USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 330 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 Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -164:sc= -0.108 (180deg=-0.424) USER MOD Single : A 433 MET CE :methyl -159:sc=-0.00449 (180deg=-0.623) USER MOD Single : A 434 THR OG1 : rot 66:sc= 1.07 USER MOD Single : A 436 GLN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.3) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 477 HIS : no HD1:sc= -0.0515 X(o=-0.051,f=-0.0025) USER MOD Single : A 482 MET CE :methyl 175:sc=-0.00679 (180deg=-0.0501) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -13.059 1.334 -10.450 1.00 25.00 N ATOM 114 CA GLU A 419 -12.194 0.273 -10.953 1.00 25.00 C ATOM 115 C GLU A 419 -13.033 -0.821 -11.604 1.00 25.00 C ATOM 116 O GLU A 419 -12.640 -1.407 -12.584 1.00 25.00 O ATOM 117 CB GLU A 419 -11.416 -0.347 -9.787 1.00 25.00 C ATOM 118 CG GLU A 419 -10.541 0.634 -9.024 1.00 25.00 C ATOM 119 CD GLU A 419 -9.358 1.133 -9.820 1.00 25.00 C ATOM 120 OE1 GLU A 419 -8.602 0.297 -10.353 1.00 25.00 O ATOM 121 OE2 GLU A 419 -9.178 2.359 -9.900 1.00 25.00 O ATOM 0 HA GLU A 419 -11.508 0.699 -11.685 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -12.125 -0.799 -9.093 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -10.789 -1.151 -10.171 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -11.147 1.486 -8.717 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -10.180 0.155 -8.114 1.00 25.00 H new ATOM 128 N VAL A 420 -14.197 -1.094 -11.034 1.00 25.00 N ATOM 129 CA VAL A 420 -15.057 -2.170 -11.524 1.00 25.00 C ATOM 130 C VAL A 420 -15.678 -1.763 -12.861 1.00 25.00 C ATOM 131 O VAL A 420 -15.846 -2.582 -13.757 1.00 25.00 O ATOM 132 CB VAL A 420 -16.182 -2.499 -10.500 1.00 25.00 C ATOM 133 CG1 VAL A 420 -16.934 -3.772 -10.909 1.00 25.00 C ATOM 134 CG2 VAL A 420 -15.582 -2.694 -9.103 1.00 25.00 C ATOM 0 H VAL A 420 -14.571 -0.588 -10.232 1.00 25.00 H new ATOM 0 HA VAL A 420 -14.446 -3.063 -11.658 1.00 25.00 H new ATOM 0 HB VAL A 420 -16.881 -1.663 -10.485 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -17.716 -3.983 -10.179 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -17.384 -3.629 -11.892 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -16.238 -4.610 -10.947 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -16.378 -2.924 -8.394 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -14.867 -3.517 -9.126 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -15.074 -1.780 -8.794 1.00 25.00 H new ATOM 144 N SER A 421 -16.000 -0.486 -12.997 1.00 25.00 N ATOM 145 CA SER A 421 -16.563 0.021 -14.243 1.00 25.00 C ATOM 146 C SER A 421 -15.545 -0.079 -15.364 1.00 25.00 C ATOM 147 O SER A 421 -15.889 -0.399 -16.495 1.00 25.00 O ATOM 148 CB SER A 421 -16.967 1.479 -14.082 1.00 25.00 C ATOM 149 OG SER A 421 -17.950 1.626 -13.069 1.00 25.00 O ATOM 0 H SER A 421 -15.883 0.216 -12.266 1.00 25.00 H new ATOM 0 HA SER A 421 -17.438 -0.581 -14.488 1.00 25.00 H new ATOM 0 HB2 SER A 421 -16.091 2.077 -13.833 1.00 25.00 H new ATOM 0 HB3 SER A 421 -17.354 1.859 -15.027 1.00 25.00 H new ATOM 0 HG SER A 421 -18.192 2.572 -12.983 1.00 25.00 H new ATOM 155 N ASP A 422 -14.290 0.189 -15.038 1.00 25.00 N ATOM 156 CA ASP A 422 -13.212 0.107 -16.016 1.00 25.00 C ATOM 157 C ASP A 422 -12.927 -1.353 -16.335 1.00 25.00 C ATOM 158 O ASP A 422 -12.629 -1.711 -17.466 1.00 25.00 O ATOM 159 CB ASP A 422 -11.951 0.768 -15.463 1.00 25.00 C ATOM 160 CG ASP A 422 -10.862 0.902 -16.508 1.00 25.00 C ATOM 161 OD1 ASP A 422 -9.719 0.479 -16.231 1.00 25.00 O ATOM 162 OD2 ASP A 422 -11.145 1.438 -17.601 1.00 25.00 O ATOM 0 H ASP A 422 -13.991 0.466 -14.103 1.00 25.00 H new ATOM 0 HA ASP A 422 -13.514 0.627 -16.925 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -12.202 1.755 -15.075 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -11.575 0.182 -14.624 1.00 25.00 H new ATOM 167 N MET A 423 -13.036 -2.201 -15.325 1.00 25.00 N ATOM 168 CA MET A 423 -12.781 -3.632 -15.481 1.00 25.00 C ATOM 169 C MET A 423 -13.740 -4.227 -16.503 1.00 25.00 C ATOM 170 O MET A 423 -13.362 -5.073 -17.296 1.00 25.00 O ATOM 171 CB MET A 423 -12.952 -4.331 -14.131 1.00 25.00 C ATOM 172 CG MET A 423 -12.356 -5.722 -14.049 1.00 25.00 C ATOM 173 SD MET A 423 -12.656 -6.475 -12.411 1.00 25.00 S ATOM 174 CE MET A 423 -11.752 -5.361 -11.287 1.00 25.00 C ATOM 0 H MET A 423 -13.301 -1.924 -14.380 1.00 25.00 H new ATOM 0 HA MET A 423 -11.761 -3.778 -15.835 1.00 25.00 H new ATOM 0 HB2 MET A 423 -12.497 -3.711 -13.358 1.00 25.00 H new ATOM 0 HB3 MET A 423 -14.016 -4.394 -13.904 1.00 25.00 H new ATOM 0 HG2 MET A 423 -12.788 -6.352 -14.826 1.00 25.00 H new ATOM 0 HG3 MET A 423 -11.284 -5.673 -14.238 1.00 25.00 H new ATOM 0 HE1 MET A 423 -11.615 -5.850 -10.323 1.00 25.00 H new ATOM 0 HE2 MET A 423 -10.778 -5.124 -11.715 1.00 25.00 H new ATOM 0 HE3 MET A 423 -12.322 -4.442 -11.150 1.00 25.00 H new ATOM 184 N ALA A 424 -14.980 -3.765 -16.487 1.00 25.00 N ATOM 185 CA ALA A 424 -15.989 -4.244 -17.426 1.00 25.00 C ATOM 186 C ALA A 424 -15.616 -3.860 -18.866 1.00 25.00 C ATOM 187 O ALA A 424 -15.915 -4.588 -19.814 1.00 25.00 O ATOM 188 CB ALA A 424 -17.355 -3.661 -17.054 1.00 25.00 C ATOM 0 H ALA A 424 -15.315 -3.057 -15.834 1.00 25.00 H new ATOM 0 HA ALA A 424 -16.037 -5.331 -17.368 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -18.107 -4.020 -17.756 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -17.622 -3.975 -16.045 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -17.310 -2.573 -17.096 1.00 25.00 H new ATOM 194 N ALA A 425 -14.958 -2.718 -19.032 1.00 25.00 N ATOM 195 CA ALA A 425 -14.527 -2.280 -20.357 1.00 25.00 C ATOM 196 C ALA A 425 -13.369 -3.168 -20.827 1.00 25.00 C ATOM 197 O ALA A 425 -13.288 -3.521 -22.000 1.00 25.00 O ATOM 198 CB ALA A 425 -14.102 -0.798 -20.322 1.00 25.00 C ATOM 0 H ALA A 425 -14.712 -2.082 -18.273 1.00 25.00 H new ATOM 0 HA ALA A 425 -15.356 -2.372 -21.059 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -13.784 -0.487 -21.317 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -14.945 -0.185 -20.003 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -13.277 -0.673 -19.621 1.00 25.00 H new ATOM 204 N VAL A 426 -12.488 -3.535 -19.905 1.00 25.00 N ATOM 205 CA VAL A 426 -11.360 -4.416 -20.221 1.00 25.00 C ATOM 206 C VAL A 426 -11.892 -5.795 -20.601 1.00 25.00 C ATOM 207 O VAL A 426 -11.429 -6.398 -21.563 1.00 25.00 O ATOM 208 CB VAL A 426 -10.382 -4.546 -19.010 1.00 25.00 C ATOM 209 CG1 VAL A 426 -9.234 -5.510 -19.334 1.00 25.00 C ATOM 210 CG2 VAL A 426 -9.801 -3.179 -18.644 1.00 25.00 C ATOM 0 H VAL A 426 -12.529 -3.238 -18.930 1.00 25.00 H new ATOM 0 HA VAL A 426 -10.807 -3.983 -21.054 1.00 25.00 H new ATOM 0 HB VAL A 426 -10.949 -4.939 -18.166 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -8.567 -5.583 -18.475 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -9.640 -6.495 -19.563 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -8.678 -5.138 -20.194 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -9.122 -3.287 -17.798 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -9.257 -2.775 -19.497 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -10.610 -2.500 -18.375 1.00 25.00 H new ATOM 220 N GLU A 427 -12.872 -6.285 -19.858 1.00 25.00 N ATOM 221 CA GLU A 427 -13.477 -7.586 -20.153 1.00 25.00 C ATOM 222 C GLU A 427 -14.075 -7.583 -21.557 1.00 25.00 C ATOM 223 O GLU A 427 -13.911 -8.539 -22.314 1.00 25.00 O ATOM 224 CB GLU A 427 -14.574 -7.910 -19.130 1.00 25.00 C ATOM 225 CG GLU A 427 -14.045 -8.368 -17.769 1.00 25.00 C ATOM 226 CD GLU A 427 -15.168 -8.691 -16.783 1.00 25.00 C ATOM 227 OE1 GLU A 427 -16.151 -7.921 -16.715 1.00 25.00 O ATOM 228 OE2 GLU A 427 -15.068 -9.724 -16.077 1.00 25.00 O ATOM 0 H GLU A 427 -13.268 -5.808 -19.048 1.00 25.00 H new ATOM 0 HA GLU A 427 -12.699 -8.347 -20.095 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -15.195 -7.026 -18.987 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -15.218 -8.689 -19.538 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -13.420 -9.250 -17.904 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -13.410 -7.588 -17.349 1.00 25.00 H new ATOM 235 N ALA A 428 -14.754 -6.504 -21.914 1.00 25.00 N ATOM 236 CA ALA A 428 -15.346 -6.390 -23.242 1.00 25.00 C ATOM 237 C ALA A 428 -14.252 -6.381 -24.316 1.00 25.00 C ATOM 238 O ALA A 428 -14.411 -6.996 -25.376 1.00 25.00 O ATOM 239 CB ALA A 428 -16.194 -5.112 -23.327 1.00 25.00 C ATOM 0 H ALA A 428 -14.909 -5.698 -21.308 1.00 25.00 H new ATOM 0 HA ALA A 428 -15.990 -7.252 -23.417 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -16.634 -5.032 -24.321 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -16.988 -5.152 -22.581 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -15.563 -4.243 -23.139 1.00 25.00 H new ATOM 245 N ALA A 429 -13.148 -5.701 -24.036 1.00 25.00 N ATOM 246 CA ALA A 429 -12.030 -5.627 -24.974 1.00 25.00 C ATOM 247 C ALA A 429 -11.416 -7.012 -25.205 1.00 25.00 C ATOM 248 O ALA A 429 -11.117 -7.379 -26.334 1.00 25.00 O ATOM 249 CB ALA A 429 -10.969 -4.650 -24.456 1.00 25.00 C ATOM 0 H ALA A 429 -13.000 -5.191 -23.165 1.00 25.00 H new ATOM 0 HA ALA A 429 -12.408 -5.262 -25.929 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -10.141 -4.603 -25.163 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -11.409 -3.659 -24.347 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -10.601 -4.992 -23.489 1.00 25.00 H new ATOM 255 N GLU A 430 -11.237 -7.786 -24.144 1.00 25.00 N ATOM 256 CA GLU A 430 -10.662 -9.132 -24.266 1.00 25.00 C ATOM 257 C GLU A 430 -11.571 -9.997 -25.128 1.00 25.00 C ATOM 258 O GLU A 430 -11.119 -10.725 -26.024 1.00 25.00 O ATOM 259 CB GLU A 430 -10.525 -9.782 -22.886 1.00 25.00 C ATOM 260 CG GLU A 430 -9.511 -9.116 -21.974 1.00 25.00 C ATOM 261 CD GLU A 430 -8.116 -9.719 -22.112 1.00 25.00 C ATOM 262 OE1 GLU A 430 -7.516 -9.603 -23.208 1.00 25.00 O ATOM 263 OE2 GLU A 430 -7.615 -10.305 -21.123 1.00 25.00 O ATOM 0 H GLU A 430 -11.478 -7.514 -23.191 1.00 25.00 H new ATOM 0 HA GLU A 430 -9.676 -9.048 -24.724 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -11.498 -9.771 -22.395 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -10.245 -10.827 -23.017 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -9.467 -8.051 -22.201 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -9.842 -9.208 -20.940 1.00 25.00 H new ATOM 270 N LEU A 431 -12.864 -9.909 -24.865 1.00 25.00 N ATOM 271 CA LEU A 431 -13.849 -10.692 -25.607 1.00 25.00 C ATOM 272 C LEU A 431 -13.875 -10.338 -27.092 1.00 25.00 C ATOM 273 O LEU A 431 -13.977 -11.235 -27.937 1.00 25.00 O ATOM 274 CB LEU A 431 -15.243 -10.493 -25.004 1.00 25.00 C ATOM 275 CG LEU A 431 -15.471 -11.154 -23.635 1.00 25.00 C ATOM 276 CD1 LEU A 431 -16.772 -10.634 -23.023 1.00 25.00 C ATOM 277 CD2 LEU A 431 -15.533 -12.686 -23.749 1.00 25.00 C ATOM 0 H LEU A 431 -13.260 -9.305 -24.145 1.00 25.00 H new ATOM 0 HA LEU A 431 -13.554 -11.738 -25.524 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -15.429 -9.423 -24.907 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -15.982 -10.883 -25.704 1.00 25.00 H new ATOM 0 HG LEU A 431 -14.628 -10.897 -22.994 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -16.931 -11.104 -22.053 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -16.708 -9.553 -22.896 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -17.606 -10.873 -23.683 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -15.695 -13.118 -22.762 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -16.354 -12.969 -24.408 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -14.594 -13.059 -24.158 1.00 25.00 H new ATOM 289 N GLU A 432 -13.789 -9.062 -27.444 1.00 25.00 N ATOM 290 CA GLU A 432 -13.781 -8.702 -28.861 1.00 25.00 C ATOM 291 C GLU A 432 -12.422 -8.999 -29.513 1.00 25.00 C ATOM 292 O GLU A 432 -12.370 -9.347 -30.697 1.00 25.00 O ATOM 293 CB GLU A 432 -14.233 -7.256 -29.110 1.00 25.00 C ATOM 294 CG GLU A 432 -13.249 -6.166 -28.705 1.00 25.00 C ATOM 295 CD GLU A 432 -13.800 -4.769 -28.984 1.00 25.00 C ATOM 296 OE1 GLU A 432 -14.834 -4.658 -29.686 1.00 25.00 O ATOM 297 OE2 GLU A 432 -13.198 -3.783 -28.513 1.00 25.00 O ATOM 0 H GLU A 432 -13.726 -8.279 -26.794 1.00 25.00 H new ATOM 0 HA GLU A 432 -14.522 -9.338 -29.346 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -14.452 -7.143 -30.172 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -15.167 -7.091 -28.573 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -13.019 -6.260 -27.644 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -12.313 -6.302 -29.247 1.00 25.00 H new ATOM 304 N MET A 433 -11.330 -8.884 -28.761 1.00 25.00 N ATOM 305 CA MET A 433 -9.997 -9.189 -29.297 1.00 25.00 C ATOM 306 C MET A 433 -9.895 -10.661 -29.636 1.00 25.00 C ATOM 307 O MET A 433 -9.227 -11.035 -30.599 1.00 25.00 O ATOM 308 CB MET A 433 -8.886 -8.834 -28.307 1.00 25.00 C ATOM 309 CG MET A 433 -8.489 -7.367 -28.343 1.00 25.00 C ATOM 310 SD MET A 433 -6.998 -7.023 -27.370 1.00 25.00 S ATOM 311 CE MET A 433 -7.588 -7.253 -25.675 1.00 25.00 C ATOM 0 H MET A 433 -11.336 -8.585 -27.786 1.00 25.00 H new ATOM 0 HA MET A 433 -9.867 -8.583 -30.194 1.00 25.00 H new ATOM 0 HB2 MET A 433 -9.213 -9.089 -27.299 1.00 25.00 H new ATOM 0 HB3 MET A 433 -8.009 -9.445 -28.522 1.00 25.00 H new ATOM 0 HG2 MET A 433 -8.321 -7.065 -29.377 1.00 25.00 H new ATOM 0 HG3 MET A 433 -9.313 -6.762 -27.964 1.00 25.00 H new ATOM 0 HE1 MET A 433 -6.925 -6.731 -24.985 1.00 25.00 H new ATOM 0 HE2 MET A 433 -8.597 -6.851 -25.583 1.00 25.00 H new ATOM 0 HE3 MET A 433 -7.598 -8.316 -25.434 1.00 25.00 H new ATOM 321 N THR A 434 -10.575 -11.493 -28.862 1.00 25.00 N ATOM 322 CA THR A 434 -10.611 -12.934 -29.124 1.00 25.00 C ATOM 323 C THR A 434 -11.135 -13.185 -30.540 1.00 25.00 C ATOM 324 O THR A 434 -10.659 -14.060 -31.248 1.00 25.00 O ATOM 325 CB THR A 434 -11.515 -13.670 -28.102 1.00 25.00 C ATOM 326 OG1 THR A 434 -11.039 -13.414 -26.777 1.00 25.00 O ATOM 327 CG2 THR A 434 -11.492 -15.179 -28.317 1.00 25.00 C ATOM 0 H THR A 434 -11.112 -11.200 -28.045 1.00 25.00 H new ATOM 0 HA THR A 434 -9.597 -13.322 -29.026 1.00 25.00 H new ATOM 0 HB THR A 434 -12.532 -13.303 -28.239 1.00 25.00 H new ATOM 0 HG1 THR A 434 -11.156 -12.464 -26.565 1.00 25.00 H new ATOM 0 HG21 THR A 434 -12.137 -15.661 -27.582 1.00 25.00 H new ATOM 0 HG22 THR A 434 -11.850 -15.409 -29.321 1.00 25.00 H new ATOM 0 HG23 THR A 434 -10.473 -15.547 -28.202 1.00 25.00 H new ATOM 335 N ARG A 435 -12.111 -12.403 -30.972 1.00 25.00 N ATOM 336 CA ARG A 435 -12.679 -12.597 -32.305 1.00 25.00 C ATOM 337 C ARG A 435 -11.663 -12.243 -33.374 1.00 25.00 C ATOM 338 O ARG A 435 -11.597 -12.882 -34.414 1.00 25.00 O ATOM 339 CB ARG A 435 -13.937 -11.752 -32.473 1.00 25.00 C ATOM 340 CG ARG A 435 -14.915 -11.965 -31.342 1.00 25.00 C ATOM 341 CD ARG A 435 -16.253 -11.339 -31.627 1.00 25.00 C ATOM 342 NE ARG A 435 -17.117 -11.418 -30.437 1.00 25.00 N ATOM 343 CZ ARG A 435 -18.405 -11.101 -30.401 1.00 25.00 C ATOM 344 NH1 ARG A 435 -19.055 -10.691 -31.465 1.00 25.00 N ATOM 345 NH2 ARG A 435 -19.053 -11.207 -29.274 1.00 25.00 N ATOM 0 H ARG A 435 -12.523 -11.641 -30.434 1.00 25.00 H new ATOM 0 HA ARG A 435 -12.946 -13.648 -32.416 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -13.662 -10.698 -32.522 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -14.417 -12.000 -33.420 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -15.044 -13.034 -31.171 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -14.505 -11.543 -30.424 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -16.120 -10.298 -31.920 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -16.729 -11.848 -32.465 1.00 25.00 H new ATOM 0 HE ARG A 435 -16.690 -11.743 -29.569 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -18.570 -10.607 -32.358 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -20.045 -10.456 -31.399 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -18.569 -11.530 -28.436 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -20.043 -10.967 -29.231 1.00 25.00 H new ATOM 359 N GLN A 436 -10.860 -11.225 -33.110 1.00 25.00 N ATOM 360 CA GLN A 436 -9.853 -10.795 -34.079 1.00 25.00 C ATOM 361 C GLN A 436 -8.784 -11.867 -34.260 1.00 25.00 C ATOM 362 O GLN A 436 -8.374 -12.156 -35.380 1.00 25.00 O ATOM 363 CB GLN A 436 -9.164 -9.491 -33.652 1.00 25.00 C ATOM 364 CG GLN A 436 -10.084 -8.384 -33.140 1.00 25.00 C ATOM 365 CD GLN A 436 -11.262 -8.107 -34.039 1.00 25.00 C ATOM 366 OE1 GLN A 436 -11.129 -7.952 -35.242 1.00 25.00 O ATOM 367 NE2 GLN A 436 -12.427 -8.039 -33.453 1.00 25.00 N ATOM 0 H GLN A 436 -10.881 -10.684 -32.246 1.00 25.00 H new ATOM 0 HA GLN A 436 -10.380 -10.626 -35.018 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -8.440 -9.725 -32.871 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -8.602 -9.105 -34.502 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -10.450 -8.658 -32.151 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -9.505 -7.468 -33.023 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -12.499 -8.174 -32.445 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -13.265 -7.851 -34.004 1.00 25.00 H new ATOM 376 N VAL A 437 -8.319 -12.448 -33.160 1.00 25.00 N ATOM 377 CA VAL A 437 -7.236 -13.432 -33.234 1.00 25.00 C ATOM 378 C VAL A 437 -7.667 -14.732 -33.889 1.00 25.00 C ATOM 379 O VAL A 437 -6.865 -15.385 -34.557 1.00 25.00 O ATOM 380 CB VAL A 437 -6.599 -13.733 -31.845 1.00 25.00 C ATOM 381 CG1 VAL A 437 -5.855 -12.490 -31.329 1.00 25.00 C ATOM 382 CG2 VAL A 437 -7.610 -14.175 -30.820 1.00 25.00 C ATOM 0 H VAL A 437 -8.665 -12.262 -32.219 1.00 25.00 H new ATOM 0 HA VAL A 437 -6.479 -12.966 -33.864 1.00 25.00 H new ATOM 0 HB VAL A 437 -5.903 -14.559 -31.990 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -5.412 -12.708 -30.357 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -5.069 -12.218 -32.033 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -6.556 -11.661 -31.230 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -7.107 -14.370 -29.873 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -8.354 -13.391 -30.681 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -8.102 -15.085 -31.163 1.00 25.00 H new ATOM 392 N LEU A 438 -8.927 -15.100 -33.724 1.00 25.00 N ATOM 393 CA LEU A 438 -9.456 -16.300 -34.367 1.00 25.00 C ATOM 394 C LEU A 438 -9.323 -16.158 -35.876 1.00 25.00 C ATOM 395 O LEU A 438 -8.713 -17.004 -36.529 1.00 25.00 O ATOM 396 CB LEU A 438 -10.922 -16.543 -33.975 1.00 25.00 C ATOM 397 CG LEU A 438 -11.172 -17.058 -32.545 1.00 25.00 C ATOM 398 CD1 LEU A 438 -12.670 -17.112 -32.280 1.00 25.00 C ATOM 399 CD2 LEU A 438 -10.550 -18.430 -32.303 1.00 25.00 C ATOM 0 H LEU A 438 -9.602 -14.591 -33.154 1.00 25.00 H new ATOM 0 HA LEU A 438 -8.881 -17.162 -34.029 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -11.469 -15.609 -34.102 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -11.349 -17.260 -34.676 1.00 25.00 H new ATOM 0 HG LEU A 438 -10.693 -16.363 -31.856 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -12.848 -17.476 -31.268 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -13.094 -16.114 -32.386 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -13.142 -17.785 -32.996 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -10.755 -18.747 -31.281 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -10.978 -19.151 -32.999 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -9.472 -18.373 -32.456 1.00 25.00 H new ATOM 720 N ALA A 462 -18.544 -33.887 -45.958 1.00 25.00 N ATOM 721 CA ALA A 462 -17.562 -33.768 -44.889 1.00 25.00 C ATOM 722 C ALA A 462 -18.186 -34.239 -43.571 1.00 25.00 C ATOM 723 O ALA A 462 -17.567 -34.998 -42.830 1.00 25.00 O ATOM 724 CB ALA A 462 -17.078 -32.327 -44.768 1.00 25.00 C ATOM 0 HA ALA A 462 -16.701 -34.395 -45.121 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.345 -32.256 -43.965 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.619 -32.017 -45.707 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.924 -31.676 -44.546 1.00 25.00 H new ATOM 730 N LEU A 463 -19.407 -33.806 -43.282 1.00 25.00 N ATOM 731 CA LEU A 463 -20.066 -34.208 -42.045 1.00 25.00 C ATOM 732 C LEU A 463 -20.330 -35.711 -42.049 1.00 25.00 C ATOM 733 O LEU A 463 -20.141 -36.358 -41.035 1.00 25.00 O ATOM 734 CB LEU A 463 -21.338 -33.370 -41.792 1.00 25.00 C ATOM 735 CG LEU A 463 -22.750 -33.880 -42.149 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.323 -34.824 -41.088 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.674 -32.686 -42.293 1.00 25.00 C ATOM 0 H LEU A 463 -19.955 -33.185 -43.878 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.401 -34.005 -41.206 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.351 -33.136 -40.728 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.202 -32.428 -42.324 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.673 -34.443 -43.079 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.317 -35.151 -41.391 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.672 -35.692 -40.983 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.388 -34.302 -40.133 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.677 -33.030 -42.546 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.706 -32.135 -41.353 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.305 -32.033 -43.084 1.00 25.00 H new ATOM 749 N GLN A 464 -20.735 -36.286 -43.177 1.00 25.00 N ATOM 750 CA GLN A 464 -20.945 -37.734 -43.234 1.00 25.00 C ATOM 751 C GLN A 464 -19.645 -38.487 -42.981 1.00 25.00 C ATOM 752 O GLN A 464 -19.644 -39.554 -42.368 1.00 25.00 O ATOM 753 CB GLN A 464 -21.536 -38.157 -44.576 1.00 25.00 C ATOM 754 CG GLN A 464 -22.966 -37.698 -44.760 1.00 25.00 C ATOM 755 CD GLN A 464 -23.647 -38.410 -45.895 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.199 -38.386 -47.040 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.729 -39.061 -45.586 1.00 25.00 N ATOM 0 H GLN A 464 -20.922 -35.788 -44.047 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.656 -37.988 -42.448 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.923 -37.752 -45.381 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.495 -39.243 -44.660 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.523 -37.870 -43.839 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.980 -36.624 -44.946 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.069 -39.057 -44.624 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.237 -39.576 -46.305 1.00 25.00 H new ATOM 766 N GLY A 465 -18.539 -37.921 -43.437 1.00 25.00 N ATOM 767 CA GLY A 465 -17.246 -38.524 -43.202 1.00 25.00 C ATOM 768 C GLY A 465 -16.961 -38.471 -41.722 1.00 25.00 C ATOM 769 O GLY A 465 -16.590 -39.470 -41.128 1.00 25.00 O ATOM 0 H GLY A 465 -18.515 -37.051 -43.968 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.239 -39.556 -43.553 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.473 -37.993 -43.757 1.00 25.00 H new ATOM 773 N ALA A 466 -17.163 -37.307 -41.121 1.00 25.00 N ATOM 774 CA ALA A 466 -16.935 -37.116 -39.690 1.00 25.00 C ATOM 775 C ALA A 466 -17.735 -38.130 -38.857 1.00 25.00 C ATOM 776 O ALA A 466 -17.239 -38.654 -37.865 1.00 25.00 O ATOM 777 CB ALA A 466 -17.305 -35.680 -39.291 1.00 25.00 C ATOM 0 H ALA A 466 -17.488 -36.470 -41.606 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.877 -37.283 -39.486 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.133 -35.543 -38.223 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.689 -34.977 -39.851 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.356 -35.499 -39.515 1.00 25.00 H new ATOM 783 N GLN A 467 -18.961 -38.410 -39.265 1.00 25.00 N ATOM 784 CA GLN A 467 -19.803 -39.366 -38.543 1.00 25.00 C ATOM 785 C GLN A 467 -19.215 -40.773 -38.618 1.00 25.00 C ATOM 786 O GLN A 467 -19.166 -41.493 -37.622 1.00 25.00 O ATOM 787 CB GLN A 467 -21.197 -39.404 -39.162 1.00 25.00 C ATOM 788 CG GLN A 467 -21.916 -38.052 -39.205 1.00 25.00 C ATOM 789 CD GLN A 467 -23.146 -37.967 -38.337 1.00 25.00 C ATOM 790 OE1 GLN A 467 -23.948 -38.882 -38.265 1.00 25.00 O ATOM 791 NE2 GLN A 467 -23.306 -36.845 -37.683 1.00 25.00 N ATOM 0 H GLN A 467 -19.399 -37.995 -40.087 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.854 -39.044 -37.503 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.118 -39.790 -40.178 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.810 -40.108 -38.600 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.217 -37.274 -38.899 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.199 -37.839 -40.236 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.613 -36.102 -37.768 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -24.124 -36.714 -37.088 1.00 25.00 H new ATOM 800 N ALA A 468 -18.782 -41.161 -39.808 1.00 25.00 N ATOM 801 CA ALA A 468 -18.240 -42.498 -40.022 1.00 25.00 C ATOM 802 C ALA A 468 -16.908 -42.675 -39.290 1.00 25.00 C ATOM 803 O ALA A 468 -16.674 -43.699 -38.650 1.00 25.00 O ATOM 804 CB ALA A 468 -18.060 -42.747 -41.525 1.00 25.00 C ATOM 0 H ALA A 468 -18.794 -40.571 -40.640 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.943 -43.226 -39.618 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.655 -43.747 -41.682 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.025 -42.663 -42.026 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.372 -42.008 -41.936 1.00 25.00 H new ATOM 810 N VAL A 469 -16.038 -41.681 -39.373 1.00 25.00 N ATOM 811 CA VAL A 469 -14.734 -41.783 -38.724 1.00 25.00 C ATOM 812 C VAL A 469 -14.879 -41.716 -37.218 1.00 25.00 C ATOM 813 O VAL A 469 -14.060 -42.266 -36.515 1.00 25.00 O ATOM 814 CB VAL A 469 -13.707 -40.709 -39.213 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.542 -40.789 -40.728 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.116 -39.311 -38.804 1.00 25.00 C ATOM 0 H VAL A 469 -16.203 -40.808 -39.873 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.331 -42.754 -39.012 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.752 -40.925 -38.735 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.825 -40.037 -41.056 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.180 -41.780 -41.003 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.503 -40.608 -41.209 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.376 -38.596 -39.163 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.088 -39.075 -39.236 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.179 -39.253 -37.717 1.00 25.00 H new ATOM 826 N ALA A 470 -15.917 -41.063 -36.710 1.00 25.00 N ATOM 827 CA ALA A 470 -16.123 -40.980 -35.263 1.00 25.00 C ATOM 828 C ALA A 470 -16.234 -42.386 -34.658 1.00 25.00 C ATOM 829 O ALA A 470 -15.772 -42.629 -33.537 1.00 25.00 O ATOM 830 CB ALA A 470 -17.373 -40.157 -34.942 1.00 25.00 C ATOM 0 H ALA A 470 -16.625 -40.586 -37.269 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.262 -40.479 -34.821 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.508 -40.107 -33.862 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.257 -39.149 -35.340 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.245 -40.628 -35.396 1.00 25.00 H new ATOM 836 N ALA A 471 -16.826 -43.312 -35.402 1.00 25.00 N ATOM 837 CA ALA A 471 -16.943 -44.694 -34.945 1.00 25.00 C ATOM 838 C ALA A 471 -15.548 -45.331 -34.842 1.00 25.00 C ATOM 839 O ALA A 471 -15.282 -46.110 -33.936 1.00 25.00 O ATOM 840 CB ALA A 471 -17.833 -45.493 -35.902 1.00 25.00 C ATOM 0 H ALA A 471 -17.231 -43.134 -36.321 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.404 -44.706 -33.957 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.913 -46.522 -35.551 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.825 -45.043 -35.937 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.395 -45.483 -36.900 1.00 25.00 H new ATOM 846 N ALA A 472 -14.664 -44.981 -35.764 1.00 25.00 N ATOM 847 CA ALA A 472 -13.292 -45.475 -35.745 1.00 25.00 C ATOM 848 C ALA A 472 -12.482 -44.807 -34.627 1.00 25.00 C ATOM 849 O ALA A 472 -11.635 -45.435 -34.015 1.00 25.00 O ATOM 850 CB ALA A 472 -12.621 -45.231 -37.106 1.00 25.00 C ATOM 0 H ALA A 472 -14.872 -44.353 -36.540 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.319 -46.547 -35.550 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.597 -45.604 -37.079 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.177 -45.753 -37.885 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.612 -44.162 -37.321 1.00 25.00 H new ATOM 856 N GLN A 473 -12.735 -43.533 -34.364 1.00 25.00 N ATOM 857 CA GLN A 473 -11.993 -42.819 -33.328 1.00 25.00 C ATOM 858 C GLN A 473 -12.338 -43.328 -31.936 1.00 25.00 C ATOM 859 O GLN A 473 -11.451 -43.563 -31.118 1.00 25.00 O ATOM 860 CB GLN A 473 -12.277 -41.311 -33.372 1.00 25.00 C ATOM 861 CG GLN A 473 -11.940 -40.608 -34.691 1.00 25.00 C ATOM 862 CD GLN A 473 -10.466 -40.380 -34.924 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.619 -40.793 -34.151 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.161 -39.720 -36.008 1.00 25.00 N ATOM 0 H GLN A 473 -13.440 -42.975 -34.846 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.938 -43.001 -33.531 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.334 -41.153 -33.157 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.714 -40.831 -32.572 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.337 -41.201 -35.515 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.451 -39.646 -34.715 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.900 -39.391 -36.630 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.184 -39.533 -36.233 1.00 25.00 H new ATOM 873 N ARG A 474 -13.621 -43.517 -31.653 1.00 25.00 N ATOM 874 CA ARG A 474 -14.020 -44.036 -30.336 1.00 25.00 C ATOM 875 C ARG A 474 -13.475 -45.449 -30.163 1.00 25.00 C ATOM 876 O ARG A 474 -13.228 -45.901 -29.052 1.00 25.00 O ATOM 877 CB ARG A 474 -15.544 -43.995 -30.150 1.00 25.00 C ATOM 878 CG ARG A 474 -16.339 -44.910 -31.071 1.00 25.00 C ATOM 879 CD ARG A 474 -17.838 -44.639 -30.987 1.00 25.00 C ATOM 880 NE ARG A 474 -18.384 -44.933 -29.649 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.652 -44.769 -29.287 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.563 -44.311 -30.111 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.008 -45.064 -28.066 1.00 25.00 N ATOM 0 H ARG A 474 -14.391 -43.327 -32.294 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.595 -43.396 -29.563 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.774 -44.258 -29.118 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.884 -42.971 -30.302 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.002 -44.772 -32.098 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.143 -45.949 -30.808 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.031 -43.595 -31.235 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.357 -45.244 -31.730 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.737 -45.290 -28.946 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.308 -44.066 -31.068 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.526 -44.199 -29.795 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.316 -45.415 -27.404 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.978 -44.943 -27.774 1.00 25.00 H new ATOM 897 N LEU A 475 -13.279 -46.127 -31.281 1.00 25.00 N ATOM 898 CA LEU A 475 -12.709 -47.463 -31.293 1.00 25.00 C ATOM 899 C LEU A 475 -11.196 -47.429 -31.024 1.00 25.00 C ATOM 900 O LEU A 475 -10.719 -48.158 -30.163 1.00 25.00 O ATOM 901 CB LEU A 475 -13.010 -48.120 -32.650 1.00 25.00 C ATOM 902 CG LEU A 475 -11.982 -49.075 -33.262 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.880 -50.364 -32.445 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.371 -49.416 -34.688 1.00 25.00 C ATOM 0 H LEU A 475 -13.511 -45.766 -32.206 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.161 -48.051 -30.494 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.947 -48.668 -32.549 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.184 -47.321 -33.370 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.013 -48.576 -33.255 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.143 -51.026 -32.900 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.574 -50.126 -31.426 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.850 -50.860 -32.425 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.633 -50.096 -35.114 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.351 -49.894 -34.694 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.409 -48.503 -35.283 1.00 25.00 H new ATOM 916 N VAL A 476 -10.439 -46.611 -31.748 1.00 25.00 N ATOM 917 CA VAL A 476 -8.983 -46.599 -31.573 1.00 25.00 C ATOM 918 C VAL A 476 -8.645 -46.148 -30.159 1.00 25.00 C ATOM 919 O VAL A 476 -7.721 -46.663 -29.529 1.00 25.00 O ATOM 920 CB VAL A 476 -8.250 -45.761 -32.674 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.562 -44.278 -32.580 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.742 -45.990 -32.602 1.00 25.00 C ATOM 0 H VAL A 476 -10.795 -45.960 -32.448 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.610 -47.615 -31.704 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.623 -46.107 -33.638 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.029 -43.743 -33.366 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.634 -44.124 -32.700 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.247 -43.901 -31.607 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.247 -45.400 -33.374 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.374 -45.686 -31.622 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.527 -47.047 -32.759 1.00 25.00 H new ATOM 932 N HIS A 477 -9.422 -45.206 -29.646 1.00 25.00 N ATOM 933 CA HIS A 477 -9.235 -44.730 -28.292 1.00 25.00 C ATOM 934 C HIS A 477 -9.513 -45.840 -27.288 1.00 25.00 C ATOM 935 O HIS A 477 -8.855 -45.922 -26.270 1.00 25.00 O ATOM 936 CB HIS A 477 -10.149 -43.536 -28.026 1.00 25.00 C ATOM 937 CG HIS A 477 -9.771 -42.759 -26.804 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.651 -42.040 -26.032 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.558 -42.590 -26.205 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.968 -41.486 -25.032 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.686 -41.786 -25.092 1.00 25.00 N ATOM 0 H HIS A 477 -10.187 -44.759 -30.151 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.198 -44.415 -28.176 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.128 -42.872 -28.890 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.175 -43.889 -27.920 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.631 -43.023 -26.552 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.410 -40.867 -24.266 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.948 -41.488 -24.454 1.00 25.00 H new ATOM 949 N ALA A 478 -10.468 -46.717 -27.576 1.00 25.00 N ATOM 950 CA ALA A 478 -10.779 -47.806 -26.657 1.00 25.00 C ATOM 951 C ALA A 478 -9.558 -48.715 -26.486 1.00 25.00 C ATOM 952 O ALA A 478 -9.238 -49.125 -25.377 1.00 25.00 O ATOM 953 CB ALA A 478 -11.981 -48.611 -27.163 1.00 25.00 C ATOM 0 H ALA A 478 -11.033 -46.697 -28.425 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.037 -47.381 -25.687 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.198 -49.419 -26.464 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.849 -47.957 -27.242 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.752 -49.030 -28.143 1.00 25.00 H new ATOM 959 N ILE A 479 -8.873 -49.022 -27.577 1.00 25.00 N ATOM 960 CA ILE A 479 -7.692 -49.886 -27.506 1.00 25.00 C ATOM 961 C ILE A 479 -6.559 -49.144 -26.828 1.00 25.00 C ATOM 962 O ILE A 479 -5.780 -49.737 -26.095 1.00 25.00 O ATOM 963 CB ILE A 479 -7.203 -50.324 -28.897 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.326 -51.020 -29.669 1.00 25.00 C ATOM 965 CG2 ILE A 479 -6.000 -51.298 -28.792 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.445 -50.467 -31.024 1.00 25.00 C ATOM 0 H ILE A 479 -9.106 -48.693 -28.514 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.982 -50.773 -26.942 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.891 -49.423 -29.425 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.127 -52.090 -29.724 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.270 -50.898 -29.137 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.679 -51.588 -29.792 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.177 -50.805 -28.275 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.298 -52.186 -28.235 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.249 -50.976 -31.555 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.667 -49.402 -30.964 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.507 -50.612 -31.560 1.00 25.00 H new ATOM 978 N ALA A 480 -6.478 -47.843 -27.055 1.00 25.00 N ATOM 979 CA ALA A 480 -5.441 -47.026 -26.445 1.00 25.00 C ATOM 980 C ALA A 480 -5.543 -47.127 -24.914 1.00 25.00 C ATOM 981 O ALA A 480 -4.558 -46.966 -24.195 1.00 25.00 O ATOM 982 CB ALA A 480 -5.567 -45.571 -26.914 1.00 25.00 C ATOM 0 H ALA A 480 -7.120 -47.329 -27.659 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.461 -47.391 -26.753 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.785 -44.970 -26.450 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.463 -45.528 -27.998 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.543 -45.180 -26.628 1.00 25.00 H new ATOM 988 N LEU A 481 -6.737 -47.407 -24.420 1.00 25.00 N ATOM 989 CA LEU A 481 -6.929 -47.580 -22.978 1.00 25.00 C ATOM 990 C LEU A 481 -6.508 -48.966 -22.574 1.00 25.00 C ATOM 991 O LEU A 481 -5.859 -49.145 -21.571 1.00 25.00 O ATOM 992 CB LEU A 481 -8.375 -47.352 -22.574 1.00 25.00 C ATOM 993 CG LEU A 481 -8.808 -45.945 -22.954 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.314 -45.917 -23.104 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.344 -44.903 -21.939 1.00 25.00 C ATOM 0 H LEU A 481 -7.581 -47.519 -24.981 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.315 -46.838 -22.468 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.017 -48.083 -23.064 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.488 -47.498 -21.500 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.336 -45.684 -23.901 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.634 -44.911 -23.377 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.615 -46.617 -23.883 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.779 -46.202 -22.160 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.677 -43.914 -22.254 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.767 -45.134 -20.961 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.256 -44.916 -21.876 1.00 25.00 H new ATOM 1007 N MET A 482 -6.865 -49.959 -23.367 1.00 25.00 N ATOM 1008 CA MET A 482 -6.499 -51.337 -23.056 1.00 25.00 C ATOM 1009 C MET A 482 -5.002 -51.513 -23.009 1.00 25.00 C ATOM 1010 O MET A 482 -4.490 -52.350 -22.270 1.00 25.00 O ATOM 1011 CB MET A 482 -7.064 -52.294 -24.100 1.00 25.00 C ATOM 1012 CG MET A 482 -8.539 -52.188 -24.180 1.00 25.00 C ATOM 1013 SD MET A 482 -9.330 -53.646 -24.883 1.00 25.00 S ATOM 1014 CE MET A 482 -9.033 -53.395 -26.636 1.00 25.00 C ATOM 0 H MET A 482 -7.404 -49.844 -24.225 1.00 25.00 H new ATOM 0 HA MET A 482 -6.919 -51.563 -22.076 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.627 -52.073 -25.074 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.783 -53.317 -23.849 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.937 -52.015 -23.180 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.800 -51.318 -24.782 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.388 -54.262 -27.193 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.566 -52.505 -26.972 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.965 -53.265 -26.809 1.00 25.00 H new ATOM 1024 N THR A 483 -4.290 -50.732 -23.799 1.00 25.00 N ATOM 1025 CA THR A 483 -2.842 -50.908 -23.875 1.00 25.00 C ATOM 1026 C THR A 483 -2.186 -50.342 -22.626 1.00 25.00 C ATOM 1027 O THR A 483 -1.225 -50.914 -22.113 1.00 25.00 O ATOM 1028 CB THR A 483 -2.268 -50.267 -25.137 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.712 -48.916 -25.234 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.748 -51.021 -26.375 1.00 25.00 C ATOM 0 H THR A 483 -4.671 -49.988 -24.384 1.00 25.00 H new ATOM 0 HA THR A 483 -2.627 -51.975 -23.930 1.00 25.00 H new ATOM 0 HB THR A 483 -1.180 -50.304 -25.080 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.341 -48.507 -26.044 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.333 -50.555 -27.269 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.418 -52.058 -26.320 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.837 -50.988 -26.422 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.715 -49.238 -22.115 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.173 -48.655 -20.892 1.00 25.00 C ATOM 1040 C GLN A 484 -2.734 -49.349 -19.647 1.00 25.00 C ATOM 1041 O GLN A 484 -2.077 -49.370 -18.624 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.406 -47.136 -20.847 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.857 -46.704 -20.764 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.020 -45.211 -20.909 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.901 -44.464 -19.955 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.293 -44.772 -22.107 1.00 25.00 N ATOM 0 H GLN A 484 -3.505 -48.735 -22.519 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.095 -48.819 -20.897 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.873 -46.729 -19.988 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.962 -46.691 -21.737 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.429 -47.207 -21.544 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.274 -47.022 -19.808 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.385 -45.429 -22.882 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.414 -43.772 -22.268 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.925 -49.932 -19.719 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.484 -50.639 -18.572 1.00 25.00 C ATOM 1057 C PHE A 485 -3.733 -51.941 -18.337 1.00 25.00 C ATOM 1058 O PHE A 485 -3.558 -52.367 -17.205 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.966 -50.942 -18.808 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.903 -49.936 -18.177 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.746 -50.325 -17.120 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.950 -48.604 -18.629 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.636 -49.401 -16.523 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.836 -47.668 -18.043 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.683 -48.073 -16.988 1.00 25.00 C ATOM 0 H PHE A 485 -4.517 -49.930 -20.550 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.382 -50.003 -17.693 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.154 -50.976 -19.881 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.192 -51.933 -18.413 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.713 -51.342 -16.759 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.301 -48.292 -19.434 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -9.278 -49.714 -15.713 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.864 -46.649 -18.401 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.365 -47.366 -16.539 1.00 25.00 H new