USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 497 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 5 ASN : amide:sc= -3.08! C(o=-3.1!,f=-16!) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= -0.713 (180deg=-1.56!) USER MOD Single : A 12 LYS NZ :NH3+ -108:sc= -0.253 (180deg=-0.767) USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= 0.511 (180deg=-1.93!) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0581) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 17 GLN : amide:sc= -0.0191 K(o=-0.019,f=-0.57) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 0.331! (180deg=-2.18!) USER MOD Single : A 37 ASN : amide:sc= -0.692 K(o=-0.69,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= 1.05 (180deg=0.113!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 40 ASN :FLIP amide:sc= -3.14! C(o=-4.1!,f=-3.1!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.378 USER MOD Single : A 44 GLN : amide:sc=-0.00762 K(o=-0.0076,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0365 (180deg=-0.391) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 55 THR OG1 : rot -18:sc= 0.737 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.528 -2.548 7.073 1.00 0.00 N ATOM 71 CA ASN A 5 -5.846 -3.661 7.741 1.00 0.00 C ATOM 72 C ASN A 5 -4.674 -4.180 6.914 1.00 0.00 C ATOM 73 O ASN A 5 -4.834 -5.084 6.095 1.00 0.00 O ATOM 74 CB ASN A 5 -6.833 -4.793 8.047 1.00 0.00 C ATOM 75 CG ASN A 5 -6.167 -5.857 8.912 1.00 0.00 C ATOM 76 OD1 ASN A 5 -4.981 -6.154 8.743 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.851 -6.451 9.839 1.00 0.00 N ATOM 0 HA ASN A 5 -5.444 -3.284 8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.708 -4.393 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.185 -5.239 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.409 -7.160 10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.831 -6.210 9.983 1.00 0.00 H new ATOM 84 N LEU A 6 -3.492 -3.654 7.183 1.00 0.00 N ATOM 85 CA LEU A 6 -2.259 -4.096 6.511 1.00 0.00 C ATOM 86 C LEU A 6 -1.904 -5.543 6.833 1.00 0.00 C ATOM 87 O LEU A 6 -1.442 -6.295 5.961 1.00 0.00 O ATOM 88 CB LEU A 6 -1.099 -3.136 6.787 1.00 0.00 C ATOM 89 CG LEU A 6 -1.344 -1.821 6.023 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.393 -0.737 6.521 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.076 -2.049 4.533 1.00 0.00 C ATOM 0 H LEU A 6 -3.348 -2.912 7.868 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.453 -4.068 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.018 -2.941 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.156 -3.584 6.473 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.375 -1.507 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.576 0.187 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.560 -0.568 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.637 -1.055 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.248 -1.122 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.043 -2.366 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.747 -2.821 4.157 1.00 0.00 H new ATOM 103 N LYS A 7 -2.170 -5.948 8.062 1.00 0.00 N ATOM 104 CA LYS A 7 -1.927 -7.317 8.478 1.00 0.00 C ATOM 105 C LYS A 7 -2.612 -8.276 7.528 1.00 0.00 C ATOM 106 O LYS A 7 -2.001 -9.230 7.054 1.00 0.00 O ATOM 107 CB LYS A 7 -2.452 -7.522 9.926 1.00 0.00 C ATOM 108 CG LYS A 7 -3.034 -8.944 10.128 1.00 0.00 C ATOM 109 CD LYS A 7 -1.932 -10.004 10.136 1.00 0.00 C ATOM 110 CE LYS A 7 -2.585 -11.395 10.197 1.00 0.00 C ATOM 111 NZ LYS A 7 -1.554 -12.441 10.111 1.00 0.00 N ATOM 0 H LYS A 7 -2.555 -5.347 8.790 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.855 -7.516 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.640 -7.357 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.220 -6.780 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.585 -8.983 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.746 -9.163 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.316 -9.915 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.274 -9.858 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.146 -11.502 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.297 -11.507 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.008 -13.365 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.919 -12.238 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.005 -12.461 10.994 1.00 0.00 H new ATOM 125 N LEU A 8 -3.863 -7.995 7.210 1.00 0.00 N ATOM 126 CA LEU A 8 -4.598 -8.840 6.282 1.00 0.00 C ATOM 127 C LEU A 8 -3.973 -8.796 4.897 1.00 0.00 C ATOM 128 O LEU A 8 -3.877 -9.814 4.212 1.00 0.00 O ATOM 129 CB LEU A 8 -6.083 -8.486 6.244 1.00 0.00 C ATOM 130 CG LEU A 8 -6.711 -8.790 7.620 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.192 -8.408 7.619 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.551 -10.281 7.974 1.00 0.00 C ATOM 0 H LEU A 8 -4.387 -7.199 7.574 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.530 -9.866 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.212 -7.432 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.586 -9.060 5.466 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.191 -8.198 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.625 -8.627 8.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.293 -7.343 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.715 -8.981 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.001 -10.474 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.047 -10.890 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.492 -10.536 8.007 1.00 0.00 H new ATOM 144 N ILE A 9 -3.485 -7.629 4.508 1.00 0.00 N ATOM 145 CA ILE A 9 -2.827 -7.501 3.227 1.00 0.00 C ATOM 146 C ILE A 9 -1.593 -8.392 3.215 1.00 0.00 C ATOM 147 O ILE A 9 -1.338 -9.107 2.245 1.00 0.00 O ATOM 148 CB ILE A 9 -2.422 -6.044 2.937 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.640 -5.103 3.049 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.829 -5.950 1.527 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.749 -5.504 2.061 1.00 0.00 C ATOM 0 H ILE A 9 -3.533 -6.770 5.056 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.525 -7.808 2.448 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.679 -5.737 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.030 -5.129 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.329 -4.077 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.542 -4.919 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.951 -6.592 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.572 -6.272 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.593 -4.822 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.365 -5.453 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.076 -6.521 2.275 1.00 0.00 H new ATOM 163 N ARG A 10 -0.848 -8.390 4.310 1.00 0.00 N ATOM 164 CA ARG A 10 0.331 -9.235 4.372 1.00 0.00 C ATOM 165 C ARG A 10 -0.107 -10.678 4.198 1.00 0.00 C ATOM 166 O ARG A 10 0.533 -11.453 3.478 1.00 0.00 O ATOM 167 CB ARG A 10 1.057 -9.108 5.716 1.00 0.00 C ATOM 168 CG ARG A 10 1.637 -7.697 5.901 1.00 0.00 C ATOM 169 CD ARG A 10 2.672 -7.728 7.036 1.00 0.00 C ATOM 170 NE ARG A 10 2.346 -8.791 7.996 1.00 0.00 N ATOM 171 CZ ARG A 10 1.933 -8.562 9.243 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.763 -7.344 9.678 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.685 -9.570 10.020 1.00 0.00 N ATOM 0 H ARG A 10 -1.031 -7.831 5.143 1.00 0.00 H new ATOM 0 HA ARG A 10 1.017 -8.922 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.365 -9.330 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.859 -9.844 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.102 -7.357 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.841 -6.990 6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.668 -7.893 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.693 -6.764 7.544 1.00 0.00 H new ATOM 0 HE ARG A 10 2.441 -9.760 7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.946 -6.552 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.447 -7.184 10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.807 -10.522 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.368 -9.411 10.976 1.00 0.00 H new ATOM 187 N GLU A 11 -1.236 -11.025 4.815 1.00 0.00 N ATOM 188 CA GLU A 11 -1.772 -12.363 4.669 1.00 0.00 C ATOM 189 C GLU A 11 -2.149 -12.595 3.219 1.00 0.00 C ATOM 190 O GLU A 11 -1.867 -13.655 2.650 1.00 0.00 O ATOM 191 CB GLU A 11 -3.003 -12.567 5.556 1.00 0.00 C ATOM 192 CG GLU A 11 -2.623 -12.387 7.030 1.00 0.00 C ATOM 193 CD GLU A 11 -1.548 -13.373 7.417 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.740 -14.544 7.220 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.534 -12.936 7.926 1.00 0.00 O ATOM 0 H GLU A 11 -1.784 -10.404 5.410 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.008 -13.076 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.781 -11.854 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.415 -13.564 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.271 -11.369 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.501 -12.530 7.659 1.00 0.00 H new ATOM 202 N LYS A 12 -2.721 -11.575 2.601 1.00 0.00 N ATOM 203 CA LYS A 12 -3.047 -11.624 1.186 1.00 0.00 C ATOM 204 C LYS A 12 -1.776 -11.782 0.365 1.00 0.00 C ATOM 205 O LYS A 12 -1.743 -12.520 -0.619 1.00 0.00 O ATOM 206 CB LYS A 12 -3.774 -10.341 0.769 1.00 0.00 C ATOM 207 CG LYS A 12 -5.213 -10.339 1.315 1.00 0.00 C ATOM 208 CD LYS A 12 -5.856 -8.954 1.117 1.00 0.00 C ATOM 209 CE LYS A 12 -5.562 -8.414 -0.290 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.013 -9.383 -1.303 1.00 0.00 N ATOM 0 H LYS A 12 -2.970 -10.699 3.060 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.699 -12.478 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.235 -9.471 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.790 -10.261 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.804 -11.099 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.208 -10.598 2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.933 -9.023 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.474 -8.260 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.068 -7.460 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.494 -8.228 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.186 -9.835 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.604 -10.109 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.568 -8.890 -2.032 1.00 0.00 H new ATOM 224 N LYS A 13 -0.734 -11.077 0.772 1.00 0.00 N ATOM 225 CA LYS A 13 0.550 -11.114 0.075 1.00 0.00 C ATOM 226 C LYS A 13 1.304 -12.426 0.336 1.00 0.00 C ATOM 227 O LYS A 13 2.333 -12.683 -0.293 1.00 0.00 O ATOM 228 CB LYS A 13 1.420 -9.923 0.489 1.00 0.00 C ATOM 229 CG LYS A 13 0.805 -8.602 0.007 1.00 0.00 C ATOM 230 CD LYS A 13 0.811 -8.550 -1.530 1.00 0.00 C ATOM 231 CE LYS A 13 1.507 -7.265 -1.996 1.00 0.00 C ATOM 232 NZ LYS A 13 2.862 -7.606 -2.501 1.00 0.00 N ATOM 0 H LYS A 13 -0.749 -10.466 1.588 1.00 0.00 H new ATOM 0 HA LYS A 13 0.340 -11.054 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.526 -9.905 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.421 -10.036 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.216 -8.509 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.368 -7.760 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.327 -9.422 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.210 -8.581 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.923 -6.783 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.580 -6.556 -1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.579 -7.116 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.009 -8.633 -2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.948 -7.308 -3.494 1.00 0.00 H new ATOM 246 N LYS A 14 0.833 -13.218 1.298 1.00 0.00 N ATOM 247 CA LYS A 14 1.506 -14.475 1.666 1.00 0.00 C ATOM 248 C LYS A 14 2.955 -14.201 2.055 1.00 0.00 C ATOM 249 O LYS A 14 3.892 -14.812 1.509 1.00 0.00 O ATOM 250 CB LYS A 14 1.464 -15.480 0.496 1.00 0.00 C ATOM 251 CG LYS A 14 0.014 -15.884 0.200 1.00 0.00 C ATOM 252 CD LYS A 14 -0.018 -16.804 -1.031 1.00 0.00 C ATOM 253 CE LYS A 14 -1.470 -17.159 -1.378 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.007 -18.119 -0.376 1.00 0.00 N ATOM 0 H LYS A 14 -0.009 -13.018 1.838 1.00 0.00 H new ATOM 0 HA LYS A 14 0.979 -14.907 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.914 -15.036 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.053 -16.363 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.416 -16.395 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.593 -14.997 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.457 -16.310 -1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.550 -17.713 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.081 -16.256 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.519 -17.595 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.939 -18.461 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.356 -18.925 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.102 -17.644 0.544 1.00 0.00 H new ATOM 268 N ILE A 15 3.142 -13.262 2.962 1.00 0.00 N ATOM 269 CA ILE A 15 4.478 -12.860 3.370 1.00 0.00 C ATOM 270 C ILE A 15 4.868 -13.549 4.669 1.00 0.00 C ATOM 271 O ILE A 15 4.238 -13.339 5.707 1.00 0.00 O ATOM 272 CB ILE A 15 4.521 -11.327 3.549 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.110 -10.657 2.242 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.934 -10.865 3.919 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.007 -9.144 2.450 1.00 0.00 C ATOM 0 H ILE A 15 2.387 -12.762 3.432 1.00 0.00 H new ATOM 0 HA ILE A 15 5.189 -13.155 2.598 1.00 0.00 H new ATOM 0 HB ILE A 15 3.836 -11.051 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.840 -10.878 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.153 -11.054 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.943 -9.782 4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.238 -11.337 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.628 -11.147 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.713 -8.667 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.261 -8.932 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.974 -8.754 2.768 1.00 0.00 H new ATOM 287 N SER A 16 5.957 -14.304 4.623 1.00 0.00 N ATOM 288 CA SER A 16 6.489 -14.940 5.812 1.00 0.00 C ATOM 289 C SER A 16 7.125 -13.882 6.711 1.00 0.00 C ATOM 290 O SER A 16 7.465 -12.782 6.251 1.00 0.00 O ATOM 291 CB SER A 16 7.543 -15.982 5.419 1.00 0.00 C ATOM 292 OG SER A 16 7.140 -16.635 4.212 1.00 0.00 O ATOM 0 H SER A 16 6.487 -14.489 3.772 1.00 0.00 H new ATOM 0 HA SER A 16 5.680 -15.436 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.511 -15.501 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.663 -16.713 6.218 1.00 0.00 H new ATOM 0 HG SER A 16 7.814 -17.300 3.959 1.00 0.00 H new ATOM 298 N GLN A 17 7.363 -14.235 7.964 1.00 0.00 N ATOM 299 CA GLN A 17 8.005 -13.312 8.885 1.00 0.00 C ATOM 300 C GLN A 17 9.329 -12.874 8.289 1.00 0.00 C ATOM 301 O GLN A 17 9.639 -11.685 8.227 1.00 0.00 O ATOM 302 CB GLN A 17 8.286 -14.031 10.195 1.00 0.00 C ATOM 303 CG GLN A 17 6.974 -14.419 10.868 1.00 0.00 C ATOM 304 CD GLN A 17 7.279 -15.263 12.086 1.00 0.00 C ATOM 305 OE1 GLN A 17 8.079 -16.198 12.002 1.00 0.00 O ATOM 306 NE2 GLN A 17 6.696 -15.002 13.208 1.00 0.00 N ATOM 0 H GLN A 17 7.125 -15.143 8.363 1.00 0.00 H new ATOM 0 HA GLN A 17 7.358 -12.452 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.886 -14.922 10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.867 -13.387 10.856 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.420 -13.526 11.157 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.344 -14.974 10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.035 -14.227 13.271 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.896 -15.570 14.031 1.00 0.00 H new ATOM 315 N SER A 18 10.063 -13.838 7.779 1.00 0.00 N ATOM 316 CA SER A 18 11.327 -13.581 7.130 1.00 0.00 C ATOM 317 C SER A 18 11.139 -12.710 5.901 1.00 0.00 C ATOM 318 O SER A 18 11.936 -11.797 5.645 1.00 0.00 O ATOM 319 CB SER A 18 11.969 -14.908 6.749 1.00 0.00 C ATOM 320 OG SER A 18 10.939 -15.824 6.351 1.00 0.00 O ATOM 0 H SER A 18 9.799 -14.823 7.803 1.00 0.00 H new ATOM 0 HA SER A 18 11.979 -13.044 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.680 -14.763 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.528 -15.313 7.593 1.00 0.00 H new ATOM 0 HG SER A 18 11.342 -16.682 6.102 1.00 0.00 H new ATOM 326 N GLU A 19 10.070 -12.967 5.157 1.00 0.00 N ATOM 327 CA GLU A 19 9.785 -12.189 3.968 1.00 0.00 C ATOM 328 C GLU A 19 9.539 -10.745 4.378 1.00 0.00 C ATOM 329 O GLU A 19 10.120 -9.821 3.815 1.00 0.00 O ATOM 330 CB GLU A 19 8.536 -12.735 3.256 1.00 0.00 C ATOM 331 CG GLU A 19 8.748 -14.191 2.784 1.00 0.00 C ATOM 332 CD GLU A 19 9.842 -14.291 1.748 1.00 0.00 C ATOM 333 OE1 GLU A 19 10.171 -13.306 1.146 1.00 0.00 O ATOM 334 OE2 GLU A 19 10.332 -15.380 1.557 1.00 0.00 O ATOM 0 H GLU A 19 9.393 -13.703 5.358 1.00 0.00 H new ATOM 0 HA GLU A 19 10.632 -12.252 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.682 -12.691 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.298 -12.104 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.999 -14.818 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.817 -14.578 2.368 1.00 0.00 H new ATOM 341 N LEU A 20 8.755 -10.565 5.442 1.00 0.00 N ATOM 342 CA LEU A 20 8.536 -9.236 6.002 1.00 0.00 C ATOM 343 C LEU A 20 9.854 -8.682 6.532 1.00 0.00 C ATOM 344 O LEU A 20 10.219 -7.531 6.274 1.00 0.00 O ATOM 345 CB LEU A 20 7.489 -9.290 7.131 1.00 0.00 C ATOM 346 CG LEU A 20 7.246 -7.877 7.714 1.00 0.00 C ATOM 347 CD1 LEU A 20 6.756 -6.925 6.617 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.189 -7.955 8.819 1.00 0.00 C ATOM 0 H LEU A 20 8.266 -11.317 5.928 1.00 0.00 H new ATOM 0 HA LEU A 20 8.159 -8.580 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.553 -9.697 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.830 -9.961 7.919 1.00 0.00 H new ATOM 0 HG LEU A 20 8.184 -7.500 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.589 -5.935 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.507 -6.860 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.823 -7.302 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.018 -6.960 9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.258 -8.342 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.538 -8.619 9.610 1.00 0.00 H new ATOM 360 N ALA A 21 10.585 -9.529 7.243 1.00 0.00 N ATOM 361 CA ALA A 21 11.881 -9.147 7.802 1.00 0.00 C ATOM 362 C ALA A 21 12.848 -8.728 6.702 1.00 0.00 C ATOM 363 O ALA A 21 13.772 -7.945 6.939 1.00 0.00 O ATOM 364 CB ALA A 21 12.489 -10.304 8.596 1.00 0.00 C ATOM 0 H ALA A 21 10.305 -10.488 7.449 1.00 0.00 H new ATOM 0 HA ALA A 21 11.715 -8.301 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.453 -9.999 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.820 -10.576 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.628 -11.163 7.939 1.00 0.00 H new ATOM 370 N ALA A 22 12.641 -9.261 5.507 1.00 0.00 N ATOM 371 CA ALA A 22 13.510 -8.953 4.378 1.00 0.00 C ATOM 372 C ALA A 22 13.546 -7.456 4.140 1.00 0.00 C ATOM 373 O ALA A 22 14.597 -6.888 3.849 1.00 0.00 O ATOM 374 CB ALA A 22 13.021 -9.668 3.115 1.00 0.00 C ATOM 0 H ALA A 22 11.881 -9.907 5.293 1.00 0.00 H new ATOM 0 HA ALA A 22 14.516 -9.302 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.681 -9.427 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.026 -10.745 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.008 -9.341 2.881 1.00 0.00 H new ATOM 380 N LEU A 23 12.420 -6.809 4.376 1.00 0.00 N ATOM 381 CA LEU A 23 12.326 -5.357 4.276 1.00 0.00 C ATOM 382 C LEU A 23 13.247 -4.702 5.279 1.00 0.00 C ATOM 383 O LEU A 23 13.764 -3.610 5.050 1.00 0.00 O ATOM 384 CB LEU A 23 10.888 -4.902 4.526 1.00 0.00 C ATOM 385 CG LEU A 23 10.005 -5.326 3.354 1.00 0.00 C ATOM 386 CD1 LEU A 23 8.531 -5.151 3.729 1.00 0.00 C ATOM 387 CD2 LEU A 23 10.325 -4.434 2.146 1.00 0.00 C ATOM 0 H LEU A 23 11.548 -7.267 4.641 1.00 0.00 H new ATOM 0 HA LEU A 23 12.625 -5.060 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.514 -5.338 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.854 -3.819 4.647 1.00 0.00 H new ATOM 0 HG LEU A 23 10.194 -6.372 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.904 -5.454 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.301 -5.769 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.338 -4.105 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.701 -4.727 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.127 -3.393 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.375 -4.548 1.877 1.00 0.00 H new ATOM 399 N LEU A 24 13.377 -5.335 6.424 1.00 0.00 N ATOM 400 CA LEU A 24 14.161 -4.796 7.518 1.00 0.00 C ATOM 401 C LEU A 24 15.653 -5.012 7.318 1.00 0.00 C ATOM 402 O LEU A 24 16.433 -4.848 8.253 1.00 0.00 O ATOM 403 CB LEU A 24 13.689 -5.350 8.868 1.00 0.00 C ATOM 404 CG LEU A 24 12.290 -4.791 9.184 1.00 0.00 C ATOM 405 CD1 LEU A 24 11.676 -5.549 10.362 1.00 0.00 C ATOM 406 CD2 LEU A 24 12.399 -3.305 9.550 1.00 0.00 C ATOM 0 H LEU A 24 12.944 -6.236 6.625 1.00 0.00 H new ATOM 0 HA LEU A 24 13.998 -3.718 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.660 -6.439 8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.391 -5.072 9.654 1.00 0.00 H new ATOM 0 HG LEU A 24 11.657 -4.911 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.686 -5.146 10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.590 -6.606 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.313 -5.436 11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.407 -2.912 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.040 -3.192 10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.828 -2.755 8.713 1.00 0.00 H new ATOM 418 N GLU A 25 16.062 -5.314 6.082 1.00 0.00 N ATOM 419 CA GLU A 25 17.487 -5.415 5.770 1.00 0.00 C ATOM 420 C GLU A 25 18.173 -4.081 6.066 1.00 0.00 C ATOM 421 O GLU A 25 19.408 -3.980 6.061 1.00 0.00 O ATOM 422 CB GLU A 25 17.719 -5.844 4.308 1.00 0.00 C ATOM 423 CG GLU A 25 17.240 -4.754 3.340 1.00 0.00 C ATOM 424 CD GLU A 25 17.546 -5.164 1.914 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.681 -5.040 1.519 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.649 -5.590 1.236 1.00 0.00 O ATOM 0 H GLU A 25 15.437 -5.490 5.295 1.00 0.00 H new ATOM 0 HA GLU A 25 17.925 -6.188 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.779 -6.041 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.187 -6.774 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.169 -4.593 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.732 -3.809 3.570 1.00 0.00 H new ATOM 433 N VAL A 26 17.352 -3.079 6.360 1.00 0.00 N ATOM 434 CA VAL A 26 17.801 -1.755 6.756 1.00 0.00 C ATOM 435 C VAL A 26 17.621 -1.615 8.265 1.00 0.00 C ATOM 436 O VAL A 26 17.274 -2.584 8.934 1.00 0.00 O ATOM 437 CB VAL A 26 16.985 -0.682 6.017 1.00 0.00 C ATOM 438 CG1 VAL A 26 17.271 -0.771 4.517 1.00 0.00 C ATOM 439 CG2 VAL A 26 15.485 -0.914 6.256 1.00 0.00 C ATOM 0 H VAL A 26 16.336 -3.169 6.328 1.00 0.00 H new ATOM 0 HA VAL A 26 18.852 -1.622 6.498 1.00 0.00 H new ATOM 0 HB VAL A 26 17.266 0.303 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.693 -0.011 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.334 -0.607 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.990 -1.758 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.911 -0.151 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.205 -1.900 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.273 -0.856 7.324 1.00 0.00 H new ATOM 449 N SER A 27 17.874 -0.445 8.812 1.00 0.00 N ATOM 450 CA SER A 27 17.751 -0.288 10.252 1.00 0.00 C ATOM 451 C SER A 27 16.318 -0.605 10.697 1.00 0.00 C ATOM 452 O SER A 27 15.368 0.077 10.296 1.00 0.00 O ATOM 453 CB SER A 27 18.114 1.140 10.647 1.00 0.00 C ATOM 454 OG SER A 27 19.209 1.590 9.841 1.00 0.00 O ATOM 0 H SER A 27 18.158 0.391 8.302 1.00 0.00 H new ATOM 0 HA SER A 27 18.433 -0.981 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.254 1.797 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.384 1.180 11.702 1.00 0.00 H new ATOM 0 HG SER A 27 19.444 2.508 10.091 1.00 0.00 H new ATOM 460 N ARG A 28 16.175 -1.618 11.546 1.00 0.00 N ATOM 461 CA ARG A 28 14.873 -2.006 12.088 1.00 0.00 C ATOM 462 C ARG A 28 14.440 -1.143 13.266 1.00 0.00 C ATOM 463 O ARG A 28 13.293 -1.238 13.706 1.00 0.00 O ATOM 464 CB ARG A 28 14.801 -3.508 12.439 1.00 0.00 C ATOM 465 CG ARG A 28 16.084 -3.959 13.146 1.00 0.00 C ATOM 466 CD ARG A 28 16.872 -4.886 12.214 1.00 0.00 C ATOM 467 NE ARG A 28 16.163 -6.155 12.042 1.00 0.00 N ATOM 468 CZ ARG A 28 16.397 -6.953 11.000 1.00 0.00 C ATOM 469 NH1 ARG A 28 17.300 -6.632 10.126 1.00 0.00 N ATOM 470 NH2 ARG A 28 15.725 -8.056 10.865 1.00 0.00 N ATOM 0 H ARG A 28 16.951 -2.191 11.877 1.00 0.00 H new ATOM 0 HA ARG A 28 14.159 -1.826 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.940 -3.696 13.081 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.655 -4.093 11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.689 -3.093 13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.840 -4.477 14.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.012 -4.406 11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.865 -5.069 12.626 1.00 0.00 H new ATOM 0 HE ARG A 28 15.472 -6.436 12.738 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.832 -5.768 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.478 -7.243 9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.019 -8.311 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.903 -8.667 10.068 1.00 0.00 H new ATOM 484 N GLN A 29 15.389 -0.433 13.880 1.00 0.00 N ATOM 485 CA GLN A 29 15.104 0.291 15.126 1.00 0.00 C ATOM 486 C GLN A 29 13.757 0.994 15.070 1.00 0.00 C ATOM 487 O GLN A 29 13.005 0.983 16.054 1.00 0.00 O ATOM 488 CB GLN A 29 16.194 1.332 15.445 1.00 0.00 C ATOM 489 CG GLN A 29 17.503 0.641 15.841 1.00 0.00 C ATOM 490 CD GLN A 29 18.561 1.667 16.232 1.00 0.00 C ATOM 491 OE1 GLN A 29 18.381 2.920 15.958 1.00 0.00 O flip ATOM 492 NE2 GLN A 29 19.581 1.308 16.825 1.00 0.00 N flip ATOM 0 H GLN A 29 16.348 -0.343 13.544 1.00 0.00 H new ATOM 0 HA GLN A 29 15.086 -0.460 15.915 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.361 1.969 14.576 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.859 1.980 16.255 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.323 -0.038 16.674 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.866 0.036 15.010 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.725 0.322 17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.281 1.997 17.099 1.00 0.00 H new ATOM 501 N THR A 30 13.454 1.609 13.944 1.00 0.00 N ATOM 502 CA THR A 30 12.214 2.345 13.816 1.00 0.00 C ATOM 503 C THR A 30 11.004 1.427 13.985 1.00 0.00 C ATOM 504 O THR A 30 10.151 1.668 14.845 1.00 0.00 O ATOM 505 CB THR A 30 12.185 3.041 12.455 1.00 0.00 C ATOM 506 OG1 THR A 30 12.807 2.198 11.491 1.00 0.00 O ATOM 507 CG2 THR A 30 12.950 4.363 12.540 1.00 0.00 C ATOM 0 H THR A 30 14.044 1.614 13.112 1.00 0.00 H new ATOM 0 HA THR A 30 12.162 3.093 14.607 1.00 0.00 H new ATOM 0 HB THR A 30 11.153 3.239 12.165 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.791 2.636 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.929 4.859 11.569 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.483 5.006 13.286 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.984 4.168 12.825 1.00 0.00 H new ATOM 515 N ILE A 31 10.956 0.338 13.219 1.00 0.00 N ATOM 516 CA ILE A 31 9.870 -0.628 13.372 1.00 0.00 C ATOM 517 C ILE A 31 10.043 -1.427 14.663 1.00 0.00 C ATOM 518 O ILE A 31 9.081 -1.752 15.334 1.00 0.00 O ATOM 519 CB ILE A 31 9.743 -1.560 12.152 1.00 0.00 C ATOM 520 CG1 ILE A 31 8.359 -2.232 12.167 1.00 0.00 C ATOM 521 CG2 ILE A 31 10.811 -2.651 12.213 1.00 0.00 C ATOM 522 CD1 ILE A 31 8.113 -2.947 10.836 1.00 0.00 C ATOM 0 H ILE A 31 11.641 0.105 12.500 1.00 0.00 H new ATOM 0 HA ILE A 31 8.938 -0.066 13.434 1.00 0.00 H new ATOM 0 HB ILE A 31 9.870 -0.971 11.244 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.300 -2.945 12.989 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.584 -1.485 12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.713 -3.305 11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.800 -2.193 12.212 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.683 -3.235 13.124 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.131 -3.421 10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.152 -2.224 10.022 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.880 -3.707 10.684 1.00 0.00 H new ATOM 534 N ASN A 32 11.282 -1.779 14.978 1.00 0.00 N ATOM 535 CA ASN A 32 11.561 -2.619 16.145 1.00 0.00 C ATOM 536 C ASN A 32 10.993 -1.962 17.380 1.00 0.00 C ATOM 537 O ASN A 32 10.466 -2.633 18.277 1.00 0.00 O ATOM 538 CB ASN A 32 13.068 -2.837 16.313 1.00 0.00 C ATOM 539 CG ASN A 32 13.321 -3.895 17.377 1.00 0.00 C ATOM 540 OD1 ASN A 32 12.802 -5.013 17.280 1.00 0.00 O ATOM 541 ND2 ASN A 32 14.086 -3.618 18.387 1.00 0.00 N ATOM 0 H ASN A 32 12.108 -1.500 14.449 1.00 0.00 H new ATOM 0 HA ASN A 32 11.093 -3.592 15.998 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.507 -3.149 15.365 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.551 -1.901 16.596 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.260 -4.323 19.103 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.513 -2.695 18.465 1.00 0.00 H new ATOM 548 N GLY A 33 11.017 -0.638 17.380 1.00 0.00 N ATOM 549 CA GLY A 33 10.431 0.145 18.453 1.00 0.00 C ATOM 550 C GLY A 33 8.926 -0.116 18.606 1.00 0.00 C ATOM 551 O GLY A 33 8.274 0.464 19.487 1.00 0.00 O ATOM 0 H GLY A 33 11.441 -0.080 16.639 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.936 -0.090 19.390 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.596 1.205 18.259 1.00 0.00 H new ATOM 555 N ILE A 34 8.374 -1.031 17.798 1.00 0.00 N ATOM 556 CA ILE A 34 6.958 -1.357 17.911 1.00 0.00 C ATOM 557 C ILE A 34 6.623 -1.798 19.301 1.00 0.00 C ATOM 558 O ILE A 34 5.490 -1.687 19.726 1.00 0.00 O ATOM 559 CB ILE A 34 6.519 -2.441 16.909 1.00 0.00 C ATOM 560 CG1 ILE A 34 7.468 -3.653 16.984 1.00 0.00 C ATOM 561 CG2 ILE A 34 6.464 -1.883 15.481 1.00 0.00 C ATOM 562 CD1 ILE A 34 6.980 -4.758 16.040 1.00 0.00 C ATOM 0 H ILE A 34 8.878 -1.545 17.076 1.00 0.00 H new ATOM 0 HA ILE A 34 6.413 -0.443 17.674 1.00 0.00 H new ATOM 0 HB ILE A 34 5.514 -2.768 17.178 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.479 -3.351 16.712 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.511 -4.029 18.006 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.151 -2.670 14.795 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.750 -1.060 15.439 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.451 -1.522 15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.656 -5.611 16.099 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.977 -5.069 16.332 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.960 -4.381 15.018 1.00 0.00 H new ATOM 574 N GLU A 35 7.609 -2.260 20.029 1.00 0.00 N ATOM 575 CA GLU A 35 7.346 -2.675 21.378 1.00 0.00 C ATOM 576 C GLU A 35 6.832 -1.488 22.193 1.00 0.00 C ATOM 577 O GLU A 35 5.807 -1.595 22.880 1.00 0.00 O ATOM 578 CB GLU A 35 8.588 -3.288 22.013 1.00 0.00 C ATOM 579 CG GLU A 35 8.993 -4.564 21.244 1.00 0.00 C ATOM 580 CD GLU A 35 7.888 -5.622 21.262 1.00 0.00 C ATOM 581 OE1 GLU A 35 7.009 -5.552 22.102 1.00 0.00 O ATOM 582 OE2 GLU A 35 7.947 -6.510 20.447 1.00 0.00 O ATOM 0 H GLU A 35 8.576 -2.356 19.718 1.00 0.00 H new ATOM 0 HA GLU A 35 6.576 -3.446 21.366 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.407 -2.569 22.000 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.392 -3.529 23.058 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.230 -4.305 20.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.899 -4.980 21.684 1.00 0.00 H new ATOM 589 N LYS A 36 7.434 -0.324 21.994 1.00 0.00 N ATOM 590 CA LYS A 36 6.913 0.884 22.615 1.00 0.00 C ATOM 591 C LYS A 36 5.882 1.541 21.714 1.00 0.00 C ATOM 592 O LYS A 36 5.063 2.339 22.174 1.00 0.00 O ATOM 593 CB LYS A 36 8.046 1.873 22.913 1.00 0.00 C ATOM 594 CG LYS A 36 7.547 2.969 23.865 1.00 0.00 C ATOM 595 CD LYS A 36 7.272 4.257 23.068 1.00 0.00 C ATOM 596 CE LYS A 36 6.106 5.030 23.699 1.00 0.00 C ATOM 597 NZ LYS A 36 4.883 4.178 23.697 1.00 0.00 N ATOM 0 H LYS A 36 8.266 -0.191 21.420 1.00 0.00 H new ATOM 0 HA LYS A 36 6.437 0.603 23.554 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.890 1.348 23.360 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.403 2.320 21.985 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.639 2.641 24.370 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.291 3.160 24.639 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.165 4.881 23.051 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.037 4.010 22.033 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.358 5.320 24.719 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.922 5.949 23.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.083 4.720 23.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.047 3.337 23.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.664 3.882 24.670 1.00 0.00 H new ATOM 611 N ASN A 37 5.937 1.211 20.434 1.00 0.00 N ATOM 612 CA ASN A 37 5.000 1.735 19.445 1.00 0.00 C ATOM 613 C ASN A 37 3.834 0.772 19.199 1.00 0.00 C ATOM 614 O ASN A 37 3.310 0.719 18.086 1.00 0.00 O ATOM 615 CB ASN A 37 5.716 2.080 18.134 1.00 0.00 C ATOM 616 CG ASN A 37 5.012 3.230 17.429 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.425 4.106 18.084 1.00 0.00 O ATOM 618 ND2 ASN A 37 5.050 3.306 16.133 1.00 0.00 N ATOM 0 H ASN A 37 6.632 0.572 20.048 1.00 0.00 H new ATOM 0 HA ASN A 37 4.580 2.655 19.853 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.752 2.351 18.339 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.738 1.206 17.484 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.598 4.085 15.654 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.532 2.587 15.594 1.00 0.00 H new ATOM 625 N LYS A 38 3.639 -0.160 20.130 1.00 0.00 N ATOM 626 CA LYS A 38 2.746 -1.339 19.963 1.00 0.00 C ATOM 627 C LYS A 38 1.307 -1.022 19.507 1.00 0.00 C ATOM 628 O LYS A 38 0.404 -1.858 19.680 1.00 0.00 O ATOM 629 CB LYS A 38 2.723 -2.207 21.234 1.00 0.00 C ATOM 630 CG LYS A 38 2.711 -3.698 20.834 1.00 0.00 C ATOM 631 CD LYS A 38 4.122 -4.138 20.417 1.00 0.00 C ATOM 632 CE LYS A 38 4.149 -5.653 20.158 1.00 0.00 C ATOM 633 NZ LYS A 38 4.730 -6.350 21.338 1.00 0.00 N ATOM 0 H LYS A 38 4.097 -0.130 21.041 1.00 0.00 H new ATOM 0 HA LYS A 38 3.192 -1.896 19.139 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.595 -1.991 21.851 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.843 -1.972 21.833 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.363 -4.305 21.670 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.013 -3.858 20.012 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.427 -3.602 19.518 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.837 -3.882 21.199 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.140 -6.018 19.968 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.739 -5.870 19.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.061 -7.294 21.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.531 -5.799 21.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.005 -6.445 22.077 1.00 0.00 H new ATOM 647 N TYR A 39 1.127 0.057 18.785 1.00 0.00 N ATOM 648 CA TYR A 39 -0.148 0.339 18.135 1.00 0.00 C ATOM 649 C TYR A 39 -0.001 -0.027 16.657 1.00 0.00 C ATOM 650 O TYR A 39 1.042 -0.554 16.266 1.00 0.00 O ATOM 651 CB TYR A 39 -0.570 1.813 18.338 1.00 0.00 C ATOM 652 CG TYR A 39 -0.073 2.682 17.207 1.00 0.00 C ATOM 653 CD1 TYR A 39 1.290 2.963 17.087 1.00 0.00 C ATOM 654 CD2 TYR A 39 -0.982 3.207 16.278 1.00 0.00 C ATOM 655 CE1 TYR A 39 1.749 3.766 16.042 1.00 0.00 C ATOM 656 CE2 TYR A 39 -0.519 4.014 15.231 1.00 0.00 C ATOM 657 CZ TYR A 39 0.849 4.292 15.115 1.00 0.00 C ATOM 658 OH TYR A 39 1.307 5.088 14.086 1.00 0.00 O ATOM 0 H TYR A 39 1.846 0.763 18.627 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.945 -0.256 18.580 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.656 1.878 18.400 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.174 2.181 19.284 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.989 2.558 17.804 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.036 2.990 16.369 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.803 3.981 15.951 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.216 4.422 14.514 1.00 0.00 H new ATOM 0 HH TYR A 39 0.551 5.371 13.530 1.00 0.00 H new ATOM 668 N ASN A 40 -1.029 0.152 15.848 1.00 0.00 N ATOM 669 CA ASN A 40 -0.904 -0.258 14.450 1.00 0.00 C ATOM 670 C ASN A 40 0.243 0.515 13.799 1.00 0.00 C ATOM 671 O ASN A 40 0.476 1.670 14.131 1.00 0.00 O ATOM 672 CB ASN A 40 -2.195 0.011 13.674 1.00 0.00 C ATOM 673 CG ASN A 40 -1.985 -0.359 12.211 1.00 0.00 C ATOM 674 OD1 ASN A 40 -1.369 0.461 11.412 1.00 0.00 O flip ATOM 675 ND2 ASN A 40 -2.380 -1.452 11.788 1.00 0.00 N flip ATOM 0 H ASN A 40 -1.926 0.560 16.112 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.705 -1.329 14.424 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.015 -0.571 14.095 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.473 1.061 13.760 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.863 -2.096 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.222 -1.709 10.814 1.00 0.00 H new ATOM 682 N PRO A 41 0.999 -0.109 12.929 1.00 0.00 N ATOM 683 CA PRO A 41 2.188 0.579 12.338 1.00 0.00 C ATOM 684 C PRO A 41 1.801 1.879 11.644 1.00 0.00 C ATOM 685 O PRO A 41 0.742 1.975 11.011 1.00 0.00 O ATOM 686 CB PRO A 41 2.726 -0.433 11.324 1.00 0.00 C ATOM 687 CG PRO A 41 2.245 -1.751 11.825 1.00 0.00 C ATOM 688 CD PRO A 41 0.858 -1.483 12.389 1.00 0.00 C ATOM 0 HA PRO A 41 2.919 0.860 13.096 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.351 -0.228 10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.814 -0.401 11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.208 -2.487 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.911 -2.148 12.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.088 -1.541 11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.589 -2.200 13.165 1.00 0.00 H new ATOM 696 N SER A 42 2.658 2.869 11.766 1.00 0.00 N ATOM 697 CA SER A 42 2.423 4.159 11.156 1.00 0.00 C ATOM 698 C SER A 42 2.523 4.059 9.642 1.00 0.00 C ATOM 699 O SER A 42 3.102 3.104 9.099 1.00 0.00 O ATOM 700 CB SER A 42 3.420 5.204 11.691 1.00 0.00 C ATOM 701 OG SER A 42 3.404 6.375 10.862 1.00 0.00 O ATOM 0 H SER A 42 3.532 2.803 12.288 1.00 0.00 H new ATOM 0 HA SER A 42 1.415 4.481 11.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.162 5.472 12.716 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.424 4.780 11.715 1.00 0.00 H new ATOM 0 HG SER A 42 4.040 7.033 11.213 1.00 0.00 H new ATOM 707 N LEU A 43 2.049 5.087 8.985 1.00 0.00 N ATOM 708 CA LEU A 43 2.120 5.191 7.544 1.00 0.00 C ATOM 709 C LEU A 43 3.590 5.207 7.139 1.00 0.00 C ATOM 710 O LEU A 43 3.996 4.550 6.181 1.00 0.00 O ATOM 711 CB LEU A 43 1.424 6.489 7.092 1.00 0.00 C ATOM 712 CG LEU A 43 1.387 6.585 5.562 1.00 0.00 C ATOM 713 CD1 LEU A 43 0.591 5.405 4.992 1.00 0.00 C ATOM 714 CD2 LEU A 43 0.709 7.895 5.157 1.00 0.00 C ATOM 0 H LEU A 43 1.599 5.883 9.436 1.00 0.00 H new ATOM 0 HA LEU A 43 1.619 4.346 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.409 6.519 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.951 7.351 7.502 1.00 0.00 H new ATOM 0 HG LEU A 43 2.404 6.559 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.566 5.475 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.068 4.469 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.427 5.431 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.680 7.969 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.308 7.915 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.271 8.736 5.563 1.00 0.00 H new ATOM 726 N GLN A 44 4.391 5.911 7.926 1.00 0.00 N ATOM 727 CA GLN A 44 5.824 5.996 7.688 1.00 0.00 C ATOM 728 C GLN A 44 6.420 4.589 7.638 1.00 0.00 C ATOM 729 O GLN A 44 7.114 4.229 6.681 1.00 0.00 O ATOM 730 CB GLN A 44 6.473 6.778 8.840 1.00 0.00 C ATOM 731 CG GLN A 44 5.975 8.228 8.829 1.00 0.00 C ATOM 732 CD GLN A 44 6.443 8.958 10.085 1.00 0.00 C ATOM 733 OE1 GLN A 44 6.740 8.322 11.101 1.00 0.00 O ATOM 734 NE2 GLN A 44 6.520 10.252 10.086 1.00 0.00 N ATOM 0 H GLN A 44 4.069 6.435 8.740 1.00 0.00 H new ATOM 0 HA GLN A 44 6.010 6.501 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.230 6.308 9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.558 6.756 8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.347 8.741 7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.887 8.246 8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.275 10.778 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.826 10.744 10.926 1.00 0.00 H new ATOM 743 N LEU A 45 6.056 3.761 8.607 1.00 0.00 N ATOM 744 CA LEU A 45 6.479 2.362 8.593 1.00 0.00 C ATOM 745 C LEU A 45 5.877 1.670 7.387 1.00 0.00 C ATOM 746 O LEU A 45 6.528 0.859 6.722 1.00 0.00 O ATOM 747 CB LEU A 45 6.069 1.636 9.883 1.00 0.00 C ATOM 748 CG LEU A 45 6.885 2.172 11.079 1.00 0.00 C ATOM 749 CD1 LEU A 45 6.341 1.574 12.378 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.358 1.767 10.930 1.00 0.00 C ATOM 0 H LEU A 45 5.477 4.025 9.404 1.00 0.00 H new ATOM 0 HA LEU A 45 7.567 2.330 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.004 1.779 10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.232 0.564 9.773 1.00 0.00 H new ATOM 0 HG LEU A 45 6.803 3.259 11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.917 1.953 13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.295 1.855 12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.423 0.488 12.341 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.928 2.149 11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.435 0.680 10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.758 2.184 10.006 1.00 0.00 H new ATOM 762 N ALA A 46 4.627 1.996 7.107 1.00 0.00 N ATOM 763 CA ALA A 46 3.928 1.418 5.983 1.00 0.00 C ATOM 764 C ALA A 46 4.652 1.723 4.684 1.00 0.00 C ATOM 765 O ALA A 46 4.650 0.908 3.772 1.00 0.00 O ATOM 766 CB ALA A 46 2.485 1.929 5.911 1.00 0.00 C ATOM 0 H ALA A 46 4.077 2.662 7.649 1.00 0.00 H new ATOM 0 HA ALA A 46 3.906 0.338 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.982 1.478 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.958 1.660 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.488 3.013 5.800 1.00 0.00 H new ATOM 772 N LEU A 47 5.263 2.899 4.599 1.00 0.00 N ATOM 773 CA LEU A 47 5.946 3.300 3.373 1.00 0.00 C ATOM 774 C LEU A 47 7.077 2.336 3.045 1.00 0.00 C ATOM 775 O LEU A 47 7.187 1.873 1.908 1.00 0.00 O ATOM 776 CB LEU A 47 6.518 4.721 3.506 1.00 0.00 C ATOM 777 CG LEU A 47 5.380 5.752 3.536 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.940 7.130 3.900 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.711 5.827 2.157 1.00 0.00 C ATOM 0 H LEU A 47 5.300 3.584 5.353 1.00 0.00 H new ATOM 0 HA LEU A 47 5.212 3.282 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.112 4.798 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.187 4.931 2.671 1.00 0.00 H new ATOM 0 HG LEU A 47 4.645 5.448 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.129 7.858 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.411 7.084 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.679 7.430 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.904 6.560 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.448 6.125 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.305 4.850 1.896 1.00 0.00 H new ATOM 791 N LYS A 48 7.860 1.961 4.052 1.00 0.00 N ATOM 792 CA LYS A 48 8.908 0.966 3.843 1.00 0.00 C ATOM 793 C LYS A 48 8.285 -0.377 3.505 1.00 0.00 C ATOM 794 O LYS A 48 8.734 -1.085 2.608 1.00 0.00 O ATOM 795 CB LYS A 48 9.760 0.818 5.112 1.00 0.00 C ATOM 796 CG LYS A 48 10.615 2.071 5.323 1.00 0.00 C ATOM 797 CD LYS A 48 11.433 1.927 6.613 1.00 0.00 C ATOM 798 CE LYS A 48 12.298 3.176 6.808 1.00 0.00 C ATOM 799 NZ LYS A 48 13.350 3.200 5.763 1.00 0.00 N ATOM 0 H LYS A 48 7.792 2.322 5.003 1.00 0.00 H new ATOM 0 HA LYS A 48 9.540 1.296 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.115 0.659 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.402 -0.059 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.281 2.216 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.977 2.953 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.767 1.795 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.063 1.039 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.683 4.074 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.751 3.169 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.111 3.848 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.738 2.243 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.940 3.526 4.865 1.00 0.00 H new ATOM 813 N ILE A 49 7.275 -0.729 4.263 1.00 0.00 N ATOM 814 CA ILE A 49 6.582 -1.990 4.101 1.00 0.00 C ATOM 815 C ILE A 49 5.841 -2.059 2.754 1.00 0.00 C ATOM 816 O ILE A 49 5.820 -3.102 2.086 1.00 0.00 O ATOM 817 CB ILE A 49 5.667 -2.248 5.316 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.560 -2.464 6.556 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.837 -3.510 5.085 1.00 0.00 C ATOM 820 CD1 ILE A 49 5.716 -2.480 7.833 1.00 0.00 C ATOM 0 H ILE A 49 6.906 -0.147 5.015 1.00 0.00 H new ATOM 0 HA ILE A 49 7.313 -2.798 4.071 1.00 0.00 H new ATOM 0 HB ILE A 49 4.999 -1.399 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.102 -3.405 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.305 -1.671 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.194 -3.685 5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.223 -3.383 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.502 -4.363 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.364 -2.633 8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.194 -1.529 7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.988 -3.289 7.778 1.00 0.00 H new ATOM 832 N ALA A 50 5.188 -0.960 2.397 1.00 0.00 N ATOM 833 CA ALA A 50 4.364 -0.877 1.190 1.00 0.00 C ATOM 834 C ALA A 50 5.102 -1.364 -0.040 1.00 0.00 C ATOM 835 O ALA A 50 4.479 -1.827 -1.000 1.00 0.00 O ATOM 836 CB ALA A 50 3.891 0.562 0.964 1.00 0.00 C ATOM 0 H ALA A 50 5.213 -0.095 2.937 1.00 0.00 H new ATOM 0 HA ALA A 50 3.504 -1.528 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.280 0.607 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.301 0.890 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.756 1.215 0.849 1.00 0.00 H new ATOM 842 N TYR A 51 6.420 -1.259 -0.031 1.00 0.00 N ATOM 843 CA TYR A 51 7.186 -1.719 -1.173 1.00 0.00 C ATOM 844 C TYR A 51 6.908 -3.199 -1.392 1.00 0.00 C ATOM 845 O TYR A 51 6.512 -3.606 -2.487 1.00 0.00 O ATOM 846 CB TYR A 51 8.691 -1.481 -0.959 1.00 0.00 C ATOM 847 CG TYR A 51 8.974 0.012 -0.936 1.00 0.00 C ATOM 848 CD1 TYR A 51 8.588 0.823 -2.011 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.619 0.582 0.166 1.00 0.00 C ATOM 850 CE1 TYR A 51 8.853 2.197 -1.977 1.00 0.00 C ATOM 851 CE2 TYR A 51 9.883 1.951 0.198 1.00 0.00 C ATOM 852 CZ TYR A 51 9.502 2.759 -0.872 1.00 0.00 C ATOM 853 OH TYR A 51 9.772 4.113 -0.839 1.00 0.00 O ATOM 0 H TYR A 51 6.970 -0.869 0.735 1.00 0.00 H new ATOM 0 HA TYR A 51 6.885 -1.155 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.012 -1.936 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.262 -1.957 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.087 0.389 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.914 -0.041 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.556 2.824 -2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.382 2.385 1.052 1.00 0.00 H new ATOM 0 HH TYR A 51 10.226 4.336 0.001 1.00 0.00 H new ATOM 863 N TYR A 52 6.957 -3.974 -0.309 1.00 0.00 N ATOM 864 CA TYR A 52 6.530 -5.374 -0.351 1.00 0.00 C ATOM 865 C TYR A 52 5.019 -5.439 -0.311 1.00 0.00 C ATOM 866 O TYR A 52 4.377 -6.130 -1.119 1.00 0.00 O ATOM 867 CB TYR A 52 7.119 -6.154 0.827 1.00 0.00 C ATOM 868 CG TYR A 52 8.502 -6.669 0.472 1.00 0.00 C ATOM 869 CD1 TYR A 52 9.386 -5.872 -0.274 1.00 0.00 C ATOM 870 CD2 TYR A 52 8.899 -7.950 0.894 1.00 0.00 C ATOM 871 CE1 TYR A 52 10.656 -6.357 -0.591 1.00 0.00 C ATOM 872 CE2 TYR A 52 10.172 -8.432 0.575 1.00 0.00 C ATOM 873 CZ TYR A 52 11.049 -7.635 -0.167 1.00 0.00 C ATOM 874 OH TYR A 52 12.300 -8.106 -0.485 1.00 0.00 O ATOM 0 H TYR A 52 7.286 -3.659 0.604 1.00 0.00 H new ATOM 0 HA TYR A 52 6.891 -5.826 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.176 -5.512 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.466 -6.989 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.084 -4.888 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.219 -8.563 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.338 -5.747 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.477 -9.416 0.900 1.00 0.00 H new ATOM 0 HH TYR A 52 12.414 -9.006 -0.115 1.00 0.00 H new ATOM 884 N LEU A 53 4.440 -4.657 0.590 1.00 0.00 N ATOM 885 CA LEU A 53 2.998 -4.586 0.708 1.00 0.00 C ATOM 886 C LEU A 53 2.420 -3.866 -0.489 1.00 0.00 C ATOM 887 O LEU A 53 1.792 -2.821 -0.358 1.00 0.00 O ATOM 888 CB LEU A 53 2.585 -3.891 2.022 1.00 0.00 C ATOM 889 CG LEU A 53 2.462 -4.929 3.153 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.246 -5.831 2.919 1.00 0.00 C ATOM 891 CD2 LEU A 53 3.731 -5.782 3.224 1.00 0.00 C ATOM 0 H LEU A 53 4.949 -4.066 1.247 1.00 0.00 H new ATOM 0 HA LEU A 53 2.599 -5.600 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.323 -3.135 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.635 -3.375 1.886 1.00 0.00 H new ATOM 0 HG LEU A 53 2.333 -4.399 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.172 -6.559 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.341 -5.223 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.358 -6.353 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.634 -6.513 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.874 -6.301 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.590 -5.140 3.419 1.00 0.00 H new ATOM 903 N ASN A 54 2.668 -4.416 -1.672 1.00 0.00 N ATOM 904 CA ASN A 54 2.192 -3.809 -2.900 1.00 0.00 C ATOM 905 C ASN A 54 0.681 -3.813 -2.910 1.00 0.00 C ATOM 906 O ASN A 54 0.047 -4.778 -3.344 1.00 0.00 O ATOM 907 CB ASN A 54 2.718 -4.569 -4.115 1.00 0.00 C ATOM 908 CG ASN A 54 2.342 -3.832 -5.387 1.00 0.00 C ATOM 909 OD1 ASN A 54 2.648 -2.641 -5.525 1.00 0.00 O ATOM 910 ND2 ASN A 54 1.692 -4.453 -6.325 1.00 0.00 N ATOM 0 H ASN A 54 3.195 -5.279 -1.802 1.00 0.00 H new ATOM 0 HA ASN A 54 2.557 -2.783 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.801 -4.671 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.303 -5.577 -4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.432 -3.959 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.441 -5.435 -6.208 1.00 0.00 H new ATOM 917 N THR A 55 0.127 -2.805 -2.306 1.00 0.00 N ATOM 918 CA THR A 55 -1.295 -2.658 -2.141 1.00 0.00 C ATOM 919 C THR A 55 -1.554 -1.218 -1.755 1.00 0.00 C ATOM 920 O THR A 55 -0.951 -0.719 -0.800 1.00 0.00 O ATOM 921 CB THR A 55 -1.786 -3.610 -1.038 1.00 0.00 C ATOM 922 OG1 THR A 55 -1.446 -4.960 -1.386 1.00 0.00 O ATOM 923 CG2 THR A 55 -3.311 -3.490 -0.868 1.00 0.00 C ATOM 0 H THR A 55 0.664 -2.038 -1.901 1.00 0.00 H new ATOM 0 HA THR A 55 -1.828 -2.905 -3.059 1.00 0.00 H new ATOM 0 HB THR A 55 -1.305 -3.340 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.255 -5.012 -2.346 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.644 -4.170 -0.084 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.567 -2.467 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.803 -3.749 -1.806 1.00 0.00 H new ATOM 931 N PRO A 56 -2.304 -0.498 -2.534 1.00 0.00 N ATOM 932 CA PRO A 56 -2.459 0.957 -2.273 1.00 0.00 C ATOM 933 C PRO A 56 -2.956 1.224 -0.860 1.00 0.00 C ATOM 934 O PRO A 56 -3.986 0.689 -0.432 1.00 0.00 O ATOM 935 CB PRO A 56 -3.504 1.392 -3.303 1.00 0.00 C ATOM 936 CG PRO A 56 -3.335 0.434 -4.429 1.00 0.00 C ATOM 937 CD PRO A 56 -2.942 -0.896 -3.804 1.00 0.00 C ATOM 0 HA PRO A 56 -1.516 1.498 -2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.512 1.346 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.339 2.419 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.259 0.338 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.568 0.780 -5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.810 -1.534 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.256 -1.453 -4.442 1.00 0.00 H new ATOM 945 N LEU A 57 -2.295 2.151 -0.196 1.00 0.00 N ATOM 946 CA LEU A 57 -2.702 2.591 1.123 1.00 0.00 C ATOM 947 C LEU A 57 -4.073 3.223 1.006 1.00 0.00 C ATOM 948 O LEU A 57 -4.955 2.995 1.827 1.00 0.00 O ATOM 949 CB LEU A 57 -1.682 3.599 1.665 1.00 0.00 C ATOM 950 CG LEU A 57 -0.355 2.863 1.948 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.780 3.872 2.152 1.00 0.00 C ATOM 952 CD2 LEU A 57 -0.498 2.005 3.216 1.00 0.00 C ATOM 0 H LEU A 57 -1.463 2.619 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.747 1.750 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.523 4.400 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.058 4.063 2.577 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.121 2.227 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.710 3.339 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.894 4.478 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.545 4.518 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.441 1.487 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.743 2.646 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.293 1.273 3.072 1.00 0.00 H new ATOM 964 N GLU A 58 -4.255 3.967 -0.065 1.00 0.00 N ATOM 965 CA GLU A 58 -5.516 4.605 -0.342 1.00 0.00 C ATOM 966 C GLU A 58 -6.617 3.558 -0.478 1.00 0.00 C ATOM 967 O GLU A 58 -7.705 3.723 0.080 1.00 0.00 O ATOM 968 CB GLU A 58 -5.416 5.428 -1.631 1.00 0.00 C ATOM 969 CG GLU A 58 -4.307 6.483 -1.493 1.00 0.00 C ATOM 970 CD GLU A 58 -2.979 5.946 -2.007 1.00 0.00 C ATOM 971 OE1 GLU A 58 -2.439 5.046 -1.398 1.00 0.00 O ATOM 972 OE2 GLU A 58 -2.509 6.453 -2.997 1.00 0.00 O ATOM 0 H GLU A 58 -3.533 4.143 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.762 5.270 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.203 4.773 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.369 5.915 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.581 7.379 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.206 6.775 -0.448 1.00 0.00 H new ATOM 979 N ASP A 59 -6.309 2.446 -1.151 1.00 0.00 N ATOM 980 CA ASP A 59 -7.279 1.357 -1.268 1.00 0.00 C ATOM 981 C ASP A 59 -7.577 0.799 0.106 1.00 0.00 C ATOM 982 O ASP A 59 -8.720 0.523 0.436 1.00 0.00 O ATOM 983 CB ASP A 59 -6.770 0.213 -2.163 1.00 0.00 C ATOM 984 CG ASP A 59 -7.038 0.476 -3.642 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.698 1.443 -3.956 1.00 0.00 O ATOM 986 OD2 ASP A 59 -6.576 -0.305 -4.444 1.00 0.00 O ATOM 0 H ASP A 59 -5.415 2.278 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.177 1.772 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.699 0.081 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.252 -0.719 -1.868 1.00 0.00 H new ATOM 991 N ILE A 60 -6.537 0.624 0.909 1.00 0.00 N ATOM 992 CA ILE A 60 -6.729 0.083 2.241 1.00 0.00 C ATOM 993 C ILE A 60 -7.492 1.075 3.106 1.00 0.00 C ATOM 994 O ILE A 60 -8.350 0.692 3.901 1.00 0.00 O ATOM 995 CB ILE A 60 -5.396 -0.390 2.887 1.00 0.00 C ATOM 996 CG1 ILE A 60 -5.687 -1.580 3.812 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.719 0.734 3.704 1.00 0.00 C ATOM 998 CD1 ILE A 60 -4.416 -1.981 4.553 1.00 0.00 C ATOM 0 H ILE A 60 -5.571 0.844 0.666 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.338 -0.817 2.159 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.715 -0.677 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.467 -1.315 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.061 -2.422 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.791 0.360 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.500 1.578 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.388 1.058 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.628 -2.826 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.649 -2.264 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.062 -1.140 5.149 1.00 0.00 H new ATOM 1010 N PHE A 61 -7.224 2.359 2.897 1.00 0.00 N ATOM 1011 CA PHE A 61 -7.920 3.415 3.626 1.00 0.00 C ATOM 1012 C PHE A 61 -9.389 3.502 3.202 1.00 0.00 C ATOM 1013 O PHE A 61 -10.064 4.506 3.473 1.00 0.00 O ATOM 1014 CB PHE A 61 -7.231 4.776 3.428 1.00 0.00 C ATOM 1015 CG PHE A 61 -6.011 4.895 4.327 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -6.153 4.797 5.718 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -4.745 5.119 3.773 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -5.033 4.917 6.545 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -3.626 5.242 4.604 1.00 0.00 C ATOM 1020 CZ PHE A 61 -3.770 5.138 5.990 1.00 0.00 C ATOM 0 H PHE A 61 -6.530 2.695 2.229 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.880 3.160 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.934 4.891 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.932 5.580 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.128 4.629 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.632 5.197 2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.144 4.839 7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.651 5.417 4.174 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.906 5.228 6.632 1.00 0.00 H new