USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 354 THR OG1 : rot 40:sc= -1.28! USER MOD Set 1.2: A 358 ASN : amide:sc= -0.784 K(o=-2.1,f=-3.8) USER MOD Set 2.1: A 340 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.409) USER MOD Set 2.2: A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 315 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 ASN : amide:sc= -2.84! K(o=-2.8!,f=-0.66) USER MOD Single : A 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 MET CE :methyl 152:sc= -4.33! (180deg=-7.37!) USER MOD Single : A 338 SER OG : rot 180:sc= -2! USER MOD Single : A 339 LYS NZ :NH3+ -165:sc= 0.0162 (180deg=0.00265) USER MOD Single : A 351 LYS NZ :NH3+ -150:sc= -0.142 (180deg=-0.961) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 ASN : amide:sc= -0.626 K(o=-0.63,f=-0.041) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.071) USER MOD Single : A 366 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 310 6.551 12.670 -3.343 1.00 0.00 N ATOM 2 CA PHE A 310 5.627 11.598 -2.980 1.00 0.00 C ATOM 3 C PHE A 310 5.971 11.006 -1.615 1.00 0.00 C ATOM 4 O PHE A 310 5.682 11.614 -0.584 1.00 0.00 O ATOM 5 CB PHE A 310 5.592 10.506 -4.055 1.00 0.00 C ATOM 6 CG PHE A 310 5.028 10.948 -5.332 1.00 0.00 C ATOM 7 CD1 PHE A 310 3.670 11.019 -5.494 1.00 0.00 C ATOM 8 CD2 PHE A 310 5.855 11.264 -6.376 1.00 0.00 C ATOM 9 CE1 PHE A 310 3.136 11.407 -6.686 1.00 0.00 C ATOM 10 CE2 PHE A 310 5.336 11.652 -7.576 1.00 0.00 C ATOM 11 CZ PHE A 310 3.966 11.728 -7.743 1.00 0.00 C ATOM 0 HA PHE A 310 4.631 12.035 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 310 6.606 10.143 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 310 5.009 9.663 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 310 3.018 10.766 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 310 6.926 11.206 -6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 310 2.064 11.464 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 310 5.995 11.900 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 310 3.548 12.035 -8.690 1.00 0.00 H new ATOM 21 N ALA A 311 6.574 9.819 -1.601 1.00 0.00 N ATOM 22 CA ALA A 311 6.929 9.174 -0.343 1.00 0.00 C ATOM 23 C ALA A 311 8.276 8.467 -0.428 1.00 0.00 C ATOM 24 O ALA A 311 8.742 8.088 -1.504 1.00 0.00 O ATOM 25 CB ALA A 311 5.847 8.182 0.058 1.00 0.00 C ATOM 0 H ALA A 311 6.824 9.291 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 311 7.011 9.953 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 311 6.121 7.705 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 311 4.899 8.707 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 311 5.744 7.423 -0.717 1.00 0.00 H new ATOM 31 N ARG A 312 8.888 8.276 0.725 1.00 0.00 N ATOM 32 CA ARG A 312 10.166 7.598 0.804 1.00 0.00 C ATOM 33 C ARG A 312 10.040 6.379 1.696 1.00 0.00 C ATOM 34 O ARG A 312 9.058 6.227 2.418 1.00 0.00 O ATOM 35 CB ARG A 312 11.244 8.537 1.344 1.00 0.00 C ATOM 36 CG ARG A 312 12.637 8.221 0.841 1.00 0.00 C ATOM 37 CD ARG A 312 13.688 8.656 1.841 1.00 0.00 C ATOM 38 NE ARG A 312 14.041 10.066 1.691 1.00 0.00 N ATOM 39 CZ ARG A 312 15.274 10.496 1.433 1.00 0.00 C ATOM 40 NH1 ARG A 312 16.269 9.629 1.297 1.00 0.00 N ATOM 41 NH2 ARG A 312 15.512 11.794 1.312 1.00 0.00 N ATOM 0 H ARG A 312 8.517 8.583 1.624 1.00 0.00 H new ATOM 0 HA ARG A 312 10.459 7.284 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 312 10.992 9.561 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 312 11.242 8.490 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 312 12.727 7.150 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 312 12.806 8.724 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 312 13.320 8.481 2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 312 14.581 8.044 1.716 1.00 0.00 H new ATOM 0 HE ARG A 312 13.300 10.760 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 312 16.090 8.629 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 312 17.212 9.962 1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 312 14.750 12.464 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 312 16.457 12.123 1.114 1.00 0.00 H new ATOM 55 N ALA A 313 11.026 5.510 1.644 1.00 0.00 N ATOM 56 CA ALA A 313 11.004 4.303 2.462 1.00 0.00 C ATOM 57 C ALA A 313 11.896 4.460 3.686 1.00 0.00 C ATOM 58 O ALA A 313 13.122 4.450 3.585 1.00 0.00 O ATOM 59 CB ALA A 313 11.436 3.097 1.648 1.00 0.00 C ATOM 0 H ALA A 313 11.850 5.609 1.051 1.00 0.00 H new ATOM 0 HA ALA A 313 9.980 4.145 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 313 11.413 2.207 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 313 10.757 2.964 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 313 12.449 3.253 1.277 1.00 0.00 H new ATOM 65 N LEU A 314 11.258 4.607 4.845 1.00 0.00 N ATOM 66 CA LEU A 314 11.970 4.770 6.103 1.00 0.00 C ATOM 67 C LEU A 314 12.695 3.484 6.469 1.00 0.00 C ATOM 68 O LEU A 314 13.924 3.434 6.500 1.00 0.00 O ATOM 69 CB LEU A 314 10.992 5.151 7.215 1.00 0.00 C ATOM 70 CG LEU A 314 10.838 6.652 7.457 1.00 0.00 C ATOM 71 CD1 LEU A 314 9.509 6.942 8.132 1.00 0.00 C ATOM 72 CD2 LEU A 314 11.993 7.179 8.296 1.00 0.00 C ATOM 0 H LEU A 314 10.242 4.616 4.935 1.00 0.00 H new ATOM 0 HA LEU A 314 12.704 5.567 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 314 10.013 4.735 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 314 11.319 4.681 8.142 1.00 0.00 H new ATOM 0 HG LEU A 314 10.856 7.163 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 314 9.412 8.015 8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 314 8.694 6.599 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 314 9.465 6.421 9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 314 11.866 8.249 8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 314 12.008 6.666 9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 314 12.933 7.000 7.774 1.00 0.00 H new ATOM 84 N TYR A 315 11.916 2.444 6.737 1.00 0.00 N ATOM 85 CA TYR A 315 12.467 1.147 7.092 1.00 0.00 C ATOM 86 C TYR A 315 12.112 0.112 6.031 1.00 0.00 C ATOM 87 O TYR A 315 11.012 0.132 5.478 1.00 0.00 O ATOM 88 CB TYR A 315 11.944 0.700 8.458 1.00 0.00 C ATOM 89 CG TYR A 315 12.328 1.631 9.589 1.00 0.00 C ATOM 90 CD1 TYR A 315 11.610 2.795 9.829 1.00 0.00 C ATOM 91 CD2 TYR A 315 13.409 1.344 10.413 1.00 0.00 C ATOM 92 CE1 TYR A 315 11.959 3.648 10.858 1.00 0.00 C ATOM 93 CE2 TYR A 315 13.763 2.192 11.445 1.00 0.00 C ATOM 94 CZ TYR A 315 13.035 3.342 11.663 1.00 0.00 C ATOM 95 OH TYR A 315 13.384 4.189 12.690 1.00 0.00 O ATOM 0 H TYR A 315 10.897 2.476 6.714 1.00 0.00 H new ATOM 0 HA TYR A 315 13.552 1.237 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 315 10.858 0.624 8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 315 12.325 -0.298 8.675 1.00 0.00 H new ATOM 0 HD1 TYR A 315 10.765 3.037 9.201 1.00 0.00 H new ATOM 0 HD2 TYR A 315 13.982 0.444 10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 315 11.391 4.550 11.031 1.00 0.00 H new ATOM 0 HE2 TYR A 315 14.606 1.955 12.078 1.00 0.00 H new ATOM 0 HH TYR A 315 14.163 3.828 13.162 1.00 0.00 H new ATOM 105 N ASP A 316 13.052 -0.786 5.751 1.00 0.00 N ATOM 106 CA ASP A 316 12.849 -1.834 4.756 1.00 0.00 C ATOM 107 C ASP A 316 11.507 -2.531 4.963 1.00 0.00 C ATOM 108 O ASP A 316 11.341 -3.290 5.918 1.00 0.00 O ATOM 109 CB ASP A 316 13.987 -2.857 4.842 1.00 0.00 C ATOM 110 CG ASP A 316 13.687 -4.143 4.097 1.00 0.00 C ATOM 111 OD1 ASP A 316 13.003 -5.017 4.671 1.00 0.00 O ATOM 112 OD2 ASP A 316 14.138 -4.279 2.941 1.00 0.00 O ATOM 0 H ASP A 316 13.967 -0.808 6.202 1.00 0.00 H new ATOM 0 HA ASP A 316 12.846 -1.375 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 316 14.897 -2.414 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 316 14.182 -3.088 5.889 1.00 0.00 H new ATOM 117 N PHE A 317 10.541 -2.274 4.074 1.00 0.00 N ATOM 118 CA PHE A 317 9.237 -2.892 4.201 1.00 0.00 C ATOM 119 C PHE A 317 9.218 -4.277 3.552 1.00 0.00 C ATOM 120 O PHE A 317 10.140 -4.639 2.822 1.00 0.00 O ATOM 121 CB PHE A 317 8.138 -2.000 3.617 1.00 0.00 C ATOM 122 CG PHE A 317 6.748 -2.477 3.930 1.00 0.00 C ATOM 123 CD1 PHE A 317 6.200 -2.300 5.193 1.00 0.00 C ATOM 124 CD2 PHE A 317 5.994 -3.116 2.961 1.00 0.00 C ATOM 125 CE1 PHE A 317 4.926 -2.752 5.476 1.00 0.00 C ATOM 126 CE2 PHE A 317 4.721 -3.569 3.241 1.00 0.00 C ATOM 127 CZ PHE A 317 4.186 -3.387 4.499 1.00 0.00 C ATOM 0 H PHE A 317 10.644 -1.650 3.274 1.00 0.00 H new ATOM 0 HA PHE A 317 9.035 -3.016 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 317 8.261 -0.987 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 317 8.260 -1.948 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 317 6.775 -1.804 5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 317 6.407 -3.262 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 317 4.509 -2.609 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 317 4.144 -4.066 2.475 1.00 0.00 H new ATOM 0 HZ PHE A 317 3.190 -3.741 4.719 1.00 0.00 H new ATOM 137 N VAL A 318 8.165 -5.047 3.829 1.00 0.00 N ATOM 138 CA VAL A 318 8.020 -6.392 3.288 1.00 0.00 C ATOM 139 C VAL A 318 6.540 -6.751 3.184 1.00 0.00 C ATOM 140 O VAL A 318 5.753 -6.394 4.062 1.00 0.00 O ATOM 141 CB VAL A 318 8.745 -7.431 4.179 1.00 0.00 C ATOM 142 CG1 VAL A 318 8.229 -8.842 3.924 1.00 0.00 C ATOM 143 CG2 VAL A 318 10.249 -7.369 3.959 1.00 0.00 C ATOM 0 H VAL A 318 7.395 -4.755 4.431 1.00 0.00 H new ATOM 0 HA VAL A 318 8.473 -6.411 2.297 1.00 0.00 H new ATOM 0 HB VAL A 318 8.532 -7.180 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 318 8.760 -9.545 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 318 7.162 -8.884 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 318 8.396 -9.107 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 318 10.740 -8.106 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 318 10.473 -7.583 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 318 10.613 -6.373 4.211 1.00 0.00 H new ATOM 153 N PRO A 319 6.135 -7.453 2.107 1.00 0.00 N ATOM 154 CA PRO A 319 4.745 -7.847 1.898 1.00 0.00 C ATOM 155 C PRO A 319 4.037 -8.241 3.189 1.00 0.00 C ATOM 156 O PRO A 319 4.239 -9.341 3.704 1.00 0.00 O ATOM 157 CB PRO A 319 4.872 -9.051 0.972 1.00 0.00 C ATOM 158 CG PRO A 319 6.089 -8.775 0.156 1.00 0.00 C ATOM 159 CD PRO A 319 7.000 -7.914 1.002 1.00 0.00 C ATOM 0 HA PRO A 319 4.146 -7.030 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 319 4.977 -9.977 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 319 3.989 -9.161 0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 319 6.586 -9.704 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.825 -8.264 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 319 7.853 -8.482 1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 319 7.399 -7.075 0.432 1.00 0.00 H new ATOM 167 N GLU A 320 3.200 -7.338 3.704 1.00 0.00 N ATOM 168 CA GLU A 320 2.456 -7.605 4.930 1.00 0.00 C ATOM 169 C GLU A 320 1.748 -8.945 4.811 1.00 0.00 C ATOM 170 O GLU A 320 1.643 -9.698 5.779 1.00 0.00 O ATOM 171 CB GLU A 320 1.443 -6.492 5.208 1.00 0.00 C ATOM 172 CG GLU A 320 0.311 -6.428 4.194 1.00 0.00 C ATOM 173 CD GLU A 320 -1.000 -6.948 4.749 1.00 0.00 C ATOM 174 OE1 GLU A 320 -0.966 -7.895 5.564 1.00 0.00 O ATOM 175 OE2 GLU A 320 -2.060 -6.412 4.367 1.00 0.00 O ATOM 0 H GLU A 320 3.023 -6.422 3.292 1.00 0.00 H new ATOM 0 HA GLU A 320 3.156 -7.638 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 320 1.021 -6.637 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 320 1.963 -5.534 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 320 0.179 -5.397 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 320 0.584 -7.009 3.313 1.00 0.00 H new ATOM 182 N ASN A 321 1.285 -9.241 3.600 1.00 0.00 N ATOM 183 CA ASN A 321 0.612 -10.493 3.320 1.00 0.00 C ATOM 184 C ASN A 321 1.160 -11.077 2.024 1.00 0.00 C ATOM 185 O ASN A 321 1.401 -10.342 1.065 1.00 0.00 O ATOM 186 CB ASN A 321 -0.900 -10.282 3.207 1.00 0.00 C ATOM 187 CG ASN A 321 -1.687 -11.318 3.986 1.00 0.00 C ATOM 188 OD1 ASN A 321 -1.831 -11.218 5.204 1.00 0.00 O ATOM 189 ND2 ASN A 321 -2.201 -12.322 3.285 1.00 0.00 N ATOM 0 H ASN A 321 1.368 -8.621 2.794 1.00 0.00 H new ATOM 0 HA ASN A 321 0.795 -11.187 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 321 -1.154 -9.287 3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 321 -1.192 -10.321 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 321 -2.740 -13.049 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 321 -2.057 -12.366 2.276 1.00 0.00 H new ATOM 196 N PRO A 322 1.378 -12.401 1.971 1.00 0.00 N ATOM 197 CA PRO A 322 1.907 -13.055 0.775 1.00 0.00 C ATOM 198 C PRO A 322 0.856 -13.173 -0.319 1.00 0.00 C ATOM 199 O PRO A 322 0.794 -14.174 -1.035 1.00 0.00 O ATOM 200 CB PRO A 322 2.316 -14.437 1.285 1.00 0.00 C ATOM 201 CG PRO A 322 1.400 -14.698 2.430 1.00 0.00 C ATOM 202 CD PRO A 322 1.132 -13.359 3.067 1.00 0.00 C ATOM 0 HA PRO A 322 2.727 -12.497 0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 322 2.207 -15.195 0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 322 3.359 -14.451 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 322 0.473 -15.160 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 322 1.855 -15.385 3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 322 0.110 -13.289 3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 322 1.793 -13.178 3.914 1.00 0.00 H new ATOM 210 N GLU A 323 0.031 -12.140 -0.443 1.00 0.00 N ATOM 211 CA GLU A 323 -1.019 -12.116 -1.446 1.00 0.00 C ATOM 212 C GLU A 323 -0.986 -10.812 -2.232 1.00 0.00 C ATOM 213 O GLU A 323 -1.199 -10.810 -3.446 1.00 0.00 O ATOM 214 CB GLU A 323 -2.390 -12.302 -0.790 1.00 0.00 C ATOM 215 CG GLU A 323 -2.763 -11.192 0.177 1.00 0.00 C ATOM 216 CD GLU A 323 -3.994 -10.423 -0.265 1.00 0.00 C ATOM 217 OE1 GLU A 323 -4.137 -10.178 -1.481 1.00 0.00 O ATOM 218 OE2 GLU A 323 -4.815 -10.066 0.606 1.00 0.00 O ATOM 0 H GLU A 323 0.072 -11.306 0.143 1.00 0.00 H new ATOM 0 HA GLU A 323 -0.846 -12.940 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 323 -3.150 -12.363 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 323 -2.402 -13.253 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -2.941 -11.619 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 323 -1.924 -10.503 0.275 1.00 0.00 H new ATOM 225 N MET A 324 -0.724 -9.699 -1.544 1.00 0.00 N ATOM 226 CA MET A 324 -0.675 -8.405 -2.215 1.00 0.00 C ATOM 227 C MET A 324 -0.035 -7.313 -1.358 1.00 0.00 C ATOM 228 O MET A 324 -0.686 -6.733 -0.488 1.00 0.00 O ATOM 229 CB MET A 324 -2.092 -7.977 -2.575 1.00 0.00 C ATOM 230 CG MET A 324 -2.153 -6.726 -3.437 1.00 0.00 C ATOM 231 SD MET A 324 -3.775 -5.940 -3.409 1.00 0.00 S ATOM 232 CE MET A 324 -3.919 -5.402 -5.111 1.00 0.00 C ATOM 0 H MET A 324 -0.546 -9.669 -0.540 1.00 0.00 H new ATOM 0 HA MET A 324 -0.057 -8.528 -3.104 1.00 0.00 H new ATOM 0 HB2 MET A 324 -2.586 -8.794 -3.101 1.00 0.00 H new ATOM 0 HB3 MET A 324 -2.654 -7.803 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 324 -1.403 -6.015 -3.091 1.00 0.00 H new ATOM 0 HG3 MET A 324 -1.897 -6.985 -4.464 1.00 0.00 H new ATOM 0 HE1 MET A 324 -4.874 -4.896 -5.253 1.00 0.00 H new ATOM 0 HE2 MET A 324 -3.106 -4.715 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 324 -3.865 -6.267 -5.772 1.00 0.00 H new ATOM 242 N GLU A 325 1.224 -7.002 -1.649 1.00 0.00 N ATOM 243 CA GLU A 325 1.940 -5.938 -0.950 1.00 0.00 C ATOM 244 C GLU A 325 3.247 -5.613 -1.657 1.00 0.00 C ATOM 245 O GLU A 325 3.692 -6.354 -2.533 1.00 0.00 O ATOM 246 CB GLU A 325 2.188 -6.275 0.519 1.00 0.00 C ATOM 247 CG GLU A 325 2.290 -5.043 1.403 1.00 0.00 C ATOM 248 CD GLU A 325 0.942 -4.421 1.710 1.00 0.00 C ATOM 249 OE1 GLU A 325 0.021 -4.550 0.877 1.00 0.00 O ATOM 250 OE2 GLU A 325 0.810 -3.802 2.785 1.00 0.00 O ATOM 0 H GLU A 325 1.773 -7.474 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 325 1.302 -5.055 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 325 1.379 -6.909 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 325 3.109 -6.853 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 325 2.781 -5.313 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 325 2.923 -4.303 0.913 1.00 0.00 H new ATOM 257 N VAL A 326 3.854 -4.495 -1.281 1.00 0.00 N ATOM 258 CA VAL A 326 5.104 -4.064 -1.888 1.00 0.00 C ATOM 259 C VAL A 326 6.294 -4.327 -0.973 1.00 0.00 C ATOM 260 O VAL A 326 6.158 -4.349 0.249 1.00 0.00 O ATOM 261 CB VAL A 326 5.058 -2.565 -2.227 1.00 0.00 C ATOM 262 CG1 VAL A 326 3.899 -2.274 -3.163 1.00 0.00 C ATOM 263 CG2 VAL A 326 4.943 -1.731 -0.959 1.00 0.00 C ATOM 0 H VAL A 326 3.499 -3.870 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 326 5.228 -4.644 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 326 5.987 -2.295 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 326 3.877 -1.209 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 326 4.023 -2.844 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 326 2.963 -2.560 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 326 4.912 -0.673 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 326 4.030 -2.000 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 326 5.805 -1.921 -0.319 1.00 0.00 H new ATOM 273 N ALA A 327 7.460 -4.520 -1.579 1.00 0.00 N ATOM 274 CA ALA A 327 8.685 -4.769 -0.829 1.00 0.00 C ATOM 275 C ALA A 327 9.568 -3.529 -0.839 1.00 0.00 C ATOM 276 O ALA A 327 9.928 -3.023 -1.903 1.00 0.00 O ATOM 277 CB ALA A 327 9.430 -5.962 -1.411 1.00 0.00 C ATOM 0 H ALA A 327 7.583 -4.509 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 327 8.423 -4.999 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 327 10.342 -6.135 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 327 8.796 -6.847 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 327 9.686 -5.759 -2.451 1.00 0.00 H new ATOM 283 N LEU A 328 9.904 -3.031 0.345 1.00 0.00 N ATOM 284 CA LEU A 328 10.730 -1.836 0.454 1.00 0.00 C ATOM 285 C LEU A 328 12.076 -2.129 1.094 1.00 0.00 C ATOM 286 O LEU A 328 12.149 -2.803 2.118 1.00 0.00 O ATOM 287 CB LEU A 328 10.016 -0.771 1.274 1.00 0.00 C ATOM 288 CG LEU A 328 8.778 -0.158 0.615 1.00 0.00 C ATOM 289 CD1 LEU A 328 8.444 1.185 1.244 1.00 0.00 C ATOM 290 CD2 LEU A 328 8.963 -0.010 -0.889 1.00 0.00 C ATOM 0 H LEU A 328 9.619 -3.434 1.238 1.00 0.00 H new ATOM 0 HA LEU A 328 10.902 -1.477 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 328 9.721 -1.208 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 328 10.723 0.029 1.495 1.00 0.00 H new ATOM 0 HG LEU A 328 7.944 -0.839 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 328 7.561 1.603 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 328 8.246 1.050 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 328 9.285 1.866 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 328 8.065 0.428 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 328 9.817 0.638 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 328 9.140 -0.990 -1.332 1.00 0.00 H new ATOM 302 N LYS A 329 13.129 -1.586 0.498 1.00 0.00 N ATOM 303 CA LYS A 329 14.480 -1.750 1.013 1.00 0.00 C ATOM 304 C LYS A 329 14.939 -0.444 1.655 1.00 0.00 C ATOM 305 O LYS A 329 15.093 0.559 0.964 1.00 0.00 O ATOM 306 CB LYS A 329 15.433 -2.153 -0.115 1.00 0.00 C ATOM 307 CG LYS A 329 14.992 -1.672 -1.489 1.00 0.00 C ATOM 308 CD LYS A 329 16.179 -1.282 -2.353 1.00 0.00 C ATOM 309 CE LYS A 329 15.752 -0.962 -3.776 1.00 0.00 C ATOM 310 NZ LYS A 329 16.797 -0.196 -4.509 1.00 0.00 N ATOM 0 H LYS A 329 13.071 -1.023 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 329 14.486 -2.540 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 329 16.424 -1.754 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 329 15.523 -3.239 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 329 14.423 -2.458 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 329 14.325 -0.817 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 329 16.678 -0.416 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 329 16.905 -2.095 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 329 15.540 -1.889 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 329 14.826 -0.387 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 16.468 0.003 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 16.981 0.700 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 17.673 -0.755 -4.550 1.00 0.00 H new ATOM 324 N LYS A 330 15.129 -0.468 2.980 1.00 0.00 N ATOM 325 CA LYS A 330 15.542 0.715 3.745 1.00 0.00 C ATOM 326 C LYS A 330 16.248 1.746 2.872 1.00 0.00 C ATOM 327 O LYS A 330 17.328 1.493 2.337 1.00 0.00 O ATOM 328 CB LYS A 330 16.446 0.314 4.910 1.00 0.00 C ATOM 329 CG LYS A 330 16.487 1.343 6.023 1.00 0.00 C ATOM 330 CD LYS A 330 16.409 0.693 7.395 1.00 0.00 C ATOM 331 CE LYS A 330 16.545 1.721 8.507 1.00 0.00 C ATOM 332 NZ LYS A 330 17.796 1.529 9.292 1.00 0.00 N ATOM 0 H LYS A 330 15.001 -1.304 3.550 1.00 0.00 H new ATOM 0 HA LYS A 330 14.634 1.175 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 330 16.101 -0.637 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 330 17.457 0.153 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 330 17.406 1.924 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 330 15.658 2.041 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 330 15.459 0.169 7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 330 17.197 -0.054 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 330 16.536 2.723 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 330 15.685 1.652 9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 17.851 2.250 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 17.794 0.582 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 18.619 1.621 8.662 1.00 0.00 H new ATOM 346 N GLY A 331 15.620 2.908 2.728 1.00 0.00 N ATOM 347 CA GLY A 331 16.182 3.966 1.912 1.00 0.00 C ATOM 348 C GLY A 331 15.447 4.112 0.596 1.00 0.00 C ATOM 349 O GLY A 331 15.605 5.110 -0.106 1.00 0.00 O ATOM 0 H GLY A 331 14.727 3.136 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 331 16.139 4.908 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 331 17.234 3.757 1.719 1.00 0.00 H new ATOM 353 N ASP A 332 14.641 3.105 0.265 1.00 0.00 N ATOM 354 CA ASP A 332 13.878 3.090 -0.945 1.00 0.00 C ATOM 355 C ASP A 332 12.986 4.332 -1.027 1.00 0.00 C ATOM 356 O ASP A 332 12.959 5.131 -0.097 1.00 0.00 O ATOM 357 CB ASP A 332 13.070 1.785 -1.009 1.00 0.00 C ATOM 358 CG ASP A 332 12.590 1.447 -2.406 1.00 0.00 C ATOM 359 OD1 ASP A 332 13.000 2.137 -3.363 1.00 0.00 O ATOM 360 OD2 ASP A 332 11.811 0.481 -2.544 1.00 0.00 O ATOM 0 H ASP A 332 14.510 2.277 0.846 1.00 0.00 H new ATOM 0 HA ASP A 332 14.541 3.122 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 332 13.685 0.966 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 332 12.209 1.866 -0.346 1.00 0.00 H new ATOM 365 N LEU A 333 12.270 4.506 -2.133 1.00 0.00 N ATOM 366 CA LEU A 333 11.393 5.667 -2.299 1.00 0.00 C ATOM 367 C LEU A 333 10.138 5.264 -3.077 1.00 0.00 C ATOM 368 O LEU A 333 10.242 4.738 -4.183 1.00 0.00 O ATOM 369 CB LEU A 333 12.125 6.783 -3.045 1.00 0.00 C ATOM 370 CG LEU A 333 13.367 7.315 -2.338 1.00 0.00 C ATOM 371 CD1 LEU A 333 14.613 6.599 -2.836 1.00 0.00 C ATOM 372 CD2 LEU A 333 13.496 8.818 -2.539 1.00 0.00 C ATOM 0 H LEU A 333 12.277 3.864 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 333 11.105 6.031 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 333 12.414 6.415 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 333 11.433 7.610 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 333 13.263 7.121 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 333 15.489 6.992 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 333 14.523 5.531 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 333 14.721 6.760 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 333 14.388 9.178 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 333 13.575 9.037 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 333 12.617 9.316 -2.130 1.00 0.00 H new ATOM 384 N MET A 334 8.956 5.476 -2.494 1.00 0.00 N ATOM 385 CA MET A 334 7.706 5.078 -3.150 1.00 0.00 C ATOM 386 C MET A 334 6.674 6.208 -3.186 1.00 0.00 C ATOM 387 O MET A 334 6.808 7.207 -2.491 1.00 0.00 O ATOM 388 CB MET A 334 7.145 3.848 -2.443 1.00 0.00 C ATOM 389 CG MET A 334 7.706 2.543 -2.975 1.00 0.00 C ATOM 390 SD MET A 334 9.491 2.402 -2.781 1.00 0.00 S ATOM 391 CE MET A 334 9.965 1.817 -4.405 1.00 0.00 C ATOM 0 H MET A 334 8.837 5.915 -1.581 1.00 0.00 H new ATOM 0 HA MET A 334 7.928 4.840 -4.190 1.00 0.00 H new ATOM 0 HB2 MET A 334 7.360 3.920 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 334 6.060 3.839 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 334 7.225 1.712 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 334 7.454 2.451 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 334 10.983 2.139 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 334 9.916 0.728 -4.428 1.00 0.00 H new ATOM 0 HE3 MET A 334 9.285 2.227 -5.152 1.00 0.00 H new ATOM 401 N ALA A 335 5.639 6.047 -4.010 1.00 0.00 N ATOM 402 CA ALA A 335 4.595 7.065 -4.126 1.00 0.00 C ATOM 403 C ALA A 335 3.343 6.628 -3.377 1.00 0.00 C ATOM 404 O ALA A 335 2.897 5.497 -3.525 1.00 0.00 O ATOM 405 CB ALA A 335 4.275 7.334 -5.589 1.00 0.00 C ATOM 0 H ALA A 335 5.501 5.228 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 335 4.960 7.989 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.496 8.094 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 335 5.172 7.686 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.927 6.415 -6.060 1.00 0.00 H new ATOM 411 N ILE A 336 2.779 7.516 -2.565 1.00 0.00 N ATOM 412 CA ILE A 336 1.595 7.170 -1.783 1.00 0.00 C ATOM 413 C ILE A 336 0.325 7.693 -2.431 1.00 0.00 C ATOM 414 O ILE A 336 0.325 8.735 -3.087 1.00 0.00 O ATOM 415 CB ILE A 336 1.687 7.718 -0.345 1.00 0.00 C ATOM 416 CG1 ILE A 336 2.152 9.176 -0.358 1.00 0.00 C ATOM 417 CG2 ILE A 336 2.625 6.858 0.488 1.00 0.00 C ATOM 418 CD1 ILE A 336 2.187 9.816 1.014 1.00 0.00 C ATOM 0 H ILE A 336 3.116 8.469 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 336 1.555 6.081 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 336 0.696 7.681 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 336 3.148 9.227 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 336 1.489 9.754 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 336 2.681 7.256 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 336 2.249 5.835 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 336 3.619 6.865 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 336 2.526 10.848 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 336 1.188 9.798 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 336 2.872 9.263 1.656 1.00 0.00 H new ATOM 430 N LEU A 337 -0.750 6.930 -2.268 1.00 0.00 N ATOM 431 CA LEU A 337 -2.030 7.277 -2.863 1.00 0.00 C ATOM 432 C LEU A 337 -3.179 7.191 -1.855 1.00 0.00 C ATOM 433 O LEU A 337 -4.043 8.067 -1.817 1.00 0.00 O ATOM 434 CB LEU A 337 -2.296 6.341 -4.039 1.00 0.00 C ATOM 435 CG LEU A 337 -1.584 6.720 -5.338 1.00 0.00 C ATOM 436 CD1 LEU A 337 -0.662 5.597 -5.790 1.00 0.00 C ATOM 437 CD2 LEU A 337 -2.598 7.052 -6.422 1.00 0.00 C ATOM 0 H LEU A 337 -0.758 6.065 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.980 8.312 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -1.994 5.332 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -3.370 6.312 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 337 -0.976 7.606 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -0.164 5.885 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 337 0.086 5.408 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -1.246 4.692 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 337 -2.075 7.320 -7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 337 -3.232 6.184 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -3.215 7.890 -6.099 1.00 0.00 H new ATOM 449 N SER A 338 -3.194 6.128 -1.054 1.00 0.00 N ATOM 450 CA SER A 338 -4.256 5.932 -0.066 1.00 0.00 C ATOM 451 C SER A 338 -4.016 6.758 1.193 1.00 0.00 C ATOM 452 O SER A 338 -2.960 7.368 1.361 1.00 0.00 O ATOM 453 CB SER A 338 -4.373 4.454 0.303 1.00 0.00 C ATOM 454 OG SER A 338 -5.704 4.118 0.652 1.00 0.00 O ATOM 0 H SER A 338 -2.488 5.392 -1.068 1.00 0.00 H new ATOM 0 HA SER A 338 -5.188 6.269 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 338 -4.048 3.840 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 338 -3.708 4.231 1.137 1.00 0.00 H new ATOM 0 HG SER A 338 -5.752 3.167 0.882 1.00 0.00 H new ATOM 460 N LYS A 339 -5.015 6.770 2.074 1.00 0.00 N ATOM 461 CA LYS A 339 -4.945 7.512 3.324 1.00 0.00 C ATOM 462 C LYS A 339 -5.432 6.605 4.439 1.00 0.00 C ATOM 463 O LYS A 339 -4.868 5.530 4.638 1.00 0.00 O ATOM 464 CB LYS A 339 -5.829 8.737 3.196 1.00 0.00 C ATOM 465 CG LYS A 339 -5.126 9.932 2.575 1.00 0.00 C ATOM 466 CD LYS A 339 -5.014 9.786 1.065 1.00 0.00 C ATOM 467 CE LYS A 339 -4.542 11.076 0.417 1.00 0.00 C ATOM 468 NZ LYS A 339 -4.957 11.164 -1.011 1.00 0.00 N ATOM 0 H LYS A 339 -5.892 6.266 1.939 1.00 0.00 H new ATOM 0 HA LYS A 339 -3.927 7.832 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 339 -6.700 8.484 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 339 -6.196 9.015 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 339 -5.674 10.843 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 339 -4.131 10.036 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 339 -4.318 8.981 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 339 -5.982 9.503 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 339 -4.946 11.927 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 339 -3.456 11.140 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 -4.415 11.915 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 -4.774 10.255 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 -5.972 11.384 -1.065 1.00 0.00 H new ATOM 482 N LYS A 340 -6.526 6.976 5.111 1.00 0.00 N ATOM 483 CA LYS A 340 -7.088 6.090 6.118 1.00 0.00 C ATOM 484 C LYS A 340 -7.337 4.772 5.403 1.00 0.00 C ATOM 485 O LYS A 340 -7.361 3.698 6.005 1.00 0.00 O ATOM 486 CB LYS A 340 -8.401 6.648 6.675 1.00 0.00 C ATOM 487 CG LYS A 340 -8.601 6.409 8.166 1.00 0.00 C ATOM 488 CD LYS A 340 -8.404 4.946 8.541 1.00 0.00 C ATOM 489 CE LYS A 340 -9.531 4.444 9.429 1.00 0.00 C ATOM 490 NZ LYS A 340 -9.413 4.957 10.822 1.00 0.00 N ATOM 0 H LYS A 340 -7.023 7.857 4.978 1.00 0.00 H new ATOM 0 HA LYS A 340 -6.414 5.977 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 340 -8.437 7.720 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 340 -9.233 6.199 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 340 -7.900 7.025 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 340 -9.604 6.725 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 340 -8.355 4.340 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 340 -7.451 4.826 9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 340 -10.488 4.752 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 340 -9.525 3.354 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 340 -10.340 4.904 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 340 -8.725 4.380 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 340 -9.092 5.946 10.802 1.00 0.00 H new ATOM 504 N ASP A 341 -7.478 4.927 4.073 1.00 0.00 N ATOM 505 CA ASP A 341 -7.686 3.856 3.100 1.00 0.00 C ATOM 506 C ASP A 341 -9.110 3.874 2.525 1.00 0.00 C ATOM 507 O ASP A 341 -9.278 3.999 1.312 1.00 0.00 O ATOM 508 CB ASP A 341 -7.345 2.469 3.660 1.00 0.00 C ATOM 509 CG ASP A 341 -7.475 1.377 2.616 1.00 0.00 C ATOM 510 OD1 ASP A 341 -6.493 1.137 1.883 1.00 0.00 O ATOM 511 OD2 ASP A 341 -8.559 0.762 2.532 1.00 0.00 O ATOM 0 H ASP A 341 -7.447 5.848 3.635 1.00 0.00 H new ATOM 0 HA ASP A 341 -6.988 4.054 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -6.327 2.477 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -8.004 2.246 4.499 1.00 0.00 H new ATOM 516 N PRO A 342 -10.163 3.749 3.365 1.00 0.00 N ATOM 517 CA PRO A 342 -11.545 3.757 2.898 1.00 0.00 C ATOM 518 C PRO A 342 -12.102 5.172 2.759 1.00 0.00 C ATOM 519 O PRO A 342 -12.296 5.667 1.649 1.00 0.00 O ATOM 520 CB PRO A 342 -12.306 2.988 3.989 1.00 0.00 C ATOM 521 CG PRO A 342 -11.325 2.741 5.098 1.00 0.00 C ATOM 522 CD PRO A 342 -10.117 3.592 4.820 1.00 0.00 C ATOM 0 HA PRO A 342 -11.637 3.313 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -13.159 3.564 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -12.697 2.048 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -11.762 2.997 6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -11.051 1.687 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -10.171 4.552 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -9.197 3.108 5.146 1.00 0.00 H new ATOM 530 N LEU A 343 -12.356 5.815 3.895 1.00 0.00 N ATOM 531 CA LEU A 343 -12.892 7.172 3.906 1.00 0.00 C ATOM 532 C LEU A 343 -11.769 8.203 3.937 1.00 0.00 C ATOM 533 O LEU A 343 -11.523 8.900 2.952 1.00 0.00 O ATOM 534 CB LEU A 343 -13.810 7.368 5.115 1.00 0.00 C ATOM 535 CG LEU A 343 -14.632 8.658 5.101 1.00 0.00 C ATOM 536 CD1 LEU A 343 -15.980 8.423 4.439 1.00 0.00 C ATOM 537 CD2 LEU A 343 -14.815 9.186 6.516 1.00 0.00 C ATOM 0 H LEU A 343 -12.199 5.417 4.821 1.00 0.00 H new ATOM 0 HA LEU A 343 -13.467 7.315 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -14.493 6.521 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -13.202 7.352 6.020 1.00 0.00 H new ATOM 0 HG LEU A 343 -14.092 9.407 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -16.552 9.351 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -15.828 8.089 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -16.528 7.660 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -15.402 10.104 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -15.335 8.441 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -13.839 9.392 6.957 1.00 0.00 H new ATOM 549 N GLY A 344 -11.093 8.297 5.078 1.00 0.00 N ATOM 550 CA GLY A 344 -10.005 9.246 5.226 1.00 0.00 C ATOM 551 C GLY A 344 -9.894 9.773 6.642 1.00 0.00 C ATOM 552 O GLY A 344 -9.566 10.940 6.857 1.00 0.00 O ATOM 0 H GLY A 344 -11.280 7.731 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 344 -9.067 8.768 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 344 -10.157 10.080 4.541 1.00 0.00 H new ATOM 556 N ARG A 345 -10.179 8.908 7.611 1.00 0.00 N ATOM 557 CA ARG A 345 -10.122 9.282 9.018 1.00 0.00 C ATOM 558 C ARG A 345 -8.679 9.317 9.530 1.00 0.00 C ATOM 559 O ARG A 345 -7.824 9.979 8.940 1.00 0.00 O ATOM 560 CB ARG A 345 -10.970 8.318 9.850 1.00 0.00 C ATOM 561 CG ARG A 345 -11.962 9.021 10.762 1.00 0.00 C ATOM 562 CD ARG A 345 -13.243 8.220 10.915 1.00 0.00 C ATOM 563 NE ARG A 345 -13.520 7.887 12.310 1.00 0.00 N ATOM 564 CZ ARG A 345 -14.259 6.848 12.689 1.00 0.00 C ATOM 565 NH1 ARG A 345 -14.792 6.042 11.781 1.00 0.00 N ATOM 566 NH2 ARG A 345 -14.465 6.615 13.978 1.00 0.00 N ATOM 0 H ARG A 345 -10.453 7.940 7.445 1.00 0.00 H new ATOM 0 HA ARG A 345 -10.528 10.288 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 345 -11.513 7.652 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 345 -10.311 7.694 10.454 1.00 0.00 H new ATOM 0 HG2 ARG A 345 -11.510 9.177 11.742 1.00 0.00 H new ATOM 0 HG3 ARG A 345 -12.194 10.006 10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 345 -14.077 8.790 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 345 -13.168 7.302 10.332 1.00 0.00 H new ATOM 0 HE ARG A 345 -13.124 8.485 13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 345 -14.636 6.218 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 345 -15.358 5.246 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 345 -14.057 7.233 14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 345 -15.032 5.818 14.268 1.00 0.00 H new ATOM 580 N ASP A 346 -8.417 8.632 10.646 1.00 0.00 N ATOM 581 CA ASP A 346 -7.088 8.624 11.243 1.00 0.00 C ATOM 582 C ASP A 346 -6.298 7.349 10.922 1.00 0.00 C ATOM 583 O ASP A 346 -6.341 6.848 9.801 1.00 0.00 O ATOM 584 CB ASP A 346 -7.224 8.806 12.752 1.00 0.00 C ATOM 585 CG ASP A 346 -6.277 9.857 13.301 1.00 0.00 C ATOM 586 OD1 ASP A 346 -5.375 10.292 12.553 1.00 0.00 O ATOM 587 OD2 ASP A 346 -6.436 10.242 14.477 1.00 0.00 O ATOM 0 H ASP A 346 -9.109 8.078 11.150 1.00 0.00 H new ATOM 0 HA ASP A 346 -6.521 9.448 10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 346 -8.250 9.087 12.989 1.00 0.00 H new ATOM 0 HB3 ASP A 346 -7.032 7.855 13.248 1.00 0.00 H new ATOM 592 N SER A 347 -5.549 6.856 11.910 1.00 0.00 N ATOM 593 CA SER A 347 -4.717 5.665 11.744 1.00 0.00 C ATOM 594 C SER A 347 -3.596 5.934 10.751 1.00 0.00 C ATOM 595 O SER A 347 -3.744 6.751 9.841 1.00 0.00 O ATOM 596 CB SER A 347 -5.543 4.468 11.275 1.00 0.00 C ATOM 597 OG SER A 347 -6.381 3.984 12.311 1.00 0.00 O ATOM 0 H SER A 347 -5.503 7.269 12.842 1.00 0.00 H new ATOM 0 HA SER A 347 -4.288 5.426 12.717 1.00 0.00 H new ATOM 0 HB2 SER A 347 -6.151 4.756 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 347 -4.877 3.672 10.941 1.00 0.00 H new ATOM 0 HG SER A 347 -6.899 3.220 11.983 1.00 0.00 H new ATOM 603 N ASP A 348 -2.470 5.254 10.926 1.00 0.00 N ATOM 604 CA ASP A 348 -1.341 5.447 10.035 1.00 0.00 C ATOM 605 C ASP A 348 -1.117 4.219 9.158 1.00 0.00 C ATOM 606 O ASP A 348 -0.452 3.260 9.555 1.00 0.00 O ATOM 607 CB ASP A 348 -0.122 5.717 10.882 1.00 0.00 C ATOM 608 CG ASP A 348 -0.299 6.920 11.786 1.00 0.00 C ATOM 609 OD1 ASP A 348 -0.773 7.967 11.296 1.00 0.00 O ATOM 610 OD2 ASP A 348 0.036 6.817 12.985 1.00 0.00 O ATOM 0 H ASP A 348 -2.318 4.572 11.669 1.00 0.00 H new ATOM 0 HA ASP A 348 -1.537 6.288 9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 348 0.096 4.839 11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 348 0.739 5.878 10.233 1.00 0.00 H new ATOM 615 N TRP A 349 -1.654 4.275 7.947 1.00 0.00 N ATOM 616 CA TRP A 349 -1.533 3.180 6.993 1.00 0.00 C ATOM 617 C TRP A 349 -1.828 3.680 5.587 1.00 0.00 C ATOM 618 O TRP A 349 -2.955 4.066 5.290 1.00 0.00 O ATOM 619 CB TRP A 349 -2.532 2.076 7.351 1.00 0.00 C ATOM 620 CG TRP A 349 -1.905 0.817 7.861 1.00 0.00 C ATOM 621 CD1 TRP A 349 -1.986 0.320 9.130 1.00 0.00 C ATOM 622 CD2 TRP A 349 -1.114 -0.111 7.114 1.00 0.00 C ATOM 623 NE1 TRP A 349 -1.292 -0.862 9.218 1.00 0.00 N ATOM 624 CE2 TRP A 349 -0.746 -1.148 7.994 1.00 0.00 C ATOM 625 CE3 TRP A 349 -0.679 -0.168 5.788 1.00 0.00 C ATOM 626 CZ2 TRP A 349 0.035 -2.227 7.587 1.00 0.00 C ATOM 627 CZ3 TRP A 349 0.094 -1.235 5.389 1.00 0.00 C ATOM 628 CH2 TRP A 349 0.446 -2.254 6.284 1.00 0.00 C ATOM 0 H TRP A 349 -2.183 5.075 7.599 1.00 0.00 H new ATOM 0 HA TRP A 349 -0.517 2.787 7.032 1.00 0.00 H new ATOM 0 HB2 TRP A 349 -3.220 2.456 8.106 1.00 0.00 H new ATOM 0 HB3 TRP A 349 -3.126 1.840 6.468 1.00 0.00 H new ATOM 0 HD1 TRP A 349 -2.518 0.788 9.945 1.00 0.00 H new ATOM 0 HE1 TRP A 349 -1.198 -1.434 10.057 1.00 0.00 H new ATOM 0 HE3 TRP A 349 -0.944 0.611 5.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 349 0.306 -3.013 8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 349 0.436 -1.288 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 349 1.054 -3.077 5.937 1.00 0.00 H new ATOM 639 N TRP A 350 -0.821 3.682 4.726 1.00 0.00 N ATOM 640 CA TRP A 350 -1.013 4.155 3.363 1.00 0.00 C ATOM 641 C TRP A 350 -0.637 3.106 2.333 1.00 0.00 C ATOM 642 O TRP A 350 0.031 2.124 2.629 1.00 0.00 O ATOM 643 CB TRP A 350 -0.192 5.414 3.107 1.00 0.00 C ATOM 644 CG TRP A 350 -0.573 6.578 3.971 1.00 0.00 C ATOM 645 CD1 TRP A 350 -1.797 6.838 4.522 1.00 0.00 C ATOM 646 CD2 TRP A 350 0.283 7.648 4.374 1.00 0.00 C ATOM 647 NE1 TRP A 350 -1.748 8.006 5.245 1.00 0.00 N ATOM 648 CE2 TRP A 350 -0.481 8.522 5.168 1.00 0.00 C ATOM 649 CE3 TRP A 350 1.625 7.948 4.139 1.00 0.00 C ATOM 650 CZ2 TRP A 350 0.057 9.678 5.729 1.00 0.00 C ATOM 651 CZ3 TRP A 350 2.157 9.092 4.694 1.00 0.00 C ATOM 652 CH2 TRP A 350 1.375 9.947 5.480 1.00 0.00 C ATOM 0 H TRP A 350 0.125 3.366 4.942 1.00 0.00 H new ATOM 0 HA TRP A 350 -2.075 4.375 3.259 1.00 0.00 H new ATOM 0 HB2 TRP A 350 0.862 5.186 3.266 1.00 0.00 H new ATOM 0 HB3 TRP A 350 -0.302 5.700 2.061 1.00 0.00 H new ATOM 0 HD1 TRP A 350 -2.673 6.217 4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 350 -2.528 8.421 5.755 1.00 0.00 H new ATOM 0 HE3 TRP A 350 2.236 7.296 3.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 350 -0.544 10.337 6.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 350 3.195 9.333 4.520 1.00 0.00 H new ATOM 0 HH2 TRP A 350 1.821 10.837 5.898 1.00 0.00 H new ATOM 663 N LYS A 351 -1.063 3.365 1.112 1.00 0.00 N ATOM 664 CA LYS A 351 -0.787 2.512 -0.018 1.00 0.00 C ATOM 665 C LYS A 351 0.290 3.173 -0.856 1.00 0.00 C ATOM 666 O LYS A 351 0.342 4.402 -0.945 1.00 0.00 O ATOM 667 CB LYS A 351 -2.071 2.309 -0.823 1.00 0.00 C ATOM 668 CG LYS A 351 -2.241 3.268 -1.996 1.00 0.00 C ATOM 669 CD LYS A 351 -1.705 2.676 -3.291 1.00 0.00 C ATOM 670 CE LYS A 351 -2.827 2.360 -4.266 1.00 0.00 C ATOM 671 NZ LYS A 351 -3.960 1.655 -3.604 1.00 0.00 N ATOM 0 H LYS A 351 -1.619 4.188 0.878 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.436 1.532 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -2.090 1.287 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -2.925 2.418 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -3.297 3.511 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.721 4.202 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.008 3.376 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.145 1.767 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.188 3.285 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.440 1.743 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.430 1.031 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.600 1.087 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.643 2.354 -3.248 1.00 0.00 H new ATOM 685 N VAL A 352 1.170 2.382 -1.439 1.00 0.00 N ATOM 686 CA VAL A 352 2.249 2.953 -2.219 1.00 0.00 C ATOM 687 C VAL A 352 2.482 2.220 -3.537 1.00 0.00 C ATOM 688 O VAL A 352 2.436 0.991 -3.608 1.00 0.00 O ATOM 689 CB VAL A 352 3.560 2.971 -1.394 1.00 0.00 C ATOM 690 CG1 VAL A 352 4.523 1.891 -1.857 1.00 0.00 C ATOM 691 CG2 VAL A 352 4.208 4.341 -1.429 1.00 0.00 C ATOM 0 H VAL A 352 1.161 1.363 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 352 1.949 3.972 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 352 3.301 2.753 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 352 5.432 1.932 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 352 4.056 0.913 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 352 4.773 2.052 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 352 5.126 4.324 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 352 4.442 4.607 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 352 3.523 5.078 -1.010 1.00 0.00 H new ATOM 701 N ARG A 353 2.771 3.006 -4.565 1.00 0.00 N ATOM 702 CA ARG A 353 3.070 2.488 -5.883 1.00 0.00 C ATOM 703 C ARG A 353 4.571 2.606 -6.114 1.00 0.00 C ATOM 704 O ARG A 353 5.139 3.697 -6.014 1.00 0.00 O ATOM 705 CB ARG A 353 2.300 3.259 -6.944 1.00 0.00 C ATOM 706 CG ARG A 353 2.012 2.461 -8.200 1.00 0.00 C ATOM 707 CD ARG A 353 0.816 3.023 -8.948 1.00 0.00 C ATOM 708 NE ARG A 353 1.176 3.494 -10.282 1.00 0.00 N ATOM 709 CZ ARG A 353 0.489 3.197 -11.382 1.00 0.00 C ATOM 710 NH1 ARG A 353 -0.591 2.430 -11.306 1.00 0.00 N ATOM 711 NH2 ARG A 353 0.882 3.666 -12.558 1.00 0.00 N ATOM 0 H ARG A 353 2.803 4.024 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 353 2.768 1.443 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 353 1.356 3.599 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 353 2.867 4.150 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 353 2.888 2.472 -8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 353 1.823 1.420 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 353 0.047 2.255 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 353 0.386 3.846 -8.377 1.00 0.00 H new ATOM 0 HE ARG A 353 2.002 4.085 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 353 -0.896 2.067 -10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 353 -1.116 2.204 -12.151 1.00 0.00 H new ATOM 0 HH21 ARG A 353 1.712 4.255 -12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 353 0.354 3.437 -13.400 1.00 0.00 H new ATOM 725 N THR A 354 5.216 1.480 -6.381 1.00 0.00 N ATOM 726 CA THR A 354 6.659 1.459 -6.582 1.00 0.00 C ATOM 727 C THR A 354 7.019 1.307 -8.056 1.00 0.00 C ATOM 728 O THR A 354 6.766 0.267 -8.665 1.00 0.00 O ATOM 729 CB THR A 354 7.316 0.324 -5.769 1.00 0.00 C ATOM 730 OG1 THR A 354 7.383 -0.875 -6.548 1.00 0.00 O ATOM 731 CG2 THR A 354 6.543 0.056 -4.483 1.00 0.00 C ATOM 0 H THR A 354 4.764 0.569 -6.464 1.00 0.00 H new ATOM 0 HA THR A 354 7.042 2.417 -6.230 1.00 0.00 H new ATOM 0 HB THR A 354 8.326 0.641 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 354 7.626 -0.652 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 354 7.027 -0.748 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 354 6.527 0.959 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 354 5.521 -0.235 -4.727 1.00 0.00 H new ATOM 739 N LYS A 355 7.621 2.357 -8.616 1.00 0.00 N ATOM 740 CA LYS A 355 8.032 2.361 -10.018 1.00 0.00 C ATOM 741 C LYS A 355 6.910 1.870 -10.927 1.00 0.00 C ATOM 742 O LYS A 355 7.163 1.239 -11.954 1.00 0.00 O ATOM 743 CB LYS A 355 9.271 1.491 -10.194 1.00 0.00 C ATOM 744 CG LYS A 355 10.313 1.726 -9.118 1.00 0.00 C ATOM 745 CD LYS A 355 10.985 0.429 -8.697 1.00 0.00 C ATOM 746 CE LYS A 355 12.499 0.560 -8.704 1.00 0.00 C ATOM 747 NZ LYS A 355 13.171 -0.769 -8.688 1.00 0.00 N ATOM 0 H LYS A 355 7.835 3.220 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 355 8.266 3.387 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 355 8.976 0.442 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 355 9.713 1.690 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 355 11.065 2.424 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 355 9.843 2.191 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 355 10.647 0.150 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 355 10.685 -0.373 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 355 12.811 1.114 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 355 12.817 1.138 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 14.203 -0.637 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 12.893 -1.288 -7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 12.887 -1.312 -9.529 1.00 0.00 H new ATOM 761 N ASN A 356 5.671 2.158 -10.536 1.00 0.00 N ATOM 762 CA ASN A 356 4.507 1.738 -11.311 1.00 0.00 C ATOM 763 C ASN A 356 4.559 0.237 -11.574 1.00 0.00 C ATOM 764 O ASN A 356 4.190 -0.232 -12.652 1.00 0.00 O ATOM 765 CB ASN A 356 4.437 2.507 -12.632 1.00 0.00 C ATOM 766 CG ASN A 356 4.891 3.947 -12.490 1.00 0.00 C ATOM 767 OD1 ASN A 356 5.741 4.418 -13.245 1.00 0.00 O ATOM 768 ND2 ASN A 356 4.323 4.652 -11.519 1.00 0.00 N ATOM 0 H ASN A 356 5.448 2.680 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 356 3.609 1.960 -10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 356 5.058 2.005 -13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 356 3.414 2.487 -13.006 1.00 0.00 H new ATOM 0 HD21 ASN A 356 4.587 5.627 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 356 3.622 4.219 -10.917 1.00 0.00 H new ATOM 775 N GLY A 357 5.025 -0.506 -10.577 1.00 0.00 N ATOM 776 CA GLY A 357 5.129 -1.947 -10.698 1.00 0.00 C ATOM 777 C GLY A 357 4.564 -2.666 -9.491 1.00 0.00 C ATOM 778 O GLY A 357 3.764 -3.591 -9.631 1.00 0.00 O ATOM 0 H GLY A 357 5.335 -0.132 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 357 4.600 -2.274 -11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 357 6.175 -2.224 -10.827 1.00 0.00 H new ATOM 782 N ASN A 358 4.970 -2.236 -8.297 1.00 0.00 N ATOM 783 CA ASN A 358 4.483 -2.846 -7.065 1.00 0.00 C ATOM 784 C ASN A 358 3.558 -1.891 -6.331 1.00 0.00 C ATOM 785 O ASN A 358 4.006 -0.902 -5.758 1.00 0.00 O ATOM 786 CB ASN A 358 5.644 -3.234 -6.147 1.00 0.00 C ATOM 787 CG ASN A 358 6.857 -3.732 -6.911 1.00 0.00 C ATOM 788 OD1 ASN A 358 6.743 -4.223 -8.034 1.00 0.00 O ATOM 789 ND2 ASN A 358 8.030 -3.613 -6.297 1.00 0.00 N ATOM 0 H ASN A 358 5.631 -1.472 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 358 3.934 -3.748 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 358 5.929 -2.371 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 358 5.312 -4.009 -5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 358 8.881 -3.935 -6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 358 8.079 -3.200 -5.366 1.00 0.00 H new ATOM 796 N ILE A 359 2.266 -2.186 -6.343 1.00 0.00 N ATOM 797 CA ILE A 359 1.303 -1.334 -5.665 1.00 0.00 C ATOM 798 C ILE A 359 0.619 -2.069 -4.526 1.00 0.00 C ATOM 799 O ILE A 359 -0.147 -3.007 -4.747 1.00 0.00 O ATOM 800 CB ILE A 359 0.228 -0.794 -6.619 1.00 0.00 C ATOM 801 CG1 ILE A 359 0.765 -0.719 -8.047 1.00 0.00 C ATOM 802 CG2 ILE A 359 -0.236 0.572 -6.141 1.00 0.00 C ATOM 803 CD1 ILE A 359 -0.283 -0.994 -9.104 1.00 0.00 C ATOM 0 H ILE A 359 1.865 -3.000 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 359 1.874 -0.494 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 359 -0.624 -1.474 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 359 1.188 0.271 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 359 1.578 -1.436 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 359 -0.999 0.955 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 359 -0.653 0.484 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 359 0.611 1.258 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 359 0.170 -0.923 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 359 -0.689 -1.995 -8.962 1.00 0.00 H new ATOM 0 HD13 ILE A 359 -1.086 -0.261 -9.020 1.00 0.00 H new ATOM 815 N GLY A 360 0.895 -1.630 -3.306 1.00 0.00 N ATOM 816 CA GLY A 360 0.291 -2.248 -2.146 1.00 0.00 C ATOM 817 C GLY A 360 0.095 -1.264 -1.014 1.00 0.00 C ATOM 818 O GLY A 360 -0.335 -0.135 -1.245 1.00 0.00 O ATOM 0 H GLY A 360 1.527 -0.856 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 360 -0.672 -2.676 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 360 0.920 -3.071 -1.806 1.00 0.00 H new ATOM 822 N TYR A 361 0.410 -1.681 0.210 1.00 0.00 N ATOM 823 CA TYR A 361 0.254 -0.797 1.363 1.00 0.00 C ATOM 824 C TYR A 361 1.566 -0.639 2.122 1.00 0.00 C ATOM 825 O TYR A 361 2.582 -1.234 1.761 1.00 0.00 O ATOM 826 CB TYR A 361 -0.838 -1.316 2.302 1.00 0.00 C ATOM 827 CG TYR A 361 -2.165 -1.556 1.618 1.00 0.00 C ATOM 828 CD1 TYR A 361 -2.998 -0.497 1.280 1.00 0.00 C ATOM 829 CD2 TYR A 361 -2.585 -2.844 1.310 1.00 0.00 C ATOM 830 CE1 TYR A 361 -4.211 -0.714 0.654 1.00 0.00 C ATOM 831 CE2 TYR A 361 -3.796 -3.070 0.684 1.00 0.00 C ATOM 832 CZ TYR A 361 -4.604 -2.002 0.359 1.00 0.00 C ATOM 833 OH TYR A 361 -5.813 -2.224 -0.263 1.00 0.00 O ATOM 0 H TYR A 361 0.769 -2.610 0.428 1.00 0.00 H new ATOM 0 HA TYR A 361 -0.042 0.182 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 361 -0.501 -2.247 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 361 -0.981 -0.599 3.110 1.00 0.00 H new ATOM 0 HD1 TYR A 361 -2.693 0.513 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 361 -1.954 -3.683 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 361 -4.847 0.120 0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 361 -4.107 -4.078 0.451 1.00 0.00 H new ATOM 0 HH TYR A 361 -5.938 -3.186 -0.400 1.00 0.00 H new ATOM 843 N ILE A 362 1.531 0.175 3.175 1.00 0.00 N ATOM 844 CA ILE A 362 2.704 0.433 3.999 1.00 0.00 C ATOM 845 C ILE A 362 2.367 1.383 5.151 1.00 0.00 C ATOM 846 O ILE A 362 1.928 2.510 4.925 1.00 0.00 O ATOM 847 CB ILE A 362 3.857 1.046 3.174 1.00 0.00 C ATOM 848 CG1 ILE A 362 4.948 1.593 4.100 1.00 0.00 C ATOM 849 CG2 ILE A 362 3.334 2.147 2.261 1.00 0.00 C ATOM 850 CD1 ILE A 362 6.290 0.920 3.922 1.00 0.00 C ATOM 0 H ILE A 362 0.692 0.671 3.478 1.00 0.00 H new ATOM 0 HA ILE A 362 3.024 -0.530 4.397 1.00 0.00 H new ATOM 0 HB ILE A 362 4.291 0.261 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 362 5.061 2.662 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 362 4.627 1.475 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 362 4.160 2.567 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 362 2.593 1.732 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 362 2.874 2.931 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 362 7.012 1.360 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 362 6.193 -0.146 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 362 6.634 1.060 2.897 1.00 0.00 H new ATOM 862 N PRO A 363 2.586 0.943 6.403 1.00 0.00 N ATOM 863 CA PRO A 363 2.325 1.760 7.590 1.00 0.00 C ATOM 864 C PRO A 363 2.911 3.156 7.431 1.00 0.00 C ATOM 865 O PRO A 363 3.980 3.313 6.840 1.00 0.00 O ATOM 866 CB PRO A 363 3.036 1.003 8.727 1.00 0.00 C ATOM 867 CG PRO A 363 3.785 -0.122 8.076 1.00 0.00 C ATOM 868 CD PRO A 363 3.119 -0.373 6.759 1.00 0.00 C ATOM 0 HA PRO A 363 1.259 1.898 7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 363 3.716 1.662 9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 363 2.316 0.623 9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 363 4.834 0.140 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 363 3.760 -1.016 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 363 3.825 -0.738 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 363 2.329 -1.119 6.842 1.00 0.00 H new ATOM 876 N TYR A 364 2.218 4.174 7.936 1.00 0.00 N ATOM 877 CA TYR A 364 2.724 5.543 7.798 1.00 0.00 C ATOM 878 C TYR A 364 4.062 5.714 8.520 1.00 0.00 C ATOM 879 O TYR A 364 4.891 6.531 8.119 1.00 0.00 O ATOM 880 CB TYR A 364 1.701 6.564 8.308 1.00 0.00 C ATOM 881 CG TYR A 364 2.306 7.748 9.040 1.00 0.00 C ATOM 882 CD1 TYR A 364 2.711 8.882 8.348 1.00 0.00 C ATOM 883 CD2 TYR A 364 2.469 7.732 10.420 1.00 0.00 C ATOM 884 CE1 TYR A 364 3.259 9.964 9.008 1.00 0.00 C ATOM 885 CE2 TYR A 364 3.017 8.810 11.087 1.00 0.00 C ATOM 886 CZ TYR A 364 3.410 9.924 10.378 1.00 0.00 C ATOM 887 OH TYR A 364 3.954 11.001 11.039 1.00 0.00 O ATOM 0 H TYR A 364 1.330 4.086 8.431 1.00 0.00 H new ATOM 0 HA TYR A 364 2.887 5.727 6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 364 1.122 6.933 7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 364 1.003 6.058 8.975 1.00 0.00 H new ATOM 0 HD1 TYR A 364 2.595 8.918 7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.162 6.861 10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 364 3.568 10.838 8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.137 8.780 12.160 1.00 0.00 H new ATOM 0 HH TYR A 364 3.989 10.811 12.000 1.00 0.00 H new ATOM 897 N ASN A 365 4.263 4.947 9.587 1.00 0.00 N ATOM 898 CA ASN A 365 5.498 5.028 10.362 1.00 0.00 C ATOM 899 C ASN A 365 6.630 4.247 9.696 1.00 0.00 C ATOM 900 O ASN A 365 7.663 3.989 10.316 1.00 0.00 O ATOM 901 CB ASN A 365 5.270 4.503 11.780 1.00 0.00 C ATOM 902 CG ASN A 365 5.650 5.518 12.841 1.00 0.00 C ATOM 903 OD1 ASN A 365 4.960 5.666 13.850 1.00 0.00 O ATOM 904 ND2 ASN A 365 6.752 6.226 12.618 1.00 0.00 N ATOM 0 H ASN A 365 3.590 4.264 9.935 1.00 0.00 H new ATOM 0 HA ASN A 365 5.791 6.077 10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 365 4.221 4.232 11.900 1.00 0.00 H new ATOM 0 HB3 ASN A 365 5.853 3.594 11.926 1.00 0.00 H new ATOM 0 HD21 ASN A 365 7.056 6.924 13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 365 7.294 6.071 11.768 1.00 0.00 H new ATOM 911 N TYR A 366 6.434 3.873 8.435 1.00 0.00 N ATOM 912 CA TYR A 366 7.447 3.122 7.697 1.00 0.00 C ATOM 913 C TYR A 366 7.859 3.850 6.419 1.00 0.00 C ATOM 914 O TYR A 366 8.723 3.381 5.677 1.00 0.00 O ATOM 915 CB TYR A 366 6.921 1.727 7.352 1.00 0.00 C ATOM 916 CG TYR A 366 7.460 0.633 8.247 1.00 0.00 C ATOM 917 CD1 TYR A 366 6.943 0.436 9.521 1.00 0.00 C ATOM 918 CD2 TYR A 366 8.482 -0.203 7.818 1.00 0.00 C ATOM 919 CE1 TYR A 366 7.430 -0.562 10.343 1.00 0.00 C ATOM 920 CE2 TYR A 366 8.975 -1.204 8.633 1.00 0.00 C ATOM 921 CZ TYR A 366 8.446 -1.379 9.895 1.00 0.00 C ATOM 922 OH TYR A 366 8.934 -2.374 10.710 1.00 0.00 O ATOM 0 H TYR A 366 5.587 4.076 7.904 1.00 0.00 H new ATOM 0 HA TYR A 366 8.326 3.031 8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 366 5.833 1.733 7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 366 7.178 1.497 6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 366 6.147 1.074 9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 366 8.899 -0.069 6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 366 7.017 -0.701 11.331 1.00 0.00 H new ATOM 0 HE2 TYR A 366 9.770 -1.846 8.284 1.00 0.00 H new ATOM 0 HH TYR A 366 9.646 -2.859 10.243 1.00 0.00 H new ATOM 932 N ILE A 367 7.237 4.998 6.165 1.00 0.00 N ATOM 933 CA ILE A 367 7.543 5.779 4.972 1.00 0.00 C ATOM 934 C ILE A 367 7.653 7.268 5.287 1.00 0.00 C ATOM 935 O ILE A 367 7.182 7.735 6.324 1.00 0.00 O ATOM 936 CB ILE A 367 6.485 5.573 3.875 1.00 0.00 C ATOM 937 CG1 ILE A 367 5.081 5.540 4.482 1.00 0.00 C ATOM 938 CG2 ILE A 367 6.770 4.294 3.102 1.00 0.00 C ATOM 939 CD1 ILE A 367 3.975 5.514 3.449 1.00 0.00 C ATOM 0 H ILE A 367 6.521 5.406 6.767 1.00 0.00 H new ATOM 0 HA ILE A 367 8.507 5.422 4.609 1.00 0.00 H new ATOM 0 HB ILE A 367 6.534 6.412 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 367 4.991 4.661 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 367 4.950 6.413 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 367 6.014 4.160 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 367 7.755 4.360 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 367 6.746 3.444 3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 367 3.008 5.491 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 367 4.039 6.406 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 367 4.081 4.626 2.825 1.00 0.00 H new ATOM 951 N GLU A 368 8.287 8.004 4.379 1.00 0.00 N ATOM 952 CA GLU A 368 8.481 9.438 4.537 1.00 0.00 C ATOM 953 C GLU A 368 7.500 10.220 3.666 1.00 0.00 C ATOM 954 O GLU A 368 7.060 9.736 2.623 1.00 0.00 O ATOM 955 CB GLU A 368 9.916 9.807 4.158 1.00 0.00 C ATOM 956 CG GLU A 368 10.407 11.104 4.776 1.00 0.00 C ATOM 957 CD GLU A 368 9.837 12.335 4.097 1.00 0.00 C ATOM 958 OE1 GLU A 368 9.682 12.310 2.858 1.00 0.00 O ATOM 959 OE2 GLU A 368 9.550 13.322 4.804 1.00 0.00 O ATOM 0 H GLU A 368 8.678 7.623 3.517 1.00 0.00 H new ATOM 0 HA GLU A 368 8.298 9.699 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.580 8.998 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 368 9.985 9.885 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.139 11.121 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.495 11.137 4.722 1.00 0.00 H new ATOM 966 N ILE A 369 7.172 11.434 4.096 1.00 0.00 N ATOM 967 CA ILE A 369 6.255 12.291 3.351 1.00 0.00 C ATOM 968 C ILE A 369 7.006 13.455 2.713 1.00 0.00 C ATOM 969 O ILE A 369 7.475 14.356 3.408 1.00 0.00 O ATOM 970 CB ILE A 369 5.143 12.849 4.258 1.00 0.00 C ATOM 971 CG1 ILE A 369 4.371 11.708 4.921 1.00 0.00 C ATOM 972 CG2 ILE A 369 4.199 13.739 3.463 1.00 0.00 C ATOM 973 CD1 ILE A 369 4.935 11.299 6.262 1.00 0.00 C ATOM 0 H ILE A 369 7.528 11.848 4.958 1.00 0.00 H new ATOM 0 HA ILE A 369 5.800 11.677 2.574 1.00 0.00 H new ATOM 0 HB ILE A 369 5.607 13.452 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 369 3.331 12.010 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 369 4.372 10.844 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 369 3.420 14.123 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 369 4.757 14.572 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 369 3.742 13.160 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 369 4.339 10.485 6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 369 5.966 10.966 6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 369 4.908 12.150 6.943 1.00 0.00 H new ATOM 985 N ILE A 370 7.124 13.427 1.390 1.00 0.00 N ATOM 986 CA ILE A 370 7.828 14.482 0.667 1.00 0.00 C ATOM 987 C ILE A 370 6.865 15.325 -0.161 1.00 0.00 C ATOM 988 O ILE A 370 6.647 16.500 0.204 1.00 0.00 O ATOM 989 CB ILE A 370 8.920 13.906 -0.255 1.00 0.00 C ATOM 990 CG1 ILE A 370 8.636 12.424 -0.510 1.00 0.00 C ATOM 991 CG2 ILE A 370 10.296 14.123 0.367 1.00 0.00 C ATOM 992 CD1 ILE A 370 9.866 11.548 -0.672 1.00 0.00 C ATOM 993 OXT ILE A 370 6.339 14.805 -1.166 1.00 0.00 O ATOM 0 H ILE A 370 6.743 12.689 0.798 1.00 0.00 H new ATOM 0 HA ILE A 370 8.300 15.114 1.419 1.00 0.00 H new ATOM 0 HB ILE A 370 8.911 14.423 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 370 8.041 12.037 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 370 8.027 12.337 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 370 11.062 13.713 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 370 10.469 15.190 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 370 10.342 13.621 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 370 9.558 10.517 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 370 10.455 11.901 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 370 10.469 11.596 0.235 1.00 0.00 H new