USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 209 THR OG1 : rot -78:sc= 1.23 USER MOD Set 1.2: A 211 GLN :FLIP amide:sc= -0.188 F(o=-0.11!,f=1) USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 MET CE :methyl -159:sc= 0 (180deg=-0.181) USER MOD Single : A 174 LYS NZ :NH3+ 171:sc= 0.722 (180deg=0.299) USER MOD Single : A 180 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.016) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.037) USER MOD Single : A 188 ASN : amide:sc= -0.0587 K(o=-0.059,f=-0.9) USER MOD Single : A 192 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.6) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 195 THR OG1 : rot 180:sc= 0.00933 USER MOD Single : A 197 GLN :FLIP amide:sc= -0.0677 F(o=-0.86,f=-0.068) USER MOD Single : A 198 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.12) USER MOD Single : A 200 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 204 GLN : amide:sc= -0.584 K(o=-0.58,f=-2.7!) USER MOD Single : A 205 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.29) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 213 MET CE :methyl 132:sc= -0.0928 (180deg=-0.659) USER MOD Single : A 217 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.14) USER MOD Single : A 220 TYR OH : rot 50:sc= -0.847 USER MOD Single : A 221 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000754) USER MOD Single : A 223 HIS : no HD1:sc= 0.43 K(o=0.43,f=-3.2!) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 225 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.6) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 117 SER OG : rot -94:sc= 0.87 USER MOD Single : B 118 LYS NZ :NH3+ 162:sc= -0.0369 (180deg=-0.352) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.109 USER MOD Single : B 122 SER OG : rot 80:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.322 2.631 -7.708 1.00 5.81 N ATOM 201 CA LEU A 169 -4.892 2.619 -6.316 1.00 5.44 C ATOM 202 C LEU A 169 -3.984 1.434 -6.036 1.00 5.18 C ATOM 203 O LEU A 169 -2.940 1.575 -5.395 1.00 5.07 O ATOM 204 CB LEU A 169 -6.099 2.571 -5.377 1.00 5.36 C ATOM 205 CG LEU A 169 -7.022 3.792 -5.419 1.00 5.65 C ATOM 206 CD1 LEU A 169 -8.149 3.636 -4.404 1.00 5.76 C ATOM 207 CD2 LEU A 169 -6.235 5.070 -5.159 1.00 5.82 C ATOM 0 HA LEU A 169 -4.335 3.539 -6.136 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.687 1.685 -5.617 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.737 2.447 -4.356 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.460 3.862 -6.415 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -8.798 4.511 -4.444 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -8.729 2.743 -4.638 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.727 3.543 -3.403 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -6.909 5.926 -5.193 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -5.767 5.016 -4.176 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -5.465 5.184 -5.922 1.00 5.82 H new ATOM 219 N VAL A 170 -4.370 0.267 -6.534 1.00 5.20 N ATOM 220 CA VAL A 170 -3.593 -0.942 -6.320 1.00 5.06 C ATOM 221 C VAL A 170 -2.265 -0.890 -7.078 1.00 5.34 C ATOM 222 O VAL A 170 -1.256 -1.434 -6.626 1.00 5.28 O ATOM 223 CB VAL A 170 -4.370 -2.214 -6.736 1.00 5.24 C ATOM 224 CG1 VAL A 170 -3.661 -3.467 -6.235 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.798 -2.166 -6.218 1.00 5.42 C ATOM 0 H VAL A 170 -5.216 0.134 -7.088 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.395 -0.994 -5.249 1.00 5.06 H new ATOM 0 HB VAL A 170 -4.402 -2.251 -7.825 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -4.224 -4.350 -6.538 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -2.658 -3.512 -6.660 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -3.593 -3.436 -5.148 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -6.326 -3.070 -6.522 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.788 -2.100 -5.130 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -6.305 -1.294 -6.630 1.00 5.42 H new ATOM 235 N ASN A 171 -2.268 -0.211 -8.218 1.00 5.77 N ATOM 236 CA ASN A 171 -1.067 -0.090 -9.049 1.00 6.24 C ATOM 237 C ASN A 171 -0.035 0.828 -8.401 1.00 6.25 C ATOM 238 O ASN A 171 1.172 0.624 -8.536 1.00 6.59 O ATOM 239 CB ASN A 171 -1.418 0.450 -10.438 1.00 6.76 C ATOM 240 CG ASN A 171 -1.746 -0.651 -11.426 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.855 -1.267 -12.002 1.00 7.47 O ATOM 242 ND2 ASN A 171 -3.030 -0.889 -11.648 1.00 7.80 N ATOM 0 H ASN A 171 -3.088 0.267 -8.593 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.641 -1.088 -9.146 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.270 1.125 -10.357 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -0.581 1.036 -10.818 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -3.307 -1.606 -12.318 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -3.741 -0.355 -11.149 1.00 7.80 H new ATOM 249 N GLN A 172 -0.520 1.822 -7.672 1.00 6.00 N ATOM 250 CA GLN A 172 0.352 2.784 -7.010 1.00 6.13 C ATOM 251 C GLN A 172 0.955 2.200 -5.745 1.00 5.80 C ATOM 252 O GLN A 172 1.951 2.704 -5.236 1.00 6.06 O ATOM 253 CB GLN A 172 -0.426 4.053 -6.673 1.00 6.13 C ATOM 254 CG GLN A 172 -0.670 4.954 -7.869 1.00 6.58 C ATOM 255 CD GLN A 172 -1.570 6.120 -7.529 1.00 6.95 C ATOM 256 OE1 GLN A 172 -1.105 7.205 -7.174 1.00 7.27 O ATOM 257 NE2 GLN A 172 -2.871 5.899 -7.620 1.00 7.22 N ATOM 0 H GLN A 172 -1.516 1.985 -7.523 1.00 6.00 H new ATOM 0 HA GLN A 172 1.164 3.028 -7.695 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.385 3.775 -6.237 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.120 4.612 -5.913 1.00 6.13 H new ATOM 0 HG2 GLN A 172 0.284 5.329 -8.240 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.119 4.373 -8.674 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -3.214 4.986 -7.918 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -3.532 6.642 -7.392 1.00 7.22 H new ATOM 266 N MET A 173 0.339 1.145 -5.231 1.00 5.33 N ATOM 267 CA MET A 173 0.828 0.494 -4.022 1.00 5.03 C ATOM 268 C MET A 173 1.891 -0.545 -4.354 1.00 5.21 C ATOM 269 O MET A 173 2.276 -1.345 -3.505 1.00 5.01 O ATOM 270 CB MET A 173 -0.323 -0.173 -3.269 1.00 4.54 C ATOM 271 CG MET A 173 -1.244 0.805 -2.560 1.00 4.49 C ATOM 272 SD MET A 173 -1.354 0.518 -0.781 1.00 4.57 S ATOM 273 CE MET A 173 0.144 1.318 -0.209 1.00 4.49 C ATOM 0 H MET A 173 -0.499 0.722 -5.631 1.00 5.33 H new ATOM 0 HA MET A 173 1.274 1.261 -3.389 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.909 -0.765 -3.972 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.089 -0.866 -2.535 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.890 1.821 -2.736 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.241 0.735 -2.995 1.00 4.49 H new ATOM 0 HE1 MET A 173 0.415 0.924 0.771 1.00 4.49 H new ATOM 0 HE2 MET A 173 0.952 1.124 -0.914 1.00 4.49 H new ATOM 0 HE3 MET A 173 -0.023 2.393 -0.135 1.00 4.49 H new ATOM 283 N LYS A 174 2.358 -0.531 -5.594 1.00 5.68 N ATOM 284 CA LYS A 174 3.379 -1.474 -6.026 1.00 6.02 C ATOM 285 C LYS A 174 4.746 -0.808 -6.012 1.00 6.49 C ATOM 286 O LYS A 174 5.553 -1.038 -5.113 1.00 6.55 O ATOM 287 CB LYS A 174 3.067 -2.015 -7.426 1.00 6.45 C ATOM 288 CG LYS A 174 1.723 -2.722 -7.532 1.00 6.44 C ATOM 289 CD LYS A 174 1.661 -3.930 -6.612 1.00 6.92 C ATOM 290 CE LYS A 174 0.261 -4.514 -6.547 1.00 7.15 C ATOM 291 NZ LYS A 174 0.232 -5.768 -5.757 1.00 7.76 N1+ ATOM 0 H LYS A 174 2.048 0.120 -6.316 1.00 5.68 H new ATOM 0 HA LYS A 174 3.386 -2.313 -5.331 1.00 6.02 H new ATOM 0 HB2 LYS A 174 3.088 -1.189 -8.137 1.00 6.45 H new ATOM 0 HB3 LYS A 174 3.855 -2.709 -7.720 1.00 6.45 H new ATOM 0 HG2 LYS A 174 0.923 -2.027 -7.278 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.556 -3.037 -8.562 1.00 6.44 H new ATOM 0 HD2 LYS A 174 2.357 -4.691 -6.964 1.00 6.92 H new ATOM 0 HD3 LYS A 174 1.982 -3.642 -5.611 1.00 6.92 H new ATOM 0 HE2 LYS A 174 -0.418 -3.786 -6.102 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.100 -4.710 -7.557 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.755 -6.059 -5.603 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.737 -6.516 -6.274 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.694 -5.610 -4.838 1.00 7.76 H new ATOM 305 N VAL A 175 5.001 0.038 -6.997 1.00 6.90 N ATOM 306 CA VAL A 175 6.270 0.725 -7.073 1.00 7.46 C ATOM 307 C VAL A 175 6.152 2.081 -6.407 1.00 7.44 C ATOM 308 O VAL A 175 5.929 3.104 -7.058 1.00 7.78 O ATOM 309 CB VAL A 175 6.746 0.894 -8.531 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.150 1.473 -8.567 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.693 -0.435 -9.267 1.00 8.33 C ATOM 0 H VAL A 175 4.348 0.261 -7.748 1.00 6.90 H new ATOM 0 HA VAL A 175 7.012 0.119 -6.554 1.00 7.46 H new ATOM 0 HB VAL A 175 6.075 1.590 -9.035 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.471 1.586 -9.603 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.155 2.447 -8.078 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.834 0.802 -8.047 1.00 8.62 H new ATOM 0 HG21 VAL A 175 7.032 -0.296 -10.294 1.00 8.33 H new ATOM 0 HG22 VAL A 175 7.340 -1.155 -8.765 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.669 -0.808 -9.271 1.00 8.33 H new ATOM 321 N ALA A 176 6.277 2.072 -5.096 1.00 7.10 N ATOM 322 CA ALA A 176 6.202 3.286 -4.308 1.00 7.14 C ATOM 323 C ALA A 176 7.143 3.212 -3.114 1.00 7.24 C ATOM 324 O ALA A 176 7.240 2.178 -2.451 1.00 6.92 O ATOM 325 CB ALA A 176 4.778 3.521 -3.842 1.00 6.59 C ATOM 0 H ALA A 176 6.433 1.226 -4.548 1.00 7.10 H new ATOM 0 HA ALA A 176 6.510 4.123 -4.935 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.735 4.436 -3.251 1.00 6.59 H new ATOM 0 HB2 ALA A 176 4.123 3.617 -4.708 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.451 2.679 -3.232 1.00 6.59 H new ATOM 331 N PRO A 177 7.899 4.287 -2.866 1.00 7.75 N ATOM 332 CA PRO A 177 8.819 4.359 -1.735 1.00 7.96 C ATOM 333 C PRO A 177 8.123 4.794 -0.446 1.00 7.58 C ATOM 334 O PRO A 177 7.168 5.572 -0.472 1.00 7.42 O ATOM 335 CB PRO A 177 9.821 5.414 -2.187 1.00 8.76 C ATOM 336 CG PRO A 177 9.032 6.337 -3.047 1.00 8.86 C ATOM 337 CD PRO A 177 7.937 5.518 -3.682 1.00 8.23 C ATOM 0 HA PRO A 177 9.265 3.393 -1.498 1.00 7.96 H new ATOM 0 HB2 PRO A 177 10.255 5.939 -1.336 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.647 4.966 -2.740 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.612 7.151 -2.456 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.666 6.791 -3.809 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.982 6.042 -3.660 1.00 8.23 H new ATOM 0 HD3 PRO A 177 8.156 5.299 -4.727 1.00 8.23 H new ATOM 345 N ILE A 178 8.617 4.294 0.672 1.00 7.53 N ATOM 346 CA ILE A 178 8.060 4.624 1.976 1.00 7.29 C ATOM 347 C ILE A 178 8.593 5.975 2.447 1.00 7.90 C ATOM 348 O ILE A 178 9.796 6.231 2.351 1.00 8.45 O ATOM 349 CB ILE A 178 8.431 3.562 3.036 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.494 2.166 2.423 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.435 3.580 4.181 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.614 1.321 2.990 1.00 6.69 C ATOM 0 H ILE A 178 9.409 3.652 0.705 1.00 7.53 H new ATOM 0 HA ILE A 178 6.976 4.656 1.866 1.00 7.29 H new ATOM 0 HB ILE A 178 9.420 3.812 3.421 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.544 1.659 2.590 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.623 2.254 1.344 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.713 2.826 4.917 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.438 4.564 4.651 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.437 3.364 3.799 1.00 6.79 H new ATOM 0 HD11 ILE A 178 9.606 0.340 2.514 1.00 6.69 H new ATOM 0 HD12 ILE A 178 10.570 1.809 2.800 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.473 1.204 4.065 1.00 6.69 H new ATOM 364 N PRO A 179 7.714 6.870 2.924 1.00 7.89 N ATOM 365 CA PRO A 179 8.131 8.176 3.439 1.00 8.51 C ATOM 366 C PRO A 179 8.885 8.024 4.757 1.00 8.75 C ATOM 367 O PRO A 179 8.694 7.042 5.482 1.00 8.38 O ATOM 368 CB PRO A 179 6.809 8.922 3.645 1.00 8.36 C ATOM 369 CG PRO A 179 5.787 7.854 3.812 1.00 7.74 C ATOM 370 CD PRO A 179 6.250 6.695 2.974 1.00 7.36 C ATOM 0 HA PRO A 179 8.810 8.700 2.767 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.852 9.567 4.522 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.578 9.559 2.791 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.694 7.565 4.859 1.00 7.74 H new ATOM 0 HG3 PRO A 179 4.805 8.201 3.489 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.975 5.740 3.422 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.809 6.718 1.978 1.00 7.36 H new ATOM 378 N LYS A 180 9.721 8.998 5.075 1.00 9.42 N ATOM 379 CA LYS A 180 10.519 8.959 6.295 1.00 9.77 C ATOM 380 C LYS A 180 9.638 8.865 7.531 1.00 9.52 C ATOM 381 O LYS A 180 9.970 8.153 8.478 1.00 9.52 O ATOM 382 CB LYS A 180 11.432 10.182 6.386 1.00 10.55 C ATOM 383 CG LYS A 180 12.535 10.196 5.340 1.00 10.96 C ATOM 384 CD LYS A 180 13.560 9.102 5.592 1.00 11.55 C ATOM 385 CE LYS A 180 14.459 8.899 4.386 1.00 12.03 C ATOM 386 NZ LYS A 180 15.356 7.724 4.545 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.867 9.830 4.504 1.00 9.42 H new ATOM 0 HA LYS A 180 11.139 8.063 6.253 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.829 11.084 6.279 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.883 10.216 7.378 1.00 10.55 H new ATOM 0 HG2 LYS A 180 12.099 10.066 4.349 1.00 10.96 H new ATOM 0 HG3 LYS A 180 13.030 11.167 5.345 1.00 10.96 H new ATOM 0 HD2 LYS A 180 14.166 9.362 6.460 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.048 8.169 5.828 1.00 11.55 H new ATOM 0 HE2 LYS A 180 13.845 8.767 3.495 1.00 12.03 H new ATOM 0 HE3 LYS A 180 15.060 9.794 4.229 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.084 7.740 3.803 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.813 7.760 5.479 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 14.799 6.849 4.465 1.00 12.47 H new ATOM 400 N GLN A 181 8.501 9.559 7.508 1.00 9.38 N ATOM 401 CA GLN A 181 7.566 9.547 8.631 1.00 9.25 C ATOM 402 C GLN A 181 7.107 8.121 8.950 1.00 8.64 C ATOM 403 O GLN A 181 6.805 7.793 10.097 1.00 8.66 O ATOM 404 CB GLN A 181 6.353 10.430 8.324 1.00 9.25 C ATOM 405 CG GLN A 181 6.718 11.865 7.977 1.00 9.84 C ATOM 406 CD GLN A 181 5.505 12.763 7.861 1.00 9.79 C ATOM 407 OE1 GLN A 181 5.094 13.405 8.830 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.917 12.812 6.679 1.00 9.99 N ATOM 0 H GLN A 181 8.205 10.138 6.722 1.00 9.38 H new ATOM 0 HA GLN A 181 8.084 9.944 9.504 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.797 9.994 7.494 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.687 10.432 9.187 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.387 12.261 8.741 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.267 11.879 7.035 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.288 12.265 5.902 1.00 9.99 H new ATOM 0 HE22 GLN A 181 4.092 13.396 6.544 1.00 9.99 H new ATOM 417 N LEU A 182 7.048 7.281 7.929 1.00 8.14 N ATOM 418 CA LEU A 182 6.631 5.899 8.104 1.00 7.55 C ATOM 419 C LEU A 182 7.832 4.976 8.310 1.00 7.61 C ATOM 420 O LEU A 182 7.736 3.963 8.999 1.00 7.33 O ATOM 421 CB LEU A 182 5.806 5.436 6.902 1.00 6.99 C ATOM 422 CG LEU A 182 4.387 6.008 6.817 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.654 5.446 5.608 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.610 5.710 8.090 1.00 6.66 C ATOM 0 H LEU A 182 7.284 7.533 6.969 1.00 8.14 H new ATOM 0 HA LEU A 182 6.012 5.848 9.000 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.342 5.703 5.991 1.00 6.99 H new ATOM 0 HB3 LEU A 182 5.740 4.348 6.926 1.00 6.99 H new ATOM 0 HG LEU A 182 4.464 7.089 6.704 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.648 5.864 5.565 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.195 5.709 4.699 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.592 4.361 5.692 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.605 6.125 8.009 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.547 4.631 8.234 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.120 6.160 8.942 1.00 6.66 H new ATOM 436 N LEU A 183 8.963 5.332 7.711 1.00 8.04 N ATOM 437 CA LEU A 183 10.184 4.532 7.822 1.00 8.24 C ATOM 438 C LEU A 183 10.688 4.472 9.258 1.00 8.55 C ATOM 439 O LEU A 183 11.244 3.465 9.691 1.00 8.54 O ATOM 440 CB LEU A 183 11.276 5.108 6.925 1.00 8.80 C ATOM 441 CG LEU A 183 11.284 4.585 5.491 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.042 5.536 4.580 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.897 3.195 5.438 1.00 8.25 C ATOM 0 H LEU A 183 9.063 6.172 7.141 1.00 8.04 H new ATOM 0 HA LEU A 183 9.941 3.519 7.502 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.167 6.192 6.898 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.245 4.896 7.377 1.00 8.80 H new ATOM 0 HG LEU A 183 10.254 4.523 5.141 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.037 5.146 3.562 1.00 9.31 H new ATOM 0 HD12 LEU A 183 11.563 6.515 4.596 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.071 5.630 4.927 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.896 2.836 4.409 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.922 3.235 5.807 1.00 8.25 H new ATOM 0 HD23 LEU A 183 11.314 2.516 6.060 1.00 8.25 H new ATOM 455 N GLN A 184 10.474 5.550 9.999 1.00 8.87 N ATOM 456 CA GLN A 184 10.911 5.625 11.390 1.00 9.25 C ATOM 457 C GLN A 184 10.067 4.721 12.287 1.00 8.85 C ATOM 458 O GLN A 184 10.303 4.633 13.492 1.00 9.14 O ATOM 459 CB GLN A 184 10.852 7.071 11.884 1.00 9.76 C ATOM 460 CG GLN A 184 11.673 8.036 11.043 1.00 10.33 C ATOM 461 CD GLN A 184 13.155 7.727 11.066 1.00 10.90 C ATOM 462 OE1 GLN A 184 13.658 6.952 10.251 1.00 11.17 O ATOM 463 NE2 GLN A 184 13.873 8.342 11.988 1.00 11.29 N ATOM 0 H GLN A 184 10.000 6.387 9.661 1.00 8.87 H new ATOM 0 HA GLN A 184 11.942 5.275 11.439 1.00 9.25 H new ATOM 0 HB2 GLN A 184 9.813 7.402 11.891 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.206 7.109 12.914 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.317 8.005 10.013 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.513 9.052 11.405 1.00 10.33 H new ATOM 0 HE21 GLN A 184 13.422 8.977 12.646 1.00 11.29 H new ATOM 0 HE22 GLN A 184 14.879 8.182 12.042 1.00 11.29 H new ATOM 472 N ARG A 185 9.072 4.068 11.700 1.00 8.24 N ATOM 473 CA ARG A 185 8.199 3.171 12.443 1.00 7.89 C ATOM 474 C ARG A 185 8.700 1.730 12.369 1.00 7.66 C ATOM 475 O ARG A 185 8.134 0.838 13.004 1.00 7.54 O ATOM 476 CB ARG A 185 6.772 3.239 11.897 1.00 7.40 C ATOM 477 CG ARG A 185 5.982 4.446 12.369 1.00 7.66 C ATOM 478 CD ARG A 185 4.726 4.627 11.535 1.00 7.53 C ATOM 479 NE ARG A 185 3.692 5.390 12.232 1.00 7.91 N ATOM 480 CZ ARG A 185 3.477 6.695 12.064 1.00 8.28 C ATOM 481 NH1 ARG A 185 4.287 7.420 11.304 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 2.462 7.280 12.684 1.00 8.81 N ATOM 0 H ARG A 185 8.850 4.144 10.707 1.00 8.24 H new ATOM 0 HA ARG A 185 8.205 3.493 13.484 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.812 3.248 10.808 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.240 2.334 12.189 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.713 4.323 13.418 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.601 5.341 12.302 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.982 5.135 10.605 1.00 7.53 H new ATOM 0 HD3 ARG A 185 4.330 3.648 11.265 1.00 7.53 H new ATOM 0 HE ARG A 185 3.095 4.890 12.891 1.00 7.91 H new ATOM 0 HH11 ARG A 185 5.083 6.980 10.842 1.00 8.35 H new ATOM 0 HH12 ARG A 185 4.114 8.418 11.182 1.00 8.35 H new ATOM 0 HH21 ARG A 185 1.849 6.732 13.287 1.00 8.81 H new ATOM 0 HH22 ARG A 185 2.294 8.278 12.558 1.00 8.81 H new ATOM 496 N ILE A 186 9.751 1.500 11.583 1.00 7.69 N ATOM 497 CA ILE A 186 10.316 0.160 11.439 1.00 7.57 C ATOM 498 C ILE A 186 11.797 0.159 11.817 1.00 8.20 C ATOM 499 O ILE A 186 12.663 0.369 10.966 1.00 8.43 O ATOM 500 CB ILE A 186 10.163 -0.382 9.998 1.00 7.11 C ATOM 501 CG1 ILE A 186 8.745 -0.140 9.468 1.00 6.84 C ATOM 502 CG2 ILE A 186 10.495 -1.870 9.956 1.00 6.83 C ATOM 503 CD1 ILE A 186 8.577 -0.490 8.005 1.00 6.52 C ATOM 0 H ILE A 186 10.226 2.220 11.039 1.00 7.69 H new ATOM 0 HA ILE A 186 9.760 -0.491 12.113 1.00 7.57 H new ATOM 0 HB ILE A 186 10.862 0.155 9.357 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.041 -0.728 10.057 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.485 0.908 9.614 1.00 6.84 H new ATOM 0 HG21 ILE A 186 10.383 -2.239 8.936 1.00 6.83 H new ATOM 0 HG22 ILE A 186 11.522 -2.023 10.287 1.00 6.83 H new ATOM 0 HG23 ILE A 186 9.817 -2.413 10.615 1.00 6.83 H new ATOM 0 HD11 ILE A 186 7.549 -0.293 7.700 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.256 0.116 7.406 1.00 6.52 H new ATOM 0 HD13 ILE A 186 8.804 -1.545 7.855 1.00 6.52 H new ATOM 515 N PRO A 187 12.109 -0.035 13.107 1.00 8.55 N ATOM 516 CA PRO A 187 13.479 -0.072 13.600 1.00 9.18 C ATOM 517 C PRO A 187 14.021 -1.495 13.707 1.00 9.19 C ATOM 518 O PRO A 187 13.466 -2.426 13.116 1.00 8.73 O ATOM 519 CB PRO A 187 13.321 0.552 14.983 1.00 9.56 C ATOM 520 CG PRO A 187 11.956 0.140 15.447 1.00 9.11 C ATOM 521 CD PRO A 187 11.151 -0.209 14.212 1.00 8.45 C ATOM 0 HA PRO A 187 14.186 0.438 12.946 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.093 0.197 15.666 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.411 1.637 14.938 1.00 9.56 H new ATOM 0 HG2 PRO A 187 12.020 -0.716 16.119 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.478 0.947 16.003 1.00 9.11 H new ATOM 0 HD2 PRO A 187 10.773 -1.230 14.256 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.287 0.446 14.099 1.00 8.45 H new ATOM 529 N ASN A 188 15.138 -1.634 14.433 1.00 9.77 N ATOM 530 CA ASN A 188 15.799 -2.920 14.685 1.00 9.94 C ATOM 531 C ASN A 188 16.508 -3.469 13.447 1.00 9.83 C ATOM 532 O ASN A 188 17.455 -4.247 13.559 1.00 9.99 O ATOM 533 CB ASN A 188 14.780 -3.948 15.181 1.00 9.66 C ATOM 534 CG ASN A 188 15.322 -4.839 16.275 1.00 9.91 C ATOM 535 OD1 ASN A 188 16.533 -4.949 16.472 1.00 10.35 O ATOM 536 ND2 ASN A 188 14.425 -5.491 16.987 1.00 9.83 N ATOM 0 H ASN A 188 15.615 -0.844 14.868 1.00 9.77 H new ATOM 0 HA ASN A 188 16.556 -2.740 15.448 1.00 9.94 H new ATOM 0 HB2 ASN A 188 13.897 -3.427 15.549 1.00 9.66 H new ATOM 0 HB3 ASN A 188 14.459 -4.566 14.343 1.00 9.66 H new ATOM 0 HD21 ASN A 188 14.724 -6.116 17.735 1.00 9.83 H new ATOM 0 HD22 ASN A 188 13.432 -5.370 16.790 1.00 9.83 H new ATOM 543 N ILE A 189 16.087 -3.028 12.271 1.00 9.66 N ATOM 544 CA ILE A 189 16.674 -3.494 11.027 1.00 9.64 C ATOM 545 C ILE A 189 16.942 -2.330 10.081 1.00 9.96 C ATOM 546 O ILE A 189 16.131 -1.406 9.972 1.00 9.97 O ATOM 547 CB ILE A 189 15.749 -4.513 10.316 1.00 9.24 C ATOM 548 CG1 ILE A 189 14.339 -3.933 10.158 1.00 9.23 C ATOM 549 CG2 ILE A 189 15.720 -5.833 11.082 1.00 9.06 C ATOM 550 CD1 ILE A 189 13.499 -4.628 9.105 1.00 9.09 C ATOM 0 H ILE A 189 15.338 -2.345 12.154 1.00 9.66 H new ATOM 0 HA ILE A 189 17.615 -3.981 11.282 1.00 9.64 H new ATOM 0 HB ILE A 189 16.146 -4.712 9.320 1.00 9.24 H new ATOM 0 HG12 ILE A 189 13.823 -3.993 11.117 1.00 9.23 H new ATOM 0 HG13 ILE A 189 14.419 -2.876 9.904 1.00 9.23 H new ATOM 0 HG21 ILE A 189 15.065 -6.537 10.569 1.00 9.06 H new ATOM 0 HG22 ILE A 189 16.728 -6.246 11.134 1.00 9.06 H new ATOM 0 HG23 ILE A 189 15.346 -5.660 12.091 1.00 9.06 H new ATOM 0 HD11 ILE A 189 12.517 -4.159 9.055 1.00 9.09 H new ATOM 0 HD12 ILE A 189 13.990 -4.546 8.135 1.00 9.09 H new ATOM 0 HD13 ILE A 189 13.386 -5.680 9.366 1.00 9.09 H new ATOM 562 N PRO A 190 18.108 -2.333 9.420 1.00 10.38 N ATOM 563 CA PRO A 190 18.475 -1.298 8.463 1.00 10.85 C ATOM 564 C PRO A 190 18.018 -1.651 7.046 1.00 10.73 C ATOM 565 O PRO A 190 18.564 -2.565 6.418 1.00 11.03 O ATOM 566 CB PRO A 190 19.996 -1.287 8.559 1.00 11.43 C ATOM 567 CG PRO A 190 20.379 -2.692 8.893 1.00 11.22 C ATOM 568 CD PRO A 190 19.192 -3.326 9.582 1.00 10.57 C ATOM 0 HA PRO A 190 18.013 -0.334 8.676 1.00 10.85 H new ATOM 0 HB2 PRO A 190 20.447 -0.969 7.619 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.337 -0.593 9.327 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.641 -3.245 7.991 1.00 11.22 H new ATOM 0 HG3 PRO A 190 21.255 -2.708 9.542 1.00 11.22 H new ATOM 0 HD2 PRO A 190 18.930 -4.281 9.126 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.399 -3.522 10.634 1.00 10.57 H new ATOM 576 N PRO A 191 16.995 -0.955 6.524 1.00 10.37 N ATOM 577 CA PRO A 191 16.476 -1.219 5.184 1.00 10.30 C ATOM 578 C PRO A 191 17.408 -0.697 4.095 1.00 10.68 C ATOM 579 O PRO A 191 17.786 -1.436 3.180 1.00 10.94 O ATOM 580 CB PRO A 191 15.136 -0.456 5.154 1.00 9.89 C ATOM 581 CG PRO A 191 14.916 0.073 6.535 1.00 9.82 C ATOM 582 CD PRO A 191 16.262 0.127 7.191 1.00 10.13 C ATOM 0 HA PRO A 191 16.374 -2.287 4.991 1.00 10.30 H new ATOM 0 HB2 PRO A 191 15.169 0.357 4.428 1.00 9.89 H new ATOM 0 HB3 PRO A 191 14.321 -1.116 4.857 1.00 9.89 H new ATOM 0 HG2 PRO A 191 14.460 1.063 6.503 1.00 9.82 H new ATOM 0 HG3 PRO A 191 14.238 -0.572 7.094 1.00 9.82 H new ATOM 0 HD2 PRO A 191 16.745 1.093 7.043 1.00 10.13 H new ATOM 0 HD3 PRO A 191 16.194 -0.034 8.267 1.00 10.13 H new ATOM 590 N ASN A 192 17.797 0.569 4.224 1.00 10.83 N ATOM 591 CA ASN A 192 18.697 1.226 3.272 1.00 11.33 C ATOM 592 C ASN A 192 18.074 1.343 1.883 1.00 11.24 C ATOM 593 O ASN A 192 18.775 1.551 0.891 1.00 11.75 O ATOM 594 CB ASN A 192 20.041 0.493 3.191 1.00 11.90 C ATOM 595 CG ASN A 192 20.913 0.754 4.405 1.00 12.46 C ATOM 596 OD1 ASN A 192 20.834 0.044 5.407 1.00 12.68 O ATOM 597 ND2 ASN A 192 21.753 1.774 4.322 1.00 12.84 N ATOM 0 H ASN A 192 17.498 1.171 4.991 1.00 10.83 H new ATOM 0 HA ASN A 192 18.870 2.236 3.644 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.863 -0.578 3.098 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.570 0.808 2.292 1.00 11.90 H new ATOM 0 HD21 ASN A 192 22.365 1.995 5.107 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.788 2.338 3.473 1.00 12.84 H new ATOM 604 N ILE A 193 16.757 1.228 1.815 1.00 10.63 N ATOM 605 CA ILE A 193 16.036 1.337 0.553 1.00 10.51 C ATOM 606 C ILE A 193 14.770 2.158 0.749 1.00 9.90 C ATOM 607 O ILE A 193 14.492 2.608 1.860 1.00 9.52 O ATOM 608 CB ILE A 193 15.681 -0.041 -0.052 1.00 10.37 C ATOM 609 CG1 ILE A 193 15.452 -1.092 1.037 1.00 10.58 C ATOM 610 CG2 ILE A 193 16.776 -0.502 -1.001 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.100 -1.001 1.707 1.00 10.26 C ATOM 0 H ILE A 193 16.160 1.058 2.625 1.00 10.63 H new ATOM 0 HA ILE A 193 16.700 1.836 -0.153 1.00 10.51 H new ATOM 0 HB ILE A 193 14.751 0.074 -0.608 1.00 10.37 H new ATOM 0 HG12 ILE A 193 15.563 -2.084 0.599 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.229 -0.990 1.795 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.511 -1.473 -1.418 1.00 10.81 H new ATOM 0 HG22 ILE A 193 16.886 0.222 -1.808 1.00 10.81 H new ATOM 0 HG23 ILE A 193 17.717 -0.585 -0.458 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.017 -1.779 2.465 1.00 10.26 H new ATOM 0 HD12 ILE A 193 13.992 -0.023 2.177 1.00 10.26 H new ATOM 0 HD13 ILE A 193 13.315 -1.134 0.962 1.00 10.26 H new ATOM 623 N ASN A 194 14.001 2.358 -0.315 1.00 9.87 N ATOM 624 CA ASN A 194 12.785 3.160 -0.209 1.00 9.35 C ATOM 625 C ASN A 194 11.573 2.507 -0.876 1.00 8.86 C ATOM 626 O ASN A 194 10.498 2.449 -0.287 1.00 8.57 O ATOM 627 CB ASN A 194 13.013 4.543 -0.826 1.00 9.78 C ATOM 628 CG ASN A 194 13.681 5.508 0.130 1.00 10.10 C ATOM 629 OD1 ASN A 194 14.911 5.583 0.198 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.879 6.259 0.872 1.00 10.17 N ATOM 0 H ASN A 194 14.191 1.985 -1.245 1.00 9.87 H new ATOM 0 HA ASN A 194 12.564 3.245 0.855 1.00 9.35 H new ATOM 0 HB2 ASN A 194 13.628 4.440 -1.720 1.00 9.78 H new ATOM 0 HB3 ASN A 194 12.056 4.957 -1.143 1.00 9.78 H new ATOM 0 HD21 ASN A 194 13.274 6.931 1.530 1.00 10.17 H new ATOM 0 HD22 ASN A 194 11.867 6.165 0.784 1.00 10.17 H new ATOM 637 N THR A 195 11.753 2.002 -2.086 1.00 8.88 N ATOM 638 CA THR A 195 10.657 1.410 -2.846 1.00 8.49 C ATOM 639 C THR A 195 10.217 0.075 -2.256 1.00 7.92 C ATOM 640 O THR A 195 11.052 -0.755 -1.903 1.00 8.08 O ATOM 641 CB THR A 195 11.086 1.203 -4.312 1.00 9.05 C ATOM 642 OG1 THR A 195 11.988 2.254 -4.700 1.00 9.80 O ATOM 643 CG2 THR A 195 9.876 1.192 -5.239 1.00 8.98 C ATOM 0 H THR A 195 12.652 1.989 -2.567 1.00 8.88 H new ATOM 0 HA THR A 195 9.813 2.098 -2.797 1.00 8.49 H new ATOM 0 HB THR A 195 11.586 0.238 -4.394 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.263 2.122 -5.631 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.207 1.044 -6.267 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.206 0.381 -4.953 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.349 2.143 -5.160 1.00 8.98 H new ATOM 651 N TRP A 196 8.897 -0.119 -2.173 1.00 7.29 N ATOM 652 CA TRP A 196 8.309 -1.344 -1.621 1.00 6.73 C ATOM 653 C TRP A 196 8.887 -2.599 -2.273 1.00 7.00 C ATOM 654 O TRP A 196 9.100 -3.609 -1.600 1.00 6.84 O ATOM 655 CB TRP A 196 6.785 -1.332 -1.777 1.00 6.14 C ATOM 656 CG TRP A 196 6.068 -0.535 -0.726 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.157 0.460 -0.938 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.189 -0.667 0.699 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.714 0.958 0.263 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.327 0.282 1.280 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.939 -1.494 1.540 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.194 0.423 2.659 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.808 -1.349 2.910 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.941 -0.398 3.456 1.00 4.82 C ATOM 0 H TRP A 196 8.208 0.566 -2.485 1.00 7.29 H new ATOM 0 HA TRP A 196 8.561 -1.369 -0.561 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.534 -0.929 -2.758 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.420 -2.359 -1.752 1.00 6.14 H new ATOM 0 HD1 TRP A 196 4.832 0.805 -1.908 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.036 1.712 0.377 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.609 -2.234 1.128 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.524 1.156 3.084 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.385 -1.981 3.568 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.860 -0.310 4.529 1.00 4.82 H new ATOM 675 N GLN A 197 9.146 -2.535 -3.573 1.00 7.47 N ATOM 676 CA GLN A 197 9.726 -3.666 -4.291 1.00 7.85 C ATOM 677 C GLN A 197 11.083 -4.029 -3.686 1.00 8.27 C ATOM 678 O GLN A 197 11.400 -5.201 -3.487 1.00 8.37 O ATOM 679 CB GLN A 197 9.878 -3.340 -5.777 1.00 8.38 C ATOM 680 CG GLN A 197 8.560 -3.069 -6.492 1.00 8.33 C ATOM 681 CD GLN A 197 7.625 -4.271 -6.509 1.00 8.43 C ATOM 682 OE1 GLN A 197 8.183 -5.473 -6.559 1.00 8.59 O flip ATOM 683 NE2 GLN A 197 6.407 -4.115 -6.490 1.00 8.60 N flip ATOM 0 H GLN A 197 8.965 -1.715 -4.152 1.00 7.47 H new ATOM 0 HA GLN A 197 9.056 -4.520 -4.195 1.00 7.85 H new ATOM 0 HB2 GLN A 197 10.522 -2.467 -5.883 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.383 -4.171 -6.270 1.00 8.38 H new ATOM 0 HG2 GLN A 197 8.057 -2.233 -6.007 1.00 8.33 H new ATOM 0 HG3 GLN A 197 8.767 -2.764 -7.518 1.00 8.33 H new ATOM 0 HE21 GLN A 197 6.014 -3.175 -6.451 1.00 8.60 H new ATOM 0 HE22 GLN A 197 5.789 -4.926 -6.513 1.00 8.60 H new ATOM 692 N GLN A 198 11.863 -3.002 -3.365 1.00 8.57 N ATOM 693 CA GLN A 198 13.178 -3.186 -2.760 1.00 9.03 C ATOM 694 C GLN A 198 13.024 -3.657 -1.319 1.00 8.61 C ATOM 695 O GLN A 198 13.849 -4.413 -0.804 1.00 8.82 O ATOM 696 CB GLN A 198 13.965 -1.877 -2.794 1.00 9.66 C ATOM 697 CG GLN A 198 14.286 -1.393 -4.197 1.00 10.19 C ATOM 698 CD GLN A 198 15.302 -2.273 -4.898 1.00 10.85 C ATOM 699 OE1 GLN A 198 14.946 -3.257 -5.543 1.00 11.11 O ATOM 700 NE2 GLN A 198 16.574 -1.926 -4.776 1.00 11.29 N ATOM 0 H GLN A 198 11.605 -2.027 -3.515 1.00 8.57 H new ATOM 0 HA GLN A 198 13.723 -3.939 -3.329 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.394 -1.107 -2.275 1.00 9.66 H new ATOM 0 HB3 GLN A 198 14.896 -2.009 -2.243 1.00 9.66 H new ATOM 0 HG2 GLN A 198 13.369 -1.363 -4.786 1.00 10.19 H new ATOM 0 HG3 GLN A 198 14.667 -0.373 -4.147 1.00 10.19 H new ATOM 0 HE21 GLN A 198 16.828 -1.102 -4.232 1.00 11.29 H new ATOM 0 HE22 GLN A 198 17.300 -2.483 -5.226 1.00 11.29 H new ATOM 709 N VAL A 199 11.954 -3.192 -0.677 1.00 8.07 N ATOM 710 CA VAL A 199 11.651 -3.562 0.699 1.00 7.70 C ATOM 711 C VAL A 199 11.300 -5.047 0.762 1.00 7.32 C ATOM 712 O VAL A 199 11.626 -5.745 1.720 1.00 7.31 O ATOM 713 CB VAL A 199 10.478 -2.727 1.267 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.317 -2.967 2.758 1.00 7.19 C ATOM 715 CG2 VAL A 199 10.676 -1.238 0.982 1.00 7.41 C ATOM 0 H VAL A 199 11.278 -2.552 -1.095 1.00 8.07 H new ATOM 0 HA VAL A 199 12.533 -3.360 1.306 1.00 7.70 H new ATOM 0 HB VAL A 199 9.565 -3.050 0.767 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.487 -2.370 3.135 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.115 -4.023 2.937 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.234 -2.681 3.274 1.00 7.19 H new ATOM 0 HG21 VAL A 199 9.838 -0.675 1.392 1.00 7.41 H new ATOM 0 HG22 VAL A 199 11.602 -0.899 1.446 1.00 7.41 H new ATOM 0 HG23 VAL A 199 10.729 -1.078 -0.095 1.00 7.41 H new ATOM 725 N THR A 200 10.644 -5.522 -0.286 1.00 7.10 N ATOM 726 CA THR A 200 10.252 -6.919 -0.385 1.00 6.83 C ATOM 727 C THR A 200 11.461 -7.802 -0.705 1.00 7.39 C ATOM 728 O THR A 200 11.520 -8.968 -0.308 1.00 7.30 O ATOM 729 CB THR A 200 9.169 -7.101 -1.469 1.00 6.60 C ATOM 730 OG1 THR A 200 8.098 -6.176 -1.237 1.00 6.76 O ATOM 731 CG2 THR A 200 8.619 -8.522 -1.475 1.00 6.11 C ATOM 0 H THR A 200 10.370 -4.953 -1.087 1.00 7.10 H new ATOM 0 HA THR A 200 9.844 -7.223 0.579 1.00 6.83 H new ATOM 0 HB THR A 200 9.627 -6.910 -2.439 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.412 -5.263 -1.404 1.00 6.76 H new ATOM 0 HG21 THR A 200 7.859 -8.615 -2.250 1.00 6.11 H new ATOM 0 HG22 THR A 200 9.428 -9.225 -1.675 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.176 -8.745 -0.504 1.00 6.11 H new ATOM 739 N ALA A 201 12.435 -7.225 -1.400 1.00 8.02 N ATOM 740 CA ALA A 201 13.644 -7.944 -1.785 1.00 8.63 C ATOM 741 C ALA A 201 14.408 -8.460 -0.568 1.00 8.64 C ATOM 742 O ALA A 201 14.846 -9.612 -0.547 1.00 8.93 O ATOM 743 CB ALA A 201 14.540 -7.058 -2.637 1.00 9.32 C ATOM 0 H ALA A 201 12.410 -6.254 -1.710 1.00 8.02 H new ATOM 0 HA ALA A 201 13.338 -8.809 -2.373 1.00 8.63 H new ATOM 0 HB1 ALA A 201 15.438 -7.610 -2.916 1.00 9.32 H new ATOM 0 HB2 ALA A 201 14.004 -6.758 -3.537 1.00 9.32 H new ATOM 0 HB3 ALA A 201 14.821 -6.171 -2.069 1.00 9.32 H new ATOM 749 N LEU A 202 14.556 -7.620 0.454 1.00 8.38 N ATOM 750 CA LEU A 202 15.273 -8.017 1.664 1.00 8.45 C ATOM 751 C LEU A 202 14.513 -9.113 2.412 1.00 8.04 C ATOM 752 O LEU A 202 15.110 -9.939 3.105 1.00 8.27 O ATOM 753 CB LEU A 202 15.538 -6.807 2.577 1.00 8.32 C ATOM 754 CG LEU A 202 14.309 -6.008 3.013 1.00 8.50 C ATOM 755 CD1 LEU A 202 13.841 -6.443 4.395 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.615 -4.518 2.998 1.00 9.03 C ATOM 0 H LEU A 202 14.192 -6.667 0.469 1.00 8.38 H new ATOM 0 HA LEU A 202 16.239 -8.421 1.362 1.00 8.45 H new ATOM 0 HB2 LEU A 202 16.053 -7.159 3.471 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.220 -6.132 2.061 1.00 8.32 H new ATOM 0 HG LEU A 202 13.504 -6.206 2.306 1.00 8.50 H new ATOM 0 HD11 LEU A 202 12.966 -5.860 4.683 1.00 8.35 H new ATOM 0 HD12 LEU A 202 13.582 -7.501 4.375 1.00 8.35 H new ATOM 0 HD13 LEU A 202 14.640 -6.279 5.118 1.00 8.35 H new ATOM 0 HD21 LEU A 202 13.731 -3.962 3.310 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.437 -4.308 3.683 1.00 9.03 H new ATOM 0 HD23 LEU A 202 14.897 -4.215 1.990 1.00 9.03 H new ATOM 768 N ALA A 203 13.195 -9.128 2.251 1.00 7.51 N ATOM 769 CA ALA A 203 12.368 -10.132 2.902 1.00 7.19 C ATOM 770 C ALA A 203 12.606 -11.493 2.262 1.00 7.64 C ATOM 771 O ALA A 203 12.620 -12.518 2.944 1.00 7.71 O ATOM 772 CB ALA A 203 10.897 -9.753 2.821 1.00 6.60 C ATOM 0 H ALA A 203 12.680 -8.459 1.678 1.00 7.51 H new ATOM 0 HA ALA A 203 12.645 -10.184 3.955 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.297 -10.518 3.314 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.741 -8.794 3.315 1.00 6.60 H new ATOM 0 HB3 ALA A 203 10.598 -9.675 1.776 1.00 6.60 H new ATOM 778 N GLN A 204 12.831 -11.485 0.950 1.00 8.03 N ATOM 779 CA GLN A 204 13.083 -12.711 0.199 1.00 8.56 C ATOM 780 C GLN A 204 14.425 -13.313 0.596 1.00 9.11 C ATOM 781 O GLN A 204 14.679 -14.492 0.369 1.00 9.51 O ATOM 782 CB GLN A 204 13.061 -12.424 -1.300 1.00 8.89 C ATOM 783 CG GLN A 204 11.727 -11.893 -1.795 1.00 8.56 C ATOM 784 CD GLN A 204 11.825 -11.289 -3.179 1.00 8.93 C ATOM 785 OE1 GLN A 204 12.864 -10.746 -3.561 1.00 9.22 O ATOM 786 NE2 GLN A 204 10.749 -11.368 -3.939 1.00 9.16 N ATOM 0 H GLN A 204 12.844 -10.637 0.383 1.00 8.03 H new ATOM 0 HA GLN A 204 12.297 -13.428 0.434 1.00 8.56 H new ATOM 0 HB2 GLN A 204 13.841 -11.700 -1.535 1.00 8.89 H new ATOM 0 HB3 GLN A 204 13.302 -13.339 -1.841 1.00 8.89 H new ATOM 0 HG2 GLN A 204 10.998 -12.703 -1.806 1.00 8.56 H new ATOM 0 HG3 GLN A 204 11.357 -11.141 -1.098 1.00 8.56 H new ATOM 0 HE21 GLN A 204 9.908 -11.826 -3.587 1.00 9.16 H new ATOM 0 HE22 GLN A 204 10.758 -10.972 -4.879 1.00 9.16 H new ATOM 795 N GLN A 205 15.283 -12.495 1.200 1.00 9.17 N ATOM 796 CA GLN A 205 16.592 -12.955 1.647 1.00 9.72 C ATOM 797 C GLN A 205 16.472 -13.600 3.022 1.00 9.52 C ATOM 798 O GLN A 205 17.472 -13.984 3.629 1.00 9.93 O ATOM 799 CB GLN A 205 17.584 -11.791 1.703 1.00 10.00 C ATOM 800 CG GLN A 205 17.704 -11.028 0.395 1.00 10.36 C ATOM 801 CD GLN A 205 18.562 -9.786 0.517 1.00 10.95 C ATOM 802 OE1 GLN A 205 18.285 -8.768 -0.115 1.00 11.13 O ATOM 803 NE2 GLN A 205 19.613 -9.860 1.320 1.00 11.44 N ATOM 0 H GLN A 205 15.094 -11.511 1.390 1.00 9.17 H new ATOM 0 HA GLN A 205 16.963 -13.691 0.934 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.277 -11.101 2.489 1.00 10.00 H new ATOM 0 HB3 GLN A 205 18.566 -12.175 1.981 1.00 10.00 H new ATOM 0 HG2 GLN A 205 18.128 -11.684 -0.365 1.00 10.36 H new ATOM 0 HG3 GLN A 205 16.709 -10.744 0.052 1.00 10.36 H new ATOM 0 HE21 GLN A 205 19.808 -10.724 1.827 1.00 11.44 H new ATOM 0 HE22 GLN A 205 20.227 -9.053 1.432 1.00 11.44 H new ATOM 812 N LYS A 206 15.230 -13.707 3.501 1.00 8.93 N ATOM 813 CA LYS A 206 14.928 -14.298 4.803 1.00 8.75 C ATOM 814 C LYS A 206 15.504 -13.453 5.935 1.00 8.72 C ATOM 815 O LYS A 206 15.905 -13.973 6.976 1.00 8.89 O ATOM 816 CB LYS A 206 15.439 -15.738 4.889 1.00 9.26 C ATOM 817 CG LYS A 206 14.755 -16.691 3.920 1.00 9.36 C ATOM 818 CD LYS A 206 13.262 -16.792 4.190 1.00 9.64 C ATOM 819 CE LYS A 206 12.615 -17.849 3.314 1.00 9.95 C ATOM 820 NZ LYS A 206 11.149 -17.929 3.533 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.405 -13.385 2.994 1.00 8.93 H new ATOM 0 HA LYS A 206 13.844 -14.319 4.912 1.00 8.75 H new ATOM 0 HB2 LYS A 206 16.512 -15.745 4.695 1.00 9.26 H new ATOM 0 HB3 LYS A 206 15.296 -16.104 5.906 1.00 9.26 H new ATOM 0 HG2 LYS A 206 14.918 -16.349 2.898 1.00 9.36 H new ATOM 0 HG3 LYS A 206 15.207 -17.679 4.001 1.00 9.36 H new ATOM 0 HD2 LYS A 206 13.095 -17.034 5.240 1.00 9.64 H new ATOM 0 HD3 LYS A 206 12.791 -15.826 4.007 1.00 9.64 H new ATOM 0 HE2 LYS A 206 12.814 -17.623 2.266 1.00 9.95 H new ATOM 0 HE3 LYS A 206 13.066 -18.819 3.522 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 10.745 -18.662 2.916 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 10.959 -18.170 4.527 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 10.714 -17.011 3.310 1.00 10.29 H new ATOM 834 N LEU A 207 15.524 -12.146 5.723 1.00 8.58 N ATOM 835 CA LEU A 207 16.031 -11.209 6.719 1.00 8.66 C ATOM 836 C LEU A 207 14.870 -10.572 7.472 1.00 8.06 C ATOM 837 O LEU A 207 15.047 -9.608 8.216 1.00 8.10 O ATOM 838 CB LEU A 207 16.872 -10.118 6.048 1.00 9.02 C ATOM 839 CG LEU A 207 18.136 -10.606 5.337 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.857 -9.442 4.676 1.00 9.96 C ATOM 841 CD2 LEU A 207 19.058 -11.318 6.314 1.00 10.21 C ATOM 0 H LEU A 207 15.193 -11.706 4.864 1.00 8.58 H new ATOM 0 HA LEU A 207 16.660 -11.756 7.422 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.247 -9.596 5.324 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.160 -9.389 6.805 1.00 9.02 H new ATOM 0 HG LEU A 207 17.843 -11.315 4.563 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.754 -9.807 4.175 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.198 -8.974 3.945 1.00 9.96 H new ATOM 0 HD13 LEU A 207 19.137 -8.710 5.434 1.00 9.96 H new ATOM 0 HD21 LEU A 207 19.951 -11.658 5.790 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.344 -10.631 7.111 1.00 10.21 H new ATOM 0 HD23 LEU A 207 18.541 -12.176 6.743 1.00 10.21 H new ATOM 853 N LEU A 208 13.686 -11.126 7.271 1.00 7.59 N ATOM 854 CA LEU A 208 12.478 -10.623 7.900 1.00 7.05 C ATOM 855 C LEU A 208 12.055 -11.523 9.054 1.00 6.95 C ATOM 856 O LEU A 208 11.850 -12.727 8.876 1.00 6.96 O ATOM 857 CB LEU A 208 11.356 -10.544 6.863 1.00 6.63 C ATOM 858 CG LEU A 208 10.350 -9.410 7.067 1.00 6.34 C ATOM 859 CD1 LEU A 208 10.989 -8.066 6.756 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.125 -9.630 6.197 1.00 5.96 C ATOM 0 H LEU A 208 13.536 -11.935 6.668 1.00 7.59 H new ATOM 0 HA LEU A 208 12.679 -9.628 8.297 1.00 7.05 H new ATOM 0 HB2 LEU A 208 11.805 -10.435 5.876 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.816 -11.491 6.865 1.00 6.63 H new ATOM 0 HG LEU A 208 10.039 -9.407 8.112 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.258 -7.272 6.907 1.00 6.60 H new ATOM 0 HD12 LEU A 208 11.840 -7.906 7.418 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.328 -8.055 5.720 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.417 -8.816 6.352 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.423 -9.657 5.149 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.654 -10.576 6.464 1.00 5.96 H new ATOM 872 N THR A 209 11.945 -10.943 10.232 1.00 6.97 N ATOM 873 CA THR A 209 11.525 -11.682 11.407 1.00 7.00 C ATOM 874 C THR A 209 10.014 -11.533 11.574 1.00 6.57 C ATOM 875 O THR A 209 9.415 -10.628 10.986 1.00 6.24 O ATOM 876 CB THR A 209 12.245 -11.171 12.683 1.00 7.40 C ATOM 877 OG1 THR A 209 11.831 -9.832 12.989 1.00 7.39 O ATOM 878 CG2 THR A 209 13.760 -11.208 12.511 1.00 7.89 C ATOM 0 H THR A 209 12.142 -9.957 10.402 1.00 6.97 H new ATOM 0 HA THR A 209 11.789 -12.731 11.271 1.00 7.00 H new ATOM 0 HB THR A 209 11.971 -11.832 13.505 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.299 -9.203 12.401 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.238 -10.844 13.420 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.079 -12.232 12.317 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.047 -10.574 11.672 1.00 7.89 H new ATOM 886 N PRO A 210 9.364 -12.423 12.347 1.00 6.66 N ATOM 887 CA PRO A 210 7.917 -12.343 12.588 1.00 6.45 C ATOM 888 C PRO A 210 7.519 -10.999 13.198 1.00 6.38 C ATOM 889 O PRO A 210 6.356 -10.596 13.139 1.00 6.16 O ATOM 890 CB PRO A 210 7.645 -13.489 13.572 1.00 6.85 C ATOM 891 CG PRO A 210 8.978 -13.899 14.093 1.00 7.16 C ATOM 892 CD PRO A 210 9.963 -13.592 13.005 1.00 7.08 C ATOM 0 HA PRO A 210 7.341 -12.425 11.666 1.00 6.45 H new ATOM 0 HB2 PRO A 210 6.992 -13.163 14.381 1.00 6.85 H new ATOM 0 HB3 PRO A 210 7.146 -14.321 13.075 1.00 6.85 H new ATOM 0 HG2 PRO A 210 9.224 -13.356 15.005 1.00 7.16 H new ATOM 0 HG3 PRO A 210 8.990 -14.960 14.341 1.00 7.16 H new ATOM 0 HD2 PRO A 210 10.952 -13.369 13.405 1.00 7.08 H new ATOM 0 HD3 PRO A 210 10.079 -14.429 12.316 1.00 7.08 H new ATOM 900 N GLN A 211 8.503 -10.307 13.768 1.00 6.66 N ATOM 901 CA GLN A 211 8.285 -9.003 14.379 1.00 6.77 C ATOM 902 C GLN A 211 8.173 -7.926 13.306 1.00 6.45 C ATOM 903 O GLN A 211 7.328 -7.038 13.388 1.00 6.38 O ATOM 904 CB GLN A 211 9.438 -8.651 15.317 1.00 7.30 C ATOM 905 CG GLN A 211 9.735 -9.705 16.372 1.00 7.72 C ATOM 906 CD GLN A 211 11.149 -9.594 16.914 1.00 8.30 C ATOM 907 OE1 GLN A 211 12.104 -9.314 16.036 1.00 8.70 O flip ATOM 908 NE2 GLN A 211 11.383 -9.775 18.111 1.00 8.61 N flip ATOM 0 H GLN A 211 9.468 -10.634 13.818 1.00 6.66 H new ATOM 0 HA GLN A 211 7.356 -9.050 14.948 1.00 6.77 H new ATOM 0 HB2 GLN A 211 10.337 -8.487 14.722 1.00 7.30 H new ATOM 0 HB3 GLN A 211 9.209 -7.709 15.816 1.00 7.30 H new ATOM 0 HG2 GLN A 211 9.025 -9.605 17.193 1.00 7.72 H new ATOM 0 HG3 GLN A 211 9.589 -10.696 15.943 1.00 7.72 H new ATOM 0 HE21 GLN A 211 10.620 -9.988 18.753 1.00 8.61 H new ATOM 0 HE22 GLN A 211 12.340 -9.711 18.459 1.00 8.61 H new ATOM 917 N ASP A 212 9.033 -8.022 12.295 1.00 6.37 N ATOM 918 CA ASP A 212 9.054 -7.052 11.204 1.00 6.18 C ATOM 919 C ASP A 212 7.751 -7.091 10.421 1.00 5.63 C ATOM 920 O ASP A 212 7.249 -6.058 9.982 1.00 5.44 O ATOM 921 CB ASP A 212 10.232 -7.318 10.263 1.00 6.44 C ATOM 922 CG ASP A 212 11.562 -7.339 10.984 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.886 -6.350 11.671 1.00 7.34 O1- ATOM 924 OD2 ASP A 212 12.272 -8.364 10.885 1.00 7.38 O ATOM 0 H ASP A 212 9.727 -8.765 12.209 1.00 6.37 H new ATOM 0 HA ASP A 212 9.171 -6.061 11.643 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.081 -8.273 9.760 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.255 -6.550 9.490 1.00 6.44 H new ATOM 929 N MET A 213 7.193 -8.291 10.267 1.00 5.47 N ATOM 930 CA MET A 213 5.934 -8.456 9.546 1.00 5.06 C ATOM 931 C MET A 213 4.815 -7.696 10.252 1.00 4.94 C ATOM 932 O MET A 213 3.939 -7.116 9.612 1.00 4.64 O ATOM 933 CB MET A 213 5.562 -9.939 9.426 1.00 5.15 C ATOM 934 CG MET A 213 6.519 -10.745 8.563 1.00 5.33 C ATOM 935 SD MET A 213 5.678 -11.970 7.539 1.00 5.56 S ATOM 936 CE MET A 213 4.818 -10.906 6.383 1.00 5.57 C ATOM 0 H MET A 213 7.591 -9.157 10.630 1.00 5.47 H new ATOM 0 HA MET A 213 6.064 -8.050 8.543 1.00 5.06 H new ATOM 0 HB2 MET A 213 5.530 -10.378 10.423 1.00 5.15 H new ATOM 0 HB3 MET A 213 4.558 -10.019 9.010 1.00 5.15 H new ATOM 0 HG2 MET A 213 7.081 -10.066 7.921 1.00 5.33 H new ATOM 0 HG3 MET A 213 7.242 -11.249 9.204 1.00 5.33 H new ATOM 0 HE1 MET A 213 4.982 -11.265 5.367 1.00 5.57 H new ATOM 0 HE2 MET A 213 3.751 -10.917 6.603 1.00 5.57 H new ATOM 0 HE3 MET A 213 5.197 -9.888 6.474 1.00 5.57 H new ATOM 946 N GLU A 214 4.875 -7.683 11.577 1.00 5.29 N ATOM 947 CA GLU A 214 3.881 -6.996 12.393 1.00 5.44 C ATOM 948 C GLU A 214 3.970 -5.482 12.220 1.00 5.41 C ATOM 949 O GLU A 214 2.963 -4.776 12.277 1.00 5.42 O ATOM 950 CB GLU A 214 4.080 -7.358 13.861 1.00 6.00 C ATOM 951 CG GLU A 214 3.432 -8.667 14.263 1.00 6.18 C ATOM 952 CD GLU A 214 1.925 -8.568 14.322 1.00 6.23 C ATOM 953 OE1 GLU A 214 1.411 -7.718 15.081 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 1.243 -9.335 13.610 1.00 6.43 O ATOM 0 H GLU A 214 5.609 -8.145 12.114 1.00 5.29 H new ATOM 0 HA GLU A 214 2.893 -7.318 12.064 1.00 5.44 H new ATOM 0 HB2 GLU A 214 5.148 -7.413 14.070 1.00 6.00 H new ATOM 0 HB3 GLU A 214 3.675 -6.558 14.481 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.715 -9.443 13.552 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.812 -8.973 15.238 1.00 6.18 H new ATOM 961 N ALA A 215 5.178 -4.992 12.000 1.00 5.51 N ATOM 962 CA ALA A 215 5.402 -3.563 11.835 1.00 5.66 C ATOM 963 C ALA A 215 5.131 -3.117 10.402 1.00 5.27 C ATOM 964 O ALA A 215 4.667 -2.002 10.166 1.00 5.33 O ATOM 965 CB ALA A 215 6.826 -3.207 12.235 1.00 6.08 C ATOM 0 H ALA A 215 6.021 -5.562 11.931 1.00 5.51 H new ATOM 0 HA ALA A 215 4.704 -3.037 12.486 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.983 -2.136 12.108 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.989 -3.476 13.279 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.528 -3.754 11.606 1.00 6.08 H new ATOM 971 N ALA A 216 5.392 -4.004 9.449 1.00 4.95 N ATOM 972 CA ALA A 216 5.200 -3.694 8.041 1.00 4.66 C ATOM 973 C ALA A 216 3.724 -3.593 7.696 1.00 4.31 C ATOM 974 O ALA A 216 3.319 -2.724 6.924 1.00 4.17 O ATOM 975 CB ALA A 216 5.874 -4.741 7.169 1.00 4.61 C ATOM 0 H ALA A 216 5.738 -4.946 9.629 1.00 4.95 H new ATOM 0 HA ALA A 216 5.660 -2.725 7.847 1.00 4.66 H new ATOM 0 HB1 ALA A 216 5.720 -4.493 6.119 1.00 4.61 H new ATOM 0 HB2 ALA A 216 6.942 -4.761 7.385 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.443 -5.720 7.378 1.00 4.61 H new ATOM 981 N LYS A 217 2.921 -4.474 8.284 1.00 4.31 N ATOM 982 CA LYS A 217 1.490 -4.473 8.021 1.00 4.20 C ATOM 983 C LYS A 217 0.846 -3.188 8.541 1.00 4.42 C ATOM 984 O LYS A 217 -0.160 -2.721 8.009 1.00 4.34 O ATOM 985 CB LYS A 217 0.815 -5.709 8.634 1.00 4.47 C ATOM 986 CG LYS A 217 0.668 -5.664 10.148 1.00 4.63 C ATOM 987 CD LYS A 217 0.047 -6.948 10.683 1.00 5.07 C ATOM 988 CE LYS A 217 -0.441 -6.776 12.112 1.00 5.46 C ATOM 989 NZ LYS A 217 -0.914 -8.057 12.702 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.234 -5.190 8.939 1.00 4.31 H new ATOM 0 HA LYS A 217 1.346 -4.514 6.941 1.00 4.20 H new ATOM 0 HB2 LYS A 217 -0.173 -5.825 8.189 1.00 4.47 H new ATOM 0 HB3 LYS A 217 1.392 -6.593 8.364 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.645 -5.512 10.606 1.00 4.63 H new ATOM 0 HG3 LYS A 217 0.048 -4.813 10.430 1.00 4.63 H new ATOM 0 HD2 LYS A 217 -0.786 -7.244 10.046 1.00 5.07 H new ATOM 0 HD3 LYS A 217 0.781 -7.753 10.642 1.00 5.07 H new ATOM 0 HE2 LYS A 217 0.366 -6.372 12.724 1.00 5.46 H new ATOM 0 HE3 LYS A 217 -1.251 -6.047 12.132 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -1.300 -7.880 13.651 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 -1.655 -8.465 12.097 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.118 -8.723 12.770 1.00 5.88 H new ATOM 1003 N GLU A 218 1.452 -2.615 9.571 1.00 0.00 N ATOM 1004 CA GLU A 218 0.955 -1.369 10.148 1.00 0.00 C ATOM 1005 C GLU A 218 1.257 -0.197 9.247 1.00 0.00 C ATOM 1006 O GLU A 218 0.383 0.612 8.944 1.00 0.00 O ATOM 1007 CB GLU A 218 1.587 -1.153 11.553 1.00 0.00 C ATOM 1008 CG GLU A 218 1.133 -2.155 12.663 1.00 0.00 C ATOM 1009 CD GLU A 218 1.724 -2.009 14.053 1.00 0.00 C ATOM 1010 OE1 GLU A 218 1.637 -0.933 14.676 1.00 0.00 O ATOM 1011 OE2 GLU A 218 2.281 -3.019 14.531 1.00 0.00 O1- ATOM 0 H GLU A 218 2.285 -2.989 10.025 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.128 -1.440 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.671 -1.213 11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.352 -0.142 11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.049 -2.081 12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.356 -3.163 12.312 1.00 0.00 H new ATOM 1018 N VAL A 219 2.511 -0.120 8.811 1.00 4.99 N ATOM 1019 CA VAL A 219 2.959 0.960 7.943 1.00 5.07 C ATOM 1020 C VAL A 219 2.187 0.970 6.625 1.00 4.71 C ATOM 1021 O VAL A 219 1.776 2.030 6.150 1.00 4.89 O ATOM 1022 CB VAL A 219 4.473 0.848 7.661 1.00 5.20 C ATOM 1023 CG1 VAL A 219 4.908 1.836 6.588 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.262 1.069 8.942 1.00 5.63 C ATOM 0 H VAL A 219 3.237 -0.797 9.047 1.00 4.99 H new ATOM 0 HA VAL A 219 2.765 1.897 8.465 1.00 5.07 H new ATOM 0 HB VAL A 219 4.677 -0.157 7.290 1.00 5.20 H new ATOM 0 HG11 VAL A 219 5.979 1.733 6.411 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.367 1.632 5.664 1.00 5.47 H new ATOM 0 HG13 VAL A 219 4.691 2.852 6.919 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.328 0.988 8.731 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.045 2.062 9.336 1.00 5.63 H new ATOM 0 HG23 VAL A 219 4.979 0.316 9.678 1.00 5.63 H new ATOM 1034 N TYR A 220 1.972 -0.211 6.056 1.00 4.28 N ATOM 1035 CA TYR A 220 1.249 -0.337 4.796 1.00 4.00 C ATOM 1036 C TYR A 220 -0.169 0.224 4.916 1.00 4.14 C ATOM 1037 O TYR A 220 -0.698 0.811 3.969 1.00 4.18 O ATOM 1038 CB TYR A 220 1.196 -1.805 4.363 1.00 3.69 C ATOM 1039 CG TYR A 220 0.792 -2.005 2.920 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.694 -1.777 1.889 1.00 3.97 C ATOM 1041 CD2 TYR A 220 -0.492 -2.420 2.591 1.00 3.52 C ATOM 1042 CE1 TYR A 220 1.327 -1.961 0.569 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -0.865 -2.606 1.274 1.00 3.66 C ATOM 1044 CZ TYR A 220 0.048 -2.374 0.268 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.319 -2.558 -1.043 1.00 4.23 O ATOM 0 H TYR A 220 2.289 -1.097 6.449 1.00 4.28 H new ATOM 0 HA TYR A 220 1.782 0.241 4.041 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.176 -2.256 4.521 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.493 -2.337 5.004 1.00 3.69 H new ATOM 0 HD1 TYR A 220 2.697 -1.451 2.122 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -1.210 -2.600 3.377 1.00 3.52 H new ATOM 0 HE1 TYR A 220 2.040 -1.782 -0.222 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -1.866 -2.931 1.034 1.00 3.66 H new ATOM 0 HH TYR A 220 0.348 -3.116 -1.494 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.783 0.048 6.083 1.00 4.37 N ATOM 1056 CA LYS A 221 -2.135 0.544 6.320 1.00 4.73 C ATOM 1057 C LYS A 221 -2.142 2.066 6.400 1.00 5.09 C ATOM 1058 O LYS A 221 -3.007 2.725 5.821 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.707 -0.056 7.605 1.00 5.11 C ATOM 1060 CG LYS A 221 -3.370 -1.407 7.398 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.749 -2.049 8.722 1.00 5.57 C ATOM 1062 CE LYS A 221 -4.763 -3.166 8.535 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.230 -4.282 7.710 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.366 -0.434 6.879 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.763 0.239 5.483 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.905 -0.161 8.336 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.435 0.637 8.028 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -4.262 -1.286 6.783 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -2.694 -2.066 6.853 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -2.855 -2.446 9.203 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.161 -1.292 9.389 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -5.062 -3.549 9.511 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -5.659 -2.764 8.063 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -4.951 -5.026 7.625 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -3.985 -3.928 6.763 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -3.380 -4.674 8.164 1.00 6.17 H new ATOM 1077 N ILE A 222 -1.162 2.618 7.105 1.00 5.30 N ATOM 1078 CA ILE A 222 -1.047 4.065 7.256 1.00 5.78 C ATOM 1079 C ILE A 222 -0.707 4.713 5.915 1.00 5.68 C ATOM 1080 O ILE A 222 -1.180 5.805 5.598 1.00 6.01 O ATOM 1081 CB ILE A 222 0.021 4.438 8.306 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.198 3.635 9.593 1.00 6.30 C ATOM 1083 CG2 ILE A 222 -0.028 5.930 8.605 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.980 3.658 10.541 1.00 6.53 C ATOM 0 H ILE A 222 -0.434 2.086 7.582 1.00 5.30 H new ATOM 0 HA ILE A 222 -2.010 4.440 7.603 1.00 5.78 H new ATOM 0 HB ILE A 222 1.004 4.195 7.903 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.074 4.027 10.109 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.420 2.601 9.330 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.731 6.177 9.347 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.163 6.491 7.690 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -1.013 6.191 8.992 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.746 3.067 11.427 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.855 3.237 10.045 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.190 4.686 10.836 1.00 6.53 H new ATOM 1096 N HIS A 223 0.105 4.021 5.124 1.00 5.31 N ATOM 1097 CA HIS A 223 0.505 4.511 3.810 1.00 5.36 C ATOM 1098 C HIS A 223 -0.710 4.642 2.896 1.00 5.26 C ATOM 1099 O HIS A 223 -0.832 5.601 2.130 1.00 5.59 O ATOM 1100 CB HIS A 223 1.532 3.557 3.189 1.00 5.11 C ATOM 1101 CG HIS A 223 2.381 4.179 2.123 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.206 3.416 1.330 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.508 5.481 1.764 1.00 5.95 C ATOM 1104 CE1 HIS A 223 3.811 4.262 0.517 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.422 5.521 0.744 1.00 6.23 N ATOM 0 H HIS A 223 0.501 3.114 5.372 1.00 5.31 H new ATOM 0 HA HIS A 223 0.957 5.496 3.926 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.180 3.175 3.978 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.007 2.701 2.766 1.00 5.11 H new ATOM 0 HD2 HIS A 223 1.989 6.323 2.198 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.529 3.974 -0.236 1.00 5.92 H new ATOM 0 HE2 HIS A 223 3.745 6.354 0.251 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.621 3.685 3.007 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.831 3.679 2.198 1.00 4.90 C ATOM 1115 C GLN A 224 -3.754 4.829 2.597 1.00 5.38 C ATOM 1116 O GLN A 224 -4.550 5.311 1.787 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.560 2.343 2.344 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.411 1.979 1.137 1.00 4.79 C ATOM 1119 CD GLN A 224 -5.283 0.766 1.381 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -4.876 -0.370 1.134 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -6.490 0.992 1.873 1.00 5.38 N ATOM 0 H GLN A 224 -1.544 2.899 3.653 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.545 3.813 1.155 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.826 1.555 2.512 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -4.196 2.380 3.229 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -5.042 2.828 0.873 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -3.761 1.788 0.283 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -6.792 1.947 2.065 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -7.119 0.211 2.061 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.641 5.269 3.845 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.461 6.367 4.343 1.00 6.22 C ATOM 1132 C GLN A 225 -4.079 7.667 3.647 1.00 6.53 C ATOM 1133 O GLN A 225 -4.927 8.519 3.375 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.304 6.509 5.859 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.988 5.401 6.643 1.00 6.94 C ATOM 1136 CD GLN A 225 -4.734 5.482 8.137 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -3.658 5.888 8.583 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -5.727 5.099 8.923 1.00 7.56 N ATOM 0 H GLN A 225 -2.991 4.883 4.529 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.506 6.147 4.124 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -3.243 6.518 6.108 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -4.713 7.470 6.171 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -6.062 5.445 6.461 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.641 4.436 6.274 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -6.602 4.769 8.515 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -5.618 5.134 9.937 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.796 7.801 3.335 1.00 6.49 N ATOM 1148 CA LEU A 226 -2.286 8.989 2.665 1.00 6.92 C ATOM 1149 C LEU A 226 -2.790 9.063 1.230 1.00 6.85 C ATOM 1150 O LEU A 226 -3.115 10.144 0.730 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.757 8.994 2.680 1.00 7.02 C ATOM 1152 CG LEU A 226 -0.127 9.275 4.042 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.358 8.965 4.013 1.00 7.93 C ATOM 1154 CD2 LEU A 226 -0.367 10.723 4.445 1.00 8.09 C ATOM 0 H LEU A 226 -2.086 7.097 3.537 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.650 9.863 3.205 1.00 6.92 H new ATOM 0 HB2 LEU A 226 -0.402 8.027 2.325 1.00 7.02 H new ATOM 0 HB3 LEU A 226 -0.404 9.743 1.971 1.00 7.02 H new ATOM 0 HG LEU A 226 -0.596 8.629 4.784 1.00 7.62 H new ATOM 0 HD11 LEU A 226 1.792 9.171 4.992 1.00 7.93 H new ATOM 0 HD12 LEU A 226 1.506 7.914 3.764 1.00 7.93 H new ATOM 0 HD13 LEU A 226 1.845 9.587 3.262 1.00 7.93 H new ATOM 0 HD21 LEU A 226 0.087 10.910 5.418 1.00 8.09 H new ATOM 0 HD22 LEU A 226 0.078 11.386 3.703 1.00 8.09 H new ATOM 0 HD23 LEU A 226 -1.439 10.912 4.503 1.00 8.09 H new ATOM 1166 N LEU A 227 -2.862 7.909 0.577 1.00 6.38 N ATOM 1167 CA LEU A 227 -3.326 7.832 -0.803 1.00 6.38 C ATOM 1168 C LEU A 227 -4.783 8.266 -0.904 1.00 6.51 C ATOM 1169 O LEU A 227 -5.175 8.959 -1.845 1.00 6.81 O ATOM 1170 CB LEU A 227 -3.165 6.409 -1.347 1.00 5.94 C ATOM 1171 CG LEU A 227 -1.752 5.826 -1.245 1.00 5.92 C ATOM 1172 CD1 LEU A 227 -1.731 4.398 -1.765 1.00 5.56 C ATOM 1173 CD2 LEU A 227 -0.755 6.688 -2.007 1.00 6.51 C ATOM 0 H LEU A 227 -2.604 7.010 0.983 1.00 6.38 H new ATOM 0 HA LEU A 227 -2.717 8.508 -1.403 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -3.851 5.753 -0.811 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -3.469 6.401 -2.394 1.00 5.94 H new ATOM 0 HG LEU A 227 -1.459 5.818 -0.195 1.00 5.92 H new ATOM 0 HD11 LEU A 227 -0.721 3.997 -1.686 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -2.412 3.785 -1.174 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -2.046 4.386 -2.808 1.00 5.56 H new ATOM 0 HD21 LEU A 227 0.241 6.255 -1.920 1.00 6.51 H new ATOM 0 HD22 LEU A 227 -1.041 6.733 -3.058 1.00 6.51 H new ATOM 0 HD23 LEU A 227 -0.750 7.695 -1.589 1.00 6.51 H new ATOM 1185 N PHE A 228 -5.576 7.864 0.081 1.00 6.38 N ATOM 1186 CA PHE A 228 -6.989 8.212 0.114 1.00 6.62 C ATOM 1187 C PHE A 228 -7.168 9.721 0.264 1.00 7.17 C ATOM 1188 O PHE A 228 -7.972 10.331 -0.441 1.00 7.44 O ATOM 1189 CB PHE A 228 -7.693 7.476 1.258 1.00 6.57 C ATOM 1190 CG PHE A 228 -9.140 7.831 1.407 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -10.077 7.367 0.502 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -9.560 8.624 2.459 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -11.411 7.690 0.643 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.890 8.950 2.605 1.00 7.64 C ATOM 1195 CZ PHE A 228 -11.820 8.485 1.697 1.00 7.67 C ATOM 0 H PHE A 228 -5.263 7.296 0.868 1.00 6.38 H new ATOM 0 HA PHE A 228 -7.441 7.904 -0.829 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -7.607 6.402 1.093 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -7.176 7.697 2.192 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -9.762 6.746 -0.323 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -8.838 8.991 3.173 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -12.135 7.322 -0.069 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -11.206 9.570 3.431 1.00 7.64 H new ATOM 0 HZ PHE A 228 -12.863 8.741 1.810 1.00 7.67 H new ATOM 1205 N LYS A 229 -6.395 10.315 1.172 1.00 7.38 N ATOM 1206 CA LYS A 229 -6.464 11.753 1.424 1.00 7.96 C ATOM 1207 C LYS A 229 -6.151 12.551 0.164 1.00 8.17 C ATOM 1208 O LYS A 229 -6.784 13.570 -0.113 1.00 8.60 O ATOM 1209 CB LYS A 229 -5.490 12.148 2.539 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.833 11.548 3.893 1.00 8.20 C ATOM 1211 CD LYS A 229 -4.803 11.933 4.941 1.00 8.62 C ATOM 1212 CE LYS A 229 -5.086 11.270 6.280 1.00 8.81 C ATOM 1213 NZ LYS A 229 -4.188 11.780 7.353 1.00 9.36 N1+ ATOM 0 H LYS A 229 -5.712 9.821 1.746 1.00 7.38 H new ATOM 0 HA LYS A 229 -7.482 11.985 1.735 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -4.484 11.836 2.258 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -5.474 13.234 2.627 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.819 11.890 4.206 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -5.883 10.462 3.810 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -3.809 11.647 4.596 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -4.798 13.016 5.065 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -6.124 11.447 6.561 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -4.961 10.191 6.185 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -4.413 11.303 8.250 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -3.198 11.588 7.098 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -4.325 12.805 7.462 1.00 9.36 H new ATOM 1227 N ALA A 230 -5.185 12.065 -0.603 1.00 7.94 N ATOM 1228 CA ALA A 230 -4.774 12.724 -1.839 1.00 8.24 C ATOM 1229 C ALA A 230 -5.905 12.760 -2.866 1.00 8.26 C ATOM 1230 O ALA A 230 -6.042 13.725 -3.619 1.00 8.69 O ATOM 1231 CB ALA A 230 -3.560 12.019 -2.424 1.00 8.09 C ATOM 0 H ALA A 230 -4.668 11.212 -0.391 1.00 7.94 H new ATOM 0 HA ALA A 230 -4.516 13.755 -1.596 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -3.260 12.517 -3.346 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -2.739 12.054 -1.708 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -3.811 10.980 -2.638 1.00 8.09 H new ATOM 1603 N ASN B 116 -0.074 -15.320 8.382 1.00 11.51 N ATOM 1604 CA ASN B 116 -0.764 -14.218 7.723 1.00 10.99 C ATOM 1605 C ASN B 116 0.175 -13.512 6.750 1.00 10.00 C ATOM 1606 O ASN B 116 -0.089 -12.394 6.304 1.00 9.54 O ATOM 1607 CB ASN B 116 -1.305 -13.217 8.752 1.00 11.43 C ATOM 1608 CG ASN B 116 -2.794 -13.382 8.996 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -3.620 -12.987 8.168 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -3.151 -13.952 10.139 1.00 12.05 N ATOM 0 HA ASN B 116 -1.607 -14.629 7.168 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -0.770 -13.343 9.693 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -1.107 -12.202 8.406 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -4.139 -14.077 10.360 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -2.438 -14.265 10.797 1.00 12.05 H new ATOM 1617 N SER B 117 1.265 -14.187 6.412 1.00 9.85 N ATOM 1618 CA SER B 117 2.259 -13.646 5.499 1.00 9.09 C ATOM 1619 C SER B 117 1.804 -13.767 4.045 1.00 8.48 C ATOM 1620 O SER B 117 2.475 -13.281 3.135 1.00 7.94 O ATOM 1621 CB SER B 117 3.582 -14.381 5.703 1.00 9.58 C ATOM 1622 OG SER B 117 3.817 -14.607 7.084 1.00 10.42 O ATOM 0 H SER B 117 1.483 -15.120 6.761 1.00 9.85 H new ATOM 0 HA SER B 117 2.390 -12.586 5.715 1.00 9.09 H new ATOM 0 HB2 SER B 117 3.562 -15.332 5.171 1.00 9.58 H new ATOM 0 HB3 SER B 117 4.399 -13.796 5.280 1.00 9.58 H new ATOM 0 HG SER B 117 4.374 -13.885 7.444 1.00 10.42 H new ATOM 1628 N LYS B 118 0.656 -14.404 3.836 1.00 8.71 N ATOM 1629 CA LYS B 118 0.105 -14.579 2.493 1.00 8.32 C ATOM 1630 C LYS B 118 -0.147 -13.228 1.825 1.00 7.50 C ATOM 1631 O LYS B 118 0.021 -13.082 0.613 1.00 7.07 O ATOM 1632 CB LYS B 118 -1.204 -15.372 2.548 1.00 9.09 C ATOM 1633 CG LYS B 118 -1.076 -16.727 3.223 1.00 9.49 C ATOM 1634 CD LYS B 118 -2.287 -17.597 2.943 1.00 10.17 C ATOM 1635 CE LYS B 118 -2.292 -18.854 3.797 1.00 10.68 C ATOM 1636 NZ LYS B 118 -2.386 -18.547 5.249 1.00 11.16 N1+ ATOM 0 H LYS B 118 0.087 -14.809 4.580 1.00 8.71 H new ATOM 0 HA LYS B 118 0.837 -15.132 1.904 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -1.952 -14.783 3.078 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -1.573 -15.516 1.532 1.00 9.09 H new ATOM 0 HG2 LYS B 118 -0.175 -17.229 2.869 1.00 9.49 H new ATOM 0 HG3 LYS B 118 -0.964 -16.591 4.299 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -3.196 -17.026 3.133 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -2.299 -17.874 1.889 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -3.131 -19.485 3.506 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -1.383 -19.424 3.606 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -2.689 -19.398 5.765 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 -1.456 -18.242 5.600 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 -3.079 -17.786 5.399 1.00 11.16 H new ATOM 1650 N GLU B 119 -0.529 -12.239 2.625 1.00 7.48 N ATOM 1651 CA GLU B 119 -0.805 -10.901 2.114 1.00 6.99 C ATOM 1652 C GLU B 119 0.463 -10.259 1.561 1.00 6.13 C ATOM 1653 O GLU B 119 0.407 -9.429 0.648 1.00 5.77 O ATOM 1654 CB GLU B 119 -1.397 -10.024 3.214 1.00 7.65 C ATOM 1655 CG GLU B 119 -2.662 -10.601 3.834 1.00 8.43 C ATOM 1656 CD GLU B 119 -3.403 -9.594 4.680 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -4.169 -8.786 4.115 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 -3.217 -9.598 5.916 1.00 9.34 O ATOM 0 H GLU B 119 -0.655 -12.339 3.632 1.00 7.48 H new ATOM 0 HA GLU B 119 -1.529 -10.990 1.304 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -0.651 -9.882 3.996 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -1.620 -9.039 2.803 1.00 7.65 H new ATOM 0 HG2 GLU B 119 -3.320 -10.960 3.042 1.00 8.43 H new ATOM 0 HG3 GLU B 119 -2.401 -11.464 4.447 1.00 8.43 H new ATOM 1665 N TRP B 120 1.605 -10.668 2.102 1.00 6.01 N ATOM 1666 CA TRP B 120 2.893 -10.148 1.672 1.00 5.38 C ATOM 1667 C TRP B 120 3.142 -10.524 0.215 1.00 4.90 C ATOM 1668 O TRP B 120 3.545 -9.698 -0.599 1.00 4.43 O ATOM 1669 CB TRP B 120 4.009 -10.706 2.562 1.00 5.80 C ATOM 1670 CG TRP B 120 5.356 -10.101 2.305 1.00 5.98 C ATOM 1671 CD1 TRP B 120 6.318 -10.571 1.459 1.00 6.39 C ATOM 1672 CD2 TRP B 120 5.900 -8.924 2.915 1.00 6.18 C ATOM 1673 NE1 TRP B 120 7.422 -9.757 1.503 1.00 6.78 N ATOM 1674 CE2 TRP B 120 7.190 -8.739 2.389 1.00 6.64 C ATOM 1675 CE3 TRP B 120 5.418 -8.009 3.855 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 8.005 -7.677 2.767 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 6.228 -6.952 4.234 1.00 6.93 C ATOM 1678 CH2 TRP B 120 7.509 -6.795 3.691 1.00 7.28 C ATOM 0 H TRP B 120 1.662 -11.364 2.845 1.00 6.01 H new ATOM 0 HA TRP B 120 2.887 -9.062 1.760 1.00 5.38 H new ATOM 0 HB2 TRP B 120 3.742 -10.543 3.606 1.00 5.80 H new ATOM 0 HB3 TRP B 120 4.072 -11.784 2.414 1.00 5.80 H new ATOM 0 HD1 TRP B 120 6.224 -11.454 0.845 1.00 6.39 H new ATOM 0 HE1 TRP B 120 8.277 -9.889 0.963 1.00 6.78 H new ATOM 0 HE3 TRP B 120 4.431 -8.124 4.278 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 8.992 -7.552 2.348 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 5.866 -6.238 4.959 1.00 6.93 H new ATOM 0 HH2 TRP B 120 8.119 -5.961 4.007 1.00 7.28 H new ATOM 1689 N THR B 121 2.864 -11.770 -0.115 1.00 5.33 N ATOM 1690 CA THR B 121 3.056 -12.255 -1.469 1.00 5.34 C ATOM 1691 C THR B 121 1.884 -11.878 -2.377 1.00 5.03 C ATOM 1692 O THR B 121 1.938 -12.080 -3.588 1.00 5.08 O ATOM 1693 CB THR B 121 3.238 -13.779 -1.467 1.00 6.28 C ATOM 1694 OG1 THR B 121 3.026 -14.285 -0.139 1.00 6.81 O ATOM 1695 CG2 THR B 121 4.632 -14.155 -1.938 1.00 6.77 C ATOM 0 H THR B 121 2.504 -12.467 0.537 1.00 5.33 H new ATOM 0 HA THR B 121 3.955 -11.780 -1.862 1.00 5.34 H new ATOM 0 HB THR B 121 2.511 -14.218 -2.151 1.00 6.28 H new ATOM 0 HG1 THR B 121 3.140 -15.258 -0.138 1.00 6.81 H new ATOM 0 HG21 THR B 121 4.739 -15.240 -1.929 1.00 6.77 H new ATOM 0 HG22 THR B 121 4.786 -13.784 -2.951 1.00 6.77 H new ATOM 0 HG23 THR B 121 5.373 -13.712 -1.273 1.00 6.77 H new ATOM 1703 N SER B 122 0.831 -11.322 -1.790 1.00 5.01 N ATOM 1704 CA SER B 122 -0.344 -10.933 -2.558 1.00 4.99 C ATOM 1705 C SER B 122 -0.231 -9.495 -3.069 1.00 4.55 C ATOM 1706 O SER B 122 -0.552 -9.212 -4.224 1.00 4.76 O ATOM 1707 CB SER B 122 -1.612 -11.080 -1.707 1.00 5.61 C ATOM 1708 OG SER B 122 -1.778 -12.408 -1.238 1.00 6.23 O ATOM 0 H SER B 122 0.767 -11.131 -0.790 1.00 5.01 H new ATOM 0 HA SER B 122 -0.406 -11.598 -3.420 1.00 4.99 H new ATOM 0 HB2 SER B 122 -1.562 -10.398 -0.858 1.00 5.61 H new ATOM 0 HB3 SER B 122 -2.482 -10.791 -2.297 1.00 5.61 H new ATOM 0 HG SER B 122 -1.203 -12.554 -0.458 1.00 6.23 H new ATOM 1714 N LEU B 123 0.235 -8.582 -2.215 1.00 4.24 N ATOM 1715 CA LEU B 123 0.351 -7.184 -2.614 1.00 4.22 C ATOM 1716 C LEU B 123 1.800 -6.760 -2.840 1.00 4.10 C ATOM 1717 O LEU B 123 2.086 -6.058 -3.807 1.00 4.50 O ATOM 1718 CB LEU B 123 -0.321 -6.271 -1.590 1.00 4.40 C ATOM 1719 CG LEU B 123 -1.801 -5.975 -1.866 1.00 5.14 C ATOM 1720 CD1 LEU B 123 -2.498 -5.517 -0.595 1.00 5.74 C ATOM 1721 CD2 LEU B 123 -1.946 -4.921 -2.960 1.00 5.71 C ATOM 0 H LEU B 123 0.533 -8.783 -1.260 1.00 4.24 H new ATOM 0 HA LEU B 123 -0.165 -7.084 -3.569 1.00 4.22 H new ATOM 0 HB2 LEU B 123 -0.234 -6.728 -0.604 1.00 4.40 H new ATOM 0 HB3 LEU B 123 0.223 -5.327 -1.553 1.00 4.40 H new ATOM 0 HG LEU B 123 -2.274 -6.895 -2.210 1.00 5.14 H new ATOM 0 HD11 LEU B 123 -3.547 -5.311 -0.809 1.00 5.74 H new ATOM 0 HD12 LEU B 123 -2.428 -6.300 0.160 1.00 5.74 H new ATOM 0 HD13 LEU B 123 -2.019 -4.611 -0.224 1.00 5.74 H new ATOM 0 HD21 LEU B 123 -3.003 -4.726 -3.140 1.00 5.71 H new ATOM 0 HD22 LEU B 123 -1.456 -4.000 -2.645 1.00 5.71 H new ATOM 0 HD23 LEU B 123 -1.483 -5.283 -3.878 1.00 5.71 H new