USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 411 MET CE :methyl 141:sc= -3.09! (180deg=-5.02!) USER MOD Single : A 413 LYS NZ :NH3+ -178:sc= -4.57! (180deg=-4.82!) USER MOD Single : A 415 GLN :FLIP amide:sc= -1.29 F(o=-4.6,f=-1.3) USER MOD Single : A 417 GLN :FLIP amide:sc= -1.91! C(o=-2.6!,f=-1.9!) USER MOD Single : A 418 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.21) USER MOD Single : A 420 TYR OH : rot -165:sc= 1.1 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 52:sc= 0.382 USER MOD Single : A 425 THR OG1 : rot -38:sc= 0.406 USER MOD Single : A 429 GLN : amide:sc= -0.0825 X(o=-0.083,f=-0.042) USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.5!) USER MOD Single : A 443 ASN :FLIP amide:sc= 0.176 F(o=-0.74,f=0.18) USER MOD Single : A 447 GLN : amide:sc= -5.4! C(o=-5.4!,f=-7.3!) USER MOD Single : A 453 MET CE :methyl 146:sc= -3.39 (180deg=-5.28!) USER MOD Single : A 456 LYS NZ :NH3+ 144:sc= 0.266 (180deg=0.00569) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN :FLIP amide:sc= -0.398 F(o=-1.3,f=-0.4) USER MOD Single : A 478 THR OG1 : rot -85:sc= -0.4 USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 2.739 8.526 -9.050 1.00 0.00 N ATOM 83 CA PRO A 407 3.454 8.716 -10.301 1.00 0.00 C ATOM 84 C PRO A 407 3.151 10.090 -10.902 1.00 0.00 C ATOM 85 O PRO A 407 2.007 10.542 -10.883 1.00 0.00 O ATOM 86 CB PRO A 407 3.005 7.567 -11.189 1.00 0.00 C ATOM 87 CG PRO A 407 1.715 7.046 -10.577 1.00 0.00 C ATOM 88 CD PRO A 407 1.594 7.629 -9.178 1.00 0.00 C ATOM 0 HA PRO A 407 4.536 8.703 -10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 407 2.843 7.905 -12.213 1.00 0.00 H new ATOM 0 HB3 PRO A 407 3.763 6.784 -11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 407 0.859 7.336 -11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 407 1.724 5.957 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 407 0.654 8.166 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 407 1.617 6.847 -8.420 1.00 0.00 H new ATOM 96 N PRO A 408 4.224 10.733 -11.436 1.00 0.00 N ATOM 97 CA PRO A 408 4.085 12.046 -12.042 1.00 0.00 C ATOM 98 C PRO A 408 3.417 11.948 -13.415 1.00 0.00 C ATOM 99 O PRO A 408 3.824 11.142 -14.251 1.00 0.00 O ATOM 100 CB PRO A 408 5.498 12.601 -12.107 1.00 0.00 C ATOM 101 CG PRO A 408 6.424 11.404 -11.967 1.00 0.00 C ATOM 102 CD PRO A 408 5.594 10.228 -11.476 1.00 0.00 C ATOM 0 HA PRO A 408 3.438 12.708 -11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 408 5.671 13.120 -13.050 1.00 0.00 H new ATOM 0 HB3 PRO A 408 5.671 13.324 -11.309 1.00 0.00 H new ATOM 0 HG2 PRO A 408 6.891 11.169 -12.923 1.00 0.00 H new ATOM 0 HG3 PRO A 408 7.228 11.623 -11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 408 5.682 9.374 -12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 408 5.922 9.895 -10.491 1.00 0.00 H new ATOM 110 N GLY A 409 2.403 12.779 -13.605 1.00 0.00 N ATOM 111 CA GLY A 409 1.675 12.796 -14.863 1.00 0.00 C ATOM 112 C GLY A 409 0.413 11.936 -14.777 1.00 0.00 C ATOM 113 O GLY A 409 -0.502 12.088 -15.585 1.00 0.00 O ATOM 0 H GLY A 409 2.068 13.445 -12.909 1.00 0.00 H new ATOM 0 HA2 GLY A 409 1.404 13.821 -15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 409 2.317 12.428 -15.664 1.00 0.00 H new ATOM 117 N PHE A 410 0.404 11.052 -13.791 1.00 0.00 N ATOM 118 CA PHE A 410 -0.731 10.167 -13.589 1.00 0.00 C ATOM 119 C PHE A 410 -2.047 10.886 -13.893 1.00 0.00 C ATOM 120 O PHE A 410 -2.136 12.107 -13.768 1.00 0.00 O ATOM 121 CB PHE A 410 -0.719 9.752 -12.117 1.00 0.00 C ATOM 122 CG PHE A 410 -2.047 9.177 -11.621 1.00 0.00 C ATOM 123 CD1 PHE A 410 -2.393 7.899 -11.930 1.00 0.00 C ATOM 124 CD2 PHE A 410 -2.883 9.945 -10.871 1.00 0.00 C ATOM 125 CE1 PHE A 410 -3.626 7.366 -11.470 1.00 0.00 C ATOM 126 CE2 PHE A 410 -4.116 9.412 -10.411 1.00 0.00 C ATOM 127 CZ PHE A 410 -4.461 8.133 -10.720 1.00 0.00 C ATOM 0 H PHE A 410 1.165 10.929 -13.123 1.00 0.00 H new ATOM 0 HA PHE A 410 -0.655 9.307 -14.254 1.00 0.00 H new ATOM 0 HB2 PHE A 410 0.065 9.010 -11.966 1.00 0.00 H new ATOM 0 HB3 PHE A 410 -0.460 10.618 -11.508 1.00 0.00 H new ATOM 0 HD1 PHE A 410 -1.730 7.289 -12.525 1.00 0.00 H new ATOM 0 HD2 PHE A 410 -2.609 10.960 -10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 410 -3.901 6.351 -11.716 1.00 0.00 H new ATOM 0 HE2 PHE A 410 -4.780 10.022 -9.816 1.00 0.00 H new ATOM 0 HZ PHE A 410 -5.398 7.727 -10.369 1.00 0.00 H new ATOM 137 N MET A 411 -3.038 10.099 -14.287 1.00 0.00 N ATOM 138 CA MET A 411 -4.345 10.645 -14.610 1.00 0.00 C ATOM 139 C MET A 411 -5.383 10.238 -13.561 1.00 0.00 C ATOM 140 O MET A 411 -5.815 11.064 -12.759 1.00 0.00 O ATOM 141 CB MET A 411 -4.784 10.139 -15.986 1.00 0.00 C ATOM 142 CG MET A 411 -3.785 10.557 -17.067 1.00 0.00 C ATOM 143 SD MET A 411 -4.484 10.275 -18.685 1.00 0.00 S ATOM 144 CE MET A 411 -3.130 9.408 -19.461 1.00 0.00 C ATOM 0 H MET A 411 -2.962 9.087 -14.390 1.00 0.00 H new ATOM 0 HA MET A 411 -4.272 11.733 -14.619 1.00 0.00 H new ATOM 0 HB2 MET A 411 -4.872 9.053 -15.967 1.00 0.00 H new ATOM 0 HB3 MET A 411 -5.771 10.535 -16.225 1.00 0.00 H new ATOM 0 HG2 MET A 411 -3.530 11.610 -16.950 1.00 0.00 H new ATOM 0 HG3 MET A 411 -2.860 9.991 -16.958 1.00 0.00 H new ATOM 0 HE1 MET A 411 -3.522 8.608 -20.089 1.00 0.00 H new ATOM 0 HE2 MET A 411 -2.557 10.103 -20.074 1.00 0.00 H new ATOM 0 HE3 MET A 411 -2.483 8.982 -18.694 1.00 0.00 H new ATOM 154 N PHE A 412 -5.752 8.967 -13.603 1.00 0.00 N ATOM 155 CA PHE A 412 -6.731 8.441 -12.667 1.00 0.00 C ATOM 156 C PHE A 412 -6.703 6.911 -12.645 1.00 0.00 C ATOM 157 O PHE A 412 -5.921 6.291 -13.364 1.00 0.00 O ATOM 158 CB PHE A 412 -8.106 8.907 -13.148 1.00 0.00 C ATOM 159 CG PHE A 412 -8.344 8.700 -14.646 1.00 0.00 C ATOM 160 CD1 PHE A 412 -8.614 7.457 -15.126 1.00 0.00 C ATOM 161 CD2 PHE A 412 -8.285 9.760 -15.496 1.00 0.00 C ATOM 162 CE1 PHE A 412 -8.835 7.265 -16.515 1.00 0.00 C ATOM 163 CE2 PHE A 412 -8.506 9.568 -16.886 1.00 0.00 C ATOM 164 CZ PHE A 412 -8.776 8.324 -17.366 1.00 0.00 C ATOM 0 H PHE A 412 -5.391 8.286 -14.271 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.510 8.796 -11.660 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -8.875 8.372 -12.591 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -8.222 9.965 -12.915 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -8.660 6.616 -14.450 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -8.070 10.747 -15.114 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -9.050 6.278 -16.896 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -8.460 10.409 -17.562 1.00 0.00 H new ATOM 0 HZ PHE A 412 -8.943 8.178 -18.423 1.00 0.00 H new ATOM 174 N LYS A 413 -7.566 6.347 -11.813 1.00 0.00 N ATOM 175 CA LYS A 413 -7.650 4.902 -11.689 1.00 0.00 C ATOM 176 C LYS A 413 -8.770 4.381 -12.592 1.00 0.00 C ATOM 177 O LYS A 413 -9.792 5.043 -12.764 1.00 0.00 O ATOM 178 CB LYS A 413 -7.806 4.499 -10.221 1.00 0.00 C ATOM 179 CG LYS A 413 -7.258 3.091 -9.978 1.00 0.00 C ATOM 180 CD LYS A 413 -8.245 2.252 -9.164 1.00 0.00 C ATOM 181 CE LYS A 413 -9.192 1.476 -10.082 1.00 0.00 C ATOM 182 NZ LYS A 413 -10.442 1.133 -9.366 1.00 0.00 N ATOM 0 H LYS A 413 -8.213 6.865 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 413 -6.725 4.436 -12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -7.280 5.212 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -8.858 4.537 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -7.062 2.603 -10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.306 3.153 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -7.698 1.556 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -8.822 2.901 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -9.423 2.073 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -8.705 0.566 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -11.059 0.577 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -10.215 0.574 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -10.931 2.006 -9.084 1.00 0.00 H new ATOM 196 N VAL A 414 -8.539 3.199 -13.144 1.00 0.00 N ATOM 197 CA VAL A 414 -9.516 2.581 -14.025 1.00 0.00 C ATOM 198 C VAL A 414 -9.829 1.170 -13.522 1.00 0.00 C ATOM 199 O VAL A 414 -9.113 0.635 -12.677 1.00 0.00 O ATOM 200 CB VAL A 414 -9.006 2.602 -15.467 1.00 0.00 C ATOM 201 CG1 VAL A 414 -8.355 3.946 -15.799 1.00 0.00 C ATOM 202 CG2 VAL A 414 -8.038 1.446 -15.724 1.00 0.00 C ATOM 0 H VAL A 414 -7.690 2.653 -12.998 1.00 0.00 H new ATOM 0 HA VAL A 414 -10.449 3.144 -14.016 1.00 0.00 H new ATOM 0 HB VAL A 414 -9.864 2.473 -16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -8.001 3.934 -16.830 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -9.086 4.745 -15.676 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -7.513 4.118 -15.128 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -7.691 1.485 -16.757 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -7.185 1.529 -15.051 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -8.548 0.499 -15.548 1.00 0.00 H new ATOM 212 N GLN A 415 -10.900 0.608 -14.064 1.00 0.00 N ATOM 213 CA GLN A 415 -11.317 -0.730 -13.681 1.00 0.00 C ATOM 214 C GLN A 415 -11.601 -1.574 -14.925 1.00 0.00 C ATOM 215 O GLN A 415 -12.478 -1.239 -15.720 1.00 0.00 O ATOM 216 CB GLN A 415 -12.538 -0.682 -12.761 1.00 0.00 C ATOM 217 CG GLN A 415 -13.078 -2.088 -12.493 1.00 0.00 C ATOM 218 CD GLN A 415 -12.536 -2.642 -11.173 1.00 0.00 C ATOM 219 OE1 GLN A 415 -11.905 -3.806 -11.294 1.00 0.00 O flip ATOM 220 NE2 GLN A 415 -12.680 -2.050 -10.116 1.00 0.00 N flip ATOM 0 H GLN A 415 -11.491 1.055 -14.765 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.504 -1.198 -13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.269 -0.206 -11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -13.317 -0.070 -13.216 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -14.167 -2.063 -12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.798 -2.751 -13.312 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -13.176 -1.159 -10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -12.305 -2.446 -9.254 1.00 0.00 H new ATOM 229 N ALA A 416 -10.842 -2.652 -15.056 1.00 0.00 N ATOM 230 CA ALA A 416 -11.002 -3.547 -16.190 1.00 0.00 C ATOM 231 C ALA A 416 -12.377 -4.213 -16.119 1.00 0.00 C ATOM 232 O ALA A 416 -12.896 -4.460 -15.031 1.00 0.00 O ATOM 233 CB ALA A 416 -9.860 -4.565 -16.202 1.00 0.00 C ATOM 0 H ALA A 416 -10.114 -2.926 -14.396 1.00 0.00 H new ATOM 0 HA ALA A 416 -10.953 -2.992 -17.127 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -9.980 -5.236 -17.052 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -8.907 -4.042 -16.284 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -9.878 -5.143 -15.278 1.00 0.00 H new ATOM 239 N GLN A 417 -12.929 -4.485 -17.292 1.00 0.00 N ATOM 240 CA GLN A 417 -14.234 -5.118 -17.377 1.00 0.00 C ATOM 241 C GLN A 417 -14.127 -6.461 -18.102 1.00 0.00 C ATOM 242 O GLN A 417 -15.110 -7.193 -18.211 1.00 0.00 O ATOM 243 CB GLN A 417 -15.245 -4.201 -18.068 1.00 0.00 C ATOM 244 CG GLN A 417 -14.945 -2.731 -17.770 1.00 0.00 C ATOM 245 CD GLN A 417 -16.053 -1.825 -18.310 1.00 0.00 C ATOM 246 OE1 GLN A 417 -15.661 -1.019 -19.293 1.00 0.00 O flip ATOM 247 NE2 GLN A 417 -17.188 -1.855 -17.865 1.00 0.00 N flip ATOM 0 H GLN A 417 -12.496 -4.278 -18.192 1.00 0.00 H new ATOM 0 HA GLN A 417 -14.593 -5.302 -16.364 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -15.218 -4.370 -19.144 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -16.253 -4.446 -17.732 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -14.845 -2.587 -16.694 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -13.992 -2.452 -18.219 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -17.423 -2.498 -17.109 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -17.903 -1.237 -18.249 1.00 0.00 H new ATOM 256 N HIS A 418 -12.924 -6.745 -18.580 1.00 0.00 N ATOM 257 CA HIS A 418 -12.675 -7.987 -19.292 1.00 0.00 C ATOM 258 C HIS A 418 -11.272 -8.497 -18.959 1.00 0.00 C ATOM 259 O HIS A 418 -10.475 -7.783 -18.353 1.00 0.00 O ATOM 260 CB HIS A 418 -12.899 -7.806 -20.795 1.00 0.00 C ATOM 261 CG HIS A 418 -14.326 -7.484 -21.169 1.00 0.00 C ATOM 262 ND1 HIS A 418 -15.245 -8.455 -21.524 1.00 0.00 N ATOM 263 CD2 HIS A 418 -14.981 -6.290 -21.239 1.00 0.00 C ATOM 264 CE1 HIS A 418 -16.398 -7.861 -21.794 1.00 0.00 C ATOM 265 NE2 HIS A 418 -16.232 -6.519 -21.617 1.00 0.00 N ATOM 0 H HIS A 418 -12.111 -6.136 -18.488 1.00 0.00 H new ATOM 0 HA HIS A 418 -13.386 -8.746 -18.966 1.00 0.00 H new ATOM 0 HB2 HIS A 418 -12.251 -7.007 -21.155 1.00 0.00 H new ATOM 0 HB3 HIS A 418 -12.596 -8.718 -21.309 1.00 0.00 H new ATOM 0 HD2 HIS A 418 -14.554 -5.322 -21.023 1.00 0.00 H new ATOM 0 HE1 HIS A 418 -17.309 -8.353 -22.100 1.00 0.00 H new ATOM 0 HE2 HIS A 418 -16.951 -5.808 -21.753 1.00 0.00 H new ATOM 273 N ASP A 419 -11.013 -9.730 -19.369 1.00 0.00 N ATOM 274 CA ASP A 419 -9.719 -10.345 -19.121 1.00 0.00 C ATOM 275 C ASP A 419 -8.926 -10.397 -20.428 1.00 0.00 C ATOM 276 O ASP A 419 -9.208 -11.220 -21.298 1.00 0.00 O ATOM 277 CB ASP A 419 -9.879 -11.777 -18.608 1.00 0.00 C ATOM 278 CG ASP A 419 -8.569 -12.530 -18.372 1.00 0.00 C ATOM 279 OD1 ASP A 419 -8.098 -13.167 -19.339 1.00 0.00 O ATOM 280 OD2 ASP A 419 -8.067 -12.451 -17.230 1.00 0.00 O ATOM 0 H ASP A 419 -11.677 -10.320 -19.871 1.00 0.00 H new ATOM 0 HA ASP A 419 -9.200 -9.749 -18.370 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -10.439 -11.751 -17.673 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -10.479 -12.338 -19.324 1.00 0.00 H new ATOM 285 N TYR A 420 -7.949 -9.508 -20.526 1.00 0.00 N ATOM 286 CA TYR A 420 -7.112 -9.442 -21.712 1.00 0.00 C ATOM 287 C TYR A 420 -5.666 -9.818 -21.385 1.00 0.00 C ATOM 288 O TYR A 420 -4.928 -9.019 -20.809 1.00 0.00 O ATOM 289 CB TYR A 420 -7.155 -7.985 -22.179 1.00 0.00 C ATOM 290 CG TYR A 420 -5.879 -7.520 -22.883 1.00 0.00 C ATOM 291 CD1 TYR A 420 -5.560 -8.014 -24.131 1.00 0.00 C ATOM 292 CD2 TYR A 420 -5.047 -6.605 -22.270 1.00 0.00 C ATOM 293 CE1 TYR A 420 -4.359 -7.576 -24.794 1.00 0.00 C ATOM 294 CE2 TYR A 420 -3.847 -6.167 -22.933 1.00 0.00 C ATOM 295 CZ TYR A 420 -3.562 -6.674 -24.162 1.00 0.00 C ATOM 296 OH TYR A 420 -2.428 -6.260 -24.788 1.00 0.00 O ATOM 0 H TYR A 420 -7.718 -8.827 -19.803 1.00 0.00 H new ATOM 0 HA TYR A 420 -7.470 -10.135 -22.473 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -7.999 -7.856 -22.856 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -7.337 -7.343 -21.317 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -6.211 -8.729 -24.611 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -5.296 -6.218 -21.293 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -4.097 -7.955 -25.771 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -3.187 -5.451 -22.465 1.00 0.00 H new ATOM 0 HH TYR A 420 -1.843 -5.812 -24.142 1.00 0.00 H new ATOM 306 N THR A 421 -5.303 -11.034 -21.766 1.00 0.00 N ATOM 307 CA THR A 421 -3.958 -11.526 -21.520 1.00 0.00 C ATOM 308 C THR A 421 -2.972 -10.898 -22.508 1.00 0.00 C ATOM 309 O THR A 421 -3.036 -11.163 -23.707 1.00 0.00 O ATOM 310 CB THR A 421 -3.994 -13.054 -21.586 1.00 0.00 C ATOM 311 OG1 THR A 421 -4.426 -13.447 -20.286 1.00 0.00 O ATOM 312 CG2 THR A 421 -2.598 -13.667 -21.716 1.00 0.00 C ATOM 0 H THR A 421 -5.917 -11.693 -22.244 1.00 0.00 H new ATOM 0 HA THR A 421 -3.606 -11.237 -20.530 1.00 0.00 H new ATOM 0 HB THR A 421 -4.608 -13.367 -22.431 1.00 0.00 H new ATOM 0 HG1 THR A 421 -4.479 -14.425 -20.241 1.00 0.00 H new ATOM 0 HG21 THR A 421 -2.680 -14.753 -21.759 1.00 0.00 H new ATOM 0 HG22 THR A 421 -2.124 -13.303 -22.628 1.00 0.00 H new ATOM 0 HG23 THR A 421 -1.994 -13.382 -20.854 1.00 0.00 H new ATOM 320 N ALA A 422 -2.084 -10.077 -21.966 1.00 0.00 N ATOM 321 CA ALA A 422 -1.086 -9.410 -22.785 1.00 0.00 C ATOM 322 C ALA A 422 0.302 -9.943 -22.425 1.00 0.00 C ATOM 323 O ALA A 422 0.753 -9.795 -21.290 1.00 0.00 O ATOM 324 CB ALA A 422 -1.197 -7.896 -22.592 1.00 0.00 C ATOM 0 H ALA A 422 -2.035 -9.859 -20.971 1.00 0.00 H new ATOM 0 HA ALA A 422 -1.255 -9.618 -23.842 1.00 0.00 H new ATOM 0 HB1 ALA A 422 -0.449 -7.395 -23.206 1.00 0.00 H new ATOM 0 HB2 ALA A 422 -2.192 -7.563 -22.889 1.00 0.00 H new ATOM 0 HB3 ALA A 422 -1.030 -7.650 -21.543 1.00 0.00 H new ATOM 330 N THR A 423 0.942 -10.552 -23.413 1.00 0.00 N ATOM 331 CA THR A 423 2.269 -11.108 -23.214 1.00 0.00 C ATOM 332 C THR A 423 3.280 -10.416 -24.131 1.00 0.00 C ATOM 333 O THR A 423 3.433 -10.795 -25.291 1.00 0.00 O ATOM 334 CB THR A 423 2.187 -12.620 -23.433 1.00 0.00 C ATOM 335 OG1 THR A 423 1.489 -12.754 -24.668 1.00 0.00 O ATOM 336 CG2 THR A 423 1.277 -13.310 -22.414 1.00 0.00 C ATOM 0 H THR A 423 0.566 -10.672 -24.353 1.00 0.00 H new ATOM 0 HA THR A 423 2.623 -10.931 -22.198 1.00 0.00 H new ATOM 0 HB THR A 423 3.187 -13.050 -23.377 1.00 0.00 H new ATOM 0 HG1 THR A 423 1.919 -12.196 -25.349 1.00 0.00 H new ATOM 0 HG21 THR A 423 1.254 -14.381 -22.614 1.00 0.00 H new ATOM 0 HG22 THR A 423 1.660 -13.137 -21.408 1.00 0.00 H new ATOM 0 HG23 THR A 423 0.269 -12.904 -22.493 1.00 0.00 H new ATOM 344 N ASP A 424 3.944 -9.412 -23.576 1.00 0.00 N ATOM 345 CA ASP A 424 4.935 -8.664 -24.329 1.00 0.00 C ATOM 346 C ASP A 424 6.124 -8.342 -23.420 1.00 0.00 C ATOM 347 O ASP A 424 6.165 -8.776 -22.270 1.00 0.00 O ATOM 348 CB ASP A 424 4.358 -7.341 -24.837 1.00 0.00 C ATOM 349 CG ASP A 424 4.911 -6.869 -26.183 1.00 0.00 C ATOM 350 OD1 ASP A 424 5.049 -7.734 -27.075 1.00 0.00 O ATOM 351 OD2 ASP A 424 5.183 -5.654 -26.290 1.00 0.00 O ATOM 0 H ASP A 424 3.814 -9.100 -22.614 1.00 0.00 H new ATOM 0 HA ASP A 424 5.243 -9.274 -25.179 1.00 0.00 H new ATOM 0 HB2 ASP A 424 3.276 -7.442 -24.921 1.00 0.00 H new ATOM 0 HB3 ASP A 424 4.549 -6.569 -24.092 1.00 0.00 H new ATOM 356 N THR A 425 7.061 -7.585 -23.971 1.00 0.00 N ATOM 357 CA THR A 425 8.247 -7.201 -23.225 1.00 0.00 C ATOM 358 C THR A 425 7.939 -6.016 -22.307 1.00 0.00 C ATOM 359 O THR A 425 8.762 -5.643 -21.472 1.00 0.00 O ATOM 360 CB THR A 425 9.366 -6.916 -24.229 1.00 0.00 C ATOM 361 OG1 THR A 425 10.511 -6.679 -23.415 1.00 0.00 O ATOM 362 CG2 THR A 425 9.160 -5.597 -24.977 1.00 0.00 C ATOM 0 H THR A 425 7.023 -7.227 -24.925 1.00 0.00 H new ATOM 0 HA THR A 425 8.578 -8.005 -22.567 1.00 0.00 H new ATOM 0 HB THR A 425 9.426 -7.734 -24.947 1.00 0.00 H new ATOM 0 HG1 THR A 425 10.246 -6.176 -22.617 1.00 0.00 H new ATOM 0 HG21 THR A 425 9.982 -5.443 -25.676 1.00 0.00 H new ATOM 0 HG22 THR A 425 8.219 -5.633 -25.525 1.00 0.00 H new ATOM 0 HG23 THR A 425 9.133 -4.774 -24.263 1.00 0.00 H new ATOM 370 N ASP A 426 6.751 -5.459 -22.492 1.00 0.00 N ATOM 371 CA ASP A 426 6.324 -4.324 -21.691 1.00 0.00 C ATOM 372 C ASP A 426 4.816 -4.128 -21.856 1.00 0.00 C ATOM 373 O ASP A 426 4.353 -3.011 -22.082 1.00 0.00 O ATOM 374 CB ASP A 426 7.021 -3.039 -22.141 1.00 0.00 C ATOM 375 CG ASP A 426 8.421 -2.826 -21.564 1.00 0.00 C ATOM 376 OD1 ASP A 426 8.681 -3.393 -20.480 1.00 0.00 O ATOM 377 OD2 ASP A 426 9.201 -2.101 -22.219 1.00 0.00 O ATOM 0 H ASP A 426 6.071 -5.772 -23.185 1.00 0.00 H new ATOM 0 HA ASP A 426 6.582 -4.528 -20.652 1.00 0.00 H new ATOM 0 HB2 ASP A 426 7.090 -3.043 -23.229 1.00 0.00 H new ATOM 0 HB3 ASP A 426 6.397 -2.189 -21.864 1.00 0.00 H new ATOM 382 N GLU A 427 4.091 -5.231 -21.736 1.00 0.00 N ATOM 383 CA GLU A 427 2.645 -5.193 -21.869 1.00 0.00 C ATOM 384 C GLU A 427 1.987 -5.099 -20.490 1.00 0.00 C ATOM 385 O GLU A 427 2.656 -5.244 -19.468 1.00 0.00 O ATOM 386 CB GLU A 427 2.133 -6.413 -22.638 1.00 0.00 C ATOM 387 CG GLU A 427 1.433 -5.992 -23.931 1.00 0.00 C ATOM 388 CD GLU A 427 0.443 -4.854 -23.674 1.00 0.00 C ATOM 389 OE1 GLU A 427 -0.617 -5.148 -23.081 1.00 0.00 O ATOM 390 OE2 GLU A 427 0.770 -3.716 -24.075 1.00 0.00 O ATOM 0 H GLU A 427 4.478 -6.156 -21.548 1.00 0.00 H new ATOM 0 HA GLU A 427 2.376 -4.305 -22.440 1.00 0.00 H new ATOM 0 HB2 GLU A 427 2.966 -7.076 -22.871 1.00 0.00 H new ATOM 0 HB3 GLU A 427 1.441 -6.977 -22.013 1.00 0.00 H new ATOM 0 HG2 GLU A 427 2.175 -5.675 -24.664 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.908 -6.846 -24.359 1.00 0.00 H new ATOM 397 N LEU A 428 0.684 -4.858 -20.507 1.00 0.00 N ATOM 398 CA LEU A 428 -0.071 -4.742 -19.271 1.00 0.00 C ATOM 399 C LEU A 428 -1.231 -5.740 -19.292 1.00 0.00 C ATOM 400 O LEU A 428 -2.152 -5.610 -20.097 1.00 0.00 O ATOM 401 CB LEU A 428 -0.510 -3.294 -19.044 1.00 0.00 C ATOM 402 CG LEU A 428 -0.438 -2.790 -17.601 1.00 0.00 C ATOM 403 CD1 LEU A 428 -1.045 -3.808 -16.634 1.00 0.00 C ATOM 404 CD2 LEU A 428 0.997 -2.422 -17.220 1.00 0.00 C ATOM 0 H LEU A 428 0.132 -4.740 -21.357 1.00 0.00 H new ATOM 0 HA LEU A 428 0.556 -4.998 -18.417 1.00 0.00 H new ATOM 0 HB2 LEU A 428 0.108 -2.646 -19.666 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -1.537 -3.187 -19.394 1.00 0.00 H new ATOM 0 HG LEU A 428 -1.034 -1.880 -17.526 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -0.981 -3.425 -15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -2.090 -3.978 -16.893 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -0.497 -4.748 -16.704 1.00 0.00 H new ATOM 0 HD21 LEU A 428 1.020 -2.067 -16.190 1.00 0.00 H new ATOM 0 HD22 LEU A 428 1.635 -3.300 -17.316 1.00 0.00 H new ATOM 0 HD23 LEU A 428 1.359 -1.636 -17.883 1.00 0.00 H new ATOM 416 N GLN A 429 -1.148 -6.714 -18.398 1.00 0.00 N ATOM 417 CA GLN A 429 -2.179 -7.734 -18.304 1.00 0.00 C ATOM 418 C GLN A 429 -3.356 -7.223 -17.470 1.00 0.00 C ATOM 419 O GLN A 429 -3.159 -6.615 -16.419 1.00 0.00 O ATOM 420 CB GLN A 429 -1.616 -9.031 -17.721 1.00 0.00 C ATOM 421 CG GLN A 429 -2.481 -10.230 -18.114 1.00 0.00 C ATOM 422 CD GLN A 429 -1.643 -11.507 -18.200 1.00 0.00 C ATOM 423 OE1 GLN A 429 -1.875 -12.481 -17.503 1.00 0.00 O ATOM 424 NE2 GLN A 429 -0.657 -11.448 -19.091 1.00 0.00 N ATOM 0 H GLN A 429 -0.383 -6.819 -17.732 1.00 0.00 H new ATOM 0 HA GLN A 429 -2.539 -7.953 -19.309 1.00 0.00 H new ATOM 0 HB2 GLN A 429 -0.597 -9.181 -18.077 1.00 0.00 H new ATOM 0 HB3 GLN A 429 -1.567 -8.954 -16.635 1.00 0.00 H new ATOM 0 HG2 GLN A 429 -3.278 -10.363 -17.383 1.00 0.00 H new ATOM 0 HG3 GLN A 429 -2.958 -10.039 -19.075 1.00 0.00 H new ATOM 0 HE21 GLN A 429 -0.518 -10.601 -19.642 1.00 0.00 H new ATOM 0 HE22 GLN A 429 -0.040 -12.250 -19.223 1.00 0.00 H new ATOM 433 N LEU A 430 -4.554 -7.488 -17.971 1.00 0.00 N ATOM 434 CA LEU A 430 -5.762 -7.063 -17.286 1.00 0.00 C ATOM 435 C LEU A 430 -6.689 -8.266 -17.101 1.00 0.00 C ATOM 436 O LEU A 430 -6.699 -9.179 -17.926 1.00 0.00 O ATOM 437 CB LEU A 430 -6.414 -5.893 -18.025 1.00 0.00 C ATOM 438 CG LEU A 430 -5.869 -4.502 -17.694 1.00 0.00 C ATOM 439 CD1 LEU A 430 -6.264 -4.082 -16.277 1.00 0.00 C ATOM 440 CD2 LEU A 430 -4.355 -4.442 -17.909 1.00 0.00 C ATOM 0 H LEU A 430 -4.713 -7.992 -18.843 1.00 0.00 H new ATOM 0 HA LEU A 430 -5.523 -6.688 -16.291 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -6.303 -6.059 -19.097 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -7.482 -5.903 -17.810 1.00 0.00 H new ATOM 0 HG LEU A 430 -6.321 -3.785 -18.380 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -5.864 -3.090 -16.067 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -7.351 -4.061 -16.193 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -5.859 -4.796 -15.560 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -3.992 -3.443 -17.667 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -3.867 -5.172 -17.263 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -4.126 -4.669 -18.950 1.00 0.00 H new ATOM 452 N LYS A 431 -7.444 -8.229 -16.013 1.00 0.00 N ATOM 453 CA LYS A 431 -8.372 -9.306 -15.709 1.00 0.00 C ATOM 454 C LYS A 431 -9.756 -8.716 -15.429 1.00 0.00 C ATOM 455 O LYS A 431 -9.883 -7.753 -14.675 1.00 0.00 O ATOM 456 CB LYS A 431 -7.831 -10.174 -14.571 1.00 0.00 C ATOM 457 CG LYS A 431 -7.776 -9.388 -13.260 1.00 0.00 C ATOM 458 CD LYS A 431 -6.436 -8.665 -13.109 1.00 0.00 C ATOM 459 CE LYS A 431 -5.309 -9.657 -12.816 1.00 0.00 C ATOM 460 NZ LYS A 431 -5.261 -9.975 -11.371 1.00 0.00 N ATOM 0 H LYS A 431 -7.432 -7.471 -15.331 1.00 0.00 H new ATOM 0 HA LYS A 431 -8.476 -9.973 -16.565 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -8.464 -11.052 -14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -6.834 -10.534 -14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -8.589 -8.663 -13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -7.924 -10.066 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.211 -8.113 -14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.501 -7.935 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.462 -10.571 -13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -4.355 -9.237 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -4.491 -10.650 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -5.093 -9.103 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -6.166 -10.396 -11.078 1.00 0.00 H new ATOM 474 N ALA A 432 -10.758 -9.320 -16.050 1.00 0.00 N ATOM 475 CA ALA A 432 -12.127 -8.867 -15.877 1.00 0.00 C ATOM 476 C ALA A 432 -12.356 -8.496 -14.410 1.00 0.00 C ATOM 477 O ALA A 432 -12.616 -9.365 -13.580 1.00 0.00 O ATOM 478 CB ALA A 432 -13.090 -9.954 -16.360 1.00 0.00 C ATOM 0 H ALA A 432 -10.649 -10.120 -16.674 1.00 0.00 H new ATOM 0 HA ALA A 432 -12.314 -7.976 -16.476 1.00 0.00 H new ATOM 0 HB1 ALA A 432 -14.117 -9.614 -16.230 1.00 0.00 H new ATOM 0 HB2 ALA A 432 -12.907 -10.160 -17.415 1.00 0.00 H new ATOM 0 HB3 ALA A 432 -12.933 -10.863 -15.780 1.00 0.00 H new ATOM 484 N GLY A 433 -12.250 -7.204 -14.137 1.00 0.00 N ATOM 485 CA GLY A 433 -12.441 -6.707 -12.785 1.00 0.00 C ATOM 486 C GLY A 433 -11.097 -6.437 -12.105 1.00 0.00 C ATOM 487 O GLY A 433 -10.879 -6.852 -10.968 1.00 0.00 O ATOM 0 H GLY A 433 -12.034 -6.486 -14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 433 -13.030 -5.790 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 433 -13.007 -7.434 -12.203 1.00 0.00 H new ATOM 491 N ASP A 434 -10.232 -5.743 -12.829 1.00 0.00 N ATOM 492 CA ASP A 434 -8.916 -5.412 -12.310 1.00 0.00 C ATOM 493 C ASP A 434 -8.836 -3.906 -12.056 1.00 0.00 C ATOM 494 O ASP A 434 -9.729 -3.157 -12.452 1.00 0.00 O ATOM 495 CB ASP A 434 -7.820 -5.781 -13.312 1.00 0.00 C ATOM 496 CG ASP A 434 -6.389 -5.594 -12.803 1.00 0.00 C ATOM 497 OD1 ASP A 434 -6.179 -5.845 -11.597 1.00 0.00 O ATOM 498 OD2 ASP A 434 -5.539 -5.204 -13.632 1.00 0.00 O ATOM 0 H ASP A 434 -10.417 -5.400 -13.772 1.00 0.00 H new ATOM 0 HA ASP A 434 -8.766 -5.974 -11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -7.952 -6.823 -13.605 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -7.952 -5.178 -14.210 1.00 0.00 H new ATOM 503 N VAL A 435 -7.760 -3.505 -11.396 1.00 0.00 N ATOM 504 CA VAL A 435 -7.552 -2.102 -11.084 1.00 0.00 C ATOM 505 C VAL A 435 -6.252 -1.626 -11.736 1.00 0.00 C ATOM 506 O VAL A 435 -5.187 -2.188 -11.488 1.00 0.00 O ATOM 507 CB VAL A 435 -7.571 -1.894 -9.568 1.00 0.00 C ATOM 508 CG1 VAL A 435 -9.006 -1.847 -9.039 1.00 0.00 C ATOM 509 CG2 VAL A 435 -6.759 -2.978 -8.856 1.00 0.00 C ATOM 0 H VAL A 435 -7.022 -4.128 -11.068 1.00 0.00 H new ATOM 0 HA VAL A 435 -8.361 -1.497 -11.492 1.00 0.00 H new ATOM 0 HB VAL A 435 -7.104 -0.932 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 435 -8.991 -1.698 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 435 -9.541 -1.023 -9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 435 -9.510 -2.786 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 435 -6.789 -2.807 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 435 -7.184 -3.957 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 435 -5.725 -2.944 -9.200 1.00 0.00 H new ATOM 519 N VAL A 436 -6.383 -0.594 -12.557 1.00 0.00 N ATOM 520 CA VAL A 436 -5.232 -0.036 -13.247 1.00 0.00 C ATOM 521 C VAL A 436 -5.307 1.491 -13.202 1.00 0.00 C ATOM 522 O VAL A 436 -6.396 2.062 -13.173 1.00 0.00 O ATOM 523 CB VAL A 436 -5.156 -0.590 -14.671 1.00 0.00 C ATOM 524 CG1 VAL A 436 -4.487 0.412 -15.614 1.00 0.00 C ATOM 525 CG2 VAL A 436 -4.431 -1.937 -14.698 1.00 0.00 C ATOM 0 H VAL A 436 -7.268 -0.130 -12.760 1.00 0.00 H new ATOM 0 HA VAL A 436 -4.308 -0.331 -12.749 1.00 0.00 H new ATOM 0 HB VAL A 436 -6.175 -0.752 -15.022 1.00 0.00 H new ATOM 0 HG11 VAL A 436 -4.446 -0.006 -16.620 1.00 0.00 H new ATOM 0 HG12 VAL A 436 -5.063 1.337 -15.629 1.00 0.00 H new ATOM 0 HG13 VAL A 436 -3.475 0.620 -15.266 1.00 0.00 H new ATOM 0 HG21 VAL A 436 -4.391 -2.308 -15.722 1.00 0.00 H new ATOM 0 HG22 VAL A 436 -3.417 -1.812 -14.317 1.00 0.00 H new ATOM 0 HG23 VAL A 436 -4.967 -2.652 -14.074 1.00 0.00 H new ATOM 535 N LEU A 437 -4.135 2.110 -13.198 1.00 0.00 N ATOM 536 CA LEU A 437 -4.055 3.560 -13.158 1.00 0.00 C ATOM 537 C LEU A 437 -3.532 4.075 -14.500 1.00 0.00 C ATOM 538 O LEU A 437 -2.555 3.550 -15.033 1.00 0.00 O ATOM 539 CB LEU A 437 -3.223 4.017 -11.958 1.00 0.00 C ATOM 540 CG LEU A 437 -2.356 2.945 -11.295 1.00 0.00 C ATOM 541 CD1 LEU A 437 -1.189 3.577 -10.534 1.00 0.00 C ATOM 542 CD2 LEU A 437 -3.198 2.034 -10.399 1.00 0.00 C ATOM 0 H LEU A 437 -3.233 1.634 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 437 -5.045 3.992 -13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 437 -2.575 4.832 -12.280 1.00 0.00 H new ATOM 0 HB3 LEU A 437 -3.899 4.425 -11.207 1.00 0.00 H new ATOM 0 HG LEU A 437 -1.929 2.319 -12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 437 -0.589 2.793 -10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 437 -0.570 4.148 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 437 -1.576 4.241 -9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 437 -2.557 1.281 -9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 437 -3.674 2.629 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 437 -3.964 1.542 -10.998 1.00 0.00 H new ATOM 554 N VAL A 438 -4.205 5.096 -15.009 1.00 0.00 N ATOM 555 CA VAL A 438 -3.821 5.688 -16.279 1.00 0.00 C ATOM 556 C VAL A 438 -2.696 6.699 -16.046 1.00 0.00 C ATOM 557 O VAL A 438 -2.863 7.655 -15.290 1.00 0.00 O ATOM 558 CB VAL A 438 -5.045 6.302 -16.962 1.00 0.00 C ATOM 559 CG1 VAL A 438 -4.626 7.247 -18.091 1.00 0.00 C ATOM 560 CG2 VAL A 438 -5.988 5.214 -17.478 1.00 0.00 C ATOM 0 H VAL A 438 -5.015 5.529 -14.565 1.00 0.00 H new ATOM 0 HA VAL A 438 -3.437 4.925 -16.956 1.00 0.00 H new ATOM 0 HB VAL A 438 -5.586 6.888 -16.219 1.00 0.00 H new ATOM 0 HG11 VAL A 438 -5.514 7.670 -18.560 1.00 0.00 H new ATOM 0 HG12 VAL A 438 -4.013 8.051 -17.684 1.00 0.00 H new ATOM 0 HG13 VAL A 438 -4.052 6.694 -18.834 1.00 0.00 H new ATOM 0 HG21 VAL A 438 -6.850 5.677 -17.959 1.00 0.00 H new ATOM 0 HG22 VAL A 438 -5.462 4.589 -18.200 1.00 0.00 H new ATOM 0 HG23 VAL A 438 -6.325 4.599 -16.644 1.00 0.00 H new ATOM 570 N ILE A 439 -1.576 6.453 -16.709 1.00 0.00 N ATOM 571 CA ILE A 439 -0.424 7.329 -16.584 1.00 0.00 C ATOM 572 C ILE A 439 0.073 7.713 -17.979 1.00 0.00 C ATOM 573 O ILE A 439 -0.127 6.972 -18.939 1.00 0.00 O ATOM 574 CB ILE A 439 0.649 6.682 -15.705 1.00 0.00 C ATOM 575 CG1 ILE A 439 1.252 5.454 -16.391 1.00 0.00 C ATOM 576 CG2 ILE A 439 0.095 6.350 -14.318 1.00 0.00 C ATOM 577 CD1 ILE A 439 0.576 4.169 -15.907 1.00 0.00 C ATOM 0 H ILE A 439 -1.442 5.659 -17.335 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.702 8.254 -16.078 1.00 0.00 H new ATOM 0 HB ILE A 439 1.456 7.401 -15.565 1.00 0.00 H new ATOM 0 HG12 ILE A 439 1.139 5.544 -17.471 1.00 0.00 H new ATOM 0 HG13 ILE A 439 2.321 5.406 -16.185 1.00 0.00 H new ATOM 0 HG21 ILE A 439 0.878 5.891 -13.714 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -0.248 7.265 -13.834 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -0.740 5.657 -14.416 1.00 0.00 H new ATOM 0 HD11 ILE A 439 1.023 3.311 -16.410 1.00 0.00 H new ATOM 0 HD12 ILE A 439 0.712 4.070 -14.830 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -0.489 4.210 -16.136 1.00 0.00 H new ATOM 589 N PRO A 440 0.730 8.903 -18.047 1.00 0.00 N ATOM 590 CA PRO A 440 1.257 9.394 -19.309 1.00 0.00 C ATOM 591 C PRO A 440 2.523 8.633 -19.708 1.00 0.00 C ATOM 592 O PRO A 440 3.536 8.699 -19.014 1.00 0.00 O ATOM 593 CB PRO A 440 1.503 10.877 -19.081 1.00 0.00 C ATOM 594 CG PRO A 440 1.544 11.066 -17.574 1.00 0.00 C ATOM 595 CD PRO A 440 0.986 9.807 -16.930 1.00 0.00 C ATOM 0 HA PRO A 440 0.569 9.240 -20.141 1.00 0.00 H new ATOM 0 HB2 PRO A 440 2.440 11.192 -19.540 1.00 0.00 H new ATOM 0 HB3 PRO A 440 0.711 11.478 -19.528 1.00 0.00 H new ATOM 0 HG2 PRO A 440 2.566 11.245 -17.240 1.00 0.00 H new ATOM 0 HG3 PRO A 440 0.956 11.936 -17.282 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.696 9.375 -16.225 1.00 0.00 H new ATOM 0 HD3 PRO A 440 0.073 10.018 -16.374 1.00 0.00 H new ATOM 603 N PHE A 441 2.424 7.928 -20.825 1.00 0.00 N ATOM 604 CA PHE A 441 3.548 7.155 -21.325 1.00 0.00 C ATOM 605 C PHE A 441 4.759 8.053 -21.585 1.00 0.00 C ATOM 606 O PHE A 441 4.740 9.237 -21.253 1.00 0.00 O ATOM 607 CB PHE A 441 3.104 6.522 -22.645 1.00 0.00 C ATOM 608 CG PHE A 441 2.212 7.425 -23.499 1.00 0.00 C ATOM 609 CD1 PHE A 441 2.341 8.777 -23.423 1.00 0.00 C ATOM 610 CD2 PHE A 441 1.289 6.877 -24.334 1.00 0.00 C ATOM 611 CE1 PHE A 441 1.513 9.615 -24.215 1.00 0.00 C ATOM 612 CE2 PHE A 441 0.461 7.715 -25.126 1.00 0.00 C ATOM 613 CZ PHE A 441 0.590 9.067 -25.050 1.00 0.00 C ATOM 0 H PHE A 441 1.582 7.876 -21.398 1.00 0.00 H new ATOM 0 HA PHE A 441 3.838 6.403 -20.591 1.00 0.00 H new ATOM 0 HB2 PHE A 441 3.988 6.252 -23.222 1.00 0.00 H new ATOM 0 HB3 PHE A 441 2.568 5.597 -22.431 1.00 0.00 H new ATOM 0 HD1 PHE A 441 3.074 9.213 -22.760 1.00 0.00 H new ATOM 0 HD2 PHE A 441 1.186 5.804 -24.395 1.00 0.00 H new ATOM 0 HE1 PHE A 441 1.616 10.688 -24.154 1.00 0.00 H new ATOM 0 HE2 PHE A 441 -0.272 7.279 -25.789 1.00 0.00 H new ATOM 0 HZ PHE A 441 -0.040 9.705 -25.652 1.00 0.00 H new ATOM 623 N GLN A 442 5.783 7.456 -22.176 1.00 0.00 N ATOM 624 CA GLN A 442 7.000 8.187 -22.485 1.00 0.00 C ATOM 625 C GLN A 442 6.822 8.994 -23.772 1.00 0.00 C ATOM 626 O GLN A 442 7.414 10.061 -23.927 1.00 0.00 O ATOM 627 CB GLN A 442 8.196 7.240 -22.592 1.00 0.00 C ATOM 628 CG GLN A 442 8.013 6.254 -23.747 1.00 0.00 C ATOM 629 CD GLN A 442 8.534 4.865 -23.370 1.00 0.00 C ATOM 630 OE1 GLN A 442 9.076 4.647 -22.300 1.00 0.00 O ATOM 631 NE2 GLN A 442 8.339 3.942 -24.308 1.00 0.00 N ATOM 0 H GLN A 442 5.795 6.473 -22.449 1.00 0.00 H new ATOM 0 HA GLN A 442 7.201 8.881 -21.669 1.00 0.00 H new ATOM 0 HB2 GLN A 442 9.109 7.817 -22.743 1.00 0.00 H new ATOM 0 HB3 GLN A 442 8.316 6.692 -21.657 1.00 0.00 H new ATOM 0 HG2 GLN A 442 6.958 6.191 -24.012 1.00 0.00 H new ATOM 0 HG3 GLN A 442 8.542 6.618 -24.628 1.00 0.00 H new ATOM 0 HE21 GLN A 442 7.878 4.193 -25.182 1.00 0.00 H new ATOM 0 HE22 GLN A 442 8.651 2.983 -24.153 1.00 0.00 H new ATOM 640 N ASN A 443 6.004 8.453 -24.664 1.00 0.00 N ATOM 641 CA ASN A 443 5.741 9.110 -25.933 1.00 0.00 C ATOM 642 C ASN A 443 4.476 8.517 -26.556 1.00 0.00 C ATOM 643 O ASN A 443 4.184 7.336 -26.375 1.00 0.00 O ATOM 644 CB ASN A 443 6.896 8.895 -26.914 1.00 0.00 C ATOM 645 CG ASN A 443 7.714 10.176 -27.086 1.00 0.00 C ATOM 646 OD1 ASN A 443 7.483 10.816 -28.229 1.00 0.00 O flip ATOM 647 ND2 ASN A 443 8.503 10.559 -26.238 1.00 0.00 N flip ATOM 0 H ASN A 443 5.515 7.567 -24.533 1.00 0.00 H new ATOM 0 HA ASN A 443 5.623 10.177 -25.743 1.00 0.00 H new ATOM 0 HB2 ASN A 443 7.540 8.093 -26.553 1.00 0.00 H new ATOM 0 HB3 ASN A 443 6.503 8.577 -27.880 1.00 0.00 H new ATOM 0 HD21 ASN A 443 8.633 10.020 -25.382 1.00 0.00 H new ATOM 0 HD22 ASN A 443 9.033 11.418 -26.385 1.00 0.00 H new ATOM 654 N PRO A 444 3.738 9.387 -27.297 1.00 0.00 N ATOM 655 CA PRO A 444 2.511 8.963 -27.948 1.00 0.00 C ATOM 656 C PRO A 444 2.811 8.112 -29.183 1.00 0.00 C ATOM 657 O PRO A 444 1.938 7.403 -29.681 1.00 0.00 O ATOM 658 CB PRO A 444 1.775 10.251 -28.279 1.00 0.00 C ATOM 659 CG PRO A 444 2.819 11.354 -28.223 1.00 0.00 C ATOM 660 CD PRO A 444 4.053 10.793 -27.534 1.00 0.00 C ATOM 0 HA PRO A 444 1.899 8.322 -27.314 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.317 10.196 -29.267 1.00 0.00 H new ATOM 0 HB3 PRO A 444 0.972 10.437 -27.565 1.00 0.00 H new ATOM 0 HG2 PRO A 444 3.066 11.698 -29.228 1.00 0.00 H new ATOM 0 HG3 PRO A 444 2.435 12.216 -27.677 1.00 0.00 H new ATOM 0 HD2 PRO A 444 4.939 10.900 -28.160 1.00 0.00 H new ATOM 0 HD3 PRO A 444 4.257 11.316 -26.600 1.00 0.00 H new ATOM 668 N GLU A 445 4.050 8.209 -29.643 1.00 0.00 N ATOM 669 CA GLU A 445 4.477 7.458 -30.811 1.00 0.00 C ATOM 670 C GLU A 445 4.614 5.973 -30.465 1.00 0.00 C ATOM 671 O GLU A 445 4.689 5.129 -31.357 1.00 0.00 O ATOM 672 CB GLU A 445 5.787 8.013 -31.372 1.00 0.00 C ATOM 673 CG GLU A 445 6.968 7.647 -30.471 1.00 0.00 C ATOM 674 CD GLU A 445 7.913 6.670 -31.174 1.00 0.00 C ATOM 675 OE1 GLU A 445 7.410 5.614 -31.617 1.00 0.00 O ATOM 676 OE2 GLU A 445 9.115 7.001 -31.254 1.00 0.00 O ATOM 0 H GLU A 445 4.772 8.797 -29.227 1.00 0.00 H new ATOM 0 HA GLU A 445 3.716 7.563 -31.585 1.00 0.00 H new ATOM 0 HB2 GLU A 445 5.954 7.618 -32.374 1.00 0.00 H new ATOM 0 HB3 GLU A 445 5.717 9.097 -31.464 1.00 0.00 H new ATOM 0 HG2 GLU A 445 7.513 8.550 -30.195 1.00 0.00 H new ATOM 0 HG3 GLU A 445 6.600 7.201 -29.547 1.00 0.00 H new ATOM 683 N GLU A 446 4.641 5.700 -29.169 1.00 0.00 N ATOM 684 CA GLU A 446 4.768 4.333 -28.695 1.00 0.00 C ATOM 685 C GLU A 446 3.394 3.770 -28.324 1.00 0.00 C ATOM 686 O GLU A 446 3.247 2.567 -28.117 1.00 0.00 O ATOM 687 CB GLU A 446 5.733 4.250 -27.510 1.00 0.00 C ATOM 688 CG GLU A 446 7.052 4.956 -27.828 1.00 0.00 C ATOM 689 CD GLU A 446 8.246 4.041 -27.545 1.00 0.00 C ATOM 690 OE1 GLU A 446 8.073 2.814 -27.716 1.00 0.00 O ATOM 691 OE2 GLU A 446 9.303 4.588 -27.164 1.00 0.00 O ATOM 0 H GLU A 446 4.577 6.403 -28.432 1.00 0.00 H new ATOM 0 HA GLU A 446 5.182 3.727 -29.501 1.00 0.00 H new ATOM 0 HB2 GLU A 446 5.276 4.705 -26.631 1.00 0.00 H new ATOM 0 HB3 GLU A 446 5.925 3.205 -27.265 1.00 0.00 H new ATOM 0 HG2 GLU A 446 7.063 5.260 -28.875 1.00 0.00 H new ATOM 0 HG3 GLU A 446 7.136 5.864 -27.231 1.00 0.00 H new ATOM 698 N GLN A 447 2.423 4.668 -28.250 1.00 0.00 N ATOM 699 CA GLN A 447 1.066 4.277 -27.907 1.00 0.00 C ATOM 700 C GLN A 447 0.288 3.899 -29.169 1.00 0.00 C ATOM 701 O GLN A 447 0.572 4.405 -30.253 1.00 0.00 O ATOM 702 CB GLN A 447 0.353 5.389 -27.136 1.00 0.00 C ATOM 703 CG GLN A 447 -0.752 4.817 -26.245 1.00 0.00 C ATOM 704 CD GLN A 447 -2.004 5.695 -26.294 1.00 0.00 C ATOM 705 OE1 GLN A 447 -2.293 6.460 -25.388 1.00 0.00 O ATOM 706 NE2 GLN A 447 -2.729 5.543 -27.398 1.00 0.00 N ATOM 0 H GLN A 447 2.549 5.666 -28.422 1.00 0.00 H new ATOM 0 HA GLN A 447 1.114 3.403 -27.257 1.00 0.00 H new ATOM 0 HB2 GLN A 447 1.074 5.932 -26.524 1.00 0.00 H new ATOM 0 HB3 GLN A 447 -0.075 6.106 -27.837 1.00 0.00 H new ATOM 0 HG2 GLN A 447 -0.999 3.806 -26.569 1.00 0.00 H new ATOM 0 HG3 GLN A 447 -0.395 4.744 -25.218 1.00 0.00 H new ATOM 0 HE21 GLN A 447 -2.430 4.885 -28.118 1.00 0.00 H new ATOM 0 HE22 GLN A 447 -3.584 6.084 -27.525 1.00 0.00 H new ATOM 715 N ASP A 448 -0.679 3.011 -28.986 1.00 0.00 N ATOM 716 CA ASP A 448 -1.500 2.559 -30.096 1.00 0.00 C ATOM 717 C ASP A 448 -2.902 3.156 -29.963 1.00 0.00 C ATOM 718 O ASP A 448 -3.311 3.554 -28.873 1.00 0.00 O ATOM 719 CB ASP A 448 -1.633 1.035 -30.098 1.00 0.00 C ATOM 720 CG ASP A 448 -2.325 0.448 -31.329 1.00 0.00 C ATOM 721 OD1 ASP A 448 -1.637 0.333 -32.367 1.00 0.00 O ATOM 722 OD2 ASP A 448 -3.527 0.127 -31.206 1.00 0.00 O ATOM 0 H ASP A 448 -0.912 2.593 -28.085 1.00 0.00 H new ATOM 0 HA ASP A 448 -1.022 2.880 -31.022 1.00 0.00 H new ATOM 0 HB2 ASP A 448 -0.638 0.598 -30.017 1.00 0.00 H new ATOM 0 HB3 ASP A 448 -2.187 0.733 -29.209 1.00 0.00 H new ATOM 727 N GLU A 449 -3.601 3.199 -31.088 1.00 0.00 N ATOM 728 CA GLU A 449 -4.950 3.740 -31.111 1.00 0.00 C ATOM 729 C GLU A 449 -5.925 2.763 -30.452 1.00 0.00 C ATOM 730 O GLU A 449 -6.245 1.721 -31.022 1.00 0.00 O ATOM 731 CB GLU A 449 -5.384 4.069 -32.540 1.00 0.00 C ATOM 732 CG GLU A 449 -5.352 5.579 -32.790 1.00 0.00 C ATOM 733 CD GLU A 449 -5.982 5.925 -34.140 1.00 0.00 C ATOM 734 OE1 GLU A 449 -7.104 5.432 -34.387 1.00 0.00 O ATOM 735 OE2 GLU A 449 -5.327 6.674 -34.896 1.00 0.00 O ATOM 0 H GLU A 449 -3.259 2.868 -31.990 1.00 0.00 H new ATOM 0 HA GLU A 449 -4.958 4.669 -30.541 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -4.726 3.566 -33.248 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -6.391 3.689 -32.715 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -5.887 6.095 -31.992 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -4.322 5.934 -32.764 1.00 0.00 H new ATOM 742 N GLY A 450 -6.372 3.134 -29.261 1.00 0.00 N ATOM 743 CA GLY A 450 -7.304 2.303 -28.519 1.00 0.00 C ATOM 744 C GLY A 450 -6.630 1.681 -27.295 1.00 0.00 C ATOM 745 O GLY A 450 -7.274 0.978 -26.518 1.00 0.00 O ATOM 0 H GLY A 450 -6.106 4.000 -28.792 1.00 0.00 H new ATOM 0 HA2 GLY A 450 -8.158 2.902 -28.203 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -7.689 1.515 -29.166 1.00 0.00 H new ATOM 749 N TRP A 451 -5.342 1.961 -27.162 1.00 0.00 N ATOM 750 CA TRP A 451 -4.573 1.437 -26.046 1.00 0.00 C ATOM 751 C TRP A 451 -3.670 2.558 -25.527 1.00 0.00 C ATOM 752 O TRP A 451 -3.119 3.329 -26.310 1.00 0.00 O ATOM 753 CB TRP A 451 -3.797 0.184 -26.455 1.00 0.00 C ATOM 754 CG TRP A 451 -4.551 -0.727 -27.425 1.00 0.00 C ATOM 755 CD1 TRP A 451 -5.139 -0.394 -28.582 1.00 0.00 C ATOM 756 CD2 TRP A 451 -4.777 -2.144 -27.274 1.00 0.00 C ATOM 757 NE1 TRP A 451 -5.725 -1.488 -29.186 1.00 0.00 N ATOM 758 CE2 TRP A 451 -5.497 -2.586 -28.365 1.00 0.00 C ATOM 759 CE3 TRP A 451 -4.385 -3.024 -26.250 1.00 0.00 C ATOM 760 CZ2 TRP A 451 -5.888 -3.920 -28.536 1.00 0.00 C ATOM 761 CZ3 TRP A 451 -4.783 -4.353 -26.436 1.00 0.00 C ATOM 762 CH2 TRP A 451 -5.509 -4.814 -27.528 1.00 0.00 C ATOM 0 H TRP A 451 -4.811 2.544 -27.809 1.00 0.00 H new ATOM 0 HA TRP A 451 -5.232 1.119 -25.238 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -2.856 0.486 -26.914 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -3.547 -0.384 -25.559 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.153 0.606 -28.991 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -6.232 -1.490 -30.071 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.821 -2.700 -25.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -6.452 -4.242 -29.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -4.507 -5.071 -25.678 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -5.779 -5.857 -27.598 1.00 0.00 H new ATOM 773 N LEU A 452 -3.547 2.612 -24.209 1.00 0.00 N ATOM 774 CA LEU A 452 -2.720 3.625 -23.575 1.00 0.00 C ATOM 775 C LEU A 452 -1.834 2.966 -22.516 1.00 0.00 C ATOM 776 O LEU A 452 -1.990 1.782 -22.222 1.00 0.00 O ATOM 777 CB LEU A 452 -3.588 4.761 -23.031 1.00 0.00 C ATOM 778 CG LEU A 452 -5.079 4.454 -22.882 1.00 0.00 C ATOM 779 CD1 LEU A 452 -5.307 3.310 -21.893 1.00 0.00 C ATOM 780 CD2 LEU A 452 -5.862 5.711 -22.496 1.00 0.00 C ATOM 0 H LEU A 452 -4.006 1.971 -23.562 1.00 0.00 H new ATOM 0 HA LEU A 452 -2.054 4.085 -24.305 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -3.199 5.054 -22.056 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -3.479 5.622 -23.690 1.00 0.00 H new ATOM 0 HG LEU A 452 -5.458 4.123 -23.849 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -6.375 3.112 -21.806 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -4.800 2.414 -22.250 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -4.908 3.588 -20.917 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -6.919 5.465 -22.397 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -5.488 6.095 -21.547 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -5.737 6.469 -23.269 1.00 0.00 H new ATOM 792 N MET A 453 -0.925 3.761 -21.973 1.00 0.00 N ATOM 793 CA MET A 453 -0.014 3.269 -20.953 1.00 0.00 C ATOM 794 C MET A 453 -0.637 3.384 -19.560 1.00 0.00 C ATOM 795 O MET A 453 -0.979 4.480 -19.117 1.00 0.00 O ATOM 796 CB MET A 453 1.286 4.074 -20.998 1.00 0.00 C ATOM 797 CG MET A 453 2.119 3.842 -19.736 1.00 0.00 C ATOM 798 SD MET A 453 3.818 3.515 -20.176 1.00 0.00 S ATOM 799 CE MET A 453 3.624 1.956 -21.023 1.00 0.00 C ATOM 0 H MET A 453 -0.799 4.743 -22.220 1.00 0.00 H new ATOM 0 HA MET A 453 0.192 2.218 -21.153 1.00 0.00 H new ATOM 0 HB2 MET A 453 1.864 3.789 -21.877 1.00 0.00 H new ATOM 0 HB3 MET A 453 1.057 5.135 -21.097 1.00 0.00 H new ATOM 0 HG2 MET A 453 2.065 4.717 -19.089 1.00 0.00 H new ATOM 0 HG3 MET A 453 1.713 3.002 -19.172 1.00 0.00 H new ATOM 0 HE1 MET A 453 4.349 1.890 -21.834 1.00 0.00 H new ATOM 0 HE2 MET A 453 3.789 1.138 -20.322 1.00 0.00 H new ATOM 0 HE3 MET A 453 2.616 1.887 -21.431 1.00 0.00 H new ATOM 809 N GLY A 454 -0.767 2.238 -18.908 1.00 0.00 N ATOM 810 CA GLY A 454 -1.343 2.196 -17.575 1.00 0.00 C ATOM 811 C GLY A 454 -0.647 1.143 -16.710 1.00 0.00 C ATOM 812 O GLY A 454 0.011 0.243 -17.230 1.00 0.00 O ATOM 0 H GLY A 454 -0.483 1.331 -19.278 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -1.253 3.175 -17.105 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -2.407 1.971 -17.642 1.00 0.00 H new ATOM 816 N VAL A 455 -0.815 1.292 -15.404 1.00 0.00 N ATOM 817 CA VAL A 455 -0.211 0.365 -14.462 1.00 0.00 C ATOM 818 C VAL A 455 -1.295 -0.194 -13.537 1.00 0.00 C ATOM 819 O VAL A 455 -2.246 0.507 -13.195 1.00 0.00 O ATOM 820 CB VAL A 455 0.924 1.056 -13.703 1.00 0.00 C ATOM 821 CG1 VAL A 455 0.374 1.981 -12.616 1.00 0.00 C ATOM 822 CG2 VAL A 455 1.892 0.029 -13.112 1.00 0.00 C ATOM 0 H VAL A 455 -1.360 2.040 -14.976 1.00 0.00 H new ATOM 0 HA VAL A 455 0.234 -0.479 -14.989 1.00 0.00 H new ATOM 0 HB VAL A 455 1.478 1.669 -14.414 1.00 0.00 H new ATOM 0 HG11 VAL A 455 1.202 2.459 -12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 455 -0.256 2.744 -13.072 1.00 0.00 H new ATOM 0 HG13 VAL A 455 -0.216 1.399 -11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 455 2.689 0.546 -12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 455 1.355 -0.622 -12.422 1.00 0.00 H new ATOM 0 HG23 VAL A 455 2.322 -0.570 -13.915 1.00 0.00 H new ATOM 832 N LYS A 456 -1.114 -1.451 -13.159 1.00 0.00 N ATOM 833 CA LYS A 456 -2.065 -2.111 -12.280 1.00 0.00 C ATOM 834 C LYS A 456 -1.937 -1.532 -10.870 1.00 0.00 C ATOM 835 O LYS A 456 -0.966 -0.841 -10.564 1.00 0.00 O ATOM 836 CB LYS A 456 -1.883 -3.629 -12.340 1.00 0.00 C ATOM 837 CG LYS A 456 -3.030 -4.288 -13.110 1.00 0.00 C ATOM 838 CD LYS A 456 -2.827 -5.802 -13.206 1.00 0.00 C ATOM 839 CE LYS A 456 -1.482 -6.135 -13.857 1.00 0.00 C ATOM 840 NZ LYS A 456 -0.560 -6.730 -12.864 1.00 0.00 N ATOM 0 H LYS A 456 -0.324 -2.029 -13.445 1.00 0.00 H new ATOM 0 HA LYS A 456 -3.086 -1.921 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.934 -3.867 -12.820 1.00 0.00 H new ATOM 0 HB3 LYS A 456 -1.839 -4.034 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 456 -3.976 -4.075 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 456 -3.093 -3.862 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -2.872 -6.242 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 456 -3.636 -6.245 -13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 456 -1.633 -6.829 -14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 456 -1.040 -5.231 -14.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 0.021 -7.460 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.058 -5.989 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 -1.110 -7.160 -12.093 1.00 0.00 H new ATOM 854 N GLU A 457 -2.932 -1.835 -10.048 1.00 0.00 N ATOM 855 CA GLU A 457 -2.943 -1.352 -8.678 1.00 0.00 C ATOM 856 C GLU A 457 -1.734 -1.896 -7.914 1.00 0.00 C ATOM 857 O GLU A 457 -1.103 -1.171 -7.146 1.00 0.00 O ATOM 858 CB GLU A 457 -4.249 -1.728 -7.975 1.00 0.00 C ATOM 859 CG GLU A 457 -4.232 -1.282 -6.512 1.00 0.00 C ATOM 860 CD GLU A 457 -5.649 -0.996 -6.009 1.00 0.00 C ATOM 861 OE1 GLU A 457 -6.298 -1.965 -5.560 1.00 0.00 O ATOM 862 OE2 GLU A 457 -6.050 0.185 -6.086 1.00 0.00 O ATOM 0 H GLU A 457 -3.735 -2.409 -10.305 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.878 -0.264 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -5.090 -1.264 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -4.398 -2.807 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.774 -2.057 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -3.618 -0.387 -6.408 1.00 0.00 H new ATOM 869 N SER A 458 -1.448 -3.168 -8.151 1.00 0.00 N ATOM 870 CA SER A 458 -0.326 -3.817 -7.494 1.00 0.00 C ATOM 871 C SER A 458 0.989 -3.188 -7.960 1.00 0.00 C ATOM 872 O SER A 458 1.876 -2.925 -7.150 1.00 0.00 O ATOM 873 CB SER A 458 -0.321 -5.322 -7.771 1.00 0.00 C ATOM 874 OG SER A 458 0.025 -6.077 -6.613 1.00 0.00 O ATOM 0 H SER A 458 -1.974 -3.766 -8.788 1.00 0.00 H new ATOM 0 HA SER A 458 -0.430 -3.673 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 458 -1.306 -5.629 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 458 0.386 -5.541 -8.571 1.00 0.00 H new ATOM 0 HG SER A 458 0.015 -7.033 -6.831 1.00 0.00 H new ATOM 880 N ASP A 459 1.072 -2.964 -9.263 1.00 0.00 N ATOM 881 CA ASP A 459 2.263 -2.370 -9.846 1.00 0.00 C ATOM 882 C ASP A 459 2.473 -0.975 -9.255 1.00 0.00 C ATOM 883 O ASP A 459 3.609 -0.536 -9.079 1.00 0.00 O ATOM 884 CB ASP A 459 2.120 -2.225 -11.363 1.00 0.00 C ATOM 885 CG ASP A 459 2.122 -3.542 -12.142 1.00 0.00 C ATOM 886 OD1 ASP A 459 1.234 -4.373 -11.853 1.00 0.00 O ATOM 887 OD2 ASP A 459 3.011 -3.688 -13.008 1.00 0.00 O ATOM 0 H ASP A 459 0.334 -3.183 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 459 3.108 -3.022 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 459 1.191 -1.696 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 459 2.934 -1.601 -11.732 1.00 0.00 H new ATOM 892 N TRP A 460 1.361 -0.316 -8.966 1.00 0.00 N ATOM 893 CA TRP A 460 1.409 1.021 -8.398 1.00 0.00 C ATOM 894 C TRP A 460 2.309 0.977 -7.161 1.00 0.00 C ATOM 895 O TRP A 460 3.003 1.947 -6.860 1.00 0.00 O ATOM 896 CB TRP A 460 0.002 1.540 -8.096 1.00 0.00 C ATOM 897 CG TRP A 460 -0.035 2.987 -7.602 1.00 0.00 C ATOM 898 CD1 TRP A 460 0.991 3.837 -7.460 1.00 0.00 C ATOM 899 CD2 TRP A 460 -1.204 3.724 -7.186 1.00 0.00 C ATOM 900 NE1 TRP A 460 0.571 5.063 -6.986 1.00 0.00 N ATOM 901 CE2 TRP A 460 -0.807 4.992 -6.814 1.00 0.00 C ATOM 902 CE3 TRP A 460 -2.553 3.332 -7.127 1.00 0.00 C ATOM 903 CZ2 TRP A 460 -1.697 5.971 -6.357 1.00 0.00 C ATOM 904 CZ3 TRP A 460 -3.430 4.322 -6.667 1.00 0.00 C ATOM 905 CH2 TRP A 460 -3.046 5.603 -6.289 1.00 0.00 C ATOM 0 H TRP A 460 0.421 -0.683 -9.114 1.00 0.00 H new ATOM 0 HA TRP A 460 1.832 1.728 -9.112 1.00 0.00 H new ATOM 0 HB2 TRP A 460 -0.605 1.459 -8.998 1.00 0.00 H new ATOM 0 HB3 TRP A 460 -0.457 0.898 -7.344 1.00 0.00 H new ATOM 0 HD1 TRP A 460 2.018 3.593 -7.688 1.00 0.00 H new ATOM 0 HE1 TRP A 460 1.162 5.872 -6.797 1.00 0.00 H new ATOM 0 HE3 TRP A 460 -2.886 2.346 -7.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 -1.361 6.957 -6.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 -4.479 4.072 -6.601 1.00 0.00 H new ATOM 0 HH2 TRP A 460 -3.785 6.311 -5.944 1.00 0.00 H new ATOM 1075 N ARG A 470 6.013 -0.592 -16.353 1.00 0.00 N ATOM 1076 CA ARG A 470 5.069 0.059 -17.245 1.00 0.00 C ATOM 1077 C ARG A 470 4.525 -0.942 -18.266 1.00 0.00 C ATOM 1078 O ARG A 470 5.177 -1.940 -18.570 1.00 0.00 O ATOM 1079 CB ARG A 470 5.725 1.227 -17.984 1.00 0.00 C ATOM 1080 CG ARG A 470 6.418 2.176 -17.005 1.00 0.00 C ATOM 1081 CD ARG A 470 6.249 3.633 -17.440 1.00 0.00 C ATOM 1082 NE ARG A 470 7.501 4.125 -18.058 1.00 0.00 N ATOM 1083 CZ ARG A 470 7.609 5.289 -18.712 1.00 0.00 C ATOM 1084 NH1 ARG A 470 6.540 6.088 -18.839 1.00 0.00 N ATOM 1085 NH2 ARG A 470 8.785 5.655 -19.240 1.00 0.00 N ATOM 0 HA ARG A 470 4.250 0.443 -16.637 1.00 0.00 H new ATOM 0 HB2 ARG A 470 6.451 0.846 -18.702 1.00 0.00 H new ATOM 0 HB3 ARG A 470 4.971 1.772 -18.552 1.00 0.00 H new ATOM 0 HG2 ARG A 470 6.003 2.041 -16.006 1.00 0.00 H new ATOM 0 HG3 ARG A 470 7.479 1.931 -16.945 1.00 0.00 H new ATOM 0 HD2 ARG A 470 5.426 3.716 -18.150 1.00 0.00 H new ATOM 0 HD3 ARG A 470 5.991 4.251 -16.580 1.00 0.00 H new ATOM 0 HE ARG A 470 8.334 3.541 -17.981 1.00 0.00 H new ATOM 0 HH11 ARG A 470 5.645 5.810 -18.438 1.00 0.00 H new ATOM 0 HH12 ARG A 470 6.622 6.974 -19.337 1.00 0.00 H new ATOM 0 HH21 ARG A 470 9.598 5.047 -19.144 1.00 0.00 H new ATOM 0 HH22 ARG A 470 8.867 6.541 -19.738 1.00 0.00 H new ATOM 1099 N GLY A 471 3.337 -0.640 -18.768 1.00 0.00 N ATOM 1100 CA GLY A 471 2.698 -1.501 -19.749 1.00 0.00 C ATOM 1101 C GLY A 471 1.615 -0.745 -20.520 1.00 0.00 C ATOM 1102 O GLY A 471 1.391 0.441 -20.281 1.00 0.00 O ATOM 0 H GLY A 471 2.800 0.189 -18.514 1.00 0.00 H new ATOM 0 HA2 GLY A 471 3.445 -1.883 -20.445 1.00 0.00 H new ATOM 0 HA3 GLY A 471 2.258 -2.364 -19.249 1.00 0.00 H new ATOM 1106 N VAL A 472 0.970 -1.462 -21.429 1.00 0.00 N ATOM 1107 CA VAL A 472 -0.084 -0.873 -22.236 1.00 0.00 C ATOM 1108 C VAL A 472 -1.353 -1.718 -22.105 1.00 0.00 C ATOM 1109 O VAL A 472 -1.278 -2.929 -21.898 1.00 0.00 O ATOM 1110 CB VAL A 472 0.387 -0.723 -23.684 1.00 0.00 C ATOM 1111 CG1 VAL A 472 -0.793 -0.801 -24.656 1.00 0.00 C ATOM 1112 CG2 VAL A 472 1.168 0.579 -23.874 1.00 0.00 C ATOM 0 H VAL A 472 1.157 -2.445 -21.624 1.00 0.00 H new ATOM 0 HA VAL A 472 -0.322 0.129 -21.880 1.00 0.00 H new ATOM 0 HB VAL A 472 1.059 -1.553 -23.905 1.00 0.00 H new ATOM 0 HG11 VAL A 472 -0.430 -0.691 -25.678 1.00 0.00 H new ATOM 0 HG12 VAL A 472 -1.290 -1.765 -24.549 1.00 0.00 H new ATOM 0 HG13 VAL A 472 -1.500 -0.002 -24.434 1.00 0.00 H new ATOM 0 HG21 VAL A 472 1.491 0.661 -24.912 1.00 0.00 H new ATOM 0 HG22 VAL A 472 0.529 1.426 -23.625 1.00 0.00 H new ATOM 0 HG23 VAL A 472 2.041 0.578 -23.221 1.00 0.00 H new ATOM 1122 N PHE A 473 -2.488 -1.048 -22.232 1.00 0.00 N ATOM 1123 CA PHE A 473 -3.771 -1.722 -22.130 1.00 0.00 C ATOM 1124 C PHE A 473 -4.853 -0.963 -22.902 1.00 0.00 C ATOM 1125 O PHE A 473 -4.811 0.263 -22.993 1.00 0.00 O ATOM 1126 CB PHE A 473 -4.146 -1.750 -20.647 1.00 0.00 C ATOM 1127 CG PHE A 473 -4.570 -0.392 -20.086 1.00 0.00 C ATOM 1128 CD1 PHE A 473 -3.650 0.598 -19.931 1.00 0.00 C ATOM 1129 CD2 PHE A 473 -5.868 -0.173 -19.743 1.00 0.00 C ATOM 1130 CE1 PHE A 473 -4.045 1.859 -19.410 1.00 0.00 C ATOM 1131 CE2 PHE A 473 -6.263 1.088 -19.223 1.00 0.00 C ATOM 1132 CZ PHE A 473 -5.343 2.077 -19.067 1.00 0.00 C ATOM 0 H PHE A 473 -2.546 -0.044 -22.405 1.00 0.00 H new ATOM 0 HA PHE A 473 -3.698 -2.725 -22.551 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -4.959 -2.461 -20.502 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -3.295 -2.118 -20.075 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -2.619 0.425 -20.204 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -6.599 -0.959 -19.866 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -3.315 2.645 -19.286 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -7.294 1.261 -18.952 1.00 0.00 H new ATOM 0 HZ PHE A 473 -5.643 3.036 -18.671 1.00 0.00 H new ATOM 1142 N PRO A 474 -5.821 -1.743 -23.453 1.00 0.00 N ATOM 1143 CA PRO A 474 -6.911 -1.158 -24.214 1.00 0.00 C ATOM 1144 C PRO A 474 -7.929 -0.489 -23.288 1.00 0.00 C ATOM 1145 O PRO A 474 -8.540 -1.151 -22.451 1.00 0.00 O ATOM 1146 CB PRO A 474 -7.500 -2.312 -25.009 1.00 0.00 C ATOM 1147 CG PRO A 474 -7.024 -3.580 -24.319 1.00 0.00 C ATOM 1148 CD PRO A 474 -5.902 -3.199 -23.366 1.00 0.00 C ATOM 0 HA PRO A 474 -6.579 -0.362 -24.880 1.00 0.00 H new ATOM 0 HB2 PRO A 474 -8.589 -2.261 -25.024 1.00 0.00 H new ATOM 0 HB3 PRO A 474 -7.166 -2.283 -26.046 1.00 0.00 H new ATOM 0 HG2 PRO A 474 -7.844 -4.049 -23.775 1.00 0.00 H new ATOM 0 HG3 PRO A 474 -6.672 -4.305 -25.053 1.00 0.00 H new ATOM 0 HD2 PRO A 474 -6.119 -3.524 -22.348 1.00 0.00 H new ATOM 0 HD3 PRO A 474 -4.961 -3.666 -23.655 1.00 0.00 H new ATOM 1156 N GLU A 475 -8.079 0.815 -23.471 1.00 0.00 N ATOM 1157 CA GLU A 475 -9.013 1.581 -22.662 1.00 0.00 C ATOM 1158 C GLU A 475 -10.452 1.170 -22.981 1.00 0.00 C ATOM 1159 O GLU A 475 -11.309 1.165 -22.099 1.00 0.00 O ATOM 1160 CB GLU A 475 -8.812 3.083 -22.869 1.00 0.00 C ATOM 1161 CG GLU A 475 -10.034 3.870 -22.391 1.00 0.00 C ATOM 1162 CD GLU A 475 -9.613 5.127 -21.627 1.00 0.00 C ATOM 1163 OE1 GLU A 475 -9.017 4.958 -20.541 1.00 0.00 O ATOM 1164 OE2 GLU A 475 -9.896 6.228 -22.146 1.00 0.00 O ATOM 0 H GLU A 475 -7.570 1.360 -24.167 1.00 0.00 H new ATOM 0 HA GLU A 475 -8.819 1.363 -21.612 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -7.927 3.413 -22.326 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -8.633 3.288 -23.925 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -10.649 4.149 -23.247 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -10.649 3.239 -21.749 1.00 0.00 H new ATOM 1171 N ASN A 476 -10.672 0.836 -24.244 1.00 0.00 N ATOM 1172 CA ASN A 476 -11.993 0.425 -24.690 1.00 0.00 C ATOM 1173 C ASN A 476 -12.349 -0.916 -24.046 1.00 0.00 C ATOM 1174 O ASN A 476 -13.489 -1.369 -24.138 1.00 0.00 O ATOM 1175 CB ASN A 476 -12.030 0.246 -26.209 1.00 0.00 C ATOM 1176 CG ASN A 476 -10.845 -0.592 -26.691 1.00 0.00 C ATOM 1177 OD1 ASN A 476 -10.985 -1.898 -26.481 1.00 0.00 O flip ATOM 1178 ND2 ASN A 476 -9.868 -0.087 -27.219 1.00 0.00 N flip ATOM 0 H ASN A 476 -9.958 0.841 -24.973 1.00 0.00 H new ATOM 0 HA ASN A 476 -12.703 1.200 -24.401 1.00 0.00 H new ATOM 0 HB2 ASN A 476 -12.963 -0.237 -26.499 1.00 0.00 H new ATOM 0 HB3 ASN A 476 -12.011 1.222 -26.694 1.00 0.00 H new ATOM 0 HD21 ASN A 476 -9.824 0.924 -27.350 1.00 0.00 H new ATOM 0 HD22 ASN A 476 -9.095 -0.675 -27.529 1.00 0.00 H new ATOM 1185 N PHE A 477 -11.352 -1.515 -23.410 1.00 0.00 N ATOM 1186 CA PHE A 477 -11.546 -2.795 -22.752 1.00 0.00 C ATOM 1187 C PHE A 477 -11.597 -2.629 -21.232 1.00 0.00 C ATOM 1188 O PHE A 477 -11.727 -3.609 -20.501 1.00 0.00 O ATOM 1189 CB PHE A 477 -10.347 -3.672 -23.118 1.00 0.00 C ATOM 1190 CG PHE A 477 -9.866 -4.574 -21.980 1.00 0.00 C ATOM 1191 CD1 PHE A 477 -9.092 -4.061 -20.986 1.00 0.00 C ATOM 1192 CD2 PHE A 477 -10.212 -5.890 -21.962 1.00 0.00 C ATOM 1193 CE1 PHE A 477 -8.646 -4.899 -19.929 1.00 0.00 C ATOM 1194 CE2 PHE A 477 -9.765 -6.727 -20.905 1.00 0.00 C ATOM 1195 CZ PHE A 477 -8.992 -6.214 -19.911 1.00 0.00 C ATOM 0 H PHE A 477 -10.408 -1.137 -23.337 1.00 0.00 H new ATOM 0 HA PHE A 477 -12.488 -3.239 -23.073 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -10.612 -4.294 -23.973 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -9.524 -3.031 -23.433 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.817 -3.017 -21.000 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -10.826 -6.298 -22.751 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -8.032 -4.492 -19.139 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -10.039 -7.771 -20.891 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.653 -6.851 -19.107 1.00 0.00 H new ATOM 1205 N THR A 478 -11.491 -1.380 -20.802 1.00 0.00 N ATOM 1206 CA THR A 478 -11.522 -1.072 -19.382 1.00 0.00 C ATOM 1207 C THR A 478 -12.536 0.038 -19.100 1.00 0.00 C ATOM 1208 O THR A 478 -13.165 0.559 -20.020 1.00 0.00 O ATOM 1209 CB THR A 478 -10.099 -0.723 -18.942 1.00 0.00 C ATOM 1210 OG1 THR A 478 -9.544 -0.046 -20.067 1.00 0.00 O ATOM 1211 CG2 THR A 478 -9.216 -1.962 -18.779 1.00 0.00 C ATOM 0 H THR A 478 -11.384 -0.570 -21.412 1.00 0.00 H new ATOM 0 HA THR A 478 -11.856 -1.930 -18.798 1.00 0.00 H new ATOM 0 HB THR A 478 -10.134 -0.176 -18.000 1.00 0.00 H new ATOM 0 HG1 THR A 478 -9.178 -0.702 -20.696 1.00 0.00 H new ATOM 0 HG21 THR A 478 -8.217 -1.658 -18.466 1.00 0.00 H new ATOM 0 HG22 THR A 478 -9.648 -2.620 -18.025 1.00 0.00 H new ATOM 0 HG23 THR A 478 -9.153 -2.491 -19.730 1.00 0.00 H new ATOM 1219 N GLU A 479 -12.663 0.369 -17.823 1.00 0.00 N ATOM 1220 CA GLU A 479 -13.589 1.409 -17.408 1.00 0.00 C ATOM 1221 C GLU A 479 -12.881 2.421 -16.505 1.00 0.00 C ATOM 1222 O GLU A 479 -11.974 2.062 -15.755 1.00 0.00 O ATOM 1223 CB GLU A 479 -14.809 0.808 -16.707 1.00 0.00 C ATOM 1224 CG GLU A 479 -16.094 1.516 -17.141 1.00 0.00 C ATOM 1225 CD GLU A 479 -17.106 1.567 -15.994 1.00 0.00 C ATOM 1226 OE1 GLU A 479 -16.887 2.393 -15.081 1.00 0.00 O ATOM 1227 OE2 GLU A 479 -18.074 0.780 -16.056 1.00 0.00 O ATOM 0 H GLU A 479 -12.140 -0.065 -17.062 1.00 0.00 H new ATOM 0 HA GLU A 479 -13.942 1.930 -18.298 1.00 0.00 H new ATOM 0 HB2 GLU A 479 -14.879 -0.255 -16.938 1.00 0.00 H new ATOM 0 HB3 GLU A 479 -14.690 0.892 -15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 479 -15.862 2.528 -17.471 1.00 0.00 H new ATOM 0 HG3 GLU A 479 -16.531 0.995 -17.993 1.00 0.00 H new ATOM 1234 N ARG A 480 -13.321 3.667 -16.607 1.00 0.00 N ATOM 1235 CA ARG A 480 -12.740 4.733 -15.809 1.00 0.00 C ATOM 1236 C ARG A 480 -13.389 4.773 -14.424 1.00 0.00 C ATOM 1237 O ARG A 480 -14.612 4.722 -14.306 1.00 0.00 O ATOM 1238 CB ARG A 480 -12.923 6.092 -16.489 1.00 0.00 C ATOM 1239 CG ARG A 480 -12.358 6.073 -17.911 1.00 0.00 C ATOM 1240 CD ARG A 480 -11.741 7.426 -18.273 1.00 0.00 C ATOM 1241 NE ARG A 480 -12.565 8.099 -19.301 1.00 0.00 N ATOM 1242 CZ ARG A 480 -13.754 8.668 -19.057 1.00 0.00 C ATOM 1243 NH1 ARG A 480 -14.264 8.647 -17.818 1.00 0.00 N ATOM 1244 NH2 ARG A 480 -14.432 9.256 -20.051 1.00 0.00 N ATOM 0 H ARG A 480 -14.073 3.962 -17.230 1.00 0.00 H new ATOM 0 HA ARG A 480 -11.674 4.529 -15.709 1.00 0.00 H new ATOM 0 HB2 ARG A 480 -13.982 6.349 -16.518 1.00 0.00 H new ATOM 0 HB3 ARG A 480 -12.423 6.865 -15.905 1.00 0.00 H new ATOM 0 HG2 ARG A 480 -11.604 5.291 -17.996 1.00 0.00 H new ATOM 0 HG3 ARG A 480 -13.151 5.830 -18.618 1.00 0.00 H new ATOM 0 HD2 ARG A 480 -11.671 8.053 -17.384 1.00 0.00 H new ATOM 0 HD3 ARG A 480 -10.726 7.284 -18.644 1.00 0.00 H new ATOM 0 HE ARG A 480 -12.206 8.132 -20.255 1.00 0.00 H new ATOM 0 HH11 ARG A 480 -13.748 8.198 -17.061 1.00 0.00 H new ATOM 0 HH12 ARG A 480 -15.169 9.080 -17.631 1.00 0.00 H new ATOM 0 HH21 ARG A 480 -14.044 9.271 -20.994 1.00 0.00 H new ATOM 0 HH22 ARG A 480 -15.337 9.689 -19.865 1.00 0.00 H new ATOM 1258 N VAL A 481 -12.540 4.863 -13.410 1.00 0.00 N ATOM 1259 CA VAL A 481 -13.015 4.910 -12.038 1.00 0.00 C ATOM 1260 C VAL A 481 -12.946 6.351 -11.528 1.00 0.00 C ATOM 1261 O VAL A 481 -11.978 7.062 -11.796 1.00 0.00 O ATOM 1262 CB VAL A 481 -12.218 3.930 -11.174 1.00 0.00 C ATOM 1263 CG1 VAL A 481 -12.609 4.056 -9.701 1.00 0.00 C ATOM 1264 CG2 VAL A 481 -12.396 2.494 -11.669 1.00 0.00 C ATOM 0 H VAL A 481 -11.526 4.905 -13.512 1.00 0.00 H new ATOM 0 HA VAL A 481 -14.057 4.596 -11.984 1.00 0.00 H new ATOM 0 HB VAL A 481 -11.162 4.186 -11.263 1.00 0.00 H new ATOM 0 HG11 VAL A 481 -12.028 3.349 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 481 -12.407 5.070 -9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 481 -13.671 3.839 -9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 481 -11.819 1.818 -11.038 1.00 0.00 H new ATOM 0 HG22 VAL A 481 -13.451 2.222 -11.624 1.00 0.00 H new ATOM 0 HG23 VAL A 481 -12.045 2.418 -12.698 1.00 0.00 H new