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 Set 1.1: A 19 SER OG : rot -103:sc= 1.1 USER MOD Set 1.2: A 57 GLN : amide:sc= 0.899 K(o=2,f=-0.82) USER MOD Single : A 1 MET CE :methyl -126:sc= -0.761 (180deg=-3.3!) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.43 (180deg=2.05) USER MOD Single : A 8 ASN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 21 THR OG1 : rot -130:sc= 0.417 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0.0948 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc=-0.00289 (180deg=-0.0585) USER MOD Single : A 34 GLN :FLIP amide:sc= 0.762 F(o=0.22,f=0.76) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0303 K(o=-0.03,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot 117:sc= 0.799 USER MOD Single : A 58 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1) USER MOD Single : A 59 CYS SG : rot 54:sc= -0.0211 USER MOD Single : A 63 GLN : amide:sc= -0.0401 K(o=-0.04,f=-0.56) USER MOD Single : A 64 GLN : amide:sc= 0.226 K(o=0.23,f=-0.75) USER MOD Single : A 68 HIS : no HE2:sc= -0.39 X(o=-0.39,f=-0.59) USER MOD Single : A 71 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.037 -0.446 0.389 1.00 0.00 N ATOM 2 CA MET A 1 2.291 -0.910 -0.229 1.00 0.00 C ATOM 3 C MET A 1 2.007 -1.992 -1.259 1.00 0.00 C ATOM 4 O MET A 1 1.470 -3.046 -0.934 1.00 0.00 O ATOM 5 CB MET A 1 3.228 -1.457 0.847 1.00 0.00 C ATOM 6 CG MET A 1 4.528 -2.033 0.312 1.00 0.00 C ATOM 7 SD MET A 1 5.520 -2.806 1.604 1.00 0.00 S ATOM 8 CE MET A 1 6.907 -3.412 0.650 1.00 0.00 C ATOM 0 H1 MET A 1 1.211 0.440 0.905 1.00 0.00 H new ATOM 0 H2 MET A 1 0.325 -0.281 -0.351 1.00 0.00 H new ATOM 0 H3 MET A 1 0.688 -1.169 1.050 1.00 0.00 H new ATOM 0 HA MET A 1 2.766 -0.066 -0.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.461 -0.657 1.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.705 -2.232 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.305 -2.769 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.107 -1.239 -0.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.038 -4.478 0.835 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.718 -3.249 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.811 -2.879 0.944 1.00 0.00 H new ATOM 20 N ILE A 2 2.360 -1.724 -2.494 1.00 0.00 N ATOM 21 CA ILE A 2 2.156 -2.677 -3.570 1.00 0.00 C ATOM 22 C ILE A 2 3.420 -3.469 -3.822 1.00 0.00 C ATOM 23 O ILE A 2 4.474 -2.897 -4.094 1.00 0.00 O ATOM 24 CB ILE A 2 1.724 -1.983 -4.889 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.314 -1.422 -4.758 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.801 -2.955 -6.068 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.164 -0.672 -5.982 1.00 0.00 C ATOM 0 H ILE A 2 2.794 -0.848 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 2 1.354 -3.344 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 2 2.412 -1.160 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.375 -2.242 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.278 -0.754 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.493 -2.445 -6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.825 -3.312 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.140 -3.802 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.175 -0.304 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.501 0.170 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.162 -1.341 -6.842 1.00 0.00 H new ATOM 39 N VAL A 3 3.317 -4.771 -3.715 1.00 0.00 N ATOM 40 CA VAL A 3 4.432 -5.644 -3.998 1.00 0.00 C ATOM 41 C VAL A 3 4.103 -6.537 -5.180 1.00 0.00 C ATOM 42 O VAL A 3 2.981 -7.038 -5.303 1.00 0.00 O ATOM 43 CB VAL A 3 4.834 -6.513 -2.773 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.366 -5.642 -1.652 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.665 -7.352 -2.279 1.00 0.00 C ATOM 0 H VAL A 3 2.465 -5.254 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 3 5.285 -5.010 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 3 5.623 -7.192 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.642 -6.269 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.243 -5.096 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.596 -4.934 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.981 -7.947 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.846 -6.696 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.330 -8.014 -3.077 1.00 0.00 H new ATOM 55 N PHE A 4 5.054 -6.701 -6.065 1.00 0.00 N ATOM 56 CA PHE A 4 4.863 -7.540 -7.227 1.00 0.00 C ATOM 57 C PHE A 4 5.053 -8.995 -6.849 1.00 0.00 C ATOM 58 O PHE A 4 6.045 -9.353 -6.211 1.00 0.00 O ATOM 59 CB PHE A 4 5.820 -7.131 -8.346 1.00 0.00 C ATOM 60 CG PHE A 4 5.470 -5.820 -8.991 1.00 0.00 C ATOM 61 CD1 PHE A 4 5.747 -4.620 -8.356 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.861 -5.789 -10.234 1.00 0.00 C ATOM 63 CE1 PHE A 4 5.422 -3.417 -8.948 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.535 -4.588 -10.831 1.00 0.00 C ATOM 65 CZ PHE A 4 4.816 -3.400 -10.187 1.00 0.00 C ATOM 0 H PHE A 4 5.973 -6.263 -6.005 1.00 0.00 H new ATOM 0 HA PHE A 4 3.846 -7.411 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.831 -7.069 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.828 -7.910 -9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.223 -4.627 -7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.638 -6.715 -10.742 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.642 -2.489 -8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.060 -4.578 -11.801 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.562 -2.459 -10.652 1.00 0.00 H new ATOM 75 N VAL A 5 4.104 -9.830 -7.226 1.00 0.00 N ATOM 76 CA VAL A 5 4.137 -11.233 -6.858 1.00 0.00 C ATOM 77 C VAL A 5 3.876 -12.131 -8.066 1.00 0.00 C ATOM 78 O VAL A 5 3.013 -11.842 -8.892 1.00 0.00 O ATOM 79 CB VAL A 5 3.077 -11.523 -5.762 1.00 0.00 C ATOM 80 CG1 VAL A 5 3.080 -12.979 -5.357 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.302 -10.638 -4.552 1.00 0.00 C ATOM 0 H VAL A 5 3.298 -9.560 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 5 5.133 -11.452 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 5 2.098 -11.297 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.325 -13.144 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.855 -13.599 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.062 -13.246 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.548 -10.857 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.294 -10.828 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.226 -9.592 -4.847 1.00 0.00 H new ATOM 91 N ARG A 6 4.644 -13.204 -8.171 1.00 0.00 N ATOM 92 CA ARG A 6 4.470 -14.174 -9.235 1.00 0.00 C ATOM 93 C ARG A 6 4.051 -15.505 -8.655 1.00 0.00 C ATOM 94 O ARG A 6 4.631 -15.972 -7.678 1.00 0.00 O ATOM 95 CB ARG A 6 5.763 -14.374 -10.024 1.00 0.00 C ATOM 96 CG ARG A 6 6.374 -13.107 -10.564 1.00 0.00 C ATOM 97 CD ARG A 6 7.472 -13.419 -11.572 1.00 0.00 C ATOM 98 NE ARG A 6 6.924 -14.017 -12.790 1.00 0.00 N ATOM 99 CZ ARG A 6 7.504 -14.988 -13.498 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.692 -15.463 -13.144 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 6.894 -15.476 -14.571 1.00 0.00 N ATOM 0 H ARG A 6 5.401 -13.424 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 6 3.701 -13.791 -9.906 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.492 -14.867 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.564 -15.049 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.602 -12.500 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.785 -12.518 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.008 -12.504 -11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.196 -14.100 -11.125 1.00 0.00 H new ATOM 0 HE ARG A 6 6.028 -13.664 -13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.169 -15.086 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.128 -16.205 -13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.985 -15.109 -14.852 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.334 -16.218 -15.115 1.00 0.00 H new ATOM 115 N PHE A 7 3.053 -16.106 -9.244 1.00 0.00 N ATOM 116 CA PHE A 7 2.606 -17.413 -8.826 1.00 0.00 C ATOM 117 C PHE A 7 3.136 -18.445 -9.810 1.00 0.00 C ATOM 118 O PHE A 7 3.357 -18.128 -10.970 1.00 0.00 O ATOM 119 CB PHE A 7 1.072 -17.462 -8.752 1.00 0.00 C ATOM 120 CG PHE A 7 0.529 -18.718 -8.129 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.615 -18.918 -6.763 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.072 -19.692 -8.907 1.00 0.00 C ATOM 123 CE1 PHE A 7 0.115 -20.066 -6.184 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.575 -20.844 -8.335 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.480 -21.031 -6.971 1.00 0.00 C ATOM 0 H PHE A 7 2.527 -15.709 -10.023 1.00 0.00 H new ATOM 0 HA PHE A 7 2.988 -17.632 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.719 -16.603 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.667 -17.364 -9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.079 -18.166 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.149 -19.549 -9.975 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.189 -20.209 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.041 -21.597 -8.953 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.871 -21.931 -6.520 1.00 0.00 H new ATOM 135 N ASN A 8 3.350 -19.666 -9.343 1.00 0.00 N ATOM 136 CA ASN A 8 3.887 -20.754 -10.183 1.00 0.00 C ATOM 137 C ASN A 8 3.056 -20.964 -11.465 1.00 0.00 C ATOM 138 O ASN A 8 3.547 -21.508 -12.451 1.00 0.00 O ATOM 139 CB ASN A 8 3.963 -22.057 -9.374 1.00 0.00 C ATOM 140 CG ASN A 8 4.691 -23.170 -10.112 1.00 0.00 C ATOM 141 OD1 ASN A 8 4.073 -24.007 -10.773 1.00 0.00 O ATOM 142 ND2 ASN A 8 6.008 -23.183 -10.007 1.00 0.00 N ATOM 0 H ASN A 8 3.161 -19.941 -8.379 1.00 0.00 H new ATOM 0 HA ASN A 8 4.890 -20.463 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.470 -21.863 -8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.953 -22.388 -9.132 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.550 -23.904 -10.483 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.482 -22.472 -9.450 1.00 0.00 H new ATOM 188 N GLY A 12 2.518 -12.697 -13.170 1.00 0.00 N ATOM 189 CA GLY A 12 2.841 -11.715 -12.161 1.00 0.00 C ATOM 190 C GLY A 12 1.726 -10.725 -11.940 1.00 0.00 C ATOM 191 O GLY A 12 1.142 -10.210 -12.897 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.063 -12.223 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.744 -11.180 -12.455 1.00 0.00 H new ATOM 195 N PHE A 13 1.419 -10.469 -10.690 1.00 0.00 N ATOM 196 CA PHE A 13 0.374 -9.537 -10.329 1.00 0.00 C ATOM 197 C PHE A 13 0.795 -8.689 -9.128 1.00 0.00 C ATOM 198 O PHE A 13 1.493 -9.170 -8.232 1.00 0.00 O ATOM 199 CB PHE A 13 -0.942 -10.284 -10.042 1.00 0.00 C ATOM 200 CG PHE A 13 -0.796 -11.478 -9.136 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.893 -11.340 -7.764 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.566 -12.738 -9.664 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.761 -12.437 -6.934 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.434 -13.838 -8.841 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.529 -13.687 -7.474 1.00 0.00 C ATOM 0 H PHE A 13 1.887 -10.901 -9.893 1.00 0.00 H new ATOM 0 HA PHE A 13 0.207 -8.866 -11.172 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.650 -9.587 -9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.373 -10.612 -10.988 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.074 -10.365 -7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.489 -12.861 -10.734 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.839 -12.317 -5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.257 -14.815 -9.267 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.422 -14.545 -6.826 1.00 0.00 H new ATOM 215 N PRO A 14 0.406 -7.410 -9.115 1.00 0.00 N ATOM 216 CA PRO A 14 0.720 -6.505 -8.018 1.00 0.00 C ATOM 217 C PRO A 14 -0.272 -6.646 -6.857 1.00 0.00 C ATOM 218 O PRO A 14 -1.487 -6.498 -7.038 1.00 0.00 O ATOM 219 CB PRO A 14 0.605 -5.128 -8.668 1.00 0.00 C ATOM 220 CG PRO A 14 -0.411 -5.295 -9.753 1.00 0.00 C ATOM 221 CD PRO A 14 -0.359 -6.742 -10.185 1.00 0.00 C ATOM 0 HA PRO A 14 1.698 -6.701 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.290 -4.375 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.563 -4.801 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.406 -5.035 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.193 -4.634 -10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.359 -7.165 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.130 -6.852 -11.153 1.00 0.00 H new ATOM 229 N VAL A 15 0.241 -6.940 -5.679 1.00 0.00 N ATOM 230 CA VAL A 15 -0.597 -7.108 -4.504 1.00 0.00 C ATOM 231 C VAL A 15 -0.478 -5.899 -3.574 1.00 0.00 C ATOM 232 O VAL A 15 0.626 -5.496 -3.202 1.00 0.00 O ATOM 233 CB VAL A 15 -0.236 -8.410 -3.733 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.110 -8.569 -2.499 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.385 -9.619 -4.642 1.00 0.00 C ATOM 0 H VAL A 15 1.238 -7.068 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.629 -7.188 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 15 0.802 -8.338 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.839 -9.486 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.962 -7.717 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.157 -8.618 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.129 -10.523 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.415 -9.687 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.282 -9.515 -5.498 1.00 0.00 H new ATOM 245 N GLU A 16 -1.617 -5.314 -3.222 1.00 0.00 N ATOM 246 CA GLU A 16 -1.655 -4.152 -2.342 1.00 0.00 C ATOM 247 C GLU A 16 -1.821 -4.604 -0.896 1.00 0.00 C ATOM 248 O GLU A 16 -2.832 -5.222 -0.540 1.00 0.00 O ATOM 249 CB GLU A 16 -2.822 -3.236 -2.731 1.00 0.00 C ATOM 250 CG GLU A 16 -2.499 -1.742 -2.716 1.00 0.00 C ATOM 251 CD GLU A 16 -2.024 -1.227 -1.377 1.00 0.00 C ATOM 252 OE1 GLU A 16 -2.777 -1.329 -0.390 1.00 0.00 O ATOM 253 OE2 GLU A 16 -0.900 -0.687 -1.314 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.535 -5.629 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.720 -3.602 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.162 -3.509 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.653 -3.420 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.732 -1.539 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.388 -1.186 -3.012 1.00 0.00 H new ATOM 260 N VAL A 17 -0.836 -4.312 -0.079 1.00 0.00 N ATOM 261 CA VAL A 17 -0.863 -4.686 1.328 1.00 0.00 C ATOM 262 C VAL A 17 -0.401 -3.536 2.198 1.00 0.00 C ATOM 263 O VAL A 17 0.163 -2.567 1.705 1.00 0.00 O ATOM 264 CB VAL A 17 0.002 -5.935 1.627 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.655 -7.188 1.074 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.407 -5.771 1.055 1.00 0.00 C ATOM 0 H VAL A 17 0.006 -3.811 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.899 -4.932 1.561 1.00 0.00 H new ATOM 0 HB VAL A 17 0.084 -6.039 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.031 -8.054 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.634 -7.319 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.772 -7.091 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.996 -6.661 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.347 -5.636 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.883 -4.899 1.503 1.00 0.00 H new ATOM 276 N ASP A 18 -0.626 -3.655 3.487 1.00 0.00 N ATOM 277 CA ASP A 18 -0.270 -2.607 4.426 1.00 0.00 C ATOM 278 C ASP A 18 1.191 -2.702 4.812 1.00 0.00 C ATOM 279 O ASP A 18 1.846 -3.717 4.572 1.00 0.00 O ATOM 280 CB ASP A 18 -1.138 -2.695 5.684 1.00 0.00 C ATOM 281 CG ASP A 18 -2.606 -2.483 5.400 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.058 -1.316 5.419 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.320 -3.480 5.162 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.058 -4.474 3.915 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.444 -1.648 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.000 -3.672 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.801 -1.950 6.405 1.00 0.00 H new ATOM 288 N SER A 19 1.696 -1.654 5.433 1.00 0.00 N ATOM 289 CA SER A 19 3.081 -1.609 5.866 1.00 0.00 C ATOM 290 C SER A 19 3.292 -2.482 7.104 1.00 0.00 C ATOM 291 O SER A 19 4.420 -2.672 7.566 1.00 0.00 O ATOM 292 CB SER A 19 3.487 -0.167 6.157 1.00 0.00 C ATOM 293 OG SER A 19 3.326 0.645 5.000 1.00 0.00 O ATOM 0 H SER A 19 1.162 -0.813 5.651 1.00 0.00 H new ATOM 0 HA SER A 19 3.708 -2.000 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.881 0.229 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.525 -0.136 6.487 1.00 0.00 H new ATOM 0 HG SER A 19 4.202 0.811 4.593 1.00 0.00 H new ATOM 299 N ASP A 20 2.203 -3.002 7.637 1.00 0.00 N ATOM 300 CA ASP A 20 2.263 -3.856 8.808 1.00 0.00 C ATOM 301 C ASP A 20 1.752 -5.247 8.485 1.00 0.00 C ATOM 302 O ASP A 20 1.582 -6.084 9.378 1.00 0.00 O ATOM 303 CB ASP A 20 1.464 -3.249 9.963 1.00 0.00 C ATOM 304 CG ASP A 20 2.039 -1.931 10.428 1.00 0.00 C ATOM 305 OD1 ASP A 20 3.031 -1.945 11.183 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.506 -0.871 10.039 1.00 0.00 O1- ATOM 0 H ASP A 20 1.262 -2.847 7.276 1.00 0.00 H new ATOM 0 HA ASP A 20 3.306 -3.935 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.431 -3.101 9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.447 -3.950 10.798 1.00 0.00 H new ATOM 311 N THR A 21 1.517 -5.497 7.205 1.00 0.00 N ATOM 312 CA THR A 21 1.054 -6.790 6.754 1.00 0.00 C ATOM 313 C THR A 21 2.131 -7.845 6.966 1.00 0.00 C ATOM 314 O THR A 21 3.259 -7.698 6.492 1.00 0.00 O ATOM 315 CB THR A 21 0.647 -6.745 5.259 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.517 -5.925 5.099 1.00 0.00 O ATOM 317 CG2 THR A 21 0.370 -8.143 4.708 1.00 0.00 C ATOM 0 H THR A 21 1.642 -4.812 6.460 1.00 0.00 H new ATOM 0 HA THR A 21 0.176 -7.055 7.343 1.00 0.00 H new ATOM 0 HB THR A 21 1.480 -6.321 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.187 -6.408 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.088 -8.071 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.267 -8.755 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.443 -8.602 5.271 1.00 0.00 H new ATOM 325 N SER A 22 1.790 -8.881 7.702 1.00 0.00 N ATOM 326 CA SER A 22 2.708 -9.968 7.940 1.00 0.00 C ATOM 327 C SER A 22 2.766 -10.868 6.711 1.00 0.00 C ATOM 328 O SER A 22 1.768 -11.018 6.001 1.00 0.00 O ATOM 329 CB SER A 22 2.267 -10.767 9.165 1.00 0.00 C ATOM 330 OG SER A 22 2.084 -9.914 10.286 1.00 0.00 O ATOM 0 H SER A 22 0.879 -8.991 8.147 1.00 0.00 H new ATOM 0 HA SER A 22 3.703 -9.564 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.337 -11.292 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.014 -11.526 9.398 1.00 0.00 H new ATOM 0 HG SER A 22 1.800 -10.446 11.059 1.00 0.00 H new ATOM 336 N ILE A 23 3.929 -11.455 6.456 1.00 0.00 N ATOM 337 CA ILE A 23 4.114 -12.340 5.303 1.00 0.00 C ATOM 338 C ILE A 23 3.096 -13.486 5.315 1.00 0.00 C ATOM 339 O ILE A 23 2.615 -13.912 4.266 1.00 0.00 O ATOM 340 CB ILE A 23 5.552 -12.918 5.255 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.586 -11.783 5.207 1.00 0.00 C ATOM 342 CG2 ILE A 23 5.727 -13.852 4.059 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.465 -10.891 3.988 1.00 0.00 C ATOM 0 H ILE A 23 4.763 -11.336 7.031 1.00 0.00 H new ATOM 0 HA ILE A 23 3.954 -11.736 4.410 1.00 0.00 H new ATOM 0 HB ILE A 23 5.714 -13.498 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.482 -11.172 6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.586 -12.215 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.744 -14.244 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.021 -14.679 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.541 -13.301 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.229 -10.115 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.600 -11.488 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.478 -10.428 3.972 1.00 0.00 H new ATOM 355 N PHE A 24 2.760 -13.967 6.509 1.00 0.00 N ATOM 356 CA PHE A 24 1.774 -15.032 6.653 1.00 0.00 C ATOM 357 C PHE A 24 0.430 -14.588 6.085 1.00 0.00 C ATOM 358 O PHE A 24 -0.240 -15.345 5.383 1.00 0.00 O ATOM 359 CB PHE A 24 1.615 -15.415 8.124 1.00 0.00 C ATOM 360 CG PHE A 24 0.858 -16.694 8.333 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.454 -17.913 8.069 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.446 -16.677 8.798 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.769 -19.092 8.263 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.138 -17.855 8.992 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.528 -19.064 8.724 1.00 0.00 C ATOM 0 H PHE A 24 3.156 -13.636 7.389 1.00 0.00 H new ATOM 0 HA PHE A 24 2.123 -15.903 6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.603 -15.509 8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.101 -14.609 8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.471 -17.941 7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.926 -15.733 9.011 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.248 -20.037 8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.156 -17.831 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.068 -19.987 8.876 1.00 0.00 H new ATOM 375 N GLN A 25 0.057 -13.347 6.381 1.00 0.00 N ATOM 376 CA GLN A 25 -1.190 -12.785 5.891 1.00 0.00 C ATOM 377 C GLN A 25 -1.105 -12.565 4.397 1.00 0.00 C ATOM 378 O GLN A 25 -2.043 -12.856 3.671 1.00 0.00 O ATOM 379 CB GLN A 25 -1.508 -11.466 6.595 1.00 0.00 C ATOM 380 CG GLN A 25 -1.653 -11.590 8.100 1.00 0.00 C ATOM 381 CD GLN A 25 -2.713 -12.592 8.502 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.428 -13.776 8.679 1.00 0.00 O ATOM 383 NE2 GLN A 25 -3.934 -12.128 8.658 1.00 0.00 N ATOM 0 H GLN A 25 0.605 -12.712 6.961 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.992 -13.491 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.718 -10.748 6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.432 -11.060 6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.696 -11.886 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.902 -10.615 8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.128 -11.139 8.501 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.687 -12.757 8.936 1.00 0.00 H new ATOM 392 N LEU A 26 0.039 -12.055 3.947 1.00 0.00 N ATOM 393 CA LEU A 26 0.287 -11.833 2.526 1.00 0.00 C ATOM 394 C LEU A 26 0.114 -13.141 1.758 1.00 0.00 C ATOM 395 O LEU A 26 -0.482 -13.168 0.677 1.00 0.00 O ATOM 396 CB LEU A 26 1.704 -11.277 2.323 1.00 0.00 C ATOM 397 CG LEU A 26 2.176 -11.133 0.871 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.306 -10.148 0.108 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.628 -10.698 0.835 1.00 0.00 C ATOM 0 H LEU A 26 0.815 -11.786 4.552 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.431 -11.107 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.759 -10.298 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.405 -11.926 2.848 1.00 0.00 H new ATOM 0 HG LEU A 26 2.087 -12.104 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.664 -10.066 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.274 -10.500 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.355 -9.171 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.953 -10.599 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.733 -9.739 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.244 -11.443 1.338 1.00 0.00 H new ATOM 411 N LYS A 27 0.627 -14.222 2.337 1.00 0.00 N ATOM 412 CA LYS A 27 0.504 -15.544 1.753 1.00 0.00 C ATOM 413 C LYS A 27 -0.963 -15.929 1.634 1.00 0.00 C ATOM 414 O LYS A 27 -1.414 -16.395 0.585 1.00 0.00 O ATOM 415 CB LYS A 27 1.229 -16.574 2.619 1.00 0.00 C ATOM 416 CG LYS A 27 1.281 -17.964 1.999 1.00 0.00 C ATOM 417 CD LYS A 27 1.945 -18.981 2.919 1.00 0.00 C ATOM 418 CE LYS A 27 1.130 -19.213 4.183 1.00 0.00 C ATOM 419 NZ LYS A 27 1.668 -20.337 4.985 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.137 -14.202 3.220 1.00 0.00 H new ATOM 0 HA LYS A 27 0.955 -15.527 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.246 -16.229 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.733 -16.636 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.269 -18.294 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.826 -17.919 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.070 -19.925 2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.942 -18.632 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.127 -18.305 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.094 -19.421 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.456 -20.179 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.229 -21.227 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.698 -20.395 4.854 1.00 0.00 H new ATOM 433 N GLU A 28 -1.704 -15.723 2.717 1.00 0.00 N ATOM 434 CA GLU A 28 -3.112 -16.049 2.750 1.00 0.00 C ATOM 435 C GLU A 28 -3.909 -15.190 1.772 1.00 0.00 C ATOM 436 O GLU A 28 -4.847 -15.671 1.159 1.00 0.00 O ATOM 437 CB GLU A 28 -3.673 -15.911 4.162 1.00 0.00 C ATOM 438 CG GLU A 28 -3.176 -16.967 5.138 1.00 0.00 C ATOM 439 CD GLU A 28 -4.100 -17.139 6.333 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.402 -18.300 6.693 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.551 -16.127 6.901 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.343 -15.329 3.586 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.212 -17.089 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.415 -14.925 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.761 -15.960 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.079 -17.920 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.181 -16.693 5.489 1.00 0.00 H new ATOM 448 N VAL A 29 -3.526 -13.921 1.626 1.00 0.00 N ATOM 449 CA VAL A 29 -4.204 -13.018 0.691 1.00 0.00 C ATOM 450 C VAL A 29 -4.136 -13.573 -0.729 1.00 0.00 C ATOM 451 O VAL A 29 -5.157 -13.689 -1.411 1.00 0.00 O ATOM 452 CB VAL A 29 -3.594 -11.586 0.711 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.217 -10.713 -0.374 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.789 -10.939 2.073 1.00 0.00 C ATOM 0 H VAL A 29 -2.754 -13.495 2.140 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.243 -12.949 1.014 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.526 -11.676 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.774 -9.718 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.031 -11.159 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.292 -10.638 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.356 -9.939 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.854 -10.871 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.297 -11.542 2.836 1.00 0.00 H new ATOM 464 N VAL A 30 -2.935 -13.937 -1.155 1.00 0.00 N ATOM 465 CA VAL A 30 -2.729 -14.494 -2.484 1.00 0.00 C ATOM 466 C VAL A 30 -3.460 -15.827 -2.625 1.00 0.00 C ATOM 467 O VAL A 30 -4.184 -16.053 -3.602 1.00 0.00 O ATOM 468 CB VAL A 30 -1.223 -14.695 -2.786 1.00 0.00 C ATOM 469 CG1 VAL A 30 -1.024 -15.298 -4.170 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.473 -13.375 -2.665 1.00 0.00 C ATOM 0 H VAL A 30 -2.085 -13.856 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.133 -13.781 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.819 -15.391 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.041 -15.430 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.524 -16.265 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.447 -14.631 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.583 -13.536 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.883 -12.657 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.582 -12.986 -1.652 1.00 0.00 H new ATOM 480 N ALA A 31 -3.291 -16.689 -1.633 1.00 0.00 N ATOM 481 CA ALA A 31 -3.915 -18.005 -1.639 1.00 0.00 C ATOM 482 C ALA A 31 -5.437 -17.901 -1.684 1.00 0.00 C ATOM 483 O ALA A 31 -6.094 -18.615 -2.434 1.00 0.00 O ATOM 484 CB ALA A 31 -3.476 -18.801 -0.424 1.00 0.00 C ATOM 0 H ALA A 31 -2.723 -16.499 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.590 -18.525 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.950 -19.782 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.393 -18.921 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.770 -18.272 0.483 1.00 0.00 H new ATOM 490 N LYS A 32 -5.986 -16.998 -0.885 1.00 0.00 N ATOM 491 CA LYS A 32 -7.419 -16.786 -0.808 1.00 0.00 C ATOM 492 C LYS A 32 -7.948 -16.237 -2.126 1.00 0.00 C ATOM 493 O LYS A 32 -9.037 -16.594 -2.571 1.00 0.00 O ATOM 494 CB LYS A 32 -7.703 -15.791 0.304 1.00 0.00 C ATOM 495 CG LYS A 32 -9.162 -15.625 0.661 1.00 0.00 C ATOM 496 CD LYS A 32 -9.349 -14.439 1.590 1.00 0.00 C ATOM 497 CE LYS A 32 -8.505 -14.564 2.858 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.809 -15.797 3.623 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.445 -16.390 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.914 -17.735 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.160 -16.103 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.304 -14.820 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.750 -15.481 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.531 -16.532 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.081 -13.522 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.401 -14.354 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.449 -14.558 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.677 -13.695 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.286 -15.785 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.830 -15.843 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.524 -16.629 3.068 1.00 0.00 H new ATOM 512 N ARG A 33 -7.158 -15.375 -2.742 1.00 0.00 N ATOM 513 CA ARG A 33 -7.527 -14.725 -3.990 1.00 0.00 C ATOM 514 C ARG A 33 -7.641 -15.741 -5.129 1.00 0.00 C ATOM 515 O ARG A 33 -8.454 -15.581 -6.043 1.00 0.00 O ATOM 516 CB ARG A 33 -6.487 -13.661 -4.334 1.00 0.00 C ATOM 517 CG ARG A 33 -6.932 -12.663 -5.383 1.00 0.00 C ATOM 518 CD ARG A 33 -5.841 -11.646 -5.658 1.00 0.00 C ATOM 519 NE ARG A 33 -6.320 -10.527 -6.468 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.584 -9.887 -7.377 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.351 -10.293 -7.647 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -6.090 -8.849 -8.025 1.00 0.00 N ATOM 0 H ARG A 33 -6.239 -15.104 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.503 -14.256 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.225 -13.120 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.581 -14.156 -4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.187 -13.187 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.834 -12.153 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.453 -11.268 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.012 -12.134 -6.170 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.281 -10.215 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.961 -11.099 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.793 -9.799 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.042 -8.540 -7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.528 -8.359 -8.721 1.00 0.00 H new ATOM 536 N GLN A 34 -6.822 -16.778 -5.074 1.00 0.00 N ATOM 537 CA GLN A 34 -6.832 -17.811 -6.098 1.00 0.00 C ATOM 538 C GLN A 34 -7.643 -19.028 -5.658 1.00 0.00 C ATOM 539 O GLN A 34 -7.940 -19.910 -6.462 1.00 0.00 O ATOM 540 CB GLN A 34 -5.408 -18.222 -6.453 1.00 0.00 C ATOM 541 CG GLN A 34 -4.589 -17.098 -7.062 1.00 0.00 C ATOM 542 CD GLN A 34 -3.208 -17.545 -7.470 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.086 -18.016 -8.692 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 -2.265 -17.471 -6.695 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.140 -16.928 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.311 -17.395 -6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.907 -18.581 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.443 -19.057 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.112 -16.703 -7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.506 -16.283 -6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.405 -17.099 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.339 -17.781 -6.988 1.00 0.00 H new ATOM 553 N GLY A 35 -7.990 -19.070 -4.382 1.00 0.00 N ATOM 554 CA GLY A 35 -8.775 -20.169 -3.860 1.00 0.00 C ATOM 555 C GLY A 35 -7.943 -21.415 -3.612 1.00 0.00 C ATOM 556 O GLY A 35 -8.454 -22.533 -3.658 1.00 0.00 O ATOM 0 H GLY A 35 -7.741 -18.359 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.249 -19.862 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.575 -20.405 -4.562 1.00 0.00 H new ATOM 560 N VAL A 36 -6.664 -21.226 -3.334 1.00 0.00 N ATOM 561 CA VAL A 36 -5.761 -22.346 -3.105 1.00 0.00 C ATOM 562 C VAL A 36 -5.399 -22.465 -1.623 1.00 0.00 C ATOM 563 O VAL A 36 -5.500 -21.490 -0.875 1.00 0.00 O ATOM 564 CB VAL A 36 -4.462 -22.220 -3.946 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.781 -22.244 -5.433 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.694 -20.955 -3.582 1.00 0.00 C ATOM 0 H VAL A 36 -6.226 -20.308 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.289 -23.246 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.828 -23.076 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.857 -22.154 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.274 -23.183 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.441 -21.411 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.789 -20.892 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.319 -20.082 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.424 -20.984 -2.526 1.00 0.00 H new ATOM 576 N PRO A 37 -4.998 -23.672 -1.174 1.00 0.00 N ATOM 577 CA PRO A 37 -4.595 -23.908 0.218 1.00 0.00 C ATOM 578 C PRO A 37 -3.283 -23.194 0.556 1.00 0.00 C ATOM 579 O PRO A 37 -2.244 -23.448 -0.061 1.00 0.00 O ATOM 580 CB PRO A 37 -4.402 -25.436 0.287 1.00 0.00 C ATOM 581 CG PRO A 37 -5.050 -25.972 -0.944 1.00 0.00 C ATOM 582 CD PRO A 37 -4.920 -24.900 -1.976 1.00 0.00 C ATOM 0 HA PRO A 37 -5.331 -23.529 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.344 -25.697 0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.861 -25.850 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.564 -26.891 -1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.097 -26.213 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.977 -24.971 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.718 -24.952 -2.717 1.00 0.00 H new ATOM 590 N ALA A 38 -3.334 -22.318 1.549 1.00 0.00 N ATOM 591 CA ALA A 38 -2.172 -21.532 1.945 1.00 0.00 C ATOM 592 C ALA A 38 -1.178 -22.362 2.752 1.00 0.00 C ATOM 593 O ALA A 38 -0.010 -21.997 2.876 1.00 0.00 O ATOM 594 CB ALA A 38 -2.607 -20.307 2.732 1.00 0.00 C ATOM 0 H ALA A 38 -4.173 -22.132 2.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.666 -21.207 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.729 -19.730 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.259 -19.690 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.145 -20.621 3.626 1.00 0.00 H new ATOM 600 N ASP A 39 -1.641 -23.482 3.291 1.00 0.00 N ATOM 601 CA ASP A 39 -0.775 -24.368 4.072 1.00 0.00 C ATOM 602 C ASP A 39 0.061 -25.240 3.145 1.00 0.00 C ATOM 603 O ASP A 39 0.935 -25.988 3.586 1.00 0.00 O ATOM 604 CB ASP A 39 -1.594 -25.252 5.024 1.00 0.00 C ATOM 605 CG ASP A 39 -2.390 -24.453 6.036 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.806 -23.992 7.038 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.610 -24.286 5.837 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.606 -23.801 3.205 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.113 -23.743 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.276 -25.871 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.922 -25.929 5.551 1.00 0.00 H new ATOM 612 N GLN A 40 -0.226 -25.147 1.858 1.00 0.00 N ATOM 613 CA GLN A 40 0.511 -25.878 0.839 1.00 0.00 C ATOM 614 C GLN A 40 1.270 -24.894 -0.035 1.00 0.00 C ATOM 615 O GLN A 40 1.799 -25.250 -1.088 1.00 0.00 O ATOM 616 CB GLN A 40 -0.450 -26.692 -0.032 1.00 0.00 C ATOM 617 CG GLN A 40 -1.248 -27.743 0.726 1.00 0.00 C ATOM 618 CD GLN A 40 -2.254 -28.449 -0.161 1.00 0.00 C ATOM 619 OE1 GLN A 40 -2.046 -28.598 -1.366 1.00 0.00 O ATOM 620 NE2 GLN A 40 -3.350 -28.884 0.422 1.00 0.00 N ATOM 0 H GLN A 40 -0.976 -24.563 1.489 1.00 0.00 H new ATOM 0 HA GLN A 40 1.209 -26.558 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.144 -26.009 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.121 -27.185 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.565 -28.477 1.153 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.769 -27.270 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.486 -28.742 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.064 -29.364 -0.127 1.00 0.00 H new ATOM 629 N LEU A 41 1.325 -23.657 0.419 1.00 0.00 N ATOM 630 CA LEU A 41 1.936 -22.593 -0.340 1.00 0.00 C ATOM 631 C LEU A 41 3.287 -22.197 0.257 1.00 0.00 C ATOM 632 O LEU A 41 3.452 -22.166 1.479 1.00 0.00 O ATOM 633 CB LEU A 41 0.990 -21.392 -0.365 1.00 0.00 C ATOM 634 CG LEU A 41 1.266 -20.345 -1.431 1.00 0.00 C ATOM 635 CD1 LEU A 41 1.152 -20.964 -2.810 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.302 -19.181 -1.293 1.00 0.00 C ATOM 0 H LEU A 41 0.948 -23.366 1.321 1.00 0.00 H new ATOM 0 HA LEU A 41 2.115 -22.940 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.027 -21.759 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.026 -20.906 0.610 1.00 0.00 H new ATOM 0 HG LEU A 41 2.280 -19.969 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.352 -20.205 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.876 -21.773 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.146 -21.360 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.513 -18.440 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.721 -19.540 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.420 -18.725 -0.310 1.00 0.00 H new ATOM 648 N ARG A 42 4.247 -21.907 -0.609 1.00 0.00 N ATOM 649 CA ARG A 42 5.582 -21.512 -0.184 1.00 0.00 C ATOM 650 C ARG A 42 5.940 -20.137 -0.747 1.00 0.00 C ATOM 651 O ARG A 42 5.762 -19.877 -1.939 1.00 0.00 O ATOM 652 CB ARG A 42 6.613 -22.556 -0.641 1.00 0.00 C ATOM 653 CG ARG A 42 8.056 -22.229 -0.265 1.00 0.00 C ATOM 654 CD ARG A 42 8.232 -22.102 1.242 1.00 0.00 C ATOM 655 NE ARG A 42 7.817 -23.315 1.948 1.00 0.00 N ATOM 656 CZ ARG A 42 8.258 -23.676 3.158 1.00 0.00 C ATOM 657 NH1 ARG A 42 9.137 -22.920 3.811 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 7.815 -24.796 3.710 1.00 0.00 N ATOM 0 H ARG A 42 4.124 -21.939 -1.621 1.00 0.00 H new ATOM 0 HA ARG A 42 5.596 -21.454 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.349 -23.522 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.548 -22.662 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.716 -23.009 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.355 -21.298 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.277 -21.891 1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.650 -21.255 1.605 1.00 0.00 H new ATOM 0 HE ARG A 42 7.145 -23.927 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.480 -22.057 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.468 -23.203 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.141 -25.378 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.148 -25.076 4.633 1.00 0.00 H new ATOM 672 N VAL A 43 6.441 -19.265 0.118 1.00 0.00 N ATOM 673 CA VAL A 43 6.821 -17.924 -0.288 1.00 0.00 C ATOM 674 C VAL A 43 8.340 -17.796 -0.465 1.00 0.00 C ATOM 675 O VAL A 43 9.111 -17.916 0.495 1.00 0.00 O ATOM 676 CB VAL A 43 6.304 -16.845 0.705 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.795 -16.696 0.585 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.683 -17.196 2.141 1.00 0.00 C ATOM 0 H VAL A 43 6.593 -19.466 1.106 1.00 0.00 H new ATOM 0 HA VAL A 43 6.346 -17.748 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 43 6.776 -15.897 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.447 -15.937 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.539 -16.396 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.316 -17.648 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.309 -16.425 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.243 -18.157 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.768 -17.258 2.226 1.00 0.00 H new ATOM 688 N ILE A 44 8.754 -17.569 -1.697 1.00 0.00 N ATOM 689 CA ILE A 44 10.160 -17.417 -2.038 1.00 0.00 C ATOM 690 C ILE A 44 10.416 -16.002 -2.556 1.00 0.00 C ATOM 691 O ILE A 44 9.543 -15.383 -3.158 1.00 0.00 O ATOM 692 CB ILE A 44 10.585 -18.454 -3.128 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.370 -19.893 -2.627 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.038 -18.250 -3.561 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.195 -20.255 -1.405 1.00 0.00 C ATOM 0 H ILE A 44 8.124 -17.484 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 44 10.751 -17.594 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 44 9.951 -18.291 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.314 -20.031 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.611 -20.586 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.299 -18.988 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.157 -17.248 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.695 -18.368 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.985 -21.285 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.255 -20.152 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.938 -19.588 -0.582 1.00 0.00 H new ATOM 707 N PHE A 45 11.590 -15.484 -2.294 1.00 0.00 N ATOM 708 CA PHE A 45 11.960 -14.173 -2.768 1.00 0.00 C ATOM 709 C PHE A 45 13.368 -14.214 -3.319 1.00 0.00 C ATOM 710 O PHE A 45 14.330 -14.313 -2.555 1.00 0.00 O ATOM 711 CB PHE A 45 11.852 -13.152 -1.637 1.00 0.00 C ATOM 712 CG PHE A 45 12.154 -11.745 -2.054 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.323 -11.083 -2.940 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.262 -11.080 -1.555 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.588 -9.788 -3.318 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.533 -9.782 -1.933 1.00 0.00 C ATOM 717 CZ PHE A 45 12.694 -9.135 -2.816 1.00 0.00 C ATOM 0 H PHE A 45 12.312 -15.955 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 45 11.279 -13.871 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.844 -13.189 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 45 12.535 -13.438 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.456 -11.589 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.920 -11.583 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.930 -9.282 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.400 -9.273 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.903 -8.118 -3.114 1.00 0.00 H new ATOM 727 N ALA A 46 13.475 -14.155 -4.656 1.00 0.00 N ATOM 728 CA ALA A 46 14.763 -14.221 -5.368 1.00 0.00 C ATOM 729 C ALA A 46 15.393 -15.612 -5.235 1.00 0.00 C ATOM 730 O ALA A 46 15.581 -16.319 -6.226 1.00 0.00 O ATOM 731 CB ALA A 46 15.723 -13.135 -4.881 1.00 0.00 C ATOM 0 H ALA A 46 12.670 -14.060 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 46 14.567 -14.040 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.664 -13.210 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.281 -12.154 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.909 -13.265 -3.815 1.00 0.00 H new ATOM 737 N GLY A 47 15.699 -15.985 -4.009 1.00 0.00 N ATOM 738 CA GLY A 47 16.267 -17.282 -3.719 1.00 0.00 C ATOM 739 C GLY A 47 16.123 -17.634 -2.249 1.00 0.00 C ATOM 740 O GLY A 47 16.573 -18.690 -1.803 1.00 0.00 O ATOM 0 H GLY A 47 15.560 -15.397 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.774 -18.041 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.322 -17.289 -3.995 1.00 0.00 H new ATOM 744 N LYS A 48 15.479 -16.748 -1.495 1.00 0.00 N ATOM 745 CA LYS A 48 15.289 -16.943 -0.068 1.00 0.00 C ATOM 746 C LYS A 48 13.838 -17.255 0.223 1.00 0.00 C ATOM 747 O LYS A 48 12.987 -17.149 -0.654 1.00 0.00 O ATOM 748 CB LYS A 48 15.665 -15.675 0.700 1.00 0.00 C ATOM 749 CG LYS A 48 14.696 -14.526 0.466 1.00 0.00 C ATOM 750 CD LYS A 48 14.723 -13.520 1.593 1.00 0.00 C ATOM 751 CE LYS A 48 16.003 -12.702 1.601 1.00 0.00 C ATOM 752 NZ LYS A 48 15.945 -11.603 2.594 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.078 -15.882 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 48 15.926 -17.770 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.701 -15.900 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.667 -15.363 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.946 -14.027 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.686 -14.921 0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.867 -12.851 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.621 -14.041 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.849 -13.352 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.176 -12.287 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.836 -11.067 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.153 -10.969 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.805 -12.001 3.545 1.00 0.00 H new ATOM 766 N GLU A 49 13.561 -17.624 1.449 1.00 0.00 N ATOM 767 CA GLU A 49 12.205 -17.842 1.883 1.00 0.00 C ATOM 768 C GLU A 49 11.857 -16.821 2.954 1.00 0.00 C ATOM 769 O GLU A 49 12.725 -16.400 3.728 1.00 0.00 O ATOM 770 CB GLU A 49 12.007 -19.270 2.395 1.00 0.00 C ATOM 771 CG GLU A 49 12.978 -19.687 3.483 1.00 0.00 C ATOM 772 CD GLU A 49 12.722 -21.091 3.965 1.00 0.00 C ATOM 773 OE1 GLU A 49 13.231 -22.040 3.341 1.00 0.00 O ATOM 774 OE2 GLU A 49 12.003 -21.258 4.969 1.00 0.00 O1- ATOM 0 H GLU A 49 14.265 -17.781 2.170 1.00 0.00 H new ATOM 0 HA GLU A 49 11.534 -17.715 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.990 -19.369 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.102 -19.960 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.998 -19.614 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.899 -18.996 4.322 1.00 0.00 H new ATOM 781 N LEU A 50 10.614 -16.400 2.981 1.00 0.00 N ATOM 782 CA LEU A 50 10.175 -15.394 3.935 1.00 0.00 C ATOM 783 C LEU A 50 9.583 -16.034 5.174 1.00 0.00 C ATOM 784 O LEU A 50 8.950 -17.091 5.096 1.00 0.00 O ATOM 785 CB LEU A 50 9.138 -14.475 3.300 1.00 0.00 C ATOM 786 CG LEU A 50 9.545 -13.804 1.991 1.00 0.00 C ATOM 787 CD1 LEU A 50 8.415 -12.948 1.460 1.00 0.00 C ATOM 788 CD2 LEU A 50 10.809 -12.975 2.177 1.00 0.00 C ATOM 0 H LEU A 50 9.883 -16.736 2.354 1.00 0.00 H new ATOM 0 HA LEU A 50 11.050 -14.812 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.231 -15.053 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.883 -13.697 4.019 1.00 0.00 H new ATOM 0 HG LEU A 50 9.758 -14.583 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.723 -12.477 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.539 -13.572 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.168 -12.178 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.079 -12.507 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.631 -12.203 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.622 -13.621 2.508 1.00 0.00 H new ATOM 800 N ARG A 51 9.794 -15.400 6.314 1.00 0.00 N ATOM 801 CA ARG A 51 9.223 -15.877 7.561 1.00 0.00 C ATOM 802 C ARG A 51 7.761 -15.451 7.649 1.00 0.00 C ATOM 803 O ARG A 51 7.374 -14.439 7.081 1.00 0.00 O ATOM 804 CB ARG A 51 10.009 -15.368 8.781 1.00 0.00 C ATOM 805 CG ARG A 51 10.094 -13.852 8.900 1.00 0.00 C ATOM 806 CD ARG A 51 11.354 -13.297 8.248 1.00 0.00 C ATOM 807 NE ARG A 51 12.567 -13.842 8.862 1.00 0.00 N ATOM 808 CZ ARG A 51 13.686 -13.147 9.078 1.00 0.00 C ATOM 809 NH1 ARG A 51 13.765 -11.871 8.709 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 14.726 -13.736 9.657 1.00 0.00 N ATOM 0 H ARG A 51 10.357 -14.554 6.402 1.00 0.00 H new ATOM 0 HA ARG A 51 9.286 -16.965 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.546 -15.764 9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.020 -15.772 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.217 -13.402 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.076 -13.570 9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.347 -13.533 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.360 -12.210 8.333 1.00 0.00 H new ATOM 0 HE ARG A 51 12.556 -14.822 9.145 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.968 -11.420 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.622 -11.344 8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.668 -14.716 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.583 -13.209 9.824 1.00 0.00 H new ATOM 824 N ASN A 52 6.968 -16.218 8.366 1.00 0.00 N ATOM 825 CA ASN A 52 5.527 -15.972 8.449 1.00 0.00 C ATOM 826 C ASN A 52 5.175 -14.740 9.297 1.00 0.00 C ATOM 827 O ASN A 52 4.307 -13.946 8.919 1.00 0.00 O ATOM 828 CB ASN A 52 4.786 -17.218 8.982 1.00 0.00 C ATOM 829 CG ASN A 52 5.199 -17.620 10.392 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.350 -17.450 10.790 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.261 -18.150 11.155 1.00 0.00 N ATOM 0 H ASN A 52 7.289 -17.022 8.905 1.00 0.00 H new ATOM 0 HA ASN A 52 5.194 -15.763 7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.713 -17.025 8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.968 -18.054 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.480 -18.434 12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.317 -18.275 10.790 1.00 0.00 H new ATOM 838 N ASP A 53 5.860 -14.560 10.408 1.00 0.00 N ATOM 839 CA ASP A 53 5.538 -13.479 11.318 1.00 0.00 C ATOM 840 C ASP A 53 6.540 -12.357 11.187 1.00 0.00 C ATOM 841 O ASP A 53 7.493 -12.256 11.960 1.00 0.00 O ATOM 842 CB ASP A 53 5.468 -13.982 12.769 1.00 0.00 C ATOM 843 CG ASP A 53 4.912 -12.943 13.733 1.00 0.00 C ATOM 844 OD1 ASP A 53 3.689 -12.957 13.984 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.695 -12.123 14.255 1.00 0.00 O1- ATOM 0 H ASP A 53 6.641 -15.146 10.702 1.00 0.00 H new ATOM 0 HA ASP A 53 4.555 -13.093 11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.845 -14.876 12.808 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.466 -14.274 13.095 1.00 0.00 H new ATOM 850 N TRP A 54 6.359 -11.564 10.161 1.00 0.00 N ATOM 851 CA TRP A 54 7.208 -10.410 9.922 1.00 0.00 C ATOM 852 C TRP A 54 6.539 -9.450 8.942 1.00 0.00 C ATOM 853 O TRP A 54 5.737 -9.873 8.106 1.00 0.00 O ATOM 854 CB TRP A 54 8.568 -10.860 9.391 1.00 0.00 C ATOM 855 CG TRP A 54 9.616 -9.795 9.442 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.356 -9.323 8.402 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.034 -9.065 10.601 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.216 -8.350 8.844 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.034 -8.172 10.191 1.00 0.00 C ATOM 860 CE3 TRP A 54 9.656 -9.084 11.948 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.666 -7.305 11.076 1.00 0.00 C ATOM 862 CZ3 TRP A 54 10.282 -8.221 12.823 1.00 0.00 C ATOM 863 CH2 TRP A 54 11.275 -7.343 12.382 1.00 0.00 C ATOM 0 H TRP A 54 5.623 -11.694 9.466 1.00 0.00 H new ATOM 0 HA TRP A 54 7.360 -9.884 10.865 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.908 -11.719 9.969 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.453 -11.195 8.360 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.278 -9.664 7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.883 -7.841 8.264 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.889 -9.761 12.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.437 -6.627 10.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.000 -8.224 13.866 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.744 -6.678 13.092 1.00 0.00 H new ATOM 874 N THR A 55 6.866 -8.166 9.060 1.00 0.00 N ATOM 875 CA THR A 55 6.300 -7.134 8.198 1.00 0.00 C ATOM 876 C THR A 55 6.848 -7.226 6.772 1.00 0.00 C ATOM 877 O THR A 55 8.050 -7.426 6.561 1.00 0.00 O ATOM 878 CB THR A 55 6.549 -5.707 8.765 1.00 0.00 C ATOM 879 OG1 THR A 55 6.249 -4.720 7.766 1.00 0.00 O ATOM 880 CG2 THR A 55 7.990 -5.538 9.239 1.00 0.00 C ATOM 0 H THR A 55 7.527 -7.813 9.752 1.00 0.00 H new ATOM 0 HA THR A 55 5.225 -7.312 8.170 1.00 0.00 H new ATOM 0 HB THR A 55 5.891 -5.570 9.623 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.509 -4.157 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.129 -4.530 9.629 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.202 -6.263 10.025 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.670 -5.700 8.402 1.00 0.00 H new ATOM 888 N VAL A 56 5.960 -7.060 5.803 1.00 0.00 N ATOM 889 CA VAL A 56 6.308 -7.153 4.400 1.00 0.00 C ATOM 890 C VAL A 56 7.103 -5.929 3.933 1.00 0.00 C ATOM 891 O VAL A 56 7.917 -6.020 3.006 1.00 0.00 O ATOM 892 CB VAL A 56 5.031 -7.327 3.523 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.082 -6.152 3.687 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.393 -7.520 2.064 1.00 0.00 C ATOM 0 H VAL A 56 4.975 -6.856 5.972 1.00 0.00 H new ATOM 0 HA VAL A 56 6.941 -8.033 4.281 1.00 0.00 H new ATOM 0 HB VAL A 56 4.518 -8.224 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.202 -6.305 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.777 -6.074 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.585 -5.233 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.483 -7.639 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.944 -6.650 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.013 -8.410 1.958 1.00 0.00 H new ATOM 904 N GLN A 57 6.903 -4.796 4.600 1.00 0.00 N ATOM 905 CA GLN A 57 7.572 -3.569 4.199 1.00 0.00 C ATOM 906 C GLN A 57 9.074 -3.650 4.436 1.00 0.00 C ATOM 907 O GLN A 57 9.870 -3.113 3.662 1.00 0.00 O ATOM 908 CB GLN A 57 6.978 -2.349 4.910 1.00 0.00 C ATOM 909 CG GLN A 57 7.624 -1.038 4.486 1.00 0.00 C ATOM 910 CD GLN A 57 6.911 0.180 5.023 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.010 0.720 4.378 1.00 0.00 O ATOM 912 NE2 GLN A 57 7.306 0.626 6.195 1.00 0.00 N ATOM 0 H GLN A 57 6.290 -4.705 5.410 1.00 0.00 H new ATOM 0 HA GLN A 57 7.406 -3.449 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.908 -2.303 4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.093 -2.472 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.659 -1.024 4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.646 -0.987 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.056 0.149 6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.863 1.449 6.603 1.00 0.00 H new ATOM 921 N ASN A 58 9.461 -4.347 5.483 1.00 0.00 N ATOM 922 CA ASN A 58 10.870 -4.472 5.829 1.00 0.00 C ATOM 923 C ASN A 58 11.529 -5.605 5.033 1.00 0.00 C ATOM 924 O ASN A 58 12.747 -5.778 5.063 1.00 0.00 O ATOM 925 CB ASN A 58 11.021 -4.708 7.335 1.00 0.00 C ATOM 926 CG ASN A 58 12.448 -4.541 7.822 1.00 0.00 C ATOM 927 OD1 ASN A 58 13.228 -3.779 7.256 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.790 -5.237 8.882 1.00 0.00 N ATOM 0 H ASN A 58 8.824 -4.837 6.112 1.00 0.00 H new ATOM 0 HA ASN A 58 11.376 -3.542 5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.376 -4.013 7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.676 -5.714 7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.732 -5.155 9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.113 -5.859 9.324 1.00 0.00 H new ATOM 935 N CYS A 59 10.715 -6.361 4.303 1.00 0.00 N ATOM 936 CA CYS A 59 11.214 -7.475 3.504 1.00 0.00 C ATOM 937 C CYS A 59 11.710 -7.000 2.134 1.00 0.00 C ATOM 938 O CYS A 59 12.374 -7.750 1.413 1.00 0.00 O ATOM 939 CB CYS A 59 10.135 -8.546 3.338 1.00 0.00 C ATOM 940 SG CYS A 59 9.611 -9.316 4.888 1.00 0.00 S ATOM 0 H CYS A 59 9.706 -6.222 4.248 1.00 0.00 H new ATOM 0 HA CYS A 59 12.060 -7.911 4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.266 -8.099 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.508 -9.321 2.668 1.00 0.00 H new ATOM 0 HG CYS A 59 9.241 -8.394 5.727 1.00 0.00 H new ATOM 946 N ASP A 60 11.373 -5.748 1.782 1.00 0.00 N ATOM 947 CA ASP A 60 11.816 -5.128 0.513 1.00 0.00 C ATOM 948 C ASP A 60 11.327 -5.908 -0.707 1.00 0.00 C ATOM 949 O ASP A 60 12.005 -5.954 -1.741 1.00 0.00 O ATOM 950 CB ASP A 60 13.342 -5.018 0.479 1.00 0.00 C ATOM 951 CG ASP A 60 13.835 -3.592 0.552 1.00 0.00 C ATOM 952 OD1 ASP A 60 14.766 -3.245 -0.207 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.304 -2.810 1.375 1.00 0.00 O1- ATOM 0 H ASP A 60 10.792 -5.139 2.359 1.00 0.00 H new ATOM 0 HA ASP A 60 11.377 -4.131 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.760 -5.584 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.713 -5.478 -0.437 1.00 0.00 H new ATOM 958 N LEU A 61 10.126 -6.473 -0.602 1.00 0.00 N ATOM 959 CA LEU A 61 9.555 -7.299 -1.675 1.00 0.00 C ATOM 960 C LEU A 61 9.198 -6.481 -2.914 1.00 0.00 C ATOM 961 O LEU A 61 8.871 -7.036 -3.958 1.00 0.00 O ATOM 962 CB LEU A 61 8.310 -8.048 -1.189 1.00 0.00 C ATOM 963 CG LEU A 61 8.492 -8.980 0.010 1.00 0.00 C ATOM 964 CD1 LEU A 61 7.247 -9.818 0.218 1.00 0.00 C ATOM 965 CD2 LEU A 61 9.711 -9.869 -0.166 1.00 0.00 C ATOM 0 H LEU A 61 9.524 -6.376 0.216 1.00 0.00 H new ATOM 0 HA LEU A 61 10.329 -8.015 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.548 -7.311 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.921 -8.636 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 61 8.653 -8.365 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.391 -10.477 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.395 -9.164 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.059 -10.417 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.815 -10.520 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.592 -10.476 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.602 -9.249 -0.263 1.00 0.00 H new ATOM 977 N ASP A 62 9.235 -5.179 -2.792 1.00 0.00 N ATOM 978 CA ASP A 62 8.919 -4.310 -3.910 1.00 0.00 C ATOM 979 C ASP A 62 10.171 -3.647 -4.476 1.00 0.00 C ATOM 980 O ASP A 62 10.228 -3.315 -5.660 1.00 0.00 O ATOM 981 CB ASP A 62 7.894 -3.248 -3.488 1.00 0.00 C ATOM 982 CG ASP A 62 7.747 -2.125 -4.498 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.160 -2.355 -5.569 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.210 -1.002 -4.212 1.00 0.00 O1- ATOM 0 H ASP A 62 9.481 -4.691 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 62 8.486 -4.926 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.925 -3.725 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.191 -2.827 -2.527 1.00 0.00 H new ATOM 989 N GLN A 63 11.190 -3.504 -3.649 1.00 0.00 N ATOM 990 CA GLN A 63 12.385 -2.780 -4.062 1.00 0.00 C ATOM 991 C GLN A 63 13.418 -3.675 -4.750 1.00 0.00 C ATOM 992 O GLN A 63 13.868 -3.371 -5.853 1.00 0.00 O ATOM 993 CB GLN A 63 13.022 -2.062 -2.866 1.00 0.00 C ATOM 994 CG GLN A 63 14.270 -1.260 -3.224 1.00 0.00 C ATOM 995 CD GLN A 63 14.002 -0.185 -4.265 1.00 0.00 C ATOM 996 OE1 GLN A 63 12.907 0.376 -4.334 1.00 0.00 O ATOM 997 NE2 GLN A 63 14.992 0.095 -5.090 1.00 0.00 N ATOM 0 H GLN A 63 11.218 -3.873 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 63 12.061 -2.044 -4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.286 -1.392 -2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.281 -2.800 -2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.668 -0.795 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.037 -1.938 -3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.884 -0.392 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.866 0.798 -5.818 1.00 0.00 H new ATOM 1006 N GLN A 64 13.783 -4.769 -4.109 1.00 0.00 N ATOM 1007 CA GLN A 64 14.843 -5.629 -4.629 1.00 0.00 C ATOM 1008 C GLN A 64 14.398 -6.439 -5.842 1.00 0.00 C ATOM 1009 O GLN A 64 14.830 -6.178 -6.969 1.00 0.00 O ATOM 1010 CB GLN A 64 15.377 -6.549 -3.532 1.00 0.00 C ATOM 1011 CG GLN A 64 15.939 -5.797 -2.341 1.00 0.00 C ATOM 1012 CD GLN A 64 17.079 -4.875 -2.723 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.840 -5.156 -3.649 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.188 -3.762 -2.030 1.00 0.00 N ATOM 0 H GLN A 64 13.368 -5.087 -3.233 1.00 0.00 H new ATOM 0 HA GLN A 64 15.647 -4.974 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.574 -7.204 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.155 -7.188 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.144 -5.214 -1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.288 -6.512 -1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.536 -3.568 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.925 -3.093 -2.253 1.00 0.00 H new ATOM 1037 N ILE A 66 11.061 -9.379 -7.369 1.00 0.00 N ATOM 1038 CA ILE A 66 9.660 -9.707 -7.319 1.00 0.00 C ATOM 1039 C ILE A 66 9.471 -10.959 -6.451 1.00 0.00 C ATOM 1040 O ILE A 66 10.392 -11.776 -6.326 1.00 0.00 O ATOM 1041 CB ILE A 66 9.095 -9.929 -8.755 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.578 -10.005 -8.744 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.670 -11.183 -9.377 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.952 -9.879 -10.116 1.00 0.00 C ATOM 0 HA ILE A 66 9.107 -8.879 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 66 9.394 -9.071 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.274 -10.954 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.188 -9.215 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.259 -11.314 -10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.755 -11.094 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.411 -12.045 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.867 -9.942 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.225 -8.919 -10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.312 -10.685 -10.756 1.00 0.00 H new ATOM 1056 N VAL A 67 8.307 -11.102 -5.844 1.00 0.00 N ATOM 1057 CA VAL A 67 8.051 -12.237 -4.964 1.00 0.00 C ATOM 1058 C VAL A 67 7.689 -13.469 -5.779 1.00 0.00 C ATOM 1059 O VAL A 67 6.901 -13.391 -6.718 1.00 0.00 O ATOM 1060 CB VAL A 67 6.913 -11.931 -3.963 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.867 -12.976 -2.857 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.075 -10.543 -3.378 1.00 0.00 C ATOM 0 H VAL A 67 7.526 -10.453 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 67 8.965 -12.427 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 67 5.968 -11.968 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.058 -12.739 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.695 -13.960 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.815 -12.979 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.264 -10.347 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.030 -10.477 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.047 -9.805 -4.180 1.00 0.00 H new ATOM 1072 N HIS A 68 8.272 -14.597 -5.422 1.00 0.00 N ATOM 1073 CA HIS A 68 8.039 -15.839 -6.139 1.00 0.00 C ATOM 1074 C HIS A 68 7.267 -16.810 -5.261 1.00 0.00 C ATOM 1075 O HIS A 68 7.800 -17.348 -4.294 1.00 0.00 O ATOM 1076 CB HIS A 68 9.375 -16.472 -6.565 1.00 0.00 C ATOM 1077 CG HIS A 68 10.288 -15.542 -7.314 1.00 0.00 C ATOM 1078 ND1 HIS A 68 11.647 -15.549 -7.102 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.995 -14.614 -8.253 1.00 0.00 C ATOM 1080 CE1 HIS A 68 12.145 -14.632 -7.911 1.00 0.00 C ATOM 1081 NE2 HIS A 68 11.186 -14.040 -8.627 1.00 0.00 N ATOM 0 H HIS A 68 8.915 -14.680 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 68 7.454 -15.619 -7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.893 -16.833 -5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.169 -17.341 -7.189 1.00 0.00 H new ATOM 0 HD1 HIS A 68 12.164 -16.141 -6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.014 -14.371 -8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.195 -14.391 -7.984 1.00 0.00 H new ATOM 1089 N ILE A 69 6.023 -17.028 -5.585 1.00 0.00 N ATOM 1090 CA ILE A 69 5.198 -17.919 -4.814 1.00 0.00 C ATOM 1091 C ILE A 69 4.981 -19.237 -5.545 1.00 0.00 C ATOM 1092 O ILE A 69 4.542 -19.262 -6.700 1.00 0.00 O ATOM 1093 CB ILE A 69 3.838 -17.271 -4.456 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.045 -16.124 -3.458 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.880 -18.302 -3.895 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.753 -15.522 -2.942 1.00 0.00 C ATOM 0 H ILE A 69 5.555 -16.598 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 69 5.728 -18.123 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 69 3.398 -16.865 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.627 -16.491 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.635 -15.341 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.932 -17.823 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.712 -19.083 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.306 -18.742 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.980 -14.718 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.178 -15.124 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.170 -16.291 -2.435 1.00 0.00 H new ATOM 1108 N VAL A 70 5.301 -20.324 -4.876 1.00 0.00 N ATOM 1109 CA VAL A 70 5.138 -21.643 -5.443 1.00 0.00 C ATOM 1110 C VAL A 70 4.265 -22.498 -4.527 1.00 0.00 C ATOM 1111 O VAL A 70 4.347 -22.394 -3.305 1.00 0.00 O ATOM 1112 CB VAL A 70 6.513 -22.334 -5.689 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.258 -22.580 -4.384 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.341 -23.631 -6.471 1.00 0.00 C ATOM 0 H VAL A 70 5.679 -20.318 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 70 4.647 -21.538 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 70 7.118 -21.654 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.212 -23.063 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.436 -21.629 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.660 -23.224 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.316 -24.093 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.703 -24.313 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.881 -23.416 -7.435 1.00 0.00 H new ATOM 1124 N GLN A 71 3.416 -23.312 -5.116 1.00 0.00 N ATOM 1125 CA GLN A 71 2.531 -24.163 -4.347 1.00 0.00 C ATOM 1126 C GLN A 71 2.957 -25.612 -4.476 1.00 0.00 C ATOM 1127 O GLN A 71 3.326 -26.062 -5.560 1.00 0.00 O ATOM 1128 CB GLN A 71 1.088 -24.000 -4.829 1.00 0.00 C ATOM 1129 CG GLN A 71 0.061 -24.691 -3.945 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.340 -24.622 -4.517 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -1.684 -23.691 -5.234 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.158 -25.607 -4.196 1.00 0.00 N ATOM 0 H GLN A 71 3.319 -23.403 -6.127 1.00 0.00 H new ATOM 0 HA GLN A 71 2.589 -23.868 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.851 -22.937 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.007 -24.396 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.345 -25.735 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.069 -24.231 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.833 -26.365 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.115 -25.610 -4.548 1.00 0.00 H new