USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 1 MET CE :methyl -130:sc= 0 (180deg=-0.478) USER MOD Single : A 1 MET N :NH3+ -151:sc= 2.43 (180deg=1.58) USER MOD Single : A 8 ASN : amide:sc= -0.0896 K(o=-0.09,f=-1.1) USER MOD Single : A 19 SER OG : rot 66:sc= 0.448 USER MOD Single : A 21 THR OG1 : rot -144:sc= 0.874 USER MOD Single : A 22 SER OG : rot -170:sc= -1.02 USER MOD Single : A 25 GLN : amide:sc= -0.0855 X(o=-0.086,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= 1.21 (180deg=0.957) USER MOD Single : A 32 LYS NZ :NH3+ -108:sc= -0.351 (180deg=-1.73) USER MOD Single : A 34 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc=-0.00215 (180deg=-0.0669) USER MOD Single : A 52 ASN : amide:sc= -0.144 K(o=-0.14,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot 141:sc= 0.491 USER MOD Single : A 57 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= 0.586 K(o=0.59,f=-0.5) USER MOD Single : A 59 CYS SG : rot 70:sc= 0.0834 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.12) USER MOD Single : A 68 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.023) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0342 F(o=-1.4!,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.768 -1.099 0.626 1.00 0.00 N ATOM 2 CA MET A 1 2.081 -0.652 -0.745 1.00 0.00 C ATOM 3 C MET A 1 1.801 -1.768 -1.749 1.00 0.00 C ATOM 4 O MET A 1 1.299 -2.828 -1.382 1.00 0.00 O ATOM 5 CB MET A 1 3.552 -0.213 -0.846 1.00 0.00 C ATOM 6 CG MET A 1 4.566 -1.346 -0.683 1.00 0.00 C ATOM 7 SD MET A 1 4.537 -2.098 0.958 1.00 0.00 S ATOM 8 CE MET A 1 5.899 -3.252 0.824 1.00 0.00 C ATOM 0 H1 MET A 1 1.485 -0.281 1.202 1.00 0.00 H new ATOM 0 H2 MET A 1 0.990 -1.788 0.597 1.00 0.00 H new ATOM 0 H3 MET A 1 2.609 -1.544 1.047 1.00 0.00 H new ATOM 0 HA MET A 1 1.443 0.200 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.710 0.262 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.745 0.543 -0.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.366 -2.114 -1.431 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.566 -0.961 -0.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.574 -4.238 1.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.228 -3.308 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.725 -2.914 1.449 1.00 0.00 H new ATOM 20 N ILE A 2 2.113 -1.521 -3.008 1.00 0.00 N ATOM 21 CA ILE A 2 1.918 -2.512 -4.057 1.00 0.00 C ATOM 22 C ILE A 2 3.195 -3.326 -4.270 1.00 0.00 C ATOM 23 O ILE A 2 4.256 -2.762 -4.528 1.00 0.00 O ATOM 24 CB ILE A 2 1.520 -1.836 -5.398 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.130 -1.196 -5.297 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.572 -2.833 -6.554 1.00 0.00 C ATOM 27 CD1 ILE A 2 -1.000 -2.194 -5.208 1.00 0.00 C ATOM 0 H ILE A 2 2.505 -0.637 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 2 1.111 -3.172 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 2 2.245 -1.047 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.101 -0.551 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.029 -0.558 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.289 -2.332 -7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.584 -3.227 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.881 -3.653 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.950 -1.663 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.000 -2.824 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.867 -2.816 -4.323 1.00 0.00 H new ATOM 39 N VAL A 3 3.090 -4.640 -4.139 1.00 0.00 N ATOM 40 CA VAL A 3 4.226 -5.524 -4.378 1.00 0.00 C ATOM 41 C VAL A 3 3.937 -6.413 -5.582 1.00 0.00 C ATOM 42 O VAL A 3 2.782 -6.618 -5.939 1.00 0.00 O ATOM 43 CB VAL A 3 4.559 -6.419 -3.144 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.875 -5.570 -1.927 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.430 -7.391 -2.839 1.00 0.00 C ATOM 0 H VAL A 3 2.231 -5.119 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 3 5.093 -4.891 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 3 5.444 -7.004 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.104 -6.218 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.735 -4.934 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.014 -4.947 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.696 -7.998 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.518 -6.834 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.265 -8.039 -3.700 1.00 0.00 H new ATOM 55 N PHE A 4 4.972 -6.929 -6.207 1.00 0.00 N ATOM 56 CA PHE A 4 4.792 -7.793 -7.361 1.00 0.00 C ATOM 57 C PHE A 4 4.968 -9.245 -6.969 1.00 0.00 C ATOM 58 O PHE A 4 5.932 -9.599 -6.286 1.00 0.00 O ATOM 59 CB PHE A 4 5.758 -7.415 -8.481 1.00 0.00 C ATOM 60 CG PHE A 4 5.486 -6.065 -9.067 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.351 -5.012 -8.841 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.357 -5.850 -9.839 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.096 -3.765 -9.377 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.097 -4.608 -10.377 1.00 0.00 C ATOM 65 CZ PHE A 4 4.967 -3.564 -10.147 1.00 0.00 C ATOM 0 H PHE A 4 5.943 -6.769 -5.940 1.00 0.00 H new ATOM 0 HA PHE A 4 3.776 -7.657 -7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.777 -7.437 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.699 -8.165 -9.270 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.235 -5.165 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.672 -6.665 -10.022 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.778 -2.948 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.213 -4.453 -10.978 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.766 -2.590 -10.568 1.00 0.00 H new ATOM 75 N VAL A 5 4.038 -10.088 -7.396 1.00 0.00 N ATOM 76 CA VAL A 5 4.061 -11.498 -7.034 1.00 0.00 C ATOM 77 C VAL A 5 3.791 -12.397 -8.249 1.00 0.00 C ATOM 78 O VAL A 5 2.976 -12.070 -9.113 1.00 0.00 O ATOM 79 CB VAL A 5 3.005 -11.793 -5.933 1.00 0.00 C ATOM 80 CG1 VAL A 5 3.000 -13.258 -5.544 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.246 -10.927 -4.711 1.00 0.00 C ATOM 0 H VAL A 5 3.257 -9.819 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 5 5.059 -11.719 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 5 2.026 -11.552 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.249 -13.427 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.765 -13.866 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.982 -13.536 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.495 -11.150 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.239 -11.132 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.178 -9.876 -4.991 1.00 0.00 H new ATOM 91 N ARG A 6 4.506 -13.516 -8.306 1.00 0.00 N ATOM 92 CA ARG A 6 4.323 -14.513 -9.348 1.00 0.00 C ATOM 93 C ARG A 6 3.822 -15.803 -8.721 1.00 0.00 C ATOM 94 O ARG A 6 4.495 -16.389 -7.872 1.00 0.00 O ATOM 95 CB ARG A 6 5.638 -14.785 -10.084 1.00 0.00 C ATOM 96 CG ARG A 6 6.262 -13.558 -10.706 1.00 0.00 C ATOM 97 CD ARG A 6 7.485 -13.916 -11.544 1.00 0.00 C ATOM 98 NE ARG A 6 7.137 -14.771 -12.683 1.00 0.00 N ATOM 99 CZ ARG A 6 8.018 -15.304 -13.534 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.314 -15.074 -13.384 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 7.594 -16.068 -14.539 1.00 0.00 N ATOM 0 H ARG A 6 5.230 -13.755 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 6 3.597 -14.135 -10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.349 -15.226 -9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.459 -15.524 -10.865 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.527 -13.052 -11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.549 -12.858 -9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.956 -13.003 -11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.217 -14.426 -10.918 1.00 0.00 H new ATOM 0 HE ARG A 6 6.149 -14.974 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.642 -14.488 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.983 -15.483 -14.036 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.597 -16.246 -14.659 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.266 -16.475 -15.189 1.00 0.00 H new ATOM 115 N PHE A 7 2.652 -16.240 -9.125 1.00 0.00 N ATOM 116 CA PHE A 7 2.068 -17.444 -8.570 1.00 0.00 C ATOM 117 C PHE A 7 2.269 -18.628 -9.508 1.00 0.00 C ATOM 118 O PHE A 7 1.734 -18.648 -10.611 1.00 0.00 O ATOM 119 CB PHE A 7 0.579 -17.235 -8.291 1.00 0.00 C ATOM 120 CG PHE A 7 -0.064 -18.373 -7.558 1.00 0.00 C ATOM 121 CD1 PHE A 7 -0.018 -18.429 -6.176 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.710 -19.388 -8.244 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.601 -19.472 -5.494 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.297 -20.435 -7.566 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.241 -20.476 -6.189 1.00 0.00 C ATOM 0 H PHE A 7 2.083 -15.781 -9.837 1.00 0.00 H new ATOM 0 HA PHE A 7 2.573 -17.664 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.452 -16.322 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.059 -17.084 -9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.481 -17.645 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.754 -19.359 -9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.557 -19.504 -4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.799 -21.220 -8.112 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.699 -21.295 -5.654 1.00 0.00 H new ATOM 135 N ASN A 8 3.056 -19.592 -9.059 1.00 0.00 N ATOM 136 CA ASN A 8 3.338 -20.817 -9.815 1.00 0.00 C ATOM 137 C ASN A 8 3.926 -20.497 -11.195 1.00 0.00 C ATOM 138 O ASN A 8 3.470 -21.012 -12.216 1.00 0.00 O ATOM 139 CB ASN A 8 2.074 -21.681 -9.944 1.00 0.00 C ATOM 140 CG ASN A 8 2.375 -23.097 -10.416 1.00 0.00 C ATOM 141 OD1 ASN A 8 3.452 -23.643 -10.148 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.431 -23.697 -11.112 1.00 0.00 N ATOM 0 H ASN A 8 3.524 -19.553 -8.154 1.00 0.00 H new ATOM 0 HA ASN A 8 4.085 -21.386 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.568 -21.724 -8.979 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.385 -21.208 -10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.574 -24.648 -11.452 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.557 -23.211 -11.311 1.00 0.00 H new ATOM 188 N GLY A 12 3.049 -12.217 -13.518 1.00 0.00 N ATOM 189 CA GLY A 12 3.257 -11.363 -12.375 1.00 0.00 C ATOM 190 C GLY A 12 2.108 -10.415 -12.167 1.00 0.00 C ATOM 191 O GLY A 12 1.645 -9.767 -13.115 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.388 -11.976 -11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.177 -10.794 -12.509 1.00 0.00 H new ATOM 195 N PHE A 13 1.634 -10.340 -10.949 1.00 0.00 N ATOM 196 CA PHE A 13 0.527 -9.477 -10.618 1.00 0.00 C ATOM 197 C PHE A 13 0.852 -8.622 -9.399 1.00 0.00 C ATOM 198 O PHE A 13 1.581 -9.055 -8.500 1.00 0.00 O ATOM 199 CB PHE A 13 -0.755 -10.300 -10.393 1.00 0.00 C ATOM 200 CG PHE A 13 -0.575 -11.496 -9.496 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.672 -11.369 -8.124 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.316 -12.747 -10.031 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.514 -12.465 -7.300 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.155 -13.846 -9.212 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.254 -13.703 -7.843 1.00 0.00 C ATOM 0 H PHE A 13 2.002 -10.873 -10.161 1.00 0.00 H new ATOM 0 HA PHE A 13 0.353 -8.806 -11.459 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.519 -9.651 -9.964 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.130 -10.638 -11.359 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.874 -10.401 -7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.239 -12.864 -11.102 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.594 -12.351 -6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.048 -14.816 -9.642 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.128 -14.561 -7.199 1.00 0.00 H new ATOM 215 N PRO A 14 0.342 -7.385 -9.370 1.00 0.00 N ATOM 216 CA PRO A 14 0.570 -6.466 -8.267 1.00 0.00 C ATOM 217 C PRO A 14 -0.396 -6.707 -7.102 1.00 0.00 C ATOM 218 O PRO A 14 -1.611 -6.524 -7.232 1.00 0.00 O ATOM 219 CB PRO A 14 0.325 -5.100 -8.900 1.00 0.00 C ATOM 220 CG PRO A 14 -0.676 -5.350 -9.979 1.00 0.00 C ATOM 221 CD PRO A 14 -0.489 -6.779 -10.429 1.00 0.00 C ATOM 0 HA PRO A 14 1.564 -6.577 -7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.054 -4.387 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.246 -4.681 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.689 -5.191 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.528 -4.661 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.445 -7.294 -10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.004 -6.830 -11.400 1.00 0.00 H new ATOM 229 N VAL A 15 0.150 -7.119 -5.978 1.00 0.00 N ATOM 230 CA VAL A 15 -0.638 -7.384 -4.792 1.00 0.00 C ATOM 231 C VAL A 15 -0.556 -6.210 -3.829 1.00 0.00 C ATOM 232 O VAL A 15 0.538 -5.758 -3.465 1.00 0.00 O ATOM 233 CB VAL A 15 -0.175 -8.682 -4.075 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.974 -8.914 -2.798 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.314 -9.872 -5.002 1.00 0.00 C ATOM 0 H VAL A 15 1.150 -7.280 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.671 -7.522 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 15 0.874 -8.565 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.631 -9.829 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.832 -8.071 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.032 -9.008 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.014 -10.775 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.357 -9.982 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.301 -9.716 -5.888 1.00 0.00 H new ATOM 245 N GLU A 16 -1.706 -5.704 -3.442 1.00 0.00 N ATOM 246 CA GLU A 16 -1.781 -4.598 -2.518 1.00 0.00 C ATOM 247 C GLU A 16 -1.657 -5.089 -1.085 1.00 0.00 C ATOM 248 O GLU A 16 -2.471 -5.887 -0.616 1.00 0.00 O ATOM 249 CB GLU A 16 -3.094 -3.837 -2.710 1.00 0.00 C ATOM 250 CG GLU A 16 -3.284 -2.683 -1.745 1.00 0.00 C ATOM 251 CD GLU A 16 -4.581 -1.943 -1.973 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.654 -2.584 -1.947 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.537 -0.708 -2.175 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.613 -6.048 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.952 -3.921 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.135 -3.455 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.925 -4.533 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.261 -3.061 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.451 -1.988 -1.847 1.00 0.00 H new ATOM 260 N VAL A 17 -0.628 -4.628 -0.404 1.00 0.00 N ATOM 261 CA VAL A 17 -0.408 -4.991 0.981 1.00 0.00 C ATOM 262 C VAL A 17 -0.397 -3.749 1.852 1.00 0.00 C ATOM 263 O VAL A 17 -0.375 -2.623 1.341 1.00 0.00 O ATOM 264 CB VAL A 17 0.921 -5.765 1.173 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.914 -7.056 0.378 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.116 -4.906 0.787 1.00 0.00 C ATOM 0 H VAL A 17 0.074 -3.997 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.227 -5.646 1.278 1.00 0.00 H new ATOM 0 HB VAL A 17 1.011 -6.014 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.857 -7.581 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.090 -7.686 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.790 -6.830 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.035 -5.475 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.031 -4.614 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.139 -4.013 1.412 1.00 0.00 H new ATOM 276 N ASP A 18 -0.410 -3.948 3.150 1.00 0.00 N ATOM 277 CA ASP A 18 -0.389 -2.847 4.095 1.00 0.00 C ATOM 278 C ASP A 18 0.990 -2.734 4.714 1.00 0.00 C ATOM 279 O ASP A 18 1.827 -3.627 4.544 1.00 0.00 O ATOM 280 CB ASP A 18 -1.437 -3.059 5.197 1.00 0.00 C ATOM 281 CG ASP A 18 -2.856 -3.113 4.665 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.494 -2.047 4.557 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.347 -4.229 4.366 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.435 -4.871 3.582 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.627 -1.926 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.218 -3.987 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.359 -2.252 5.925 1.00 0.00 H new ATOM 288 N SER A 19 1.228 -1.655 5.444 1.00 0.00 N ATOM 289 CA SER A 19 2.515 -1.435 6.093 1.00 0.00 C ATOM 290 C SER A 19 2.752 -2.458 7.201 1.00 0.00 C ATOM 291 O SER A 19 3.882 -2.675 7.636 1.00 0.00 O ATOM 292 CB SER A 19 2.571 -0.016 6.666 1.00 0.00 C ATOM 293 OG SER A 19 1.446 0.246 7.506 1.00 0.00 O ATOM 0 H SER A 19 0.545 -0.914 5.603 1.00 0.00 H new ATOM 0 HA SER A 19 3.301 -1.555 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.491 0.113 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.596 0.707 5.851 1.00 0.00 H new ATOM 0 HG SER A 19 1.491 -0.326 8.300 1.00 0.00 H new ATOM 299 N ASP A 20 1.681 -3.086 7.646 1.00 0.00 N ATOM 300 CA ASP A 20 1.759 -4.053 8.719 1.00 0.00 C ATOM 301 C ASP A 20 1.376 -5.441 8.244 1.00 0.00 C ATOM 302 O ASP A 20 0.950 -6.280 9.031 1.00 0.00 O ATOM 303 CB ASP A 20 0.873 -3.621 9.890 1.00 0.00 C ATOM 304 CG ASP A 20 1.391 -2.374 10.576 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.071 -2.503 11.621 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.133 -1.257 10.071 1.00 0.00 O1- ATOM 0 H ASP A 20 0.741 -2.941 7.277 1.00 0.00 H new ATOM 0 HA ASP A 20 2.794 -4.094 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.139 -3.440 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.812 -4.433 10.615 1.00 0.00 H new ATOM 311 N THR A 21 1.535 -5.687 6.956 1.00 0.00 N ATOM 312 CA THR A 21 1.246 -6.991 6.402 1.00 0.00 C ATOM 313 C THR A 21 2.473 -7.888 6.505 1.00 0.00 C ATOM 314 O THR A 21 3.505 -7.604 5.914 1.00 0.00 O ATOM 315 CB THR A 21 0.799 -6.884 4.922 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.435 -6.161 4.846 1.00 0.00 O ATOM 317 CG2 THR A 21 0.615 -8.264 4.294 1.00 0.00 C ATOM 0 H THR A 21 1.862 -5.000 6.277 1.00 0.00 H new ATOM 0 HA THR A 21 0.429 -7.427 6.977 1.00 0.00 H new ATOM 0 HB THR A 21 1.578 -6.358 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.992 -6.539 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.301 -8.153 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.558 -8.809 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.146 -8.816 4.846 1.00 0.00 H new ATOM 325 N SER A 22 2.368 -8.942 7.282 1.00 0.00 N ATOM 326 CA SER A 22 3.455 -9.881 7.420 1.00 0.00 C ATOM 327 C SER A 22 3.484 -10.824 6.230 1.00 0.00 C ATOM 328 O SER A 22 2.528 -10.874 5.450 1.00 0.00 O ATOM 329 CB SER A 22 3.294 -10.683 8.710 1.00 0.00 C ATOM 330 OG SER A 22 2.029 -11.327 8.748 1.00 0.00 O ATOM 0 H SER A 22 1.538 -9.170 7.829 1.00 0.00 H new ATOM 0 HA SER A 22 4.393 -9.328 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.088 -11.426 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.396 -10.021 9.570 1.00 0.00 H new ATOM 0 HG SER A 22 1.880 -11.703 9.641 1.00 0.00 H new ATOM 336 N ILE A 23 4.572 -11.565 6.083 1.00 0.00 N ATOM 337 CA ILE A 23 4.668 -12.558 5.024 1.00 0.00 C ATOM 338 C ILE A 23 3.605 -13.630 5.253 1.00 0.00 C ATOM 339 O ILE A 23 3.093 -14.237 4.312 1.00 0.00 O ATOM 340 CB ILE A 23 6.078 -13.204 4.974 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.157 -12.118 4.874 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.194 -14.177 3.802 1.00 0.00 C ATOM 343 CD1 ILE A 23 7.018 -11.213 3.665 1.00 0.00 C ATOM 0 H ILE A 23 5.396 -11.498 6.680 1.00 0.00 H new ATOM 0 HA ILE A 23 4.502 -12.064 4.066 1.00 0.00 H new ATOM 0 HB ILE A 23 6.227 -13.766 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.127 -11.507 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.136 -12.596 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.192 -14.615 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.452 -14.968 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.021 -13.643 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.819 -10.474 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.080 -11.810 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.055 -10.704 3.700 1.00 0.00 H new ATOM 355 N PHE A 24 3.268 -13.829 6.527 1.00 0.00 N ATOM 356 CA PHE A 24 2.214 -14.739 6.930 1.00 0.00 C ATOM 357 C PHE A 24 0.897 -14.304 6.297 1.00 0.00 C ATOM 358 O PHE A 24 0.209 -15.095 5.645 1.00 0.00 O ATOM 359 CB PHE A 24 2.090 -14.719 8.458 1.00 0.00 C ATOM 360 CG PHE A 24 1.098 -15.692 9.014 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.336 -17.051 8.950 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.067 -15.246 9.615 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.434 -17.947 9.471 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.977 -16.140 10.137 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.726 -17.495 10.065 1.00 0.00 C ATOM 0 H PHE A 24 3.725 -13.357 7.307 1.00 0.00 H new ATOM 0 HA PHE A 24 2.452 -15.750 6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.068 -14.929 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.810 -13.714 8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.241 -17.413 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.265 -14.186 9.675 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.634 -19.007 9.415 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.884 -15.781 10.601 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.436 -18.200 10.473 1.00 0.00 H new ATOM 375 N GLN A 25 0.571 -13.028 6.479 1.00 0.00 N ATOM 376 CA GLN A 25 -0.645 -12.454 5.928 1.00 0.00 C ATOM 377 C GLN A 25 -0.581 -12.416 4.412 1.00 0.00 C ATOM 378 O GLN A 25 -1.533 -12.780 3.747 1.00 0.00 O ATOM 379 CB GLN A 25 -0.872 -11.043 6.475 1.00 0.00 C ATOM 380 CG GLN A 25 -1.089 -10.995 7.974 1.00 0.00 C ATOM 381 CD GLN A 25 -2.314 -11.769 8.405 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.242 -12.962 8.684 1.00 0.00 O ATOM 383 NE2 GLN A 25 -3.445 -11.099 8.465 1.00 0.00 N ATOM 0 H GLN A 25 1.141 -12.369 7.010 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.481 -13.086 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.012 -10.423 6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.738 -10.606 5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.211 -11.399 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.189 -9.957 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.464 -10.108 8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.303 -11.571 8.751 1.00 0.00 H new ATOM 392 N LEU A 26 0.558 -11.980 3.880 1.00 0.00 N ATOM 393 CA LEU A 26 0.757 -11.890 2.433 1.00 0.00 C ATOM 394 C LEU A 26 0.514 -13.240 1.766 1.00 0.00 C ATOM 395 O LEU A 26 -0.137 -13.319 0.720 1.00 0.00 O ATOM 396 CB LEU A 26 2.168 -11.377 2.118 1.00 0.00 C ATOM 397 CG LEU A 26 2.563 -11.340 0.638 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.571 -10.520 -0.172 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.963 -10.778 0.485 1.00 0.00 C ATOM 0 H LEU A 26 1.362 -11.682 4.432 1.00 0.00 H new ATOM 0 HA LEU A 26 0.033 -11.181 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.264 -10.370 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.886 -12.003 2.648 1.00 0.00 H new ATOM 0 HG LEU A 26 2.548 -12.360 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.876 -10.511 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.578 -10.962 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.547 -9.499 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.233 -10.756 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.995 -9.766 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.669 -11.407 1.027 1.00 0.00 H new ATOM 411 N LYS A 27 1.029 -14.297 2.382 1.00 0.00 N ATOM 412 CA LYS A 27 0.838 -15.648 1.880 1.00 0.00 C ATOM 413 C LYS A 27 -0.650 -15.970 1.800 1.00 0.00 C ATOM 414 O LYS A 27 -1.130 -16.489 0.794 1.00 0.00 O ATOM 415 CB LYS A 27 1.547 -16.650 2.793 1.00 0.00 C ATOM 416 CG LYS A 27 1.446 -18.095 2.327 1.00 0.00 C ATOM 417 CD LYS A 27 2.312 -19.019 3.174 1.00 0.00 C ATOM 418 CE LYS A 27 1.870 -19.039 4.632 1.00 0.00 C ATOM 419 NZ LYS A 27 0.484 -19.539 4.790 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.585 -14.241 3.235 1.00 0.00 H new ATOM 0 HA LYS A 27 1.266 -15.719 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.599 -16.376 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.126 -16.573 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.407 -18.422 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.752 -18.164 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.268 -20.030 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.352 -18.697 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.549 -19.668 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.941 -18.033 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.437 -20.178 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.160 -18.736 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.201 -20.054 3.932 1.00 0.00 H new ATOM 433 N GLU A 28 -1.373 -15.639 2.860 1.00 0.00 N ATOM 434 CA GLU A 28 -2.804 -15.864 2.913 1.00 0.00 C ATOM 435 C GLU A 28 -3.544 -14.985 1.909 1.00 0.00 C ATOM 436 O GLU A 28 -4.506 -15.426 1.284 1.00 0.00 O ATOM 437 CB GLU A 28 -3.332 -15.616 4.317 1.00 0.00 C ATOM 438 CG GLU A 28 -3.086 -16.760 5.284 1.00 0.00 C ATOM 439 CD GLU A 28 -3.760 -16.534 6.619 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.853 -15.914 6.640 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.215 -16.981 7.649 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.985 -15.210 3.700 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.984 -16.905 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.868 -14.713 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.404 -15.425 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.452 -17.689 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.013 -16.881 5.436 1.00 0.00 H new ATOM 448 N VAL A 29 -3.091 -13.742 1.760 1.00 0.00 N ATOM 449 CA VAL A 29 -3.699 -12.812 0.817 1.00 0.00 C ATOM 450 C VAL A 29 -3.632 -13.363 -0.601 1.00 0.00 C ATOM 451 O VAL A 29 -4.650 -13.478 -1.272 1.00 0.00 O ATOM 452 CB VAL A 29 -3.033 -11.407 0.861 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.592 -10.507 -0.234 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.242 -10.762 2.222 1.00 0.00 C ATOM 0 H VAL A 29 -2.304 -13.357 2.282 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.741 -12.699 1.117 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.964 -11.535 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.111 -9.530 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.399 -10.956 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.667 -10.390 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.770 -9.780 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.310 -10.654 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.797 -11.389 2.994 1.00 0.00 H new ATOM 464 N VAL A 30 -2.441 -13.730 -1.042 1.00 0.00 N ATOM 465 CA VAL A 30 -2.270 -14.271 -2.384 1.00 0.00 C ATOM 466 C VAL A 30 -3.048 -15.577 -2.540 1.00 0.00 C ATOM 467 O VAL A 30 -3.661 -15.830 -3.584 1.00 0.00 O ATOM 468 CB VAL A 30 -0.779 -14.501 -2.723 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.623 -15.068 -4.130 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.001 -13.201 -2.583 1.00 0.00 C ATOM 0 H VAL A 30 -1.582 -13.665 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.664 -13.534 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.375 -15.228 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.434 -15.221 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.149 -16.020 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.043 -14.368 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.047 -13.377 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.411 -12.456 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.081 -12.837 -1.559 1.00 0.00 H new ATOM 480 N ALA A 31 -3.050 -16.383 -1.488 1.00 0.00 N ATOM 481 CA ALA A 31 -3.753 -17.654 -1.490 1.00 0.00 C ATOM 482 C ALA A 31 -5.253 -17.465 -1.666 1.00 0.00 C ATOM 483 O ALA A 31 -5.885 -18.163 -2.456 1.00 0.00 O ATOM 484 CB ALA A 31 -3.478 -18.413 -0.207 1.00 0.00 C ATOM 0 H ALA A 31 -2.567 -16.174 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.383 -18.231 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.012 -19.363 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.408 -18.600 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.816 -17.823 0.645 1.00 0.00 H new ATOM 490 N LYS A 32 -5.813 -16.510 -0.933 1.00 0.00 N ATOM 491 CA LYS A 32 -7.247 -16.254 -0.975 1.00 0.00 C ATOM 492 C LYS A 32 -7.657 -15.644 -2.316 1.00 0.00 C ATOM 493 O LYS A 32 -8.779 -15.846 -2.780 1.00 0.00 O ATOM 494 CB LYS A 32 -7.666 -15.328 0.180 1.00 0.00 C ATOM 495 CG LYS A 32 -7.419 -13.853 -0.087 1.00 0.00 C ATOM 496 CD LYS A 32 -7.455 -12.998 1.175 1.00 0.00 C ATOM 497 CE LYS A 32 -8.784 -13.090 1.929 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.879 -14.303 2.794 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.295 -15.899 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.760 -17.209 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.726 -15.477 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.124 -15.619 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.449 -13.736 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.170 -13.487 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.647 -13.306 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.268 -11.958 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.908 -12.200 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.604 -13.097 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.548 -14.978 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.942 -14.748 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.213 -14.029 3.740 1.00 0.00 H new ATOM 512 N ARG A 33 -6.740 -14.898 -2.933 1.00 0.00 N ATOM 513 CA ARG A 33 -7.015 -14.273 -4.220 1.00 0.00 C ATOM 514 C ARG A 33 -7.209 -15.340 -5.283 1.00 0.00 C ATOM 515 O ARG A 33 -8.129 -15.275 -6.096 1.00 0.00 O ATOM 516 CB ARG A 33 -5.863 -13.361 -4.650 1.00 0.00 C ATOM 517 CG ARG A 33 -5.605 -12.190 -3.723 1.00 0.00 C ATOM 518 CD ARG A 33 -4.413 -11.368 -4.194 1.00 0.00 C ATOM 519 NE ARG A 33 -4.741 -10.509 -5.334 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.382 -10.742 -6.599 1.00 0.00 C ATOM 521 NH1 ARG A 33 -3.746 -11.864 -6.927 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -4.673 -9.857 -7.542 1.00 0.00 N ATOM 0 H ARG A 33 -5.807 -14.715 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.921 -13.676 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.953 -13.957 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.074 -12.978 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.491 -11.557 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.422 -12.556 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.052 -10.752 -3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.599 -12.039 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.286 -9.667 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.528 -12.555 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.476 -12.033 -7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.170 -9.000 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.400 -10.033 -8.509 1.00 0.00 H new ATOM 536 N GLN A 34 -6.332 -16.321 -5.257 1.00 0.00 N ATOM 537 CA GLN A 34 -6.343 -17.389 -6.237 1.00 0.00 C ATOM 538 C GLN A 34 -7.358 -18.465 -5.869 1.00 0.00 C ATOM 539 O GLN A 34 -7.991 -19.061 -6.738 1.00 0.00 O ATOM 540 CB GLN A 34 -4.947 -18.002 -6.339 1.00 0.00 C ATOM 541 CG GLN A 34 -3.852 -16.991 -6.645 1.00 0.00 C ATOM 542 CD GLN A 34 -4.015 -16.344 -8.002 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.631 -15.288 -8.129 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.478 -16.978 -9.022 1.00 0.00 N ATOM 0 H GLN A 34 -5.593 -16.402 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.632 -16.970 -7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.712 -18.505 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.952 -18.765 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.852 -16.218 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.882 -17.487 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.975 -17.852 -8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.565 -16.595 -9.963 1.00 0.00 H new ATOM 553 N GLY A 35 -7.521 -18.694 -4.581 1.00 0.00 N ATOM 554 CA GLY A 35 -8.419 -19.726 -4.123 1.00 0.00 C ATOM 555 C GLY A 35 -7.675 -21.020 -3.897 1.00 0.00 C ATOM 556 O GLY A 35 -8.152 -22.097 -4.256 1.00 0.00 O ATOM 0 H GLY A 35 -7.045 -18.181 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.900 -19.411 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.210 -19.879 -4.857 1.00 0.00 H new ATOM 560 N VAL A 36 -6.497 -20.907 -3.310 1.00 0.00 N ATOM 561 CA VAL A 36 -5.644 -22.055 -3.060 1.00 0.00 C ATOM 562 C VAL A 36 -5.366 -22.198 -1.560 1.00 0.00 C ATOM 563 O VAL A 36 -5.479 -21.220 -0.811 1.00 0.00 O ATOM 564 CB VAL A 36 -4.299 -21.923 -3.829 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.553 -21.772 -5.322 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.488 -20.744 -3.306 1.00 0.00 C ATOM 0 H VAL A 36 -6.106 -20.020 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.166 -22.944 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.722 -22.833 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.601 -21.681 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.087 -22.648 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.152 -20.879 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.552 -20.672 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.058 -19.824 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.273 -20.891 -2.247 1.00 0.00 H new ATOM 576 N PRO A 37 -5.030 -23.420 -1.098 1.00 0.00 N ATOM 577 CA PRO A 37 -4.701 -23.671 0.310 1.00 0.00 C ATOM 578 C PRO A 37 -3.444 -22.912 0.739 1.00 0.00 C ATOM 579 O PRO A 37 -2.358 -23.119 0.189 1.00 0.00 O ATOM 580 CB PRO A 37 -4.463 -25.187 0.366 1.00 0.00 C ATOM 581 CG PRO A 37 -4.176 -25.584 -1.043 1.00 0.00 C ATOM 582 CD PRO A 37 -4.967 -24.650 -1.907 1.00 0.00 C ATOM 0 HA PRO A 37 -5.490 -23.336 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.628 -25.432 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.337 -25.710 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.111 -25.508 -1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.465 -26.620 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.479 -24.477 -2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.961 -25.043 -2.121 1.00 0.00 H new ATOM 590 N ALA A 38 -3.600 -22.038 1.717 1.00 0.00 N ATOM 591 CA ALA A 38 -2.507 -21.202 2.187 1.00 0.00 C ATOM 592 C ALA A 38 -1.515 -21.970 3.056 1.00 0.00 C ATOM 593 O ALA A 38 -0.362 -21.557 3.200 1.00 0.00 O ATOM 594 CB ALA A 38 -3.056 -20.005 2.948 1.00 0.00 C ATOM 0 H ALA A 38 -4.482 -21.887 2.206 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.962 -20.859 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.230 -19.385 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.698 -19.419 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.635 -20.352 3.804 1.00 0.00 H new ATOM 600 N ASP A 39 -1.953 -23.080 3.629 1.00 0.00 N ATOM 601 CA ASP A 39 -1.092 -23.869 4.509 1.00 0.00 C ATOM 602 C ASP A 39 0.018 -24.559 3.728 1.00 0.00 C ATOM 603 O ASP A 39 1.192 -24.443 4.075 1.00 0.00 O ATOM 604 CB ASP A 39 -1.903 -24.896 5.297 1.00 0.00 C ATOM 605 CG ASP A 39 -1.048 -25.698 6.256 1.00 0.00 C ATOM 606 OD1 ASP A 39 -0.843 -26.906 6.012 1.00 0.00 O ATOM 607 OD2 ASP A 39 -0.579 -25.128 7.259 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.893 -23.457 3.505 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.631 -23.178 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.687 -24.384 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.398 -25.574 4.602 1.00 0.00 H new ATOM 612 N GLN A 40 -0.346 -25.264 2.667 1.00 0.00 N ATOM 613 CA GLN A 40 0.645 -25.954 1.849 1.00 0.00 C ATOM 614 C GLN A 40 1.165 -25.038 0.732 1.00 0.00 C ATOM 615 O GLN A 40 1.700 -25.502 -0.284 1.00 0.00 O ATOM 616 CB GLN A 40 0.075 -27.267 1.283 1.00 0.00 C ATOM 617 CG GLN A 40 -1.007 -27.099 0.229 1.00 0.00 C ATOM 618 CD GLN A 40 -1.685 -28.415 -0.106 1.00 0.00 C ATOM 619 OE1 GLN A 40 -1.227 -29.165 -0.957 1.00 0.00 O ATOM 620 NE2 GLN A 40 -2.784 -28.694 0.554 1.00 0.00 N ATOM 0 H GLN A 40 -1.310 -25.374 2.353 1.00 0.00 H new ATOM 0 HA GLN A 40 1.492 -26.212 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.893 -27.844 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.330 -27.854 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.752 -26.388 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.569 -26.676 -0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.136 -28.044 1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.287 -29.561 0.364 1.00 0.00 H new ATOM 629 N LEU A 41 1.022 -23.739 0.944 1.00 0.00 N ATOM 630 CA LEU A 41 1.501 -22.740 0.006 1.00 0.00 C ATOM 631 C LEU A 41 2.908 -22.307 0.407 1.00 0.00 C ATOM 632 O LEU A 41 3.192 -22.127 1.594 1.00 0.00 O ATOM 633 CB LEU A 41 0.556 -21.536 -0.003 1.00 0.00 C ATOM 634 CG LEU A 41 0.844 -20.469 -1.056 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.673 -21.040 -2.448 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.064 -19.272 -0.862 1.00 0.00 C ATOM 0 H LEU A 41 0.570 -23.349 1.771 1.00 0.00 H new ATOM 0 HA LEU A 41 1.529 -23.165 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.461 -21.899 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.588 -21.066 0.980 1.00 0.00 H new ATOM 0 HG LEU A 41 1.877 -20.141 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.882 -20.266 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.364 -21.871 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.350 -21.394 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.156 -18.522 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.104 -19.586 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.102 -18.846 0.127 1.00 0.00 H new ATOM 648 N ARG A 42 3.781 -22.145 -0.565 1.00 0.00 N ATOM 649 CA ARG A 42 5.163 -21.795 -0.285 1.00 0.00 C ATOM 650 C ARG A 42 5.554 -20.470 -0.927 1.00 0.00 C ATOM 651 O ARG A 42 5.390 -20.275 -2.133 1.00 0.00 O ATOM 652 CB ARG A 42 6.092 -22.916 -0.769 1.00 0.00 C ATOM 653 CG ARG A 42 7.582 -22.639 -0.575 1.00 0.00 C ATOM 654 CD ARG A 42 7.926 -22.342 0.880 1.00 0.00 C ATOM 655 NE ARG A 42 7.372 -23.341 1.795 1.00 0.00 N ATOM 656 CZ ARG A 42 8.088 -24.070 2.654 1.00 0.00 C ATOM 657 NH1 ARG A 42 9.410 -23.956 2.697 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 7.471 -24.916 3.466 1.00 0.00 N ATOM 0 H ARG A 42 3.561 -22.249 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 42 5.266 -21.677 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.836 -23.835 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.904 -23.093 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.157 -23.500 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.877 -21.794 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.009 -22.307 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.545 -21.356 1.147 1.00 0.00 H new ATOM 0 HE ARG A 42 6.363 -23.491 1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.887 -23.307 2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.949 -24.517 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.456 -25.007 3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.011 -25.476 4.125 1.00 0.00 H new ATOM 672 N VAL A 43 6.060 -19.561 -0.108 1.00 0.00 N ATOM 673 CA VAL A 43 6.545 -18.280 -0.584 1.00 0.00 C ATOM 674 C VAL A 43 8.062 -18.340 -0.761 1.00 0.00 C ATOM 675 O VAL A 43 8.773 -18.841 0.108 1.00 0.00 O ATOM 676 CB VAL A 43 6.171 -17.122 0.387 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.662 -16.943 0.447 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.728 -17.373 1.785 1.00 0.00 C ATOM 0 H VAL A 43 6.145 -19.692 0.900 1.00 0.00 H new ATOM 0 HA VAL A 43 6.066 -18.075 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 43 6.619 -16.206 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.419 -16.129 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.284 -16.707 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.200 -17.865 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.451 -16.548 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.318 -18.303 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.814 -17.448 1.736 1.00 0.00 H new ATOM 688 N ILE A 44 8.546 -17.860 -1.885 1.00 0.00 N ATOM 689 CA ILE A 44 9.966 -17.898 -2.188 1.00 0.00 C ATOM 690 C ILE A 44 10.465 -16.534 -2.650 1.00 0.00 C ATOM 691 O ILE A 44 9.808 -15.845 -3.432 1.00 0.00 O ATOM 692 CB ILE A 44 10.279 -18.962 -3.284 1.00 0.00 C ATOM 693 CG1 ILE A 44 9.957 -20.373 -2.782 1.00 0.00 C ATOM 694 CG2 ILE A 44 11.733 -18.880 -3.736 1.00 0.00 C ATOM 695 CD1 ILE A 44 10.800 -20.811 -1.598 1.00 0.00 C ATOM 0 H ILE A 44 7.973 -17.434 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 44 10.484 -18.173 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 44 9.644 -18.746 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.904 -20.417 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.100 -21.080 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.920 -19.634 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.931 -17.890 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.389 -19.057 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.513 -21.820 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.853 -20.801 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.639 -20.128 -0.764 1.00 0.00 H new ATOM 707 N PHE A 45 11.613 -16.148 -2.146 1.00 0.00 N ATOM 708 CA PHE A 45 12.244 -14.912 -2.526 1.00 0.00 C ATOM 709 C PHE A 45 13.745 -15.131 -2.638 1.00 0.00 C ATOM 710 O PHE A 45 14.409 -15.433 -1.642 1.00 0.00 O ATOM 711 CB PHE A 45 11.932 -13.816 -1.504 1.00 0.00 C ATOM 712 CG PHE A 45 12.501 -12.472 -1.863 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.938 -11.716 -2.877 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.597 -11.965 -1.184 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.455 -10.480 -3.207 1.00 0.00 C ATOM 716 CE2 PHE A 45 14.119 -10.730 -1.509 1.00 0.00 C ATOM 717 CZ PHE A 45 13.548 -9.987 -2.521 1.00 0.00 C ATOM 0 H PHE A 45 12.137 -16.688 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 45 11.856 -14.589 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.851 -13.726 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 45 12.322 -14.117 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.084 -12.098 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 45 14.048 -12.543 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.006 -9.900 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.973 -10.346 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.955 -9.020 -2.777 1.00 0.00 H new ATOM 727 N ALA A 46 14.264 -15.023 -3.857 1.00 0.00 N ATOM 728 CA ALA A 46 15.694 -15.203 -4.134 1.00 0.00 C ATOM 729 C ALA A 46 16.155 -16.635 -3.835 1.00 0.00 C ATOM 730 O ALA A 46 17.340 -16.883 -3.606 1.00 0.00 O ATOM 731 CB ALA A 46 16.529 -14.188 -3.354 1.00 0.00 C ATOM 0 H ALA A 46 13.708 -14.808 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 46 15.846 -15.028 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.586 -14.340 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.239 -13.178 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.359 -14.321 -2.286 1.00 0.00 H new ATOM 737 N GLY A 47 15.214 -17.570 -3.847 1.00 0.00 N ATOM 738 CA GLY A 47 15.547 -18.966 -3.619 1.00 0.00 C ATOM 739 C GLY A 47 15.198 -19.455 -2.224 1.00 0.00 C ATOM 740 O GLY A 47 15.127 -20.659 -1.988 1.00 0.00 O ATOM 0 H GLY A 47 14.224 -17.388 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.023 -19.580 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.614 -19.108 -3.788 1.00 0.00 H new ATOM 744 N LYS A 48 14.977 -18.538 -1.303 1.00 0.00 N ATOM 745 CA LYS A 48 14.661 -18.912 0.070 1.00 0.00 C ATOM 746 C LYS A 48 13.301 -18.372 0.490 1.00 0.00 C ATOM 747 O LYS A 48 12.790 -17.432 -0.110 1.00 0.00 O ATOM 748 CB LYS A 48 15.776 -18.436 1.031 1.00 0.00 C ATOM 749 CG LYS A 48 16.180 -16.963 0.878 1.00 0.00 C ATOM 750 CD LYS A 48 15.181 -16.017 1.532 1.00 0.00 C ATOM 751 CE LYS A 48 15.496 -14.562 1.212 1.00 0.00 C ATOM 752 NZ LYS A 48 16.842 -14.159 1.684 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.009 -17.533 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 48 14.609 -19.999 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.446 -18.602 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.658 -19.057 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.164 -16.811 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.266 -16.721 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.174 -16.256 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.193 -16.164 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.430 -14.407 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.745 -13.920 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.964 -13.135 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.940 -14.391 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.568 -14.668 1.140 1.00 0.00 H new ATOM 766 N GLU A 49 12.713 -18.973 1.507 1.00 0.00 N ATOM 767 CA GLU A 49 11.427 -18.521 2.004 1.00 0.00 C ATOM 768 C GLU A 49 11.619 -17.494 3.107 1.00 0.00 C ATOM 769 O GLU A 49 12.595 -17.548 3.856 1.00 0.00 O ATOM 770 CB GLU A 49 10.547 -19.693 2.495 1.00 0.00 C ATOM 771 CG GLU A 49 11.156 -20.552 3.598 1.00 0.00 C ATOM 772 CD GLU A 49 12.263 -21.449 3.101 1.00 0.00 C ATOM 773 OE1 GLU A 49 11.955 -22.509 2.522 1.00 0.00 O ATOM 774 OE2 GLU A 49 13.449 -21.097 3.281 1.00 0.00 O1- ATOM 0 H GLU A 49 13.104 -19.773 2.004 1.00 0.00 H new ATOM 0 HA GLU A 49 10.901 -18.054 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.601 -19.289 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.318 -20.334 1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.545 -19.904 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.374 -21.164 4.048 1.00 0.00 H new ATOM 781 N LEU A 50 10.705 -16.556 3.195 1.00 0.00 N ATOM 782 CA LEU A 50 10.786 -15.507 4.196 1.00 0.00 C ATOM 783 C LEU A 50 10.046 -15.918 5.449 1.00 0.00 C ATOM 784 O LEU A 50 9.084 -16.686 5.381 1.00 0.00 O ATOM 785 CB LEU A 50 10.186 -14.209 3.653 1.00 0.00 C ATOM 786 CG LEU A 50 10.737 -13.722 2.315 1.00 0.00 C ATOM 787 CD1 LEU A 50 10.034 -12.450 1.880 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.237 -13.499 2.396 1.00 0.00 C ATOM 0 H LEU A 50 9.891 -16.494 2.584 1.00 0.00 H new ATOM 0 HA LEU A 50 11.836 -15.344 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.109 -14.345 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.340 -13.424 4.393 1.00 0.00 H new ATOM 0 HG LEU A 50 10.548 -14.494 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.440 -12.118 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.966 -12.643 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.189 -11.674 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.606 -13.152 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.453 -12.749 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.730 -14.435 2.658 1.00 0.00 H new ATOM 800 N ARG A 51 10.497 -15.424 6.592 1.00 0.00 N ATOM 801 CA ARG A 51 9.831 -15.711 7.850 1.00 0.00 C ATOM 802 C ARG A 51 8.417 -15.152 7.838 1.00 0.00 C ATOM 803 O ARG A 51 8.191 -14.005 7.438 1.00 0.00 O ATOM 804 CB ARG A 51 10.618 -15.179 9.067 1.00 0.00 C ATOM 805 CG ARG A 51 10.828 -13.666 9.113 1.00 0.00 C ATOM 806 CD ARG A 51 11.971 -13.216 8.218 1.00 0.00 C ATOM 807 NE ARG A 51 13.197 -13.962 8.487 1.00 0.00 N ATOM 808 CZ ARG A 51 14.273 -13.949 7.705 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.305 -13.183 6.620 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.319 -14.696 8.012 1.00 0.00 N ATOM 0 H ARG A 51 11.318 -14.825 6.673 1.00 0.00 H new ATOM 0 HA ARG A 51 9.785 -16.795 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.096 -15.482 9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.594 -15.663 9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.910 -13.164 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.031 -13.360 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.688 -13.347 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.153 -12.152 8.368 1.00 0.00 H new ATOM 0 HE ARG A 51 13.231 -14.532 9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.502 -12.601 6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.133 -13.177 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.300 -15.281 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.145 -14.687 7.414 1.00 0.00 H new ATOM 824 N ASN A 52 7.478 -15.970 8.265 1.00 0.00 N ATOM 825 CA ASN A 52 6.067 -15.608 8.264 1.00 0.00 C ATOM 826 C ASN A 52 5.772 -14.438 9.208 1.00 0.00 C ATOM 827 O ASN A 52 5.017 -13.524 8.860 1.00 0.00 O ATOM 828 CB ASN A 52 5.193 -16.830 8.621 1.00 0.00 C ATOM 829 CG ASN A 52 5.464 -17.398 10.014 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.589 -17.340 10.524 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.439 -17.955 10.631 1.00 0.00 N ATOM 0 H ASN A 52 7.666 -16.906 8.624 1.00 0.00 H new ATOM 0 HA ASN A 52 5.817 -15.280 7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.143 -16.546 8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.360 -17.613 7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.560 -18.356 11.561 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.526 -17.984 10.178 1.00 0.00 H new ATOM 838 N ASP A 53 6.393 -14.445 10.374 1.00 0.00 N ATOM 839 CA ASP A 53 6.154 -13.417 11.369 1.00 0.00 C ATOM 840 C ASP A 53 7.113 -12.261 11.186 1.00 0.00 C ATOM 841 O ASP A 53 8.062 -12.081 11.951 1.00 0.00 O ATOM 842 CB ASP A 53 6.244 -13.990 12.794 1.00 0.00 C ATOM 843 CG ASP A 53 5.956 -12.952 13.871 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.811 -12.448 13.931 1.00 0.00 O ATOM 845 OD2 ASP A 53 6.869 -12.653 14.677 1.00 0.00 O1- ATOM 0 H ASP A 53 7.069 -15.155 10.655 1.00 0.00 H new ATOM 0 HA ASP A 53 5.140 -13.042 11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.538 -14.815 12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.240 -14.403 12.952 1.00 0.00 H new ATOM 850 N TRP A 54 6.901 -11.529 10.121 1.00 0.00 N ATOM 851 CA TRP A 54 7.686 -10.347 9.828 1.00 0.00 C ATOM 852 C TRP A 54 6.987 -9.494 8.780 1.00 0.00 C ATOM 853 O TRP A 54 6.477 -10.016 7.783 1.00 0.00 O ATOM 854 CB TRP A 54 9.089 -10.730 9.360 1.00 0.00 C ATOM 855 CG TRP A 54 10.037 -9.573 9.290 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.740 -9.149 8.203 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.378 -8.682 10.360 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.505 -8.059 8.531 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.298 -7.750 9.850 1.00 0.00 C ATOM 860 CE3 TRP A 54 9.995 -8.584 11.703 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.840 -6.736 10.631 1.00 0.00 C ATOM 862 CZ3 TRP A 54 10.532 -7.575 12.476 1.00 0.00 C ATOM 863 CH2 TRP A 54 11.447 -6.663 11.937 1.00 0.00 C ATOM 0 H TRP A 54 6.179 -11.733 9.429 1.00 0.00 H new ATOM 0 HA TRP A 54 7.782 -9.763 10.743 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.496 -11.481 10.037 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.020 -11.192 8.375 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.701 -9.605 7.225 1.00 0.00 H new ATOM 0 HE1 TRP A 54 12.127 -7.559 7.896 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.292 -9.286 12.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.547 -6.031 10.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.242 -7.488 13.513 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.851 -5.885 12.568 1.00 0.00 H new ATOM 874 N THR A 55 6.953 -8.192 9.019 1.00 0.00 N ATOM 875 CA THR A 55 6.289 -7.247 8.133 1.00 0.00 C ATOM 876 C THR A 55 6.968 -7.158 6.760 1.00 0.00 C ATOM 877 O THR A 55 8.204 -7.161 6.650 1.00 0.00 O ATOM 878 CB THR A 55 6.209 -5.833 8.768 1.00 0.00 C ATOM 879 OG1 THR A 55 5.644 -4.905 7.833 1.00 0.00 O ATOM 880 CG2 THR A 55 7.587 -5.342 9.206 1.00 0.00 C ATOM 0 H THR A 55 7.386 -7.759 9.835 1.00 0.00 H new ATOM 0 HA THR A 55 5.279 -7.628 7.986 1.00 0.00 H new ATOM 0 HB THR A 55 5.572 -5.899 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.049 -4.286 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.496 -4.349 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.001 -6.030 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.249 -5.296 8.341 1.00 0.00 H new ATOM 888 N VAL A 56 6.145 -7.068 5.720 1.00 0.00 N ATOM 889 CA VAL A 56 6.621 -6.953 4.353 1.00 0.00 C ATOM 890 C VAL A 56 7.229 -5.573 4.119 1.00 0.00 C ATOM 891 O VAL A 56 8.029 -5.375 3.200 1.00 0.00 O ATOM 892 CB VAL A 56 5.473 -7.206 3.331 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.410 -6.120 3.405 1.00 0.00 C ATOM 894 CG2 VAL A 56 6.018 -7.323 1.919 1.00 0.00 C ATOM 0 H VAL A 56 5.129 -7.073 5.805 1.00 0.00 H new ATOM 0 HA VAL A 56 7.386 -7.714 4.201 1.00 0.00 H new ATOM 0 HB VAL A 56 5.002 -8.152 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.625 -6.329 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.981 -6.099 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.862 -5.153 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.196 -7.499 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.529 -6.399 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.721 -8.155 1.868 1.00 0.00 H new ATOM 904 N GLN A 57 6.865 -4.629 4.981 1.00 0.00 N ATOM 905 CA GLN A 57 7.365 -3.270 4.895 1.00 0.00 C ATOM 906 C GLN A 57 8.882 -3.252 5.069 1.00 0.00 C ATOM 907 O GLN A 57 9.584 -2.486 4.418 1.00 0.00 O ATOM 908 CB GLN A 57 6.661 -2.394 5.956 1.00 0.00 C ATOM 909 CG GLN A 57 7.082 -0.924 5.993 1.00 0.00 C ATOM 910 CD GLN A 57 8.229 -0.660 6.956 1.00 0.00 C ATOM 911 OE1 GLN A 57 9.397 -0.692 6.578 1.00 0.00 O ATOM 912 NE2 GLN A 57 7.900 -0.402 8.205 1.00 0.00 N ATOM 0 H GLN A 57 6.218 -4.788 5.754 1.00 0.00 H new ATOM 0 HA GLN A 57 7.144 -2.859 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.586 -2.440 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.844 -2.829 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.376 -0.610 4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.226 -0.313 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.918 -0.384 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.627 -0.220 8.897 1.00 0.00 H new ATOM 921 N ASN A 58 9.381 -4.137 5.925 1.00 0.00 N ATOM 922 CA ASN A 58 10.816 -4.222 6.190 1.00 0.00 C ATOM 923 C ASN A 58 11.470 -5.229 5.231 1.00 0.00 C ATOM 924 O ASN A 58 12.685 -5.436 5.252 1.00 0.00 O ATOM 925 CB ASN A 58 11.056 -4.628 7.656 1.00 0.00 C ATOM 926 CG ASN A 58 12.382 -4.121 8.236 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.465 -3.819 9.427 1.00 0.00 O ATOM 928 ND2 ASN A 58 13.415 -4.036 7.422 1.00 0.00 N ATOM 0 H ASN A 58 8.815 -4.806 6.448 1.00 0.00 H new ATOM 0 HA ASN A 58 11.270 -3.245 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.236 -4.249 8.266 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.031 -5.715 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.316 -3.712 7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.313 -4.294 6.440 1.00 0.00 H new ATOM 935 N CYS A 59 10.652 -5.854 4.396 1.00 0.00 N ATOM 936 CA CYS A 59 11.142 -6.804 3.407 1.00 0.00 C ATOM 937 C CYS A 59 11.362 -6.092 2.073 1.00 0.00 C ATOM 938 O CYS A 59 12.255 -6.450 1.305 1.00 0.00 O ATOM 939 CB CYS A 59 10.153 -7.960 3.236 1.00 0.00 C ATOM 940 SG CYS A 59 9.782 -8.856 4.765 1.00 0.00 S ATOM 0 H CYS A 59 9.641 -5.719 4.384 1.00 0.00 H new ATOM 0 HA CYS A 59 12.091 -7.215 3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.223 -7.569 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.556 -8.662 2.506 1.00 0.00 H new ATOM 0 HG CYS A 59 9.080 -8.097 5.553 1.00 0.00 H new ATOM 946 N ASP A 60 10.530 -5.072 1.818 1.00 0.00 N ATOM 947 CA ASP A 60 10.621 -4.245 0.603 1.00 0.00 C ATOM 948 C ASP A 60 10.391 -5.062 -0.651 1.00 0.00 C ATOM 949 O ASP A 60 11.062 -4.865 -1.663 1.00 0.00 O ATOM 950 CB ASP A 60 11.976 -3.534 0.516 1.00 0.00 C ATOM 951 CG ASP A 60 12.199 -2.566 1.644 1.00 0.00 C ATOM 952 OD1 ASP A 60 11.750 -1.410 1.530 1.00 0.00 O ATOM 953 OD2 ASP A 60 12.830 -2.953 2.650 1.00 0.00 O1- ATOM 0 H ASP A 60 9.775 -4.796 2.446 1.00 0.00 H new ATOM 0 HA ASP A 60 9.833 -3.496 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.773 -4.278 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.041 -3.001 -0.433 1.00 0.00 H new ATOM 958 N LEU A 61 9.407 -5.944 -0.605 1.00 0.00 N ATOM 959 CA LEU A 61 9.088 -6.815 -1.742 1.00 0.00 C ATOM 960 C LEU A 61 8.532 -6.021 -2.936 1.00 0.00 C ATOM 961 O LEU A 61 8.185 -6.592 -3.969 1.00 0.00 O ATOM 962 CB LEU A 61 8.093 -7.902 -1.315 1.00 0.00 C ATOM 963 CG LEU A 61 8.598 -8.874 -0.236 1.00 0.00 C ATOM 964 CD1 LEU A 61 7.562 -9.947 0.052 1.00 0.00 C ATOM 965 CD2 LEU A 61 9.919 -9.504 -0.652 1.00 0.00 C ATOM 0 H LEU A 61 8.808 -6.082 0.209 1.00 0.00 H new ATOM 0 HA LEU A 61 10.016 -7.285 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.188 -7.418 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.811 -8.479 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 61 8.764 -8.305 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.942 -10.623 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.642 -9.480 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.358 -10.510 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.257 -10.188 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.783 -10.053 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.665 -8.723 -0.797 1.00 0.00 H new ATOM 977 N ASP A 62 8.452 -4.710 -2.782 1.00 0.00 N ATOM 978 CA ASP A 62 7.972 -3.839 -3.838 1.00 0.00 C ATOM 979 C ASP A 62 9.142 -3.153 -4.540 1.00 0.00 C ATOM 980 O ASP A 62 9.070 -2.840 -5.728 1.00 0.00 O ATOM 981 CB ASP A 62 7.026 -2.780 -3.263 1.00 0.00 C ATOM 982 CG ASP A 62 7.741 -1.722 -2.443 1.00 0.00 C ATOM 983 OD1 ASP A 62 8.370 -2.078 -1.413 1.00 0.00 O ATOM 984 OD2 ASP A 62 7.665 -0.536 -2.818 1.00 0.00 O1- ATOM 0 H ASP A 62 8.717 -4.223 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 62 7.432 -4.447 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.492 -2.297 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.278 -3.270 -2.639 1.00 0.00 H new ATOM 989 N GLN A 63 10.217 -2.932 -3.797 1.00 0.00 N ATOM 990 CA GLN A 63 11.395 -2.253 -4.325 1.00 0.00 C ATOM 991 C GLN A 63 12.505 -3.239 -4.646 1.00 0.00 C ATOM 992 O GLN A 63 13.478 -2.897 -5.312 1.00 0.00 O ATOM 993 CB GLN A 63 11.882 -1.204 -3.332 1.00 0.00 C ATOM 994 CG GLN A 63 10.962 -0.002 -3.221 1.00 0.00 C ATOM 995 CD GLN A 63 11.296 0.882 -2.044 1.00 0.00 C ATOM 996 OE1 GLN A 63 12.118 1.792 -2.146 1.00 0.00 O ATOM 997 NE2 GLN A 63 10.645 0.638 -0.929 1.00 0.00 N ATOM 0 H GLN A 63 10.299 -3.215 -2.820 1.00 0.00 H new ATOM 0 HA GLN A 63 11.114 -1.759 -5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.984 -1.665 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.874 -0.866 -3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.024 0.583 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.932 -0.346 -3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.972 -0.127 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.813 1.214 -0.104 1.00 0.00 H new ATOM 1006 N GLN A 64 12.365 -4.450 -4.157 1.00 0.00 N ATOM 1007 CA GLN A 64 13.327 -5.499 -4.434 1.00 0.00 C ATOM 1008 C GLN A 64 12.857 -6.328 -5.631 1.00 0.00 C ATOM 1009 O GLN A 64 12.119 -5.823 -6.491 1.00 0.00 O ATOM 1010 CB GLN A 64 13.515 -6.390 -3.199 1.00 0.00 C ATOM 1011 CG GLN A 64 14.120 -5.674 -1.995 1.00 0.00 C ATOM 1012 CD GLN A 64 15.497 -5.099 -2.282 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.515 -5.768 -2.101 1.00 0.00 O ATOM 1014 NE2 GLN A 64 15.539 -3.854 -2.714 1.00 0.00 N ATOM 0 H GLN A 64 11.589 -4.737 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 64 14.289 -5.047 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.548 -6.803 -2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.155 -7.231 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 64 13.453 -4.870 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.189 -6.372 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.673 -3.332 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.437 -3.412 -2.911 1.00 0.00 H new ATOM 1037 N ILE A 66 10.908 -9.665 -7.540 1.00 0.00 N ATOM 1038 CA ILE A 66 9.515 -10.052 -7.505 1.00 0.00 C ATOM 1039 C ILE A 66 9.342 -11.301 -6.635 1.00 0.00 C ATOM 1040 O ILE A 66 10.218 -12.177 -6.600 1.00 0.00 O ATOM 1041 CB ILE A 66 8.951 -10.281 -8.941 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.431 -10.375 -8.923 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.535 -11.531 -9.561 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.796 -10.270 -10.294 1.00 0.00 C ATOM 0 HA ILE A 66 8.942 -9.237 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 66 9.241 -9.422 -9.546 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.140 -11.323 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.035 -9.583 -8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.125 -11.667 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.619 -11.434 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.283 -12.394 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.713 -10.346 -10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.055 -9.311 -10.743 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.162 -11.078 -10.927 1.00 0.00 H new ATOM 1056 N VAL A 67 8.233 -11.366 -5.923 1.00 0.00 N ATOM 1057 CA VAL A 67 7.974 -12.459 -4.999 1.00 0.00 C ATOM 1058 C VAL A 67 7.446 -13.676 -5.737 1.00 0.00 C ATOM 1059 O VAL A 67 6.518 -13.571 -6.535 1.00 0.00 O ATOM 1060 CB VAL A 67 6.944 -12.048 -3.924 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.934 -13.038 -2.768 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.213 -10.638 -3.431 1.00 0.00 C ATOM 0 H VAL A 67 7.490 -10.669 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 67 8.921 -12.703 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 67 5.955 -12.063 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.200 -12.724 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.673 -14.029 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.922 -13.071 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.475 -10.370 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.212 -10.589 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.145 -9.941 -4.267 1.00 0.00 H new ATOM 1072 N HIS A 68 8.034 -14.819 -5.474 1.00 0.00 N ATOM 1073 CA HIS A 68 7.602 -16.052 -6.100 1.00 0.00 C ATOM 1074 C HIS A 68 6.793 -16.867 -5.111 1.00 0.00 C ATOM 1075 O HIS A 68 7.215 -17.078 -3.987 1.00 0.00 O ATOM 1076 CB HIS A 68 8.805 -16.877 -6.578 1.00 0.00 C ATOM 1077 CG HIS A 68 9.699 -16.175 -7.558 1.00 0.00 C ATOM 1078 ND1 HIS A 68 11.019 -16.534 -7.700 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.421 -15.165 -8.419 1.00 0.00 C ATOM 1080 CE1 HIS A 68 11.509 -15.741 -8.637 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.582 -14.901 -9.098 1.00 0.00 N ATOM 0 H HIS A 68 8.817 -14.924 -4.828 1.00 0.00 H new ATOM 0 HA HIS A 68 6.989 -15.801 -6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.397 -17.167 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.439 -17.796 -7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.471 -14.666 -8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.531 -15.770 -8.985 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.712 -14.194 -9.821 1.00 0.00 H new ATOM 1089 N ILE A 69 5.630 -17.296 -5.513 1.00 0.00 N ATOM 1090 CA ILE A 69 4.800 -18.111 -4.655 1.00 0.00 C ATOM 1091 C ILE A 69 4.340 -19.348 -5.402 1.00 0.00 C ATOM 1092 O ILE A 69 3.838 -19.252 -6.518 1.00 0.00 O ATOM 1093 CB ILE A 69 3.579 -17.323 -4.116 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.052 -16.131 -3.271 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.670 -18.230 -3.302 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.931 -15.362 -2.607 1.00 0.00 C ATOM 0 H ILE A 69 5.230 -17.097 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 69 5.401 -18.409 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 69 3.007 -16.945 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.735 -16.492 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.618 -15.450 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.819 -17.657 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.313 -19.046 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.225 -18.639 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.348 -14.537 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.259 -14.968 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.378 -16.026 -1.943 1.00 0.00 H new ATOM 1108 N VAL A 70 4.531 -20.501 -4.801 1.00 0.00 N ATOM 1109 CA VAL A 70 4.151 -21.749 -5.427 1.00 0.00 C ATOM 1110 C VAL A 70 3.272 -22.580 -4.494 1.00 0.00 C ATOM 1111 O VAL A 70 3.498 -22.628 -3.284 1.00 0.00 O ATOM 1112 CB VAL A 70 5.401 -22.568 -5.867 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.262 -22.958 -4.672 1.00 0.00 C ATOM 1114 CG2 VAL A 70 4.994 -23.798 -6.669 1.00 0.00 C ATOM 0 H VAL A 70 4.949 -20.601 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 70 3.576 -21.506 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 70 6.003 -21.927 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.125 -23.528 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.602 -22.058 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.675 -23.567 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.886 -24.352 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.356 -24.436 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.449 -23.487 -7.560 1.00 0.00 H new ATOM 1124 N GLN A 71 2.257 -23.204 -5.057 1.00 0.00 N ATOM 1125 CA GLN A 71 1.348 -24.035 -4.291 1.00 0.00 C ATOM 1126 C GLN A 71 1.654 -25.493 -4.531 1.00 0.00 C ATOM 1127 O GLN A 71 2.289 -25.845 -5.524 1.00 0.00 O ATOM 1128 CB GLN A 71 -0.109 -23.764 -4.697 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.404 -24.093 -6.161 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.888 -24.113 -6.496 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.712 -24.508 -5.542 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -2.282 -23.797 -7.612 1.00 0.00 N flip ATOM 0 H GLN A 71 2.039 -23.151 -6.052 1.00 0.00 H new ATOM 0 HA GLN A 71 1.480 -23.794 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.771 -24.351 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.340 -22.714 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.093 -23.360 -6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.027 -25.066 -6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.614 -23.497 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.278 -23.834 -7.831 1.00 0.00 H new