 3.616 -6.619 0.667 1.00 0.00 C ATOM 0 H VAL A 230 5.477 -9.108 1.355 1.00 0.00 H new ATOM 0 HA VAL A 230 5.548 -6.428 2.549 1.00 0.00 H new ATOM 0 HB VAL A 230 3.314 -8.375 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 230 1.726 -6.622 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 230 2.728 -7.216 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 230 3.092 -5.646 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.588 -6.581 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 230 3.993 -5.604 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 230 4.235 -7.147 -0.058 1.00 0.00 H new ATOM 117 N LYS A 231 5.251 -7.110 4.968 1.00 0.00 N ATOM 118 CA LYS A 231 5.124 -7.521 6.367 1.00 0.00 C ATOM 119 C LYS A 231 3.794 -7.057 6.952 1.00 0.00 C ATOM 120 O LYS A 231 3.153 -7.790 7.702 1.00 0.00 O ATOM 121 CB LYS A 231 6.275 -6.990 7.232 1.00 0.00 C ATOM 122 CG LYS A 231 7.615 -7.665 6.984 1.00 0.00 C ATOM 123 CD LYS A 231 7.488 -9.179 7.025 1.00 0.00 C ATOM 124 CE LYS A 231 8.804 -9.854 7.377 1.00 0.00 C ATOM 125 NZ LYS A 231 9.249 -9.530 8.759 1.00 0.00 N1+ ATOM 0 H LYS A 231 5.487 -6.127 4.833 1.00 0.00 H new ATOM 0 HA LYS A 231 5.165 -8.610 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 231 6.383 -5.920 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 231 6.010 -7.113 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.005 -7.357 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 231 8.334 -7.338 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 231 6.730 -9.459 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 231 7.144 -9.540 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.695 -10.934 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.571 -9.543 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 9.881 -10.280 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 9.757 -8.622 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 8.420 -9.461 9.383 1.00 0.00 H new ATOM 139 N THR A 232 3.390 -5.836 6.630 1.00 0.00 N ATOM 140 CA THR A 232 2.114 -5.310 7.096 1.00 0.00 C ATOM 141 C THR A 232 1.386 -4.583 5.972 1.00 0.00 C ATOM 142 O THR A 232 1.916 -4.425 4.875 1.00 0.00 O ATOM 143 CB THR A 232 2.274 -4.368 8.314 1.00 0.00 C ATOM 144 OG1 THR A 232 3.213 -3.331 8.032 1.00 0.00 O ATOM 145 CG2 THR A 232 2.724 -5.136 9.546 1.00 0.00 C ATOM 0 H THR A 232 3.926 -5.192 6.049 1.00 0.00 H new ATOM 0 HA THR A 232 1.521 -6.167 7.416 1.00 0.00 H new ATOM 0 HB THR A 232 1.299 -3.924 8.513 1.00 0.00 H new ATOM 0 HG1 THR A 232 2.821 -2.463 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 232 2.828 -4.449 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 232 1.984 -5.898 9.790 1.00 0.00 H new ATOM 0 HG23 THR A 232 3.684 -5.613 9.347 1.00 0.00 H new ATOM 153 N GLN A 233 0.179 -4.142 6.263 1.00 0.00 N ATOM 154 CA GLN A 233 -0.721 -3.607 5.258 1.00 0.00 C ATOM 155 C GLN A 233 -0.993 -2.133 5.534 1.00 0.00 C ATOM 156 O GLN A 233 -0.844 -1.676 6.667 1.00 0.00 O ATOM 157 CB GLN A 233 -2.031 -4.411 5.263 1.00 0.00 C ATOM 158 CG GLN A 233 -2.371 -5.087 3.938 1.00 0.00 C ATOM 159 CD GLN A 233 -1.196 -5.828 3.325 1.00 0.00 C ATOM 160 OE1 GLN A 233 -0.318 -6.318 4.028 1.00 0.00 O ATOM 161 NE2 GLN A 233 -1.182 -5.925 2.006 1.00 0.00 N ATOM 0 H GLN A 233 -0.208 -4.144 7.207 1.00 0.00 H new ATOM 0 HA GLN A 233 -0.260 -3.692 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.970 -5.174 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.849 -3.744 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.192 -5.787 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -2.725 -4.334 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -1.931 -5.504 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -0.423 -6.421 1.539 1.00 0.00 H new ATOM 170 N PRO A 234 -1.374 -1.377 4.495 1.00 0.00 N ATOM 171 CA PRO A 234 -1.768 0.031 4.603 1.00 0.00 C ATOM 172 C PRO A 234 -2.723 0.309 5.765 1.00 0.00 C ATOM 173 O PRO A 234 -3.891 -0.081 5.724 1.00 0.00 O ATOM 174 CB PRO A 234 -2.485 0.300 3.262 1.00 0.00 C ATOM 175 CG PRO A 234 -2.582 -1.027 2.582 1.00 0.00 C ATOM 176 CD PRO A 234 -1.433 -1.823 3.106 1.00 0.00 C ATOM 0 HA PRO A 234 -0.904 0.668 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -3.473 0.729 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -1.925 1.011 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -3.532 -1.514 2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -2.524 -0.919 1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -1.609 -2.896 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -0.509 -1.611 2.568 1.00 0.00 H new ATOM 184 N THR A 235 -2.218 0.958 6.811 1.00 0.00 N ATOM 185 CA THR A 235 -3.059 1.384 7.924 1.00 0.00 C ATOM 186 C THR A 235 -2.474 2.617 8.626 1.00 0.00 C ATOM 187 O THR A 235 -1.558 2.509 9.441 1.00 0.00 O ATOM 188 CB THR A 235 -3.267 0.234 8.949 1.00 0.00 C ATOM 189 OG1 THR A 235 -3.975 -0.844 8.321 1.00 0.00 O ATOM 190 CG2 THR A 235 -4.045 0.697 10.189 1.00 0.00 C ATOM 0 H THR A 235 -1.232 1.200 6.910 1.00 0.00 H new ATOM 0 HA THR A 235 -4.030 1.653 7.507 1.00 0.00 H new ATOM 0 HB THR A 235 -2.282 -0.096 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 235 -4.145 -0.621 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.166 -0.140 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 235 -3.496 1.497 10.685 1.00 0.00 H new ATOM 0 HG23 THR A 235 -5.026 1.063 9.887 1.00 0.00 H new ATOM 198 N VAL A 236 -2.950 3.788 8.212 1.00 0.00 N ATOM 199 CA VAL A 236 -2.704 5.057 8.898 1.00 0.00 C ATOM 200 C VAL A 236 -3.800 6.059 8.509 1.00 0.00 C ATOM 201 O VAL A 236 -4.637 5.724 7.678 1.00 0.00 O ATOM 202 CB VAL A 236 -1.231 5.574 8.700 1.00 0.00 C ATOM 203 CG1 VAL A 236 -1.121 7.056 8.359 1.00 0.00 C ATOM 204 CG2 VAL A 236 -0.449 5.321 9.976 1.00 0.00 C ATOM 0 H VAL A 236 -3.527 3.885 7.377 1.00 0.00 H new ATOM 0 HA VAL A 236 -2.773 4.912 9.976 1.00 0.00 H new ATOM 0 HB VAL A 236 -0.831 5.026 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -0.071 7.325 8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -1.654 7.256 7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -1.559 7.648 9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 236 0.574 5.675 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -0.919 5.853 10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -0.440 4.252 10.191 1.00 0.00 H new ATOM 214 N THR A 237 -3.808 7.236 9.136 1.00 0.00 N ATOM 215 CA THR A 237 -4.863 8.241 9.010 1.00 0.00 C ATOM 216 C THR A 237 -5.580 8.238 7.654 1.00 0.00 C ATOM 217 O THR A 237 -5.010 8.615 6.624 1.00 0.00 O ATOM 218 CB THR A 237 -4.263 9.637 9.251 1.00 0.00 C ATOM 219 OG1 THR A 237 -3.534 9.645 10.487 1.00 0.00 O ATOM 220 CG2 THR A 237 -5.346 10.707 9.285 1.00 0.00 C ATOM 0 H THR A 237 -3.058 7.524 9.764 1.00 0.00 H new ATOM 0 HA THR A 237 -5.614 7.986 9.758 1.00 0.00 H new ATOM 0 HB THR A 237 -3.589 9.863 8.425 1.00 0.00 H new ATOM 0 HG1 THR A 237 -3.152 10.535 10.636 1.00 0.00 H new ATOM 0 HG21 THR A 237 -4.889 11.682 9.457 1.00 0.00 H new ATOM 0 HG22 THR A 237 -5.877 10.718 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 237 -6.048 10.488 10.089 1.00 0.00 H new ATOM 228 N TYR A 238 -6.829 7.791 7.675 1.00 0.00 N ATOM 229 CA TYR A 238 -7.706 7.884 6.518 1.00 0.00 C ATOM 230 C TYR A 238 -8.835 8.859 6.830 1.00 0.00 C ATOM 231 O TYR A 238 -9.890 8.457 7.322 1.00 0.00 O ATOM 232 CB TYR A 238 -8.311 6.500 6.164 1.00 0.00 C ATOM 233 CG TYR A 238 -7.313 5.476 5.691 1.00 0.00 C ATOM 234 CD1 TYR A 238 -6.690 5.613 4.465 1.00 0.00 C ATOM 235 CD2 TYR A 238 -7.015 4.359 6.458 1.00 0.00 C ATOM 236 CE1 TYR A 238 -5.797 4.673 4.008 1.00 0.00 C ATOM 237 CE2 TYR A 238 -6.117 3.413 6.011 1.00 0.00 C ATOM 238 CZ TYR A 238 -5.512 3.573 4.784 1.00 0.00 C ATOM 239 OH TYR A 238 -4.621 2.632 4.329 1.00 0.00 O ATOM 0 H TYR A 238 -7.260 7.356 8.491 1.00 0.00 H new ATOM 0 HA TYR A 238 -7.123 8.233 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 238 -8.824 6.108 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 238 -9.065 6.636 5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 238 -6.909 6.476 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 238 -7.493 4.229 7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 238 -5.322 4.797 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 238 -5.889 2.551 6.620 1.00 0.00 H new ATOM 0 HH TYR A 238 -4.749 1.795 4.822 1.00 0.00 H new ATOM 249 N ASN A 239 -8.612 10.137 6.574 1.00 0.00 N ATOM 250 CA ASN A 239 -9.607 11.150 6.885 1.00 0.00 C ATOM 251 C ASN A 239 -9.859 12.008 5.656 1.00 0.00 C ATOM 252 O ASN A 239 -8.921 12.448 4.996 1.00 0.00 O ATOM 253 CB ASN A 239 -9.139 12.005 8.067 1.00 0.00 C ATOM 254 CG ASN A 239 -10.264 12.804 8.700 1.00 0.00 C ATOM 255 OD1 ASN A 239 -11.188 13.257 8.024 1.00 0.00 O ATOM 256 ND2 ASN A 239 -10.196 12.978 10.008 1.00 0.00 N ATOM 0 H ASN A 239 -7.755 10.497 6.154 1.00 0.00 H new ATOM 0 HA ASN A 239 -10.542 10.667 7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 239 -8.690 11.359 8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 239 -8.360 12.689 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 239 -10.925 13.503 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 239 -9.415 12.587 10.535 1.00 0.00 H new ATOM 263 N ALA A 240 -11.120 12.249 5.354 1.00 0.00 N ATOM 264 CA ALA A 240 -11.489 12.870 4.090 1.00 0.00 C ATOM 265 C ALA A 240 -11.893 14.325 4.270 1.00 0.00 C ATOM 266 O ALA A 240 -11.503 15.181 3.481 1.00 0.00 O ATOM 267 CB ALA A 240 -12.603 12.086 3.424 1.00 0.00 C ATOM 0 H ALA A 240 -11.907 12.026 5.963 1.00 0.00 H new ATOM 0 HA ALA A 240 -10.610 12.854 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 240 -12.869 12.562 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 240 -12.267 11.066 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 240 -13.475 12.066 4.078 1.00 0.00 H new ATOM 273 N VAL A 241 -12.673 14.608 5.307 1.00 0.00 N ATOM 274 CA VAL A 241 -13.087 15.978 5.597 1.00 0.00 C ATOM 275 C VAL A 241 -11.871 16.819 5.990 1.00 0.00 C ATOM 276 O VAL A 241 -11.838 18.031 5.783 1.00 0.00 O ATOM 277 CB VAL A 241 -14.144 16.022 6.730 1.00 0.00 C ATOM 278 CG1 VAL A 241 -14.606 17.448 7.006 1.00 0.00 C ATOM 279 CG2 VAL A 241 -15.340 15.134 6.389 1.00 0.00 C ATOM 0 H VAL A 241 -13.031 13.911 5.960 1.00 0.00 H new ATOM 0 HA VAL A 241 -13.540 16.389 4.695 1.00 0.00 H new ATOM 0 HB VAL A 241 -13.671 15.640 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 241 -15.347 17.442 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 241 -13.752 18.055 7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 241 -15.050 17.868 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 241 -16.069 15.180 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 241 -15.800 15.483 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 241 -15.004 14.105 6.261 1.00 0.00 H new ATOM 289 N LYS A 242 -10.869 16.152 6.541 1.00 0.00 N ATOM 290 CA LYS A 242 -9.625 16.805 6.932 1.00 0.00 C ATOM 291 C LYS A 242 -8.618 16.776 5.792 1.00 0.00 C ATOM 292 O LYS A 242 -7.592 17.457 5.823 1.00 0.00 O ATOM 293 CB LYS A 242 -9.043 16.096 8.147 1.00 0.00 C ATOM 294 CG LYS A 242 -9.976 16.106 9.342 1.00 0.00 C ATOM 295 CD LYS A 242 -10.016 17.463 10.021 1.00 0.00 C ATOM 296 CE LYS A 242 -8.638 17.893 10.500 1.00 0.00 C ATOM 297 NZ LYS A 242 -8.670 19.210 11.188 1.00 0.00 N1+ ATOM 0 H LYS A 242 -10.892 15.150 6.730 1.00 0.00 H new ATOM 0 HA LYS A 242 -9.838 17.846 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -8.812 15.064 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -8.103 16.573 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -10.981 15.832 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -9.654 15.351 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -10.408 18.206 9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -10.701 17.426 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -8.240 17.139 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -7.959 17.946 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -7.710 19.463 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -9.025 19.935 10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -9.297 19.154 12.016 1.00 0.00 H new ATOM 311 N ASP A 243 -8.942 15.961 4.796 1.00 0.00 N ATOM 312 CA ASP A 243 -8.102 15.753 3.613 1.00 0.00 C ATOM 313 C ASP A 243 -6.746 15.188 3.997 1.00 0.00 C ATOM 314 O ASP A 243 -5.716 15.844 3.849 1.00 0.00 O ATOM 315 CB ASP A 243 -7.921 17.048 2.810 1.00 0.00 C ATOM 316 CG ASP A 243 -9.183 17.482 2.099 1.00 0.00 C ATOM 317 OD1 ASP A 243 -9.576 16.820 1.114 1.00 0.00 O ATOM 318 OD2 ASP A 243 -9.780 18.501 2.503 1.00 0.00 O1- ATOM 0 H ASP A 243 -9.805 15.417 4.783 1.00 0.00 H new ATOM 0 HA ASP A 243 -8.618 15.030 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -7.597 17.843 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -7.127 16.907 2.076 1.00 0.00 H new ATOM 323 N SER A 244 -6.752 13.964 4.495 1.00 0.00 N ATOM 324 CA SER A 244 -5.527 13.304 4.906 1.00 0.00 C ATOM 325 C SER A 244 -5.654 11.796 4.750 1.00 0.00 C ATOM 326 O SER A 244 -6.242 11.119 5.593 1.00 0.00 O ATOM 327 CB SER A 244 -5.189 13.662 6.356 1.00 0.00 C ATOM 328 OG SER A 244 -5.004 15.062 6.499 1.00 0.00 O ATOM 0 H SER A 244 -7.596 13.406 4.625 1.00 0.00 H new ATOM 0 HA SER A 244 -4.717 13.650 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 244 -5.991 13.327 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 244 -4.284 13.138 6.663 1.00 0.00 H new ATOM 0 HG SER A 244 -4.791 15.270 7.433 1.00 0.00 H new ATOM 334 N TYR A 245 -5.116 11.283 3.655 1.00 0.00 N ATOM 335 CA TYR A 245 -5.112 9.852 3.403 1.00 0.00 C ATOM 336 C TYR A 245 -3.687 9.354 3.273 1.00 0.00 C ATOM 337 O TYR A 245 -3.031 9.545 2.243 1.00 0.00 O ATOM 338 CB TYR A 245 -5.895 9.527 2.137 1.00 0.00 C ATOM 339 CG TYR A 245 -7.314 9.062 2.391 1.00 0.00 C ATOM 340 CD1 TYR A 245 -7.702 7.767 2.074 1.00 0.00 C ATOM 341 CD2 TYR A 245 -8.261 9.907 2.955 1.00 0.00 C ATOM 342 CE1 TYR A 245 -8.990 7.330 2.312 1.00 0.00 C ATOM 343 CE2 TYR A 245 -9.551 9.477 3.194 1.00 0.00 C ATOM 344 CZ TYR A 245 -9.909 8.187 2.870 1.00 0.00 C ATOM 345 OH TYR A 245 -11.190 7.754 3.108 1.00 0.00 O ATOM 0 H TYR A 245 -4.674 11.840 2.924 1.00 0.00 H new ATOM 0 HA TYR A 245 -5.592 9.351 4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -5.922 10.412 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -5.364 8.753 1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -6.984 7.090 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -7.983 10.919 3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -9.274 6.319 2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -10.275 10.148 3.632 1.00 0.00 H new ATOM 0 HH TYR A 245 -11.712 8.481 3.506 1.00 0.00 H new ATOM 355 N GLN A 246 -3.208 8.734 4.330 1.00 0.00 N ATOM 356 CA GLN A 246 -1.864 8.196 4.365 1.00 0.00 C ATOM 357 C GLN A 246 -1.915 6.809 4.972 1.00 0.00 C ATOM 358 O GLN A 246 -2.884 6.473 5.640 1.00 0.00 O ATOM 359 CB GLN A 246 -0.957 9.103 5.202 1.00 0.00 C ATOM 360 CG GLN A 246 -0.936 10.549 4.731 1.00 0.00 C ATOM 361 CD GLN A 246 -0.156 11.463 5.654 1.00 0.00 C ATOM 362 OE1 GLN A 246 -0.458 12.650 5.768 1.00 0.00 O ATOM 363 NE2 GLN A 246 0.856 10.928 6.314 1.00 0.00 N ATOM 0 H GLN A 246 -3.738 8.588 5.189 1.00 0.00 H new ATOM 0 HA GLN A 246 -1.459 8.143 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 246 -1.287 9.073 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 246 0.059 8.708 5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 246 -0.501 10.593 3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 246 -1.960 10.913 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 246 1.077 9.939 6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 246 1.416 11.504 6.943 1.00 0.00 H new ATOM 372 N PHE A 247 -0.902 5.995 4.742 1.00 0.00 N ATOM 373 CA PHE A 247 -0.848 4.709 5.402 1.00 0.00 C ATOM 374 C PHE A 247 0.587 4.264 5.675 1.00 0.00 C ATOM 375 O PHE A 247 1.466 4.454 4.844 1.00 0.00 O ATOM 376 CB PHE A 247 -1.621 3.642 4.630 1.00 0.00 C ATOM 377 CG PHE A 247 -1.196 3.414 3.209 1.00 0.00 C ATOM 378 CD1 PHE A 247 -1.930 3.937 2.158 1.00 0.00 C ATOM 379 CD2 PHE A 247 -0.099 2.625 2.922 1.00 0.00 C ATOM 380 CE1 PHE A 247 -1.572 3.676 0.852 1.00 0.00 C ATOM 381 CE2 PHE A 247 0.265 2.367 1.623 1.00 0.00 C ATOM 382 CZ PHE A 247 -0.472 2.888 0.587 1.00 0.00 C ATOM 0 H PHE A 247 -0.122 6.197 4.117 1.00 0.00 H new ATOM 0 HA PHE A 247 -1.337 4.834 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 247 -1.534 2.699 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 247 -2.676 3.914 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 247 -2.791 4.555 2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 247 0.481 2.205 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 247 -2.152 4.088 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 247 1.130 1.755 1.416 1.00 0.00 H new ATOM 0 HZ PHE A 247 -0.190 2.680 -0.435 1.00 0.00 H new ATOM 392 N THR A 248 0.824 3.675 6.842 1.00 0.00 N ATOM 393 CA THR A 248 2.154 3.219 7.208 1.00 0.00 C ATOM 394 C THR A 248 2.269 1.728 6.974 1.00 0.00 C ATOM 395 O THR A 248 1.349 0.974 7.303 1.00 0.00 O ATOM 396 CB THR A 248 2.449 3.519 8.694 1.00 0.00 C ATOM 397 OG1 THR A 248 2.485 4.934 8.912 1.00 0.00 O ATOM 398 CG2 THR A 248 3.767 2.896 9.138 1.00 0.00 C ATOM 0 H THR A 248 0.110 3.503 7.549 1.00 0.00 H new ATOM 0 HA THR A 248 2.877 3.750 6.589 1.00 0.00 H new ATOM 0 HB THR A 248 1.648 3.078 9.288 1.00 0.00 H new ATOM 0 HG1 THR A 248 2.592 5.115 9.869 1.00 0.00 H new ATOM 0 HG21 THR A 248 3.943 3.127 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 248 3.721 1.815 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 248 4.581 3.300 8.536 1.00 0.00 H new ATOM 406 N VAL A 249 3.385 1.298 6.403 1.00 0.00 N ATOM 407 CA VAL A 249 3.565 -0.123 6.115 1.00 0.00 C ATOM 408 C VAL A 249 4.983 -0.600 6.458 1.00 0.00 C ATOM 409 O VAL A 249 5.960 0.119 6.258 1.00 0.00 O ATOM 410 CB VAL A 249 3.262 -0.446 4.627 1.00 0.00 C ATOM 411 CG1 VAL A 249 3.485 -1.917 4.316 1.00 0.00 C ATOM 412 CG2 VAL A 249 1.845 -0.047 4.263 1.00 0.00 C ATOM 0 H VAL A 249 4.166 1.896 6.134 1.00 0.00 H new ATOM 0 HA VAL A 249 2.854 -0.656 6.747 1.00 0.00 H new ATOM 0 HB VAL A 249 3.958 0.137 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 249 3.263 -2.105 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 249 4.523 -2.179 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 249 2.829 -2.524 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 249 1.658 -0.284 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 249 1.141 -0.594 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 249 1.716 1.024 4.422 1.00 0.00 H new ATOM 422 N THR A 250 5.079 -1.808 6.996 1.00 0.00 N ATOM 423 CA THR A 250 6.350 -2.476 7.189 1.00 0.00 C ATOM 424 C THR A 250 6.598 -3.408 6.008 1.00 0.00 C ATOM 425 O THR A 250 5.806 -4.318 5.748 1.00 0.00 O ATOM 426 CB THR A 250 6.354 -3.292 8.501 1.00 0.00 C ATOM 427 OG1 THR A 250 6.089 -2.427 9.615 1.00 0.00 O ATOM 428 CG2 THR A 250 7.684 -4.002 8.712 1.00 0.00 C ATOM 0 H THR A 250 4.274 -2.350 7.310 1.00 0.00 H new ATOM 0 HA THR A 250 7.138 -1.726 7.254 1.00 0.00 H new ATOM 0 HB THR A 250 5.573 -4.048 8.426 1.00 0.00 H new ATOM 0 HG1 THR A 250 6.091 -2.951 10.443 1.00 0.00 H new ATOM 0 HG21 THR A 250 7.651 -4.566 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 250 7.868 -4.683 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 250 8.486 -3.265 8.762 1.00 0.00 H new ATOM 436 N LEU A 251 7.673 -3.174 5.276 1.00 0.00 N ATOM 437 CA LEU A 251 7.961 -3.961 4.096 1.00 0.00 C ATOM 438 C LEU A 251 9.245 -4.742 4.317 1.00 0.00 C ATOM 439 O LEU A 251 10.015 -4.441 5.229 1.00 0.00 O ATOM 440 CB LEU A 251 8.093 -3.070 2.840 1.00 0.00 C ATOM 441 CG LEU A 251 6.896 -2.161 2.497 1.00 0.00 C ATOM 442 CD1 LEU A 251 6.834 -0.944 3.410 1.00 0.00 C ATOM 443 CD2 LEU A 251 6.977 -1.703 1.051 1.00 0.00 C ATOM 0 H LEU A 251 8.358 -2.446 5.480 1.00 0.00 H new ATOM 0 HA LEU A 251 7.132 -4.648 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 251 8.973 -2.439 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 251 8.283 -3.717 1.984 1.00 0.00 H new ATOM 0 HG LEU A 251 5.990 -2.748 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.977 -0.328 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 251 6.731 -1.270 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 251 7.749 -0.361 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.125 -1.062 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 251 7.901 -1.146 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 251 6.963 -2.572 0.393 1.00 0.00 H new ATOM 455 N THR A 252 9.469 -5.752 3.506 1.00 0.00 N ATOM 456 CA THR A 252 10.703 -6.500 3.572 1.00 0.00 C ATOM 457 C THR A 252 11.366 -6.564 2.197 1.00 0.00 C ATOM 458 O THR A 252 10.852 -7.205 1.283 1.00 0.00 O ATOM 459 CB THR A 252 10.483 -7.921 4.089 1.00 0.00 C ATOM 460 OG1 THR A 252 9.079 -8.192 4.184 1.00 0.00 O ATOM 461 CG2 THR A 252 11.153 -8.110 5.447 1.00 0.00 C ATOM 0 H THR A 252 8.813 -6.073 2.794 1.00 0.00 H new ATOM 0 HA THR A 252 11.354 -5.976 4.272 1.00 0.00 H new ATOM 0 HB THR A 252 10.934 -8.622 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 252 8.944 -9.105 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 252 10.984 -9.128 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 252 12.224 -7.932 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 252 10.730 -7.405 6.163 1.00 0.00 H new ATOM 469 N GLY A 253 12.495 -5.890 2.045 1.00 0.00 N ATOM 470 CA GLY A 253 13.183 -5.896 0.781 1.00 0.00 C ATOM 471 C GLY A 253 14.268 -6.947 0.731 1.00 0.00 C ATOM 472 O GLY A 253 14.133 -8.010 1.337 1.00 0.00 O ATOM 0 H GLY A 253 12.944 -5.340 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 253 12.467 -6.076 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 253 13.621 -4.914 0.602 1.00 0.00 H new ATOM 476 N ALA A 254 15.339 -6.661 0.010 1.00 0.00 N ATOM 477 CA ALA A 254 16.419 -7.625 -0.144 1.00 0.00 C ATOM 478 C ALA A 254 17.682 -7.218 0.602 1.00 0.00 C ATOM 479 O ALA A 254 17.689 -6.233 1.340 1.00 0.00 O ATOM 480 CB ALA A 254 16.714 -7.863 -1.616 1.00 0.00 C ATOM 0 H ALA A 254 15.485 -5.776 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 254 16.079 -8.558 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 254 17.524 -8.586 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 254 15.822 -8.250 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 254 17.008 -6.924 -2.085 1.00 0.00 H new ATOM 486 N THR A 255 18.736 -8.001 0.384 1.00 0.00 N ATOM 487 CA THR A 255 19.968 -7.938 1.161 1.00 0.00 C ATOM 488 C THR A 255 20.649 -6.558 1.120 1.00 0.00 C ATOM 489 O THR A 255 20.312 -5.697 0.299 1.00 0.00 O ATOM 490 CB THR A 255 20.944 -9.028 0.655 1.00 0.00 C ATOM 491 OG1 THR A 255 20.203 -10.225 0.374 1.00 0.00 O ATOM 492 CG2 THR A 255 22.031 -9.356 1.688 1.00 0.00 C ATOM 0 H THR A 255 18.757 -8.709 -0.350 1.00 0.00 H new ATOM 0 HA THR A 255 19.700 -8.113 2.203 1.00 0.00 H new ATOM 0 HB THR A 255 21.433 -8.645 -0.241 1.00 0.00 H new ATOM 0 HG1 THR A 255 20.814 -10.920 0.051 1.00 0.00 H new ATOM 0 HG21 THR A 255 22.692 -10.125 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 255 22.609 -8.458 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 255 21.565 -9.718 2.604 1.00 0.00 H new ATOM 500 N ALA A 256 21.619 -6.389 2.021 1.00 0.00 N ATOM 501 CA ALA A 256 22.347 -5.140 2.221 1.00 0.00 C ATOM 502 C ALA A 256 23.139 -4.710 0.984 1.00 0.00 C ATOM 503 O ALA A 256 23.070 -5.351 -0.068 1.00 0.00 O ATOM 504 CB ALA A 256 23.271 -5.284 3.425 1.00 0.00 C ATOM 0 H ALA A 256 21.925 -7.136 2.645 1.00 0.00 H new ATOM 0 HA ALA A 256 21.614 -4.354 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 256 23.817 -4.353 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 256 22.680 -5.508 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 256 23.978 -6.094 3.246 1.00 0.00 H new ATOM 510 N SER A 257 23.882 -3.607 1.141 1.00 0.00 N ATOM 511 CA SER A 257 24.649 -2.979 0.065 1.00 0.00 C ATOM 512 C SER A 257 23.737 -2.135 -0.827 1.00 0.00 C ATOM 513 O SER A 257 24.134 -1.701 -1.907 1.00 0.00 O ATOM 514 CB SER A 257 25.424 -4.024 -0.760 1.00 0.00 C ATOM 515 OG SER A 257 26.291 -4.783 0.074 1.00 0.00 O ATOM 0 H SER A 257 23.966 -3.121 2.034 1.00 0.00 H new ATOM 0 HA SER A 257 25.385 -2.317 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 257 24.723 -4.689 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 257 26.004 -3.524 -1.536 1.00 0.00 H new ATOM 0 HG SER A 257 26.773 -5.442 -0.468 1.00 0.00 H new ATOM 521 N VAL A 258 22.512 -1.903 -0.361 1.00 0.00 N ATOM 522 CA VAL A 258 21.581 -1.025 -1.048 1.00 0.00 C ATOM 523 C VAL A 258 21.090 0.051 -0.083 1.00 0.00 C ATOM 524 O VAL A 258 20.142 -0.163 0.693 1.00 0.00 O ATOM 525 CB VAL A 258 20.370 -1.792 -1.621 1.00 0.00 C ATOM 526 CG1 VAL A 258 19.514 -0.872 -2.477 1.00 0.00 C ATOM 527 CG2 VAL A 258 20.821 -3.002 -2.424 1.00 0.00 C ATOM 0 H VAL A 258 22.144 -2.316 0.496 1.00 0.00 H new ATOM 0 HA VAL A 258 22.112 -0.573 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 258 19.768 -2.148 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 258 18.665 -1.429 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 258 19.152 -0.042 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 258 20.110 -0.484 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 258 19.948 -3.524 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 258 21.451 -2.675 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 258 21.388 -3.675 -1.781 1.00 0.00 H new ATOM 537 N THR A 259 21.753 1.196 -0.119 1.00 0.00 N ATOM 538 CA THR A 259 21.445 2.290 0.783 1.00 0.00 C ATOM 539 C THR A 259 20.191 3.031 0.338 1.00 0.00 C ATOM 540 O THR A 259 20.247 3.932 -0.497 1.00 0.00 O ATOM 541 CB THR A 259 22.620 3.280 0.883 1.00 0.00 C ATOM 542 OG1 THR A 259 23.837 2.563 1.139 1.00 0.00 O ATOM 543 CG2 THR A 259 22.380 4.286 2.001 1.00 0.00 C ATOM 0 H THR A 259 22.514 1.391 -0.770 1.00 0.00 H new ATOM 0 HA THR A 259 21.269 1.855 1.767 1.00 0.00 H new ATOM 0 HB THR A 259 22.701 3.817 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 259 24.583 3.196 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 259 23.221 4.977 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 259 21.465 4.843 1.799 1.00 0.00 H new ATOM 0 HG23 THR A 259 22.281 3.759 2.950 1.00 0.00 H new ATOM 551 N GLY A 260 19.064 2.630 0.900 1.00 0.00 N ATOM 552 CA GLY A 260 17.803 3.267 0.598 1.00 0.00 C ATOM 553 C GLY A 260 17.261 2.913 -0.768 1.00 0.00 C ATOM 554 O GLY A 260 17.612 3.549 -1.762 1.00 0.00 O ATOM 0 H GLY A 260 19.001 1.863 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 260 17.072 2.984 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 260 17.926 4.348 0.662 1.00 0.00 H new ATOM 558 N PHE A 261 16.417 1.886 -0.816 1.00 0.00 N ATOM 559 CA PHE A 261 15.652 1.568 -2.024 1.00 0.00 C ATOM 560 C PHE A 261 15.044 2.821 -2.665 1.00 0.00 C ATOM 561 O PHE A 261 15.057 2.967 -3.891 1.00 0.00 O ATOM 562 CB PHE A 261 14.493 0.598 -1.714 1.00 0.00 C ATOM 563 CG PHE A 261 14.823 -0.852 -1.919 1.00 0.00 C ATOM 564 CD1 PHE A 261 14.712 -1.760 -0.881 1.00 0.00 C ATOM 565 CD2 PHE A 261 15.226 -1.307 -3.162 1.00 0.00 C ATOM 566 CE1 PHE A 261 14.998 -3.097 -1.082 1.00 0.00 C ATOM 567 CE2 PHE A 261 15.516 -2.639 -3.368 1.00 0.00 C ATOM 568 CZ PHE A 261 15.401 -3.536 -2.329 1.00 0.00 C ATOM 0 H PHE A 261 16.243 1.257 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 261 16.361 1.108 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 261 14.181 0.744 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 261 13.642 0.856 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 261 14.399 -1.421 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 261 15.315 -0.609 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 261 14.907 -3.798 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 261 15.833 -2.979 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 261 15.625 -4.580 -2.488 1.00 0.00 H new ATOM 578 N LEU A 262 14.505 3.713 -1.836 1.00 0.00 N ATOM 579 CA LEU A 262 13.766 4.867 -2.326 1.00 0.00 C ATOM 580 C LEU A 262 13.542 5.894 -1.217 1.00 0.00 C ATOM 581 O LEU A 262 13.879 5.645 -0.057 1.00 0.00 O ATOM 582 CB LEU A 262 12.430 4.406 -2.926 1.00 0.00 C ATOM 583 CG LEU A 262 11.702 3.283 -2.173 1.00 0.00 C ATOM 584 CD1 LEU A 262 11.173 3.766 -0.834 1.00 0.00 C ATOM 585 CD2 LEU A 262 10.569 2.731 -3.023 1.00 0.00 C ATOM 0 H LEU A 262 14.568 3.655 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 262 14.355 5.354 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.765 5.267 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 262 12.610 4.073 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 262 12.421 2.487 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 262 10.663 2.947 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 262 12.003 4.113 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 262 10.472 4.586 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 262 10.060 1.935 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 262 9.860 3.528 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 262 10.973 2.333 -3.954 1.00 0.00 H new ATOM 597 N LYS A 263 12.990 7.049 -1.588 1.00 0.00 N ATOM 598 CA LYS A 263 12.694 8.119 -0.642 1.00 0.00 C ATOM 599 C LYS A 263 11.386 8.821 -1.000 1.00 0.00 C ATOM 600 O LYS A 263 10.596 8.316 -1.799 1.00 0.00 O ATOM 601 CB LYS A 263 13.822 9.150 -0.610 1.00 0.00 C ATOM 602 CG LYS A 263 15.136 8.600 -0.104 1.00 0.00 C ATOM 603 CD LYS A 263 16.159 9.712 0.087 1.00 0.00 C ATOM 604 CE LYS A 263 17.571 9.173 0.262 1.00 0.00 C ATOM 605 NZ LYS A 263 17.684 8.245 1.414 1.00 0.00 N1+ ATOM 0 H LYS A 263 12.737 7.267 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 263 12.598 7.661 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 263 13.968 9.547 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 263 13.521 9.985 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 263 14.977 8.082 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 263 15.522 7.864 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 263 16.131 10.380 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 263 15.888 10.306 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 263 17.875 8.656 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 263 18.260 10.006 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 18.675 8.197 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 17.092 8.589 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 17.365 7.297 1.129 1.00 0.00 H new ATOM 619 N ALA A 264 11.166 9.984 -0.391 1.00 0.00 N ATOM 620 CA ALA A 264 9.971 10.776 -0.625 1.00 0.00 C ATOM 621 C ALA A 264 9.818 11.135 -2.095 1.00 0.00 C ATOM 622 O ALA A 264 10.636 11.858 -2.665 1.00 0.00 O ATOM 623 CB ALA A 264 10.001 12.038 0.223 1.00 0.00 C ATOM 0 H ALA A 264 11.814 10.400 0.278 1.00 0.00 H new ATOM 0 HA ALA A 264 9.110 10.172 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 264 9.100 12.622 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 264 10.047 11.767 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 264 10.878 12.631 -0.038 1.00 0.00 H new ATOM 629 N GLY A 265 8.777 10.605 -2.704 1.00 0.00 N ATOM 630 CA GLY A 265 8.488 10.913 -4.088 1.00 0.00 C ATOM 631 C GLY A 265 8.628 9.700 -4.977 1.00 0.00 C ATOM 632 O GLY A 265 8.150 9.690 -6.113 1.00 0.00 O ATOM 0 H GLY A 265 8.120 9.961 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 265 7.475 11.307 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 265 9.163 11.696 -4.434 1.00 0.00 H new ATOM 636 N ASP A 266 9.291 8.674 -4.462 1.00 0.00 N ATOM 637 CA ASP A 266 9.461 7.433 -5.201 1.00 0.00 C ATOM 638 C ASP A 266 8.187 6.604 -5.124 1.00 0.00 C ATOM 639 O ASP A 266 7.669 6.337 -4.034 1.00 0.00 O ATOM 640 CB ASP A 266 10.644 6.628 -4.657 1.00 0.00 C ATOM 641 CG ASP A 266 11.995 7.237 -4.997 1.00 0.00 C ATOM 642 OD1 ASP A 266 12.592 7.909 -4.127 1.00 0.00 O ATOM 643 OD2 ASP A 266 12.479 7.037 -6.131 1.00 0.00 O1- ATOM 0 H ASP A 266 9.719 8.677 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 266 9.667 7.680 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 266 10.552 6.548 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 266 10.599 5.615 -5.057 1.00 0.00 H new ATOM 648 N GLN A 267 7.675 6.212 -6.278 1.00 0.00 N ATOM 649 CA GLN A 267 6.421 5.482 -6.338 1.00 0.00 C ATOM 650 C GLN A 267 6.639 3.976 -6.341 1.00 0.00 C ATOM 651 O GLN A 267 7.641 3.467 -6.849 1.00 0.00 O ATOM 652 CB GLN A 267 5.617 5.874 -7.574 1.00 0.00 C ATOM 653 CG GLN A 267 5.242 7.343 -7.629 1.00 0.00 C ATOM 654 CD GLN A 267 4.320 7.655 -8.790 1.00 0.00 C ATOM 655 OE1 GLN A 267 4.772 7.981 -9.888 1.00 0.00 O ATOM 656 NE2 GLN A 267 3.021 7.544 -8.561 1.00 0.00 N ATOM 0 H GLN A 267 8.108 6.387 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 267 5.863 5.750 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 267 6.194 5.624 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 267 4.706 5.276 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 267 4.757 7.628 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 267 6.147 7.944 -7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 267 2.688 7.271 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 267 2.353 7.731 -9.309 1.00 0.00 H new ATOM 665 N VAL A 268 5.666 3.277 -5.789 1.00 0.00 N ATOM 666 CA VAL A 268 5.678 1.825 -5.723 1.00 0.00 C ATOM 667 C VAL A 268 4.388 1.283 -6.303 1.00 0.00 C ATOM 668 O VAL A 268 3.462 2.040 -6.568 1.00 0.00 O ATOM 669 CB VAL A 268 5.793 1.306 -4.261 1.00 0.00 C ATOM 670 CG1 VAL A 268 7.225 1.395 -3.756 1.00 0.00 C ATOM 671 CG2 VAL A 268 4.869 2.097 -3.336 1.00 0.00 C ATOM 0 H VAL A 268 4.839 3.702 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 268 6.546 1.485 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 268 5.490 0.259 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 268 7.273 1.025 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 268 7.873 0.791 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 268 7.556 2.433 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 268 4.963 1.719 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 268 5.146 3.151 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 268 3.837 1.986 -3.670 1.00 0.00 H new ATOM 681 N LYS A 269 4.321 -0.018 -6.492 1.00 0.00 N ATOM 682 CA LYS A 269 3.058 -0.660 -6.791 1.00 0.00 C ATOM 683 C LYS A 269 2.964 -1.942 -5.975 1.00 0.00 C ATOM 684 O LYS A 269 3.973 -2.602 -5.722 1.00 0.00 O ATOM 685 CB LYS A 269 2.869 -0.936 -8.295 1.00 0.00 C ATOM 686 CG LYS A 269 3.627 -2.134 -8.848 1.00 0.00 C ATOM 687 CD LYS A 269 4.996 -1.756 -9.391 1.00 0.00 C ATOM 688 CE LYS A 269 5.632 -2.933 -10.116 1.00 0.00 C ATOM 689 NZ LYS A 269 6.944 -2.588 -10.723 1.00 0.00 N1+ ATOM 0 H LYS A 269 5.121 -0.649 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 269 2.250 0.018 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 269 1.806 -1.082 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 269 3.175 -0.049 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 269 3.745 -2.880 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 269 3.040 -2.597 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 269 4.901 -0.911 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 269 5.641 -1.435 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 269 5.765 -3.758 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 269 4.956 -3.283 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 7.518 -3.450 -10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 6.792 -2.163 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 7.442 -1.909 -10.112 1.00 0.00 H new ATOM 703 N PHE A 270 1.774 -2.278 -5.529 1.00 0.00 N ATOM 704 CA PHE A 270 1.603 -3.433 -4.667 1.00 0.00 C ATOM 705 C PHE A 270 0.860 -4.545 -5.377 1.00 0.00 C ATOM 706 O PHE A 270 -0.188 -4.315 -5.975 1.00 0.00 O ATOM 707 CB PHE A 270 0.846 -3.052 -3.392 1.00 0.00 C ATOM 708 CG PHE A 270 1.670 -2.294 -2.391 1.00 0.00 C ATOM 709 CD1 PHE A 270 1.878 -0.933 -2.527 1.00 0.00 C ATOM 710 CD2 PHE A 270 2.228 -2.949 -1.303 1.00 0.00 C ATOM 711 CE1 PHE A 270 2.626 -0.237 -1.598 1.00 0.00 C ATOM 712 CE2 PHE A 270 2.980 -2.258 -0.372 1.00 0.00 C ATOM 713 CZ PHE A 270 3.178 -0.900 -0.519 1.00 0.00 C ATOM 0 H PHE A 270 0.914 -1.774 -5.745 1.00 0.00 H new ATOM 0 HA PHE A 270 2.599 -3.789 -4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 270 -0.021 -2.449 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 270 0.468 -3.960 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 270 1.451 -0.409 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 270 2.073 -4.011 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 270 2.779 0.826 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 270 3.412 -2.780 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 270 3.763 -0.357 0.208 1.00 0.00 H new ATOM 723 N THR A 271 1.423 -5.738 -5.330 1.00 0.00 N ATOM 724 CA THR A 271 0.693 -6.927 -5.716 1.00 0.00 C ATOM 725 C THR A 271 0.112 -7.535 -4.447 1.00 0.00 C ATOM 726 O THR A 271 0.739 -8.361 -3.775 1.00 0.00 O ATOM 727 CB THR A 271 1.600 -7.954 -6.450 1.00 0.00 C ATOM 728 OG1 THR A 271 2.657 -8.369 -5.578 1.00 0.00 O ATOM 729 CG2 THR A 271 2.228 -7.370 -7.727 1.00 0.00 C ATOM 0 H THR A 271 2.383 -5.907 -5.028 1.00 0.00 H new ATOM 0 HA THR A 271 -0.097 -6.660 -6.418 1.00 0.00 H new ATOM 0 HB THR A 271 0.968 -8.796 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 271 2.304 -8.492 -4.672 1.00 0.00 H new ATOM 0 HG21 THR A 271 2.853 -8.126 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 271 1.439 -7.065 -8.414 1.00 0.00 H new ATOM 0 HG23 THR A 271 2.838 -6.505 -7.469 1.00 0.00 H new ATOM 737 N ASN A 272 -1.075 -7.073 -4.106 1.00 0.00 N ATOM 738 CA ASN A 272 -1.697 -7.390 -2.833 1.00 0.00 C ATOM 739 C ASN A 272 -3.052 -8.036 -3.054 1.00 0.00 C ATOM 740 O ASN A 272 -3.589 -8.004 -4.155 1.00 0.00 O ATOM 741 CB ASN A 272 -1.852 -6.116 -1.995 1.00 0.00 C ATOM 742 CG ASN A 272 -2.986 -5.229 -2.477 1.00 0.00 C ATOM 743 OD1 ASN A 272 -2.822 -4.442 -3.406 1.00 0.00 O ATOM 744 ND2 ASN A 272 -4.134 -5.327 -1.824 1.00 0.00 N ATOM 0 H ASN A 272 -1.637 -6.467 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 272 -1.059 -8.093 -2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -2.028 -6.390 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -0.919 -5.553 -2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -4.923 -4.736 -2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -4.230 -5.994 -1.058 1.00 0.00 H new ATOM 1061 N SER A 292 -3.794 -4.755 -7.213 1.00 0.00 N ATOM 1062 CA SER A 292 -2.670 -3.883 -7.529 1.00 0.00 C ATOM 1063 C SER A 292 -3.038 -2.399 -7.474 1.00 0.00 C ATOM 1064 O SER A 292 -4.116 -1.996 -7.915 1.00 0.00 O ATOM 1065 CB SER A 292 -2.106 -4.232 -8.909 1.00 0.00 C ATOM 1066 OG SER A 292 -1.517 -5.523 -8.907 1.00 0.00 O ATOM 0 HA SER A 292 -1.912 -4.052 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 292 -2.903 -4.193 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 292 -1.363 -3.490 -9.200 1.00 0.00 H new ATOM 0 HG SER A 292 -2.042 -6.121 -8.336 1.00 0.00 H new ATOM 1072 N PHE A 293 -2.134 -1.592 -6.923 1.00 0.00 N ATOM 1073 CA PHE A 293 -2.279 -0.147 -6.924 1.00 0.00 C ATOM 1074 C PHE A 293 -0.903 0.498 -6.811 1.00 0.00 C ATOM 1075 O PHE A 293 -0.006 -0.050 -6.164 1.00 0.00 O ATOM 1076 CB PHE A 293 -3.195 0.325 -5.781 1.00 0.00 C ATOM 1077 CG PHE A 293 -2.701 -0.008 -4.396 1.00 0.00 C ATOM 1078 CD1 PHE A 293 -3.107 -1.171 -3.761 1.00 0.00 C ATOM 1079 CD2 PHE A 293 -1.840 0.849 -3.724 1.00 0.00 C ATOM 1080 CE1 PHE A 293 -2.666 -1.473 -2.487 1.00 0.00 C ATOM 1081 CE2 PHE A 293 -1.395 0.549 -2.451 1.00 0.00 C ATOM 1082 CZ PHE A 293 -1.808 -0.613 -1.832 1.00 0.00 C ATOM 0 H PHE A 293 -1.285 -1.925 -6.466 1.00 0.00 H new ATOM 0 HA PHE A 293 -2.746 0.157 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -3.320 1.405 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 293 -4.181 -0.120 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 293 -3.777 -1.850 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -1.514 1.761 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 293 -2.993 -2.382 -2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 293 -0.724 1.224 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 293 -1.461 -0.849 -0.837 1.00 0.00 H new ATOM 1092 N THR A 294 -0.732 1.636 -7.458 1.00 0.00 N ATOM 1093 CA THR A 294 0.522 2.366 -7.399 1.00 0.00 C ATOM 1094 C THR A 294 0.489 3.382 -6.258 1.00 0.00 C ATOM 1095 O THR A 294 -0.399 4.237 -6.204 1.00 0.00 O ATOM 1096 CB THR A 294 0.794 3.085 -8.741 1.00 0.00 C ATOM 1097 OG1 THR A 294 0.906 2.118 -9.797 1.00 0.00 O ATOM 1098 CG2 THR A 294 2.062 3.940 -8.690 1.00 0.00 C ATOM 0 H THR A 294 -1.449 2.077 -8.033 1.00 0.00 H new ATOM 0 HA THR A 294 1.327 1.654 -7.215 1.00 0.00 H new ATOM 0 HB THR A 294 -0.047 3.752 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 294 1.077 2.578 -10.645 1.00 0.00 H new ATOM 0 HG21 THR A 294 2.212 4.426 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 294 1.958 4.698 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 294 2.920 3.306 -8.465 1.00 0.00 H new ATOM 1106 N ALA A 295 1.447 3.289 -5.342 1.00 0.00 N ATOM 1107 CA ALA A 295 1.474 4.173 -4.190 1.00 0.00 C ATOM 1108 C ALA A 295 2.768 4.974 -4.159 1.00 0.00 C ATOM 1109 O ALA A 295 3.578 4.878 -5.078 1.00 0.00 O ATOM 1110 CB ALA A 295 1.301 3.365 -2.924 1.00 0.00 C ATOM 0 H ALA A 295 2.210 2.613 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 295 0.650 4.882 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 295 1.322 4.031 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 295 0.346 2.841 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 295 2.111 2.640 -2.842 1.00 0.00 H new ATOM 1116 N THR A 296 2.969 5.770 -3.118 1.00 0.00 N ATOM 1117 CA THR A 296 4.149 6.616 -3.048 1.00 0.00 C ATOM 1118 C THR A 296 4.720 6.695 -1.639 1.00 0.00 C ATOM 1119 O THR A 296 4.002 6.957 -0.669 1.00 0.00 O ATOM 1120 CB THR A 296 3.824 8.039 -3.566 1.00 0.00 C ATOM 1121 OG1 THR A 296 3.427 7.969 -4.940 1.00 0.00 O ATOM 1122 CG2 THR A 296 5.011 9.003 -3.420 1.00 0.00 C ATOM 0 H THR A 296 2.338 5.847 -2.320 1.00 0.00 H new ATOM 0 HA THR A 296 4.907 6.160 -3.685 1.00 0.00 H new ATOM 0 HB THR A 296 3.011 8.431 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 296 3.220 8.869 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 296 4.730 9.986 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 296 5.287 9.084 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 296 5.860 8.624 -3.990 1.00 0.00 H new ATOM 1130 N VAL A 297 6.024 6.465 -1.548 1.00 0.00 N ATOM 1131 CA VAL A 297 6.742 6.549 -0.288 1.00 0.00 C ATOM 1132 C VAL A 297 7.122 7.999 -0.007 1.00 0.00 C ATOM 1133 O VAL A 297 7.396 8.766 -0.932 1.00 0.00 O ATOM 1134 CB VAL A 297 8.004 5.662 -0.313 1.00 0.00 C ATOM 1135 CG1 VAL A 297 8.747 5.727 1.012 1.00 0.00 C ATOM 1136 CG2 VAL A 297 7.629 4.227 -0.651 1.00 0.00 C ATOM 0 H VAL A 297 6.610 6.216 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 297 6.090 6.187 0.507 1.00 0.00 H new ATOM 0 HB VAL A 297 8.673 6.040 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 297 9.632 5.092 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 297 9.049 6.756 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 297 8.094 5.380 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 297 8.527 3.610 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 297 6.939 3.845 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 297 7.152 4.197 -1.631 1.00 0.00 H new ATOM 1146 N THR A 298 7.122 8.382 1.262 1.00 0.00 N ATOM 1147 CA THR A 298 7.324 9.774 1.624 1.00 0.00 C ATOM 1148 C THR A 298 8.513 9.956 2.585 1.00 0.00 C ATOM 1149 O THR A 298 8.581 10.944 3.319 1.00 0.00 O ATOM 1150 CB THR A 298 6.035 10.342 2.254 1.00 0.00 C ATOM 1151 OG1 THR A 298 4.896 9.805 1.563 1.00 0.00 O ATOM 1152 CG2 THR A 298 5.996 11.862 2.165 1.00 0.00 C ATOM 0 H THR A 298 6.985 7.752 2.052 1.00 0.00 H new ATOM 0 HA THR A 298 7.559 10.323 0.712 1.00 0.00 H new ATOM 0 HB THR A 298 6.016 10.058 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 298 4.659 10.393 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 298 5.075 12.229 2.618 1.00 0.00 H new ATOM 0 HG22 THR A 298 6.852 12.280 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 298 6.032 12.166 1.119 1.00 0.00 H new ATOM 1160 N ALA A 299 9.458 9.013 2.571 1.00 0.00 N ATOM 1161 CA ALA A 299 10.647 9.120 3.418 1.00 0.00 C ATOM 1162 C ALA A 299 11.715 8.118 3.037 1.00 0.00 C ATOM 1163 O ALA A 299 11.567 7.375 2.068 1.00 0.00 O ATOM 1164 CB ALA A 299 10.287 8.964 4.891 1.00 0.00 C ATOM 0 H ALA A 299 9.424 8.176 1.989 1.00 0.00 H new ATOM 0 HA ALA A 299 11.055 10.118 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 299 11.189 9.048 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 299 9.583 9.745 5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 299 9.831 7.987 5.053 1.00 0.00 H new ATOM 1170 N ASP A 300 12.793 8.124 3.811 1.00 0.00 N ATOM 1171 CA ASP A 300 13.925 7.263 3.578 1.00 0.00 C ATOM 1172 C ASP A 300 13.536 5.819 3.775 1.00 0.00 C ATOM 1173 O ASP A 300 12.557 5.506 4.454 1.00 0.00 O ATOM 1174 CB ASP A 300 15.074 7.623 4.524 1.00 0.00 C ATOM 1175 CG ASP A 300 15.571 9.040 4.326 1.00 0.00 C ATOM 1176 OD1 ASP A 300 15.035 9.960 4.981 1.00 0.00 O ATOM 1177 OD2 ASP A 300 16.497 9.245 3.518 1.00 0.00 O1- ATOM 0 H ASP A 300 12.898 8.734 4.622 1.00 0.00 H new ATOM 0 HA ASP A 300 14.256 7.404 2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 300 14.743 7.499 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 300 15.899 6.928 4.368 1.00 0.00 H new ATOM 1182 N ALA A 301 14.320 4.952 3.193 1.00 0.00 N ATOM 1183 CA ALA A 301 14.052 3.528 3.245 1.00 0.00 C ATOM 1184 C ALA A 301 15.346 2.750 3.437 1.00 0.00 C ATOM 1185 O ALA A 301 16.436 3.299 3.275 1.00 0.00 O ATOM 1186 CB ALA A 301 13.320 3.078 1.986 1.00 0.00 C ATOM 0 H ALA A 301 15.159 5.204 2.671 1.00 0.00 H new ATOM 0 HA ALA A 301 13.407 3.324 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 301 13.126 2.007 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 301 12.374 3.614 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 301 13.935 3.291 1.112 1.00 0.00 H new ATOM 1192 N ASN A 302 15.232 1.476 3.781 1.00 0.00 N ATOM 1193 CA ASN A 302 16.408 0.675 4.098 1.00 0.00 C ATOM 1194 C ASN A 302 16.338 -0.708 3.462 1.00 0.00 C ATOM 1195 O ASN A 302 15.382 -1.445 3.689 1.00 0.00 O ATOM 1196 CB ASN A 302 16.534 0.497 5.613 1.00 0.00 C ATOM 1197 CG ASN A 302 16.755 1.803 6.352 1.00 0.00 C ATOM 1198 OD1 ASN A 302 15.805 2.472 6.753 1.00 0.00 O ATOM 1199 ND2 ASN A 302 18.010 2.170 6.546 1.00 0.00 N ATOM 0 H ASN A 302 14.345 0.976 3.848 1.00 0.00 H new ATOM 0 HA ASN A 302 17.272 1.207 3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 302 15.630 0.021 5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 302 17.363 -0.178 5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 302 18.217 3.036 7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 302 18.771 1.587 6.198 1.00 0.00 H new ATOM 1206 N SER A 303 17.324 -1.057 2.646 1.00 0.00 N ATOM 1207 CA SER A 303 17.509 -2.437 2.260 1.00 0.00 C ATOM 1208 C SER A 303 18.760 -2.987 2.946 1.00 0.00 C ATOM 1209 O SER A 303 19.880 -2.797 2.464 1.00 0.00 O ATOM 1210 CB SER A 303 17.635 -2.523 0.745 1.00 0.00 C ATOM 1211 OG SER A 303 17.767 -1.224 0.185 1.00 0.00 O ATOM 0 H SER A 303 17.999 -0.406 2.245 1.00 0.00 H new ATOM 0 HA SER A 303 16.652 -3.035 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 303 18.500 -3.130 0.479 1.00 0.00 H new ATOM 0 HB3 SER A 303 16.758 -3.018 0.328 1.00 0.00 H new ATOM 0 HG SER A 303 18.636 -0.847 0.435 1.00 0.00 H new ATOM 1217 N ASP A 304 18.567 -3.632 4.089 1.00 0.00 N ATOM 1218 CA ASP A 304 19.685 -4.161 4.867 1.00 0.00 C ATOM 1219 C ASP A 304 19.843 -5.660 4.647 1.00 0.00 C ATOM 1220 O ASP A 304 19.188 -6.233 3.783 1.00 0.00 O ATOM 1221 CB ASP A 304 19.483 -3.885 6.357 1.00 0.00 C ATOM 1222 CG ASP A 304 18.366 -4.719 6.941 1.00 0.00 C ATOM 1223 OD1 ASP A 304 17.198 -4.352 6.752 1.00 0.00 O ATOM 1224 OD2 ASP A 304 18.657 -5.758 7.574 1.00 0.00 O1- ATOM 0 H ASP A 304 17.649 -3.803 4.500 1.00 0.00 H new ATOM 0 HA ASP A 304 20.590 -3.657 4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 304 20.409 -4.093 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 304 19.261 -2.828 6.503 1.00 0.00 H new ATOM 1229 N SER A 305 20.697 -6.297 5.441 1.00 0.00 N ATOM 1230 CA SER A 305 21.002 -7.713 5.270 1.00 0.00 C ATOM 1231 C SER A 305 19.747 -8.576 5.413 1.00 0.00 C ATOM 1232 O SER A 305 19.593 -9.588 4.724 1.00 0.00 O ATOM 1233 CB SER A 305 22.042 -8.136 6.303 1.00 0.00 C ATOM 1234 OG SER A 305 22.579 -9.414 6.013 1.00 0.00 O ATOM 0 H SER A 305 21.193 -5.852 6.213 1.00 0.00 H new ATOM 0 HA SER A 305 21.396 -7.860 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 305 22.847 -7.401 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 305 21.587 -8.149 7.293 1.00 0.00 H new ATOM 0 HG SER A 305 23.242 -9.652 6.694 1.00 0.00 H new ATOM 1240 N GLY A 306 18.836 -8.153 6.278 1.00 0.00 N ATOM 1241 CA GLY A 306 17.602 -8.886 6.469 1.00 0.00 C ATOM 1242 C GLY A 306 16.478 -8.270 5.677 1.00 0.00 C ATOM 1243 O GLY A 306 15.343 -8.758 5.695 1.00 0.00 O ATOM 0 H GLY A 306 18.930 -7.315 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 306 17.740 -9.923 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 306 17.342 -8.897 7.527 1.00 0.00 H new ATOM 1247 N GLY A 307 16.812 -7.206 4.960 1.00 0.00 N ATOM 1248 CA GLY A 307 15.848 -6.514 4.138 1.00 0.00 C ATOM 1249 C GLY A 307 14.652 -5.944 4.891 1.00 0.00 C ATOM 1250 O GLY A 307 13.531 -6.078 4.423 1.00 0.00 O ATOM 0 H GLY A 307 17.750 -6.807 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 307 16.353 -5.700 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 307 15.484 -7.201 3.374 1.00 0.00 H new ATOM 1254 N ASP A 308 14.843 -5.320 6.049 1.00 0.00 N ATOM 1255 CA ASP A 308 13.702 -4.702 6.722 1.00 0.00 C ATOM 1256 C ASP A 308 13.520 -3.267 6.229 1.00 0.00 C ATOM 1257 O ASP A 308 14.346 -2.389 6.480 1.00 0.00 O ATOM 1258 CB ASP A 308 13.782 -4.771 8.267 1.00 0.00 C ATOM 1259 CG ASP A 308 14.841 -3.889 8.918 1.00 0.00 C ATOM 1260 OD1 ASP A 308 14.593 -2.675 9.110 1.00 0.00 O ATOM 1261 OD2 ASP A 308 15.902 -4.418 9.310 1.00 0.00 O1- ATOM 0 H ASP A 308 15.739 -5.229 6.528 1.00 0.00 H new ATOM 0 HA ASP A 308 12.820 -5.285 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 308 12.809 -4.498 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 308 13.970 -5.805 8.556 1.00 0.00 H new ATOM 1266 N VAL A 309 12.450 -3.039 5.478 1.00 0.00 N ATOM 1267 CA VAL A 309 12.168 -1.709 4.952 1.00 0.00 C ATOM 1268 C VAL A 309 10.776 -1.230 5.364 1.00 0.00 C ATOM 1269 O VAL A 309 9.780 -1.540 4.727 1.00 0.00 O ATOM 1270 CB VAL A 309 12.342 -1.640 3.398 1.00 0.00 C ATOM 1271 CG1 VAL A 309 11.783 -2.872 2.700 1.00 0.00 C ATOM 1272 CG2 VAL A 309 11.697 -0.392 2.800 1.00 0.00 C ATOM 0 H VAL A 309 11.767 -3.752 5.221 1.00 0.00 H new ATOM 0 HA VAL A 309 12.903 -1.035 5.392 1.00 0.00 H new ATOM 0 HB VAL A 309 13.418 -1.597 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 309 11.927 -2.777 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 309 12.302 -3.761 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 309 10.719 -2.962 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 309 11.844 -0.388 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 309 10.630 -0.393 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 309 12.156 0.497 3.231 1.00 0.00 H new ATOM 1282 N THR A 310 10.710 -0.481 6.449 1.00 0.00 N ATOM 1283 CA THR A 310 9.443 0.066 6.906 1.00 0.00 C ATOM 1284 C THR A 310 9.319 1.529 6.496 1.00 0.00 C ATOM 1285 O THR A 310 10.129 2.365 6.901 1.00 0.00 O ATOM 1286 CB THR A 310 9.312 -0.052 8.449 1.00 0.00 C ATOM 1287 OG1 THR A 310 9.335 -1.431 8.831 1.00 0.00 O ATOM 1288 CG2 THR A 310 8.031 0.609 8.986 1.00 0.00 C ATOM 0 H THR A 310 11.513 -0.238 7.029 1.00 0.00 H new ATOM 0 HA THR A 310 8.643 -0.509 6.441 1.00 0.00 H new ATOM 0 HB THR A 310 10.159 0.477 8.886 1.00 0.00 H new ATOM 0 HG1 THR A 310 9.254 -1.502 9.805 1.00 0.00 H new ATOM 0 HG21 THR A 310 7.990 0.497 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 310 8.034 1.669 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 310 7.160 0.130 8.539 1.00 0.00 H new ATOM 1296 N VAL A 311 8.316 1.836 5.685 1.00 0.00 N ATOM 1297 CA VAL A 311 8.073 3.212 5.248 1.00 0.00 C ATOM 1298 C VAL A 311 6.588 3.527 5.260 1.00 0.00 C ATOM 1299 O VAL A 311 5.745 2.635 5.186 1.00 0.00 O ATOM 1300 CB VAL A 311 8.621 3.493 3.823 1.00 0.00 C ATOM 1301 CG1 VAL A 311 10.153 3.577 3.814 1.00 0.00 C ATOM 1302 CG2 VAL A 311 8.148 2.412 2.842 1.00 0.00 C ATOM 0 H VAL A 311 7.655 1.154 5.314 1.00 0.00 H new ATOM 0 HA VAL A 311 8.604 3.849 5.955 1.00 0.00 H new ATOM 0 HB VAL A 311 8.229 4.459 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 311 10.501 3.775 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 311 10.477 4.383 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 311 10.571 2.633 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 311 8.542 2.625 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 311 8.507 1.438 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 311 7.059 2.404 2.807 1.00 0.00 H new ATOM 1312 N THR A 312 6.272 4.799 5.362 1.00 0.00 N ATOM 1313 CA THR A 312 4.895 5.236 5.380 1.00 0.00 C ATOM 1314 C THR A 312 4.549 5.935 4.070 1.00 0.00 C ATOM 1315 O THR A 312 5.295 6.789 3.581 1.00 0.00 O ATOM 1316 CB THR A 312 4.648 6.185 6.575 1.00 0.00 C ATOM 1317 OG1 THR A 312 4.786 5.466 7.801 1.00 0.00 O ATOM 1318 CG2 THR A 312 3.271 6.880 6.522 1.00 0.00 C ATOM 0 H THR A 312 6.955 5.553 5.434 1.00 0.00 H new ATOM 0 HA THR A 312 4.253 4.363 5.492 1.00 0.00 H new ATOM 0 HB THR A 312 5.399 6.973 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 312 3.957 5.538 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 312 3.159 7.532 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 312 3.197 7.472 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 312 2.483 6.127 6.530 1.00 0.00 H new ATOM 1326 N LEU A 313 3.413 5.567 3.519 1.00 0.00 N ATOM 1327 CA LEU A 313 2.992 6.041 2.222 1.00 0.00 C ATOM 1328 C LEU A 313 1.944 7.129 2.370 1.00 0.00 C ATOM 1329 O LEU A 313 0.921 6.931 3.020 1.00 0.00 O ATOM 1330 CB LEU A 313 2.460 4.870 1.402 1.00 0.00 C ATOM 1331 CG LEU A 313 3.489 3.758 1.157 1.00 0.00 C ATOM 1332 CD1 LEU A 313 3.577 2.793 2.333 1.00 0.00 C ATOM 1333 CD2 LEU A 313 3.198 3.015 -0.132 1.00 0.00 C ATOM 0 H LEU A 313 2.753 4.927 3.962 1.00 0.00 H new ATOM 0 HA LEU A 313 3.845 6.474 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.596 4.445 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 313 2.109 5.244 0.440 1.00 0.00 H new ATOM 0 HG LEU A 313 4.462 4.240 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 313 4.317 2.022 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 313 3.872 3.338 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.605 2.327 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 313 3.944 2.234 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.207 2.565 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 313 3.234 3.712 -0.970 1.00 0.00 H new ATOM 1345 N SER A 314 2.202 8.281 1.776 1.00 0.00 N ATOM 1346 CA SER A 314 1.334 9.434 1.958 1.00 0.00 C ATOM 1347 C SER A 314 0.864 9.993 0.621 1.00 0.00 C ATOM 1348 O SER A 314 1.600 9.966 -0.369 1.00 0.00 O ATOM 1349 CB SER A 314 2.077 10.513 2.746 1.00 0.00 C ATOM 1350 OG SER A 314 2.650 9.968 3.925 1.00 0.00 O ATOM 0 H SER A 314 3.002 8.444 1.165 1.00 0.00 H new ATOM 0 HA SER A 314 0.452 9.115 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 314 2.858 10.951 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 314 1.390 11.317 3.008 1.00 0.00 H new ATOM 0 HG SER A 314 3.122 10.673 4.415 1.00 0.00 H new ATOM 1632 N VAL A 333 -4.188 -5.524 9.501 1.00 0.00 N ATOM 1633 CA VAL A 333 -3.269 -5.738 8.389 1.00 0.00 C ATOM 1634 C VAL A 333 -3.079 -7.235 8.111 1.00 0.00 C ATOM 1635 O VAL A 333 -2.943 -8.037 9.037 1.00 0.00 O ATOM 1636 CB VAL A 333 -1.897 -5.077 8.670 1.00 0.00 C ATOM 1637 CG1 VAL A 333 -2.067 -3.586 8.912 1.00 0.00 C ATOM 1638 CG2 VAL A 333 -1.198 -5.725 9.857 1.00 0.00 C ATOM 0 HA VAL A 333 -3.708 -5.273 7.507 1.00 0.00 H new ATOM 0 HB VAL A 333 -1.271 -5.226 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.094 -3.136 9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.510 -3.123 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -2.719 -3.429 9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.238 -5.236 10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -1.819 -5.621 10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.035 -6.783 9.650 1.00 0.00 H new ATOM 1648 N GLU A 334 -3.112 -7.615 6.841 1.00 0.00 N ATOM 1649 CA GLU A 334 -2.918 -9.008 6.462 1.00 0.00 C ATOM 1650 C GLU A 334 -1.644 -9.166 5.635 1.00 0.00 C ATOM 1651 O GLU A 334 -1.582 -8.709 4.496 1.00 0.00 O ATOM 1652 CB GLU A 334 -4.115 -9.512 5.652 1.00 0.00 C ATOM 1653 CG GLU A 334 -4.039 -10.993 5.320 1.00 0.00 C ATOM 1654 CD GLU A 334 -4.268 -11.871 6.533 1.00 0.00 C ATOM 1655 OE1 GLU A 334 -3.330 -12.040 7.337 1.00 0.00 O ATOM 1656 OE2 GLU A 334 -5.391 -12.399 6.685 1.00 0.00 O1- ATOM 0 H GLU A 334 -3.271 -6.981 6.058 1.00 0.00 H new ATOM 0 HA GLU A 334 -2.827 -9.597 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.030 -9.319 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.183 -8.943 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.782 -11.230 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.062 -11.217 4.893 1.00 0.00 H new ATOM 1663 N ALA A 335 -0.643 -9.828 6.198 1.00 0.00 N ATOM 1664 CA ALA A 335 0.619 -10.038 5.501 1.00 0.00 C ATOM 1665 C ALA A 335 0.508 -11.189 4.506 1.00 0.00 C ATOM 1666 O ALA A 335 -0.431 -11.988 4.566 1.00 0.00 O ATOM 1667 CB ALA A 335 1.730 -10.321 6.501 1.00 0.00 C ATOM 0 H ALA A 335 -0.680 -10.229 7.135 1.00 0.00 H new ATOM 0 HA ALA A 335 0.857 -9.129 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 335 2.668 -10.476 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.834 -9.474 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 335 1.485 -11.216 7.073 1.00 0.00 H new ATOM 1673 N GLY A 336 1.463 -11.267 3.591 1.00 0.00 N ATOM 1674 CA GLY A 336 1.500 -12.363 2.640 1.00 0.00 C ATOM 1675 C GLY A 336 1.626 -11.894 1.205 1.00 0.00 C ATOM 1676 O GLY A 336 1.967 -12.676 0.317 1.00 0.00 O ATOM 0 H GLY A 336 2.217 -10.588 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 336 2.339 -13.016 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 336 0.593 -12.959 2.744 1.00 0.00 H new ATOM 1680 N ASP A 337 1.356 -10.617 0.975 1.00 0.00 N ATOM 1681 CA ASP A 337 1.437 -10.044 -0.363 1.00 0.00 C ATOM 1682 C ASP A 337 2.877 -9.689 -0.722 1.00 0.00 C ATOM 1683 O ASP A 337 3.801 -9.926 0.061 1.00 0.00 O ATOM 1684 CB ASP A 337 0.548 -8.806 -0.460 1.00 0.00 C ATOM 1685 CG ASP A 337 -0.924 -9.142 -0.322 1.00 0.00 C ATOM 1686 OD1 ASP A 337 -1.619 -8.482 0.476 1.00 0.00 O ATOM 1687 OD2 ASP A 337 -1.399 -10.063 -1.018 1.00 0.00 O1- ATOM 0 H ASP A 337 1.078 -9.955 1.700 1.00 0.00 H new ATOM 0 HA ASP A 337 1.085 -10.791 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 337 0.831 -8.097 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 337 0.718 -8.314 -1.418 1.00 0.00 H new ATOM 1692 N ALA A 338 3.066 -9.113 -1.906 1.00 0.00 N ATOM 1693 CA ALA A 338 4.402 -8.791 -2.391 1.00 0.00 C ATOM 1694 C ALA A 338 4.544 -7.304 -2.713 1.00 0.00 C ATOM 1695 O ALA A 338 3.580 -6.636 -3.098 1.00 0.00 O ATOM 1696 CB ALA A 338 4.740 -9.635 -3.613 1.00 0.00 C ATOM 0 H ALA A 338 2.312 -8.861 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 338 5.108 -9.023 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 338 5.741 -9.383 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 338 4.704 -10.691 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 338 4.017 -9.435 -4.404 1.00 0.00 H new ATOM 1702 N VAL A 339 5.763 -6.812 -2.553 1.00 0.00 N ATOM 1703 CA VAL A 339 6.098 -5.408 -2.753 1.00 0.00 C ATOM 1704 C VAL A 339 6.808 -5.216 -4.091 1.00 0.00 C ATOM 1705 O VAL A 339 7.523 -6.107 -4.544 1.00 0.00 O ATOM 1706 CB VAL A 339 7.029 -4.917 -1.603 1.00 0.00 C ATOM 1707 CG1 VAL A 339 7.620 -3.546 -1.907 1.00 0.00 C ATOM 1708 CG2 VAL A 339 6.275 -4.877 -0.289 1.00 0.00 C ATOM 0 H VAL A 339 6.560 -7.385 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 339 5.175 -4.828 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 339 7.851 -5.628 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 339 8.263 -3.236 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 339 8.205 -3.598 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 339 6.815 -2.822 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 339 6.941 -4.532 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 339 5.430 -4.194 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 339 5.912 -5.876 -0.047 1.00 0.00 H new ATOM 1718 N SER A 340 6.602 -4.068 -4.727 1.00 0.00 N ATOM 1719 CA SER A 340 7.337 -3.735 -5.936 1.00 0.00 C ATOM 1720 C SER A 340 7.377 -2.225 -6.160 1.00 0.00 C ATOM 1721 O SER A 340 6.488 -1.496 -5.724 1.00 0.00 O ATOM 1722 CB SER A 340 6.728 -4.460 -7.143 1.00 0.00 C ATOM 1723 OG SER A 340 5.318 -4.331 -7.167 1.00 0.00 O ATOM 0 H SER A 340 5.935 -3.357 -4.426 1.00 0.00 H new ATOM 0 HA SER A 340 8.367 -4.072 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 340 7.148 -4.053 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 340 6.998 -5.516 -7.109 1.00 0.00 H new ATOM 0 HG SER A 340 5.042 -3.635 -6.535 1.00 0.00 H new ATOM 1729 N VAL A 341 8.425 -1.764 -6.826 1.00 0.00 N ATOM 1730 CA VAL A 341 8.638 -0.339 -7.050 1.00 0.00 C ATOM 1731 C VAL A 341 8.392 0.008 -8.518 1.00 0.00 C ATOM 1732 O VAL A 341 8.627 -0.813 -9.403 1.00 0.00 O ATOM 1733 CB VAL A 341 10.085 0.054 -6.655 1.00 0.00 C ATOM 1734 CG1 VAL A 341 10.317 1.553 -6.766 1.00 0.00 C ATOM 1735 CG2 VAL A 341 10.410 -0.430 -5.248 1.00 0.00 C ATOM 0 H VAL A 341 9.149 -2.362 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 341 7.935 0.218 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 341 10.756 -0.436 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 341 11.343 1.785 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 341 10.146 1.873 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 341 9.629 2.078 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 341 11.430 -0.144 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 341 9.717 0.022 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.316 -1.515 -5.206 1.00 0.00 H new ATOM 1745 N VAL A 342 7.886 1.216 -8.767 1.00 0.00 N ATOM 1746 CA VAL A 342 7.658 1.686 -10.131 1.00 0.00 C ATOM 1747 C VAL A 342 8.976 2.131 -10.758 1.00 0.00 C ATOM 1748 O VAL A 342 9.196 1.975 -11.960 1.00 0.00 O ATOM 1749 CB VAL A 342 6.631 2.846 -10.175 1.00 0.00 C ATOM 1750 CG1 VAL A 342 6.584 3.489 -11.559 1.00 0.00 C ATOM 1751 CG2 VAL A 342 5.245 2.343 -9.794 1.00 0.00 C ATOM 0 H VAL A 342 7.627 1.885 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 342 7.245 0.855 -10.703 1.00 0.00 H new ATOM 0 HB VAL A 342 6.950 3.600 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.855 4.299 -11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 342 7.568 3.886 -11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 342 6.296 2.741 -12.298 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.535 3.170 -9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 342 4.934 1.567 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 342 5.272 1.931 -8.785 1.00 0.00 H new