USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 469 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 21 ASN :FLIP amide:sc= -2.38! C(o=-9.3!,f=-4.1!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.68! C(o=-4.1!,f=-11!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.175 K(o=-0.14,f=-1.8) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.0362 K(o=-0.14,f=-1.7!) USER MOD Single : A 1 VAL N :NH3+ 147:sc= -0.467 (180deg=-0.807) USER MOD Single : A 3 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.51) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0784 X(o=-0.078,f=-0.2) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -0.199 (180deg=-0.887) USER MOD Single : A 17 MET CE :methyl 166:sc= -9.92! (180deg=-10.1!) USER MOD Single : A 23 ASN : amide:sc= -1.24 K(o=-1.2,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.233 F(o=-1.2,f=-0.23) USER MOD Single : A 32 ASN : amide:sc= -0.275 K(o=-0.27,f=-3.9!) USER MOD Single : A 33 SER OG : rot 65:sc= 0.9 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -84:sc= -0.355 USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.446 (180deg=0.0806) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= -2.45! (180deg=-2.84) USER MOD Single : A 55 GLN : amide:sc= -4.61! C(o=-4.6!,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.772 -11.536 17.857 1.00 0.00 N ATOM 2 CA VAL A 1 0.609 -12.333 16.607 1.00 0.00 C ATOM 3 C VAL A 1 -0.870 -12.661 16.403 1.00 0.00 C ATOM 4 O VAL A 1 -1.623 -12.795 17.370 1.00 0.00 O ATOM 5 CB VAL A 1 1.435 -13.631 16.698 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.932 -13.299 16.622 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.141 -14.358 18.021 1.00 0.00 C ATOM 0 H1 VAL A 1 1.683 -11.769 18.301 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.748 -10.522 17.628 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.001 -11.761 18.515 1.00 0.00 H new ATOM 0 HA VAL A 1 0.968 -11.752 15.757 1.00 0.00 H new ATOM 0 HB VAL A 1 1.160 -14.279 15.866 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.513 -14.219 16.687 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.147 -12.800 15.677 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.201 -12.641 17.448 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.731 -15.273 18.072 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.402 -13.710 18.858 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.081 -14.606 18.072 1.00 0.00 H new ATOM 19 N ASP A 2 -1.272 -12.786 15.139 1.00 0.00 N ATOM 20 CA ASP A 2 -2.661 -13.097 14.799 1.00 0.00 C ATOM 21 C ASP A 2 -2.752 -13.627 13.370 1.00 0.00 C ATOM 22 O ASP A 2 -3.292 -14.709 13.130 1.00 0.00 O ATOM 23 CB ASP A 2 -3.537 -11.839 14.949 1.00 0.00 C ATOM 24 CG ASP A 2 -2.910 -10.651 14.209 1.00 0.00 C ATOM 25 OD1 ASP A 2 -1.996 -10.052 14.754 1.00 0.00 O ATOM 26 OD2 ASP A 2 -3.349 -10.363 13.106 1.00 0.00 O ATOM 0 H ASP A 2 -0.656 -12.677 14.333 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.022 -13.866 15.482 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.534 -12.035 14.554 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.654 -11.595 16.005 1.00 0.00 H new ATOM 31 N ASN A 3 -2.219 -12.847 12.429 1.00 0.00 N ATOM 32 CA ASN A 3 -2.227 -13.212 11.014 1.00 0.00 C ATOM 33 C ASN A 3 -0.963 -12.695 10.336 1.00 0.00 C ATOM 34 O ASN A 3 -0.231 -11.884 10.911 1.00 0.00 O ATOM 35 CB ASN A 3 -3.457 -12.607 10.324 1.00 0.00 C ATOM 36 CG ASN A 3 -4.736 -13.067 11.019 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.235 -14.158 10.745 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.292 -12.300 11.915 1.00 0.00 N ATOM 0 H ASN A 3 -1.773 -11.951 12.625 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.263 -14.298 10.932 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.395 -11.519 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.478 -12.905 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.142 -12.604 12.390 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.877 -11.396 12.141 1.00 0.00 H new ATOM 45 N LYS A 4 -0.718 -13.151 9.107 1.00 0.00 N ATOM 46 CA LYS A 4 0.460 -12.708 8.357 1.00 0.00 C ATOM 47 C LYS A 4 0.205 -11.341 7.737 1.00 0.00 C ATOM 48 O LYS A 4 1.055 -10.798 7.029 1.00 0.00 O ATOM 49 CB LYS A 4 0.808 -13.711 7.252 1.00 0.00 C ATOM 50 CG LYS A 4 1.102 -15.087 7.868 1.00 0.00 C ATOM 51 CD LYS A 4 1.577 -16.053 6.776 1.00 0.00 C ATOM 52 CE LYS A 4 1.762 -17.454 7.367 1.00 0.00 C ATOM 53 NZ LYS A 4 2.297 -18.368 6.319 1.00 0.00 N ATOM 0 H LYS A 4 -1.311 -13.819 8.614 1.00 0.00 H new ATOM 0 HA LYS A 4 1.298 -12.642 9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.019 -13.788 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.675 -13.361 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.865 -14.994 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.206 -15.479 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.851 -16.084 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.517 -15.701 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.446 -17.415 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.810 -17.831 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.423 -19.319 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.629 -18.413 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.213 -18.010 5.981 1.00 0.00 H new ATOM 67 N PHE A 5 -0.978 -10.805 8.012 1.00 0.00 N ATOM 68 CA PHE A 5 -1.382 -9.511 7.490 1.00 0.00 C ATOM 69 C PHE A 5 -0.383 -8.426 7.827 1.00 0.00 C ATOM 70 O PHE A 5 0.087 -7.717 6.948 1.00 0.00 O ATOM 71 CB PHE A 5 -2.687 -9.082 8.152 1.00 0.00 C ATOM 72 CG PHE A 5 -3.891 -9.706 7.501 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.910 -11.074 7.189 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.005 -8.904 7.224 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.052 -11.630 6.594 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.139 -9.459 6.634 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.165 -10.817 6.317 1.00 0.00 C ATOM 0 H PHE A 5 -1.679 -11.255 8.601 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.470 -9.626 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.664 -9.357 9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.775 -7.996 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.052 -11.694 7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.985 -7.852 7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.076 -12.682 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.997 -8.838 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.043 -11.245 5.857 1.00 0.00 H new ATOM 87 N ASN A 6 -0.112 -8.279 9.121 1.00 0.00 N ATOM 88 CA ASN A 6 0.778 -7.231 9.595 1.00 0.00 C ATOM 89 C ASN A 6 2.128 -7.289 8.910 1.00 0.00 C ATOM 90 O ASN A 6 2.608 -6.278 8.426 1.00 0.00 O ATOM 91 CB ASN A 6 0.980 -7.376 11.098 1.00 0.00 C ATOM 92 CG ASN A 6 -0.365 -7.334 11.824 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.187 -6.453 11.565 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.644 -8.244 12.716 1.00 0.00 N ATOM 0 H ASN A 6 -0.496 -8.872 9.856 1.00 0.00 H new ATOM 0 HA ASN A 6 0.316 -6.272 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.488 -8.316 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.623 -6.575 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.542 -8.226 13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.036 -8.973 12.931 1.00 0.00 H new ATOM 101 N LYS A 7 2.719 -8.477 8.845 1.00 0.00 N ATOM 102 CA LYS A 7 4.013 -8.637 8.193 1.00 0.00 C ATOM 103 C LYS A 7 3.923 -8.238 6.729 1.00 0.00 C ATOM 104 O LYS A 7 4.798 -7.542 6.217 1.00 0.00 O ATOM 105 CB LYS A 7 4.486 -10.090 8.343 1.00 0.00 C ATOM 106 CG LYS A 7 5.644 -10.420 7.374 1.00 0.00 C ATOM 107 CD LYS A 7 6.846 -9.480 7.592 1.00 0.00 C ATOM 108 CE LYS A 7 7.520 -9.764 8.937 1.00 0.00 C ATOM 109 NZ LYS A 7 7.915 -11.201 9.013 1.00 0.00 N ATOM 0 H LYS A 7 2.327 -9.336 9.232 1.00 0.00 H new ATOM 0 HA LYS A 7 4.742 -7.982 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.811 -10.262 9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.651 -10.765 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.958 -11.454 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.295 -10.334 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.566 -9.610 6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.513 -8.443 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.398 -9.130 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.840 -9.521 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.672 -11.316 9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.093 -11.773 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.256 -11.517 8.083 1.00 0.00 H new ATOM 123 N GLU A 8 2.852 -8.657 6.069 1.00 0.00 N ATOM 124 CA GLU A 8 2.655 -8.321 4.669 1.00 0.00 C ATOM 125 C GLU A 8 2.390 -6.827 4.543 1.00 0.00 C ATOM 126 O GLU A 8 2.810 -6.177 3.586 1.00 0.00 O ATOM 127 CB GLU A 8 1.453 -9.116 4.144 1.00 0.00 C ATOM 128 CG GLU A 8 1.754 -9.683 2.753 1.00 0.00 C ATOM 129 CD GLU A 8 2.785 -10.820 2.828 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.802 -11.537 3.820 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.539 -10.966 1.879 1.00 0.00 O ATOM 0 H GLU A 8 2.112 -9.226 6.479 1.00 0.00 H new ATOM 0 HA GLU A 8 3.543 -8.571 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.218 -9.928 4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.575 -8.472 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.834 -10.052 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.130 -8.889 2.107 1.00 0.00 H new ATOM 138 N ARG A 9 1.674 -6.317 5.538 1.00 0.00 N ATOM 139 CA ARG A 9 1.296 -4.923 5.616 1.00 0.00 C ATOM 140 C ARG A 9 2.457 -4.014 5.977 1.00 0.00 C ATOM 141 O ARG A 9 2.490 -2.895 5.521 1.00 0.00 O ATOM 142 CB ARG A 9 0.158 -4.747 6.625 1.00 0.00 C ATOM 143 CG ARG A 9 -1.151 -5.231 5.990 1.00 0.00 C ATOM 144 CD ARG A 9 -2.241 -5.371 7.051 1.00 0.00 C ATOM 145 NE ARG A 9 -2.538 -4.067 7.642 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.741 -3.516 7.538 1.00 0.00 C ATOM 147 NH1 ARG A 9 -4.035 -2.787 6.500 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.625 -3.702 8.476 1.00 0.00 N ATOM 0 H ARG A 9 1.337 -6.875 6.323 1.00 0.00 H new ATOM 0 HA ARG A 9 0.962 -4.628 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.368 -5.313 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.071 -3.700 6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.471 -4.527 5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.990 -6.190 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.143 -5.790 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.917 -6.065 7.827 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.804 -3.569 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.341 -2.640 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.959 -2.363 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.393 -4.271 9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.550 -3.279 8.397 1.00 0.00 H new ATOM 162 N VAL A 10 3.393 -4.484 6.805 1.00 0.00 N ATOM 163 CA VAL A 10 4.532 -3.642 7.205 1.00 0.00 C ATOM 164 C VAL A 10 5.341 -3.333 5.979 1.00 0.00 C ATOM 165 O VAL A 10 5.723 -2.195 5.699 1.00 0.00 O ATOM 166 CB VAL A 10 5.496 -4.345 8.181 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.557 -3.329 8.653 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.758 -4.925 9.390 1.00 0.00 C ATOM 0 H VAL A 10 3.391 -5.422 7.206 1.00 0.00 H new ATOM 0 HA VAL A 10 4.114 -2.761 7.693 1.00 0.00 H new ATOM 0 HB VAL A 10 5.970 -5.176 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.245 -3.816 9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.112 -2.956 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.065 -2.497 9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.473 -5.412 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.253 -4.122 9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.022 -5.654 9.052 1.00 0.00 H new ATOM 178 N ILE A 11 5.600 -4.400 5.271 1.00 0.00 N ATOM 179 CA ILE A 11 6.363 -4.354 4.066 1.00 0.00 C ATOM 180 C ILE A 11 5.651 -3.479 3.051 1.00 0.00 C ATOM 181 O ILE A 11 6.249 -2.612 2.428 1.00 0.00 O ATOM 182 CB ILE A 11 6.481 -5.789 3.549 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.204 -6.653 4.603 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.246 -5.814 2.228 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.054 -8.135 4.246 1.00 0.00 C ATOM 0 H ILE A 11 5.280 -5.335 5.524 1.00 0.00 H new ATOM 0 HA ILE A 11 7.353 -3.933 4.240 1.00 0.00 H new ATOM 0 HB ILE A 11 5.484 -6.193 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.259 -6.384 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.786 -6.463 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.323 -6.841 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.717 -5.212 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.246 -5.407 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.566 -8.743 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.997 -8.399 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.493 -8.319 3.265 1.00 0.00 H new ATOM 197 N ALA A 12 4.364 -3.746 2.903 1.00 0.00 N ATOM 198 CA ALA A 12 3.524 -3.037 1.957 1.00 0.00 C ATOM 199 C ALA A 12 3.225 -1.598 2.361 1.00 0.00 C ATOM 200 O ALA A 12 3.361 -0.691 1.544 1.00 0.00 O ATOM 201 CB ALA A 12 2.229 -3.794 1.849 1.00 0.00 C ATOM 0 H ALA A 12 3.873 -4.463 3.438 1.00 0.00 H new ATOM 0 HA ALA A 12 4.060 -2.983 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.570 -3.288 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.428 -4.807 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.750 -3.836 2.827 1.00 0.00 H new ATOM 207 N ILE A 13 2.829 -1.383 3.614 1.00 0.00 N ATOM 208 CA ILE A 13 2.543 -0.041 4.078 1.00 0.00 C ATOM 209 C ILE A 13 3.813 0.770 3.958 1.00 0.00 C ATOM 210 O ILE A 13 3.795 1.928 3.581 1.00 0.00 O ATOM 211 CB ILE A 13 2.058 -0.056 5.541 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.499 1.336 5.893 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.221 -0.429 6.486 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.893 1.741 7.312 1.00 0.00 C ATOM 0 H ILE A 13 2.702 -2.115 4.313 1.00 0.00 H new ATOM 0 HA ILE A 13 1.749 0.398 3.474 1.00 0.00 H new ATOM 0 HB ILE A 13 1.274 -0.803 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.875 2.073 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.413 1.330 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.865 -0.436 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.598 -1.418 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.022 0.303 6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.486 2.727 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.495 1.015 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.980 1.770 7.394 1.00 0.00 H new ATOM 226 N GLY A 14 4.918 0.109 4.262 1.00 0.00 N ATOM 227 CA GLY A 14 6.212 0.719 4.183 1.00 0.00 C ATOM 228 C GLY A 14 6.522 1.053 2.730 1.00 0.00 C ATOM 229 O GLY A 14 7.103 2.101 2.440 1.00 0.00 O ATOM 0 H GLY A 14 4.931 -0.864 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.238 1.624 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.970 0.045 4.583 1.00 0.00 H new ATOM 233 N GLU A 15 6.105 0.161 1.811 1.00 0.00 N ATOM 234 CA GLU A 15 6.332 0.398 0.391 1.00 0.00 C ATOM 235 C GLU A 15 5.450 1.539 -0.104 1.00 0.00 C ATOM 236 O GLU A 15 5.897 2.427 -0.830 1.00 0.00 O ATOM 237 CB GLU A 15 5.932 -0.844 -0.418 1.00 0.00 C ATOM 238 CG GLU A 15 6.894 -2.012 -0.183 1.00 0.00 C ATOM 239 CD GLU A 15 7.744 -2.253 -1.433 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.245 -2.872 -2.360 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.879 -1.806 -1.449 1.00 0.00 O ATOM 0 H GLU A 15 5.620 -0.709 2.029 1.00 0.00 H new ATOM 0 HA GLU A 15 7.388 0.635 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.921 -1.146 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.914 -0.596 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.539 -1.796 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.332 -2.913 0.063 1.00 0.00 H new ATOM 248 N ILE A 16 4.178 1.468 0.278 1.00 0.00 N ATOM 249 CA ILE A 16 3.188 2.447 -0.130 1.00 0.00 C ATOM 250 C ILE A 16 3.376 3.812 0.534 1.00 0.00 C ATOM 251 O ILE A 16 3.208 4.852 -0.102 1.00 0.00 O ATOM 252 CB ILE A 16 1.797 1.847 0.091 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.606 0.813 -1.021 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.666 2.898 0.027 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.437 -0.096 -0.712 1.00 0.00 C ATOM 0 H ILE A 16 3.810 0.730 0.878 1.00 0.00 H new ATOM 0 HA ILE A 16 3.316 2.662 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 16 1.740 1.413 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.437 1.320 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.514 0.220 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.294 2.409 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.826 3.652 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.667 3.375 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.319 -0.823 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.621 -0.619 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.473 0.498 -0.624 1.00 0.00 H new ATOM 267 N MET A 17 3.716 3.806 1.813 1.00 0.00 N ATOM 268 CA MET A 17 3.924 5.049 2.550 1.00 0.00 C ATOM 269 C MET A 17 5.134 5.808 1.993 1.00 0.00 C ATOM 270 O MET A 17 5.254 7.021 2.181 1.00 0.00 O ATOM 271 CB MET A 17 4.098 4.748 4.047 1.00 0.00 C ATOM 272 CG MET A 17 2.740 4.344 4.651 1.00 0.00 C ATOM 273 SD MET A 17 1.611 5.757 4.705 1.00 0.00 S ATOM 274 CE MET A 17 0.066 4.801 4.680 1.00 0.00 C ATOM 0 H MET A 17 3.854 2.959 2.364 1.00 0.00 H new ATOM 0 HA MET A 17 3.048 5.686 2.428 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.823 3.946 4.186 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.491 5.625 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.298 3.543 4.059 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.887 3.952 5.658 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.767 5.448 4.955 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.099 4.403 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.136 3.978 5.391 1.00 0.00 H new ATOM 284 N ARG A 18 6.015 5.086 1.289 1.00 0.00 N ATOM 285 CA ARG A 18 7.204 5.681 0.682 1.00 0.00 C ATOM 286 C ARG A 18 6.809 6.594 -0.476 1.00 0.00 C ATOM 287 O ARG A 18 7.443 7.623 -0.716 1.00 0.00 O ATOM 288 CB ARG A 18 8.120 4.562 0.170 1.00 0.00 C ATOM 289 CG ARG A 18 9.366 5.149 -0.506 1.00 0.00 C ATOM 290 CD ARG A 18 10.217 4.010 -1.068 1.00 0.00 C ATOM 291 NE ARG A 18 11.460 4.535 -1.626 1.00 0.00 N ATOM 292 CZ ARG A 18 12.342 3.737 -2.215 1.00 0.00 C ATOM 293 NH1 ARG A 18 13.243 3.124 -1.502 1.00 0.00 N ATOM 294 NH2 ARG A 18 12.306 3.566 -3.505 1.00 0.00 N ATOM 0 H ARG A 18 5.922 4.083 1.127 1.00 0.00 H new ATOM 0 HA ARG A 18 7.729 6.276 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.418 3.921 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.577 3.936 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.074 5.829 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.944 5.731 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.439 3.290 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.661 3.477 -1.839 1.00 0.00 H new ATOM 0 HE ARG A 18 11.654 5.534 -1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.271 3.257 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.921 2.511 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.600 4.045 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.984 2.953 -3.957 1.00 0.00 H new ATOM 308 N LEU A 19 5.767 6.173 -1.192 1.00 0.00 N ATOM 309 CA LEU A 19 5.254 6.891 -2.355 1.00 0.00 C ATOM 310 C LEU A 19 5.124 8.398 -2.092 1.00 0.00 C ATOM 311 O LEU A 19 4.224 8.836 -1.373 1.00 0.00 O ATOM 312 CB LEU A 19 3.902 6.281 -2.729 1.00 0.00 C ATOM 313 CG LEU A 19 4.058 4.751 -2.845 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.711 4.084 -3.131 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.063 4.435 -3.954 1.00 0.00 C ATOM 0 H LEU A 19 5.253 5.318 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 19 5.958 6.787 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.156 6.527 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.549 6.696 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 19 4.425 4.355 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.848 3.005 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.016 4.304 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.307 4.466 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.179 3.355 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.701 4.840 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.026 4.885 -3.712 1.00 0.00 H new ATOM 327 N PRO A 20 6.031 9.194 -2.643 1.00 0.00 N ATOM 328 CA PRO A 20 6.044 10.675 -2.447 1.00 0.00 C ATOM 329 C PRO A 20 4.991 11.424 -3.266 1.00 0.00 C ATOM 330 O PRO A 20 4.792 12.622 -3.048 1.00 0.00 O ATOM 331 CB PRO A 20 7.447 11.114 -2.905 1.00 0.00 C ATOM 332 CG PRO A 20 8.169 9.886 -3.367 1.00 0.00 C ATOM 333 CD PRO A 20 7.142 8.769 -3.510 1.00 0.00 C ATOM 0 HA PRO A 20 5.813 10.909 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.377 11.845 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.986 11.592 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.667 10.071 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.942 9.605 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.819 8.654 -4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.550 7.809 -3.194 1.00 0.00 H new ATOM 341 N ASN A 21 4.339 10.750 -4.222 1.00 0.00 N ATOM 342 CA ASN A 21 3.347 11.441 -5.056 1.00 0.00 C ATOM 343 C ASN A 21 1.962 11.378 -4.447 1.00 0.00 C ATOM 344 O ASN A 21 1.364 12.410 -4.140 1.00 0.00 O ATOM 345 CB ASN A 21 3.333 10.851 -6.478 1.00 0.00 C ATOM 346 CG ASN A 21 4.423 11.517 -7.306 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.411 10.806 -7.742 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 4.376 12.724 -7.548 1.00 0.00 N flip ATOM 0 H ASN A 21 4.473 9.761 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 21 3.638 12.490 -5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.496 9.774 -6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.359 11.010 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.596 13.283 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.117 13.164 -8.093 1.00 0.00 H new ATOM 355 N LEU A 22 1.466 10.161 -4.296 1.00 0.00 N ATOM 356 CA LEU A 22 0.133 9.909 -3.751 1.00 0.00 C ATOM 357 C LEU A 22 -0.232 10.812 -2.593 1.00 0.00 C ATOM 358 O LEU A 22 0.617 11.199 -1.785 1.00 0.00 O ATOM 359 CB LEU A 22 0.069 8.475 -3.250 1.00 0.00 C ATOM 360 CG LEU A 22 0.209 7.530 -4.430 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.732 6.193 -3.936 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.154 7.342 -5.081 1.00 0.00 C ATOM 0 H LEU A 22 1.975 9.314 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.571 10.104 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.864 8.294 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.876 8.298 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 22 0.905 7.943 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.835 5.509 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.704 6.335 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.033 5.774 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.062 6.664 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.849 6.921 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.529 8.306 -5.426 1.00 0.00 H new ATOM 374 N ASN A 23 -1.529 11.061 -2.482 1.00 0.00 N ATOM 375 CA ASN A 23 -2.057 11.835 -1.379 1.00 0.00 C ATOM 376 C ASN A 23 -2.235 10.866 -0.242 1.00 0.00 C ATOM 377 O ASN A 23 -2.347 9.660 -0.472 1.00 0.00 O ATOM 378 CB ASN A 23 -3.391 12.493 -1.761 1.00 0.00 C ATOM 379 CG ASN A 23 -4.238 11.530 -2.584 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.976 10.729 -2.027 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.166 11.558 -3.887 1.00 0.00 N ATOM 0 H ASN A 23 -2.232 10.736 -3.146 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.384 12.647 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.931 12.785 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.205 13.403 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.726 10.911 -4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.550 12.227 -4.349 1.00 0.00 H new ATOM 388 N SER A 24 -2.231 11.369 0.973 1.00 0.00 N ATOM 389 CA SER A 24 -2.357 10.497 2.119 1.00 0.00 C ATOM 390 C SER A 24 -3.548 9.560 1.959 1.00 0.00 C ATOM 391 O SER A 24 -3.483 8.422 2.368 1.00 0.00 O ATOM 392 CB SER A 24 -2.511 11.296 3.391 1.00 0.00 C ATOM 393 OG SER A 24 -1.408 12.182 3.533 1.00 0.00 O ATOM 0 H SER A 24 -2.143 12.362 1.191 1.00 0.00 H new ATOM 0 HA SER A 24 -1.445 9.904 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.443 11.860 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.565 10.626 4.249 1.00 0.00 H new ATOM 0 HG SER A 24 -1.510 12.701 4.358 1.00 0.00 H new ATOM 399 N LEU A 25 -4.626 10.040 1.348 1.00 0.00 N ATOM 400 CA LEU A 25 -5.807 9.208 1.150 1.00 0.00 C ATOM 401 C LEU A 25 -5.475 8.022 0.286 1.00 0.00 C ATOM 402 O LEU A 25 -5.816 6.912 0.642 1.00 0.00 O ATOM 403 CB LEU A 25 -6.912 9.996 0.466 1.00 0.00 C ATOM 404 CG LEU A 25 -7.485 11.088 1.379 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.436 12.165 1.683 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.649 11.744 0.648 1.00 0.00 C ATOM 0 H LEU A 25 -4.707 10.990 0.985 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.143 8.876 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.523 10.451 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.710 9.317 0.167 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.799 10.636 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.872 12.925 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.581 11.709 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.109 12.628 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.077 12.526 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.293 12.180 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.411 10.995 0.431 1.00 0.00 H new ATOM 418 N GLN A 26 -4.795 8.259 -0.834 1.00 0.00 N ATOM 419 CA GLN A 26 -4.411 7.171 -1.708 1.00 0.00 C ATOM 420 C GLN A 26 -3.435 6.284 -0.990 1.00 0.00 C ATOM 421 O GLN A 26 -3.551 5.068 -1.003 1.00 0.00 O ATOM 422 CB GLN A 26 -3.759 7.697 -2.961 1.00 0.00 C ATOM 423 CG GLN A 26 -4.832 8.243 -3.900 1.00 0.00 C ATOM 424 CD GLN A 26 -5.624 7.093 -4.519 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.040 6.296 -5.371 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.801 6.913 -4.213 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.505 9.185 -1.148 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.306 6.613 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.045 8.482 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.199 6.902 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.504 8.904 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.369 8.840 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.256 7.537 -3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.323 6.140 -4.625 1.00 0.00 H new ATOM 435 N VAL A 27 -2.503 6.935 -0.321 1.00 0.00 N ATOM 436 CA VAL A 27 -1.496 6.255 0.454 1.00 0.00 C ATOM 437 C VAL A 27 -2.200 5.373 1.473 1.00 0.00 C ATOM 438 O VAL A 27 -1.852 4.209 1.670 1.00 0.00 O ATOM 439 CB VAL A 27 -0.656 7.344 1.153 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.120 6.800 2.344 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.330 7.960 0.154 1.00 0.00 C ATOM 0 H VAL A 27 -2.427 7.952 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.849 5.628 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.351 8.099 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.695 7.605 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.576 6.390 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.798 6.015 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.921 8.728 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.993 7.184 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.222 8.406 -0.673 1.00 0.00 H new ATOM 451 N VAL A 28 -3.218 5.953 2.078 1.00 0.00 N ATOM 452 CA VAL A 28 -4.043 5.259 3.054 1.00 0.00 C ATOM 453 C VAL A 28 -4.947 4.246 2.387 1.00 0.00 C ATOM 454 O VAL A 28 -5.237 3.184 2.935 1.00 0.00 O ATOM 455 CB VAL A 28 -4.811 6.239 3.915 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.610 5.451 4.957 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.784 7.122 4.625 1.00 0.00 C ATOM 0 H VAL A 28 -3.499 6.919 1.908 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.384 4.702 3.720 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.492 6.845 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.170 6.143 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.303 4.779 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.927 4.870 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.300 7.844 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.133 6.501 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.185 7.652 3.884 1.00 0.00 H new ATOM 467 N ALA A 29 -5.394 4.608 1.197 1.00 0.00 N ATOM 468 CA ALA A 29 -6.272 3.777 0.406 1.00 0.00 C ATOM 469 C ALA A 29 -5.628 2.438 0.253 1.00 0.00 C ATOM 470 O ALA A 29 -6.280 1.395 0.288 1.00 0.00 O ATOM 471 CB ALA A 29 -6.413 4.394 -0.971 1.00 0.00 C ATOM 0 H ALA A 29 -5.154 5.494 0.753 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.248 3.688 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.074 3.777 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.834 5.395 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.433 4.454 -1.445 1.00 0.00 H new ATOM 477 N PHE A 30 -4.320 2.494 0.114 1.00 0.00 N ATOM 478 CA PHE A 30 -3.549 1.325 -0.006 1.00 0.00 C ATOM 479 C PHE A 30 -3.478 0.626 1.307 1.00 0.00 C ATOM 480 O PHE A 30 -3.572 -0.592 1.334 1.00 0.00 O ATOM 481 CB PHE A 30 -2.175 1.682 -0.467 1.00 0.00 C ATOM 482 CG PHE A 30 -2.222 1.871 -1.942 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.438 0.773 -2.770 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.121 3.143 -2.472 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.532 0.954 -4.141 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.232 3.337 -3.830 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.432 2.239 -4.681 1.00 0.00 C ATOM 0 H PHE A 30 -3.784 3.361 0.084 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.013 0.660 -0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.833 2.593 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.468 0.894 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.532 -0.216 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.955 3.987 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.682 0.104 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.165 4.334 -4.241 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.508 2.386 -5.748 1.00 0.00 H new ATOM 497 N ILE A 31 -3.356 1.393 2.410 1.00 0.00 N ATOM 498 CA ILE A 31 -3.316 0.738 3.713 1.00 0.00 C ATOM 499 C ILE A 31 -4.579 -0.097 3.819 1.00 0.00 C ATOM 500 O ILE A 31 -4.580 -1.218 4.331 1.00 0.00 O ATOM 501 CB ILE A 31 -3.345 1.723 4.889 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.182 2.705 4.831 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.254 0.942 6.211 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.387 3.755 5.931 1.00 0.00 C ATOM 0 H ILE A 31 -3.287 2.411 2.420 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.389 0.167 3.773 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.278 2.283 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.236 2.183 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.136 3.183 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.274 1.640 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.099 0.258 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.324 0.374 6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.565 4.470 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.328 4.279 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.414 3.263 6.903 1.00 0.00 H new ATOM 516 N ASN A 32 -5.654 0.497 3.303 1.00 0.00 N ATOM 517 CA ASN A 32 -6.957 -0.136 3.303 1.00 0.00 C ATOM 518 C ASN A 32 -7.005 -1.343 2.372 1.00 0.00 C ATOM 519 O ASN A 32 -7.645 -2.344 2.689 1.00 0.00 O ATOM 520 CB ASN A 32 -7.997 0.905 2.889 1.00 0.00 C ATOM 521 CG ASN A 32 -8.447 1.708 4.105 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.468 1.399 4.716 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.732 2.725 4.498 1.00 0.00 N ATOM 0 H ASN A 32 -5.639 1.424 2.878 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.170 -0.507 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.575 1.573 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.855 0.412 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.019 3.266 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.885 2.980 3.990 1.00 0.00 H new ATOM 530 N SER A 33 -6.332 -1.254 1.230 1.00 0.00 N ATOM 531 CA SER A 33 -6.323 -2.359 0.289 1.00 0.00 C ATOM 532 C SER A 33 -5.593 -3.567 0.877 1.00 0.00 C ATOM 533 O SER A 33 -5.955 -4.710 0.602 1.00 0.00 O ATOM 534 CB SER A 33 -5.651 -1.927 -1.004 1.00 0.00 C ATOM 535 OG SER A 33 -6.238 -0.716 -1.463 1.00 0.00 O ATOM 0 H SER A 33 -5.793 -0.438 0.939 1.00 0.00 H new ATOM 0 HA SER A 33 -7.354 -2.647 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.582 -1.787 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.759 -2.705 -1.760 1.00 0.00 H new ATOM 0 HG SER A 33 -6.055 0.000 -0.820 1.00 0.00 H new ATOM 541 N LEU A 34 -4.550 -3.300 1.672 1.00 0.00 N ATOM 542 CA LEU A 34 -3.759 -4.394 2.281 1.00 0.00 C ATOM 543 C LEU A 34 -4.643 -5.286 3.148 1.00 0.00 C ATOM 544 O LEU A 34 -4.577 -6.506 3.062 1.00 0.00 O ATOM 545 CB LEU A 34 -2.621 -3.878 3.189 1.00 0.00 C ATOM 546 CG LEU A 34 -1.931 -2.631 2.627 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.651 -2.342 3.410 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.573 -2.821 1.155 1.00 0.00 C ATOM 0 H LEU A 34 -4.233 -2.360 1.909 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.334 -4.944 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.025 -3.651 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.882 -4.668 3.321 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.624 -1.795 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.168 -1.454 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.896 -2.173 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.026 -3.193 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.084 -1.922 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.898 -3.671 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.481 -3.007 0.581 1.00 0.00 H new ATOM 560 N ARG A 35 -5.471 -4.668 3.984 1.00 0.00 N ATOM 561 CA ARG A 35 -6.369 -5.429 4.856 1.00 0.00 C ATOM 562 C ARG A 35 -7.486 -6.051 4.041 1.00 0.00 C ATOM 563 O ARG A 35 -7.918 -7.173 4.313 1.00 0.00 O ATOM 564 CB ARG A 35 -6.929 -4.548 5.971 1.00 0.00 C ATOM 565 CG ARG A 35 -7.630 -3.313 5.397 1.00 0.00 C ATOM 566 CD ARG A 35 -8.095 -2.402 6.537 1.00 0.00 C ATOM 567 NE ARG A 35 -8.869 -1.279 6.009 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.007 -1.471 5.350 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.093 -1.784 5.997 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.034 -1.348 4.057 1.00 0.00 N ATOM 0 H ARG A 35 -5.542 -3.655 4.079 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.797 -6.229 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.632 -5.122 6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.121 -4.237 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.950 -2.770 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.484 -3.617 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.702 -2.971 7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.232 -2.030 7.089 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.528 -0.328 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.072 -1.882 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.965 -1.931 5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.183 -1.105 3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.906 -1.495 3.549 1.00 0.00 H new ATOM 584 N ASP A 36 -7.909 -5.327 3.011 1.00 0.00 N ATOM 585 CA ASP A 36 -8.935 -5.815 2.112 1.00 0.00 C ATOM 586 C ASP A 36 -8.373 -7.001 1.346 1.00 0.00 C ATOM 587 O ASP A 36 -9.119 -7.823 0.808 1.00 0.00 O ATOM 588 CB ASP A 36 -9.355 -4.697 1.139 1.00 0.00 C ATOM 589 CG ASP A 36 -10.097 -3.568 1.870 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.643 -3.815 2.938 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.107 -2.465 1.349 1.00 0.00 O ATOM 0 H ASP A 36 -7.553 -4.399 2.782 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.816 -6.123 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.472 -4.293 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.996 -5.111 0.361 1.00 0.00 H new ATOM 596 N ASP A 37 -7.035 -7.072 1.313 1.00 0.00 N ATOM 597 CA ASP A 37 -6.340 -8.150 0.616 1.00 0.00 C ATOM 598 C ASP A 37 -4.825 -8.098 0.885 1.00 0.00 C ATOM 599 O ASP A 37 -4.089 -7.397 0.182 1.00 0.00 O ATOM 600 CB ASP A 37 -6.599 -8.035 -0.893 1.00 0.00 C ATOM 601 CG ASP A 37 -6.319 -9.372 -1.589 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.339 -10.016 -1.239 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.085 -9.730 -2.466 1.00 0.00 O ATOM 0 H ASP A 37 -6.418 -6.395 1.761 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.721 -9.101 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.632 -7.736 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.965 -7.257 -1.319 1.00 0.00 H new ATOM 608 N PRO A 38 -4.345 -8.825 1.875 1.00 0.00 N ATOM 609 CA PRO A 38 -2.890 -8.855 2.214 1.00 0.00 C ATOM 610 C PRO A 38 -2.094 -9.602 1.150 1.00 0.00 C ATOM 611 O PRO A 38 -0.935 -9.286 0.890 1.00 0.00 O ATOM 612 CB PRO A 38 -2.807 -9.578 3.563 1.00 0.00 C ATOM 613 CG PRO A 38 -4.204 -9.926 3.962 1.00 0.00 C ATOM 614 CD PRO A 38 -5.124 -9.690 2.765 1.00 0.00 C ATOM 0 HA PRO A 38 -2.467 -7.852 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.195 -10.476 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.340 -8.941 4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.258 -10.967 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.519 -9.315 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.390 -10.627 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.056 -9.213 3.068 1.00 0.00 H new ATOM 622 N SER A 39 -2.743 -10.584 0.524 1.00 0.00 N ATOM 623 CA SER A 39 -2.115 -11.367 -0.532 1.00 0.00 C ATOM 624 C SER A 39 -1.778 -10.448 -1.693 1.00 0.00 C ATOM 625 O SER A 39 -0.791 -10.656 -2.403 1.00 0.00 O ATOM 626 CB SER A 39 -3.056 -12.479 -1.004 1.00 0.00 C ATOM 627 OG SER A 39 -3.529 -13.203 0.125 1.00 0.00 O ATOM 0 H SER A 39 -3.704 -10.854 0.733 1.00 0.00 H new ATOM 0 HA SER A 39 -1.205 -11.827 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.894 -12.053 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.533 -13.148 -1.687 1.00 0.00 H new ATOM 0 HG SER A 39 -4.133 -13.915 -0.173 1.00 0.00 H new ATOM 633 N GLN A 40 -2.611 -9.420 -1.863 1.00 0.00 N ATOM 634 CA GLN A 40 -2.414 -8.448 -2.921 1.00 0.00 C ATOM 635 C GLN A 40 -1.656 -7.234 -2.409 1.00 0.00 C ATOM 636 O GLN A 40 -1.477 -6.268 -3.141 1.00 0.00 O ATOM 637 CB GLN A 40 -3.764 -8.018 -3.510 1.00 0.00 C ATOM 638 CG GLN A 40 -4.423 -9.209 -4.220 1.00 0.00 C ATOM 639 CD GLN A 40 -3.622 -9.597 -5.461 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.495 -8.806 -6.394 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.066 -10.776 -5.523 1.00 0.00 N ATOM 0 H GLN A 40 -3.427 -9.245 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.820 -8.917 -3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.416 -7.649 -2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.620 -7.198 -4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.485 -10.058 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.444 -8.952 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.172 -11.431 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.525 -11.042 -6.346 1.00 0.00 H new ATOM 650 N SER A 41 -1.172 -7.299 -1.161 1.00 0.00 N ATOM 651 CA SER A 41 -0.404 -6.193 -0.593 1.00 0.00 C ATOM 652 C SER A 41 0.758 -5.903 -1.528 1.00 0.00 C ATOM 653 O SER A 41 1.157 -4.761 -1.698 1.00 0.00 O ATOM 654 CB SER A 41 0.122 -6.555 0.808 1.00 0.00 C ATOM 655 OG SER A 41 1.143 -7.531 0.682 1.00 0.00 O ATOM 0 H SER A 41 -1.298 -8.096 -0.537 1.00 0.00 H new ATOM 0 HA SER A 41 -1.041 -5.315 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.511 -5.666 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.689 -6.937 1.427 1.00 0.00 H new ATOM 0 HG SER A 41 0.738 -8.421 0.620 1.00 0.00 H new ATOM 661 N ALA A 42 1.258 -6.978 -2.144 1.00 0.00 N ATOM 662 CA ALA A 42 2.355 -6.905 -3.098 1.00 0.00 C ATOM 663 C ALA A 42 1.920 -6.216 -4.396 1.00 0.00 C ATOM 664 O ALA A 42 2.683 -5.478 -5.018 1.00 0.00 O ATOM 665 CB ALA A 42 2.829 -8.317 -3.422 1.00 0.00 C ATOM 0 H ALA A 42 0.908 -7.924 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 42 3.160 -6.321 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.651 -8.270 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.169 -8.805 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.006 -8.887 -3.853 1.00 0.00 H new ATOM 671 N ASN A 43 0.684 -6.467 -4.791 1.00 0.00 N ATOM 672 CA ASN A 43 0.114 -5.873 -5.985 1.00 0.00 C ATOM 673 C ASN A 43 -0.189 -4.421 -5.743 1.00 0.00 C ATOM 674 O ASN A 43 -0.186 -3.589 -6.640 1.00 0.00 O ATOM 675 CB ASN A 43 -1.205 -6.541 -6.252 1.00 0.00 C ATOM 676 CG ASN A 43 -1.702 -6.268 -7.670 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.929 -5.892 -8.554 1.00 0.00 O ATOM 678 ND2 ASN A 43 -2.962 -6.439 -7.935 1.00 0.00 N ATOM 0 H ASN A 43 0.048 -7.089 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 43 0.817 -5.988 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.105 -7.616 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.944 -6.187 -5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.314 -6.262 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.600 -6.750 -7.202 1.00 0.00 H new ATOM 685 N LEU A 44 -0.572 -4.175 -4.512 1.00 0.00 N ATOM 686 CA LEU A 44 -1.011 -2.873 -4.098 1.00 0.00 C ATOM 687 C LEU A 44 0.075 -1.842 -4.175 1.00 0.00 C ATOM 688 O LEU A 44 -0.184 -0.759 -4.671 1.00 0.00 O ATOM 689 CB LEU A 44 -1.636 -2.994 -2.726 1.00 0.00 C ATOM 690 CG LEU A 44 -2.958 -3.752 -2.917 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.457 -4.351 -1.606 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.988 -2.791 -3.489 1.00 0.00 C ATOM 0 H LEU A 44 -0.586 -4.877 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.767 -2.506 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.976 -3.530 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.812 -2.010 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.795 -4.582 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.394 -4.879 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.714 -5.048 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.620 -3.554 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.934 -3.314 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.133 -1.960 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.637 -2.410 -4.448 1.00 0.00 H new ATOM 704 N LEU A 45 1.300 -2.168 -3.781 1.00 0.00 N ATOM 705 CA LEU A 45 2.361 -1.170 -3.969 1.00 0.00 C ATOM 706 C LEU A 45 2.564 -1.077 -5.458 1.00 0.00 C ATOM 707 O LEU A 45 2.909 -0.047 -5.976 1.00 0.00 O ATOM 708 CB LEU A 45 3.751 -1.384 -3.307 1.00 0.00 C ATOM 709 CG LEU A 45 3.830 -2.571 -2.369 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.764 -2.474 -1.284 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.702 -3.834 -3.198 1.00 0.00 C ATOM 0 H LEU A 45 1.579 -3.052 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 45 1.999 -0.279 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.497 -1.509 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.017 -0.483 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 45 4.788 -2.587 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.839 -3.337 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.913 -1.561 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.776 -2.455 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.756 -4.705 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.745 -3.831 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.513 -3.875 -3.926 1.00 0.00 H new ATOM 723 N ALA A 46 2.337 -2.201 -6.139 1.00 0.00 N ATOM 724 CA ALA A 46 2.483 -2.244 -7.586 1.00 0.00 C ATOM 725 C ALA A 46 1.520 -1.233 -8.179 1.00 0.00 C ATOM 726 O ALA A 46 1.869 -0.446 -9.052 1.00 0.00 O ATOM 727 CB ALA A 46 2.124 -3.635 -8.103 1.00 0.00 C ATOM 0 H ALA A 46 2.054 -3.083 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 46 3.511 -2.016 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.235 -3.660 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.788 -4.373 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.092 -3.866 -7.839 1.00 0.00 H new ATOM 733 N GLU A 47 0.316 -1.251 -7.628 1.00 0.00 N ATOM 734 CA GLU A 47 -0.737 -0.343 -7.999 1.00 0.00 C ATOM 735 C GLU A 47 -0.355 1.050 -7.551 1.00 0.00 C ATOM 736 O GLU A 47 -0.432 2.008 -8.294 1.00 0.00 O ATOM 737 CB GLU A 47 -1.984 -0.779 -7.241 1.00 0.00 C ATOM 738 CG GLU A 47 -2.821 -1.741 -8.084 1.00 0.00 C ATOM 739 CD GLU A 47 -3.652 -2.646 -7.174 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.134 -3.668 -6.751 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.790 -2.300 -6.905 1.00 0.00 O ATOM 0 H GLU A 47 0.047 -1.912 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.907 -0.347 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.697 -1.262 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.580 0.095 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.477 -1.179 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.170 -2.345 -8.715 1.00 0.00 H new ATOM 748 N ALA A 48 0.062 1.108 -6.304 1.00 0.00 N ATOM 749 CA ALA A 48 0.471 2.342 -5.657 1.00 0.00 C ATOM 750 C ALA A 48 1.617 2.993 -6.401 1.00 0.00 C ATOM 751 O ALA A 48 1.586 4.181 -6.682 1.00 0.00 O ATOM 752 CB ALA A 48 0.895 2.038 -4.237 1.00 0.00 C ATOM 0 H ALA A 48 0.128 0.289 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.371 3.034 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.204 2.960 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.058 1.599 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.729 1.336 -4.249 1.00 0.00 H new ATOM 758 N LYS A 49 2.611 2.194 -6.735 1.00 0.00 N ATOM 759 CA LYS A 49 3.753 2.686 -7.487 1.00 0.00 C ATOM 760 C LYS A 49 3.253 3.170 -8.843 1.00 0.00 C ATOM 761 O LYS A 49 3.717 4.186 -9.359 1.00 0.00 O ATOM 762 CB LYS A 49 4.806 1.577 -7.641 1.00 0.00 C ATOM 763 CG LYS A 49 5.489 1.326 -6.283 1.00 0.00 C ATOM 764 CD LYS A 49 6.425 0.111 -6.375 1.00 0.00 C ATOM 765 CE LYS A 49 6.934 -0.258 -4.973 1.00 0.00 C ATOM 766 NZ LYS A 49 7.758 -1.497 -5.049 1.00 0.00 N ATOM 0 H LYS A 49 2.653 1.203 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 49 4.230 3.513 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.336 0.661 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.548 1.866 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.055 2.208 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.735 1.156 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.897 -0.735 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.266 0.337 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.527 0.560 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.092 -0.410 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.653 -2.039 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.440 -2.077 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.757 -1.242 -5.181 1.00 0.00 H new ATOM 780 N LYS A 50 2.248 2.459 -9.381 1.00 0.00 N ATOM 781 CA LYS A 50 1.633 2.852 -10.641 1.00 0.00 C ATOM 782 C LYS A 50 0.821 4.125 -10.428 1.00 0.00 C ATOM 783 O LYS A 50 0.768 4.989 -11.289 1.00 0.00 O ATOM 784 CB LYS A 50 0.742 1.716 -11.163 1.00 0.00 C ATOM 785 CG LYS A 50 1.620 0.615 -11.771 1.00 0.00 C ATOM 786 CD LYS A 50 0.759 -0.614 -12.092 1.00 0.00 C ATOM 787 CE LYS A 50 1.651 -1.856 -12.223 1.00 0.00 C ATOM 788 NZ LYS A 50 1.300 -2.833 -11.153 1.00 0.00 N ATOM 0 H LYS A 50 1.853 1.618 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 50 2.405 3.048 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.140 1.309 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.049 2.098 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.102 0.980 -12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.414 0.343 -11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.020 -0.767 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.208 -0.451 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.518 -2.311 -13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.701 -1.574 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.143 -3.387 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.955 -2.322 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.557 -3.473 -11.498 1.00 0.00 H new ATOM 802 N LEU A 51 0.209 4.209 -9.247 1.00 0.00 N ATOM 803 CA LEU A 51 -0.609 5.348 -8.841 1.00 0.00 C ATOM 804 C LEU A 51 0.258 6.569 -8.618 1.00 0.00 C ATOM 805 O LEU A 51 -0.072 7.682 -9.021 1.00 0.00 O ATOM 806 CB LEU A 51 -1.267 5.011 -7.503 1.00 0.00 C ATOM 807 CG LEU A 51 -2.718 4.561 -7.643 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.580 5.743 -8.113 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.810 3.355 -8.600 1.00 0.00 C ATOM 0 H LEU A 51 0.269 3.478 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.344 5.551 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.695 4.224 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.226 5.886 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.101 4.234 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.616 5.421 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.520 6.550 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.216 6.098 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.850 3.042 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.428 3.639 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.217 2.530 -8.204 1.00 0.00 H new ATOM 821 N ASN A 52 1.371 6.319 -7.948 1.00 0.00 N ATOM 822 CA ASN A 52 2.335 7.339 -7.612 1.00 0.00 C ATOM 823 C ASN A 52 2.831 7.975 -8.890 1.00 0.00 C ATOM 824 O ASN A 52 2.870 9.199 -9.032 1.00 0.00 O ATOM 825 CB ASN A 52 3.479 6.649 -6.849 1.00 0.00 C ATOM 826 CG ASN A 52 4.596 7.620 -6.488 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.623 8.154 -5.380 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.534 7.866 -7.360 1.00 0.00 N ATOM 0 H ASN A 52 1.628 5.388 -7.621 1.00 0.00 H new ATOM 0 HA ASN A 52 1.904 8.123 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.085 6.196 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.885 5.841 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.295 8.504 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.507 7.421 -8.277 1.00 0.00 H new ATOM 835 N ASP A 53 3.179 7.106 -9.819 1.00 0.00 N ATOM 836 CA ASP A 53 3.651 7.512 -11.114 1.00 0.00 C ATOM 837 C ASP A 53 2.522 8.085 -11.979 1.00 0.00 C ATOM 838 O ASP A 53 2.737 9.015 -12.759 1.00 0.00 O ATOM 839 CB ASP A 53 4.276 6.299 -11.816 1.00 0.00 C ATOM 840 CG ASP A 53 5.490 5.764 -11.036 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.033 6.489 -10.212 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.856 4.626 -11.275 1.00 0.00 O ATOM 0 H ASP A 53 3.139 6.095 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 53 4.392 8.300 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.530 5.511 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.583 6.578 -12.824 1.00 0.00 H new ATOM 847 N ALA A 54 1.337 7.475 -11.872 1.00 0.00 N ATOM 848 CA ALA A 54 0.181 7.871 -12.689 1.00 0.00 C ATOM 849 C ALA A 54 -0.457 9.183 -12.277 1.00 0.00 C ATOM 850 O ALA A 54 -0.877 9.968 -13.129 1.00 0.00 O ATOM 851 CB ALA A 54 -0.893 6.813 -12.548 1.00 0.00 C ATOM 0 H ALA A 54 1.151 6.706 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 54 0.560 7.984 -13.705 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.759 7.091 -13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.506 5.854 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.188 6.731 -11.502 1.00 0.00 H new ATOM 857 N GLN A 55 -0.562 9.399 -10.976 1.00 0.00 N ATOM 858 CA GLN A 55 -1.195 10.601 -10.477 1.00 0.00 C ATOM 859 C GLN A 55 -0.231 11.745 -10.466 1.00 0.00 C ATOM 860 O GLN A 55 -0.554 12.851 -10.905 1.00 0.00 O ATOM 861 CB GLN A 55 -1.658 10.398 -9.042 1.00 0.00 C ATOM 862 CG GLN A 55 -2.847 9.442 -8.967 1.00 0.00 C ATOM 863 CD GLN A 55 -3.340 9.381 -7.524 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.318 8.699 -7.226 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.725 10.082 -6.603 1.00 0.00 N ATOM 0 H GLN A 55 -0.220 8.763 -10.256 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.038 10.817 -11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.835 10.004 -8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.935 11.359 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.647 9.782 -9.625 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.555 8.449 -9.308 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.913 10.648 -6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.058 10.061 -5.639 1.00 0.00 H new ATOM 874 N ALA A 56 0.935 11.463 -9.895 1.00 0.00 N ATOM 875 CA ALA A 56 1.963 12.480 -9.728 1.00 0.00 C ATOM 876 C ALA A 56 1.289 13.783 -9.253 1.00 0.00 C ATOM 877 O ALA A 56 1.289 14.791 -9.965 1.00 0.00 O ATOM 878 CB ALA A 56 2.718 12.685 -11.042 1.00 0.00 C ATOM 0 H ALA A 56 1.190 10.541 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 56 2.692 12.165 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.485 13.448 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.187 11.748 -11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.021 13.005 -11.816 1.00 0.00 H new ATOM 884 N PRO A 57 0.663 13.750 -8.083 1.00 0.00 N ATOM 885 CA PRO A 57 -0.086 14.907 -7.526 1.00 0.00 C ATOM 886 C PRO A 57 0.844 16.025 -7.049 1.00 0.00 C ATOM 887 O PRO A 57 1.254 16.062 -5.886 1.00 0.00 O ATOM 888 CB PRO A 57 -0.932 14.319 -6.378 1.00 0.00 C ATOM 889 CG PRO A 57 -0.657 12.853 -6.358 1.00 0.00 C ATOM 890 CD PRO A 57 0.626 12.626 -7.151 1.00 0.00 C ATOM 0 HA PRO A 57 -0.711 15.383 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.665 14.777 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.993 14.513 -6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.545 12.496 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.486 12.300 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.501 12.616 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.608 11.671 -7.676 1.00 0.00 H new ATOM 898 N LYS A 58 1.178 16.926 -7.970 1.00 0.00 N ATOM 899 CA LYS A 58 2.066 18.048 -7.664 1.00 0.00 C ATOM 900 C LYS A 58 1.325 19.119 -6.857 1.00 0.00 C ATOM 901 O LYS A 58 0.194 19.421 -7.206 1.00 0.00 O ATOM 902 CB LYS A 58 2.600 18.660 -8.966 1.00 0.00 C ATOM 903 CG LYS A 58 3.455 17.626 -9.711 1.00 0.00 C ATOM 904 CD LYS A 58 4.066 18.266 -10.964 1.00 0.00 C ATOM 905 CE LYS A 58 4.811 17.202 -11.778 1.00 0.00 C ATOM 906 NZ LYS A 58 5.350 17.819 -13.022 1.00 0.00 N ATOM 907 OXT LYS A 58 1.899 19.618 -5.904 1.00 0.00 O ATOM 0 H LYS A 58 0.848 16.902 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 58 2.900 17.676 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.770 18.981 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.194 19.547 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.245 17.255 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.844 16.768 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.282 18.719 -11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.751 19.065 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.623 16.779 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.138 16.382 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.856 17.099 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.566 18.203 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.005 18.587 -12.773 1.00 0.00 H new TER 921 LYS A 58