USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 732 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 63 GLN : amide:sc= 0 X(o=-0.37,f=-0.0013) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.0013) USER MOD Set 2.1: A 1 MET CE :methyl 178:sc= -1.34 (180deg=-1.37) USER MOD Set 2.2: A 15 MET CE :methyl -176:sc= -0.0028 (180deg=-0.00939) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.07 (180deg=1.06) USER MOD Single : A 7 ASN : amide:sc= 1.21 K(o=1.2,f=-9.4!) USER MOD Single : A 9 HIS : no HE2:sc= 0.508 K(o=0.51,f=-6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.26) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -25:sc= 0.199 USER MOD Single : A 17 TYR OH : rot 110:sc= 0.218 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.87 K(o=1.9,f=0) USER MOD Single : A 37 SER OG : rot -69:sc= 1.24 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.12) USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= 1.24! (180deg=0.405) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 1.13 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.024 0.712 -3.053 1.00 0.00 N ATOM 2 CA MET A 1 5.431 -0.312 -3.972 1.00 0.00 C ATOM 3 C MET A 1 4.254 0.269 -4.784 1.00 0.00 C ATOM 4 O MET A 1 3.967 1.463 -4.685 1.00 0.00 O ATOM 5 CB MET A 1 5.080 -1.631 -3.232 1.00 0.00 C ATOM 6 CG MET A 1 3.865 -1.567 -2.288 1.00 0.00 C ATOM 7 SD MET A 1 3.707 -2.966 -1.146 1.00 0.00 S ATOM 8 CE MET A 1 3.529 -4.306 -2.342 1.00 0.00 C ATOM 0 H1 MET A 1 6.801 0.283 -2.511 1.00 0.00 H new ATOM 0 H2 MET A 1 6.390 1.509 -3.612 1.00 0.00 H new ATOM 0 H3 MET A 1 5.293 1.055 -2.398 1.00 0.00 H new ATOM 0 HA MET A 1 6.196 -0.583 -4.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.897 -2.406 -3.977 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.950 -1.944 -2.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.924 -0.647 -1.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.959 -1.505 -2.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.455 -5.257 -1.815 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.627 -4.148 -2.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.397 -4.323 -3.001 1.00 0.00 H new ATOM 20 N GLU A 2 3.580 -0.549 -5.602 1.00 0.00 N ATOM 21 CA GLU A 2 2.580 -0.126 -6.585 1.00 0.00 C ATOM 22 C GLU A 2 1.347 -1.003 -6.375 1.00 0.00 C ATOM 23 O GLU A 2 1.495 -2.217 -6.350 1.00 0.00 O ATOM 24 CB GLU A 2 3.204 -0.330 -7.982 1.00 0.00 C ATOM 25 CG GLU A 2 3.745 0.973 -8.581 1.00 0.00 C ATOM 26 CD GLU A 2 2.617 1.932 -9.009 1.00 0.00 C ATOM 27 OE1 GLU A 2 2.137 1.834 -10.165 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.207 2.795 -8.197 1.00 0.00 O ATOM 0 H GLU A 2 3.723 -1.559 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 2 2.286 0.919 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.013 -1.057 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.455 -0.751 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.383 1.469 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.370 0.742 -9.444 1.00 0.00 H new ATOM 35 N ILE A 3 0.151 -0.431 -6.199 1.00 0.00 N ATOM 36 CA ILE A 3 -1.073 -1.145 -5.801 1.00 0.00 C ATOM 37 C ILE A 3 -2.146 -0.932 -6.881 1.00 0.00 C ATOM 38 O ILE A 3 -2.190 0.129 -7.509 1.00 0.00 O ATOM 39 CB ILE A 3 -1.574 -0.621 -4.434 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.504 -0.655 -3.326 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.828 -1.370 -3.932 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.075 -2.021 -2.961 1.00 0.00 C ATOM 0 H ILE A 3 0.001 0.569 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.863 -2.210 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.828 0.420 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.319 -0.009 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.935 -0.219 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.135 -0.961 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.637 -1.249 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.598 -2.430 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.815 -1.903 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.725 -2.675 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.549 -2.462 -3.838 1.00 0.00 H new ATOM 54 N GLU A 4 -3.054 -1.897 -7.060 1.00 0.00 N ATOM 55 CA GLU A 4 -4.222 -1.794 -7.915 1.00 0.00 C ATOM 56 C GLU A 4 -5.385 -2.592 -7.310 1.00 0.00 C ATOM 57 O GLU A 4 -5.187 -3.633 -6.679 1.00 0.00 O ATOM 58 CB GLU A 4 -3.842 -2.368 -9.279 1.00 0.00 C ATOM 59 CG GLU A 4 -4.911 -2.129 -10.334 1.00 0.00 C ATOM 60 CD GLU A 4 -5.002 -0.659 -10.776 1.00 0.00 C ATOM 61 OE1 GLU A 4 -5.772 0.109 -10.149 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.324 -0.274 -11.762 1.00 0.00 O ATOM 0 H GLU A 4 -2.985 -2.801 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.540 -0.756 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.905 -1.920 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.666 -3.439 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.701 -2.752 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.878 -2.445 -9.942 1.00 0.00 H new ATOM 69 N ARG A 5 -6.620 -2.161 -7.569 1.00 0.00 N ATOM 70 CA ARG A 5 -7.837 -2.784 -7.071 1.00 0.00 C ATOM 71 C ARG A 5 -8.709 -3.090 -8.290 1.00 0.00 C ATOM 72 O ARG A 5 -9.306 -2.185 -8.869 1.00 0.00 O ATOM 73 CB ARG A 5 -8.477 -1.828 -6.048 1.00 0.00 C ATOM 74 CG ARG A 5 -9.108 -2.572 -4.872 1.00 0.00 C ATOM 75 CD ARG A 5 -10.384 -3.335 -5.234 1.00 0.00 C ATOM 76 NE ARG A 5 -10.920 -4.075 -4.077 1.00 0.00 N ATOM 77 CZ ARG A 5 -12.207 -4.096 -3.700 1.00 0.00 C ATOM 78 NH1 ARG A 5 -13.106 -3.238 -4.161 1.00 0.00 N ATOM 79 NH2 ARG A 5 -12.619 -4.988 -2.821 1.00 0.00 N ATOM 0 H ARG A 5 -6.802 -1.343 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.672 -3.724 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.719 -1.139 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.238 -1.226 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.380 -3.274 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.336 -1.856 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.136 -2.635 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.175 -4.031 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.259 -4.614 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.830 -2.522 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.074 -3.294 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.959 -5.660 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.597 -5.006 -2.533 1.00 0.00 H new ATOM 93 N ILE A 6 -8.690 -4.348 -8.740 1.00 0.00 N ATOM 94 CA ILE A 6 -9.261 -4.740 -10.032 1.00 0.00 C ATOM 95 C ILE A 6 -10.784 -4.663 -9.946 1.00 0.00 C ATOM 96 O ILE A 6 -11.432 -3.972 -10.734 1.00 0.00 O ATOM 97 CB ILE A 6 -8.781 -6.162 -10.394 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.244 -6.276 -10.330 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.306 -6.641 -11.757 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.501 -5.287 -11.230 1.00 0.00 C ATOM 0 H ILE A 6 -8.279 -5.123 -8.219 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.929 -4.064 -10.820 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.206 -6.824 -9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.923 -6.124 -9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.955 -7.290 -10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.935 -7.646 -11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.396 -6.652 -11.744 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.959 -5.965 -12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.426 -5.435 -11.124 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.790 -5.452 -12.268 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.757 -4.268 -10.940 1.00 0.00 H new ATOM 112 N ASN A 7 -11.336 -5.385 -8.972 1.00 0.00 N ATOM 113 CA ASN A 7 -12.765 -5.459 -8.677 1.00 0.00 C ATOM 114 C ASN A 7 -12.935 -5.868 -7.209 1.00 0.00 C ATOM 115 O ASN A 7 -11.966 -5.852 -6.452 1.00 0.00 O ATOM 116 CB ASN A 7 -13.488 -6.403 -9.671 1.00 0.00 C ATOM 117 CG ASN A 7 -13.230 -7.900 -9.511 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.540 -8.344 -8.604 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.792 -8.721 -10.377 1.00 0.00 N ATOM 0 H ASN A 7 -10.776 -5.958 -8.341 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.237 -4.486 -8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.561 -6.232 -9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.201 -6.115 -10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.651 -9.728 -10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.367 -8.349 -11.133 1.00 0.00 H new ATOM 126 N GLU A 8 -14.146 -6.231 -6.782 1.00 0.00 N ATOM 127 CA GLU A 8 -14.430 -6.555 -5.381 1.00 0.00 C ATOM 128 C GLU A 8 -13.639 -7.773 -4.866 1.00 0.00 C ATOM 129 O GLU A 8 -13.497 -7.970 -3.655 1.00 0.00 O ATOM 130 CB GLU A 8 -15.950 -6.755 -5.208 1.00 0.00 C ATOM 131 CG GLU A 8 -16.453 -6.316 -3.829 1.00 0.00 C ATOM 132 CD GLU A 8 -16.297 -4.797 -3.626 1.00 0.00 C ATOM 133 OE1 GLU A 8 -17.107 -4.015 -4.178 1.00 0.00 O ATOM 134 OE2 GLU A 8 -15.333 -4.379 -2.941 1.00 0.00 O ATOM 0 H GLU A 8 -14.957 -6.309 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.096 -5.716 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.476 -6.191 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.193 -7.806 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.501 -6.593 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.900 -6.846 -3.054 1.00 0.00 H new ATOM 141 N HIS A 9 -13.088 -8.590 -5.769 1.00 0.00 N ATOM 142 CA HIS A 9 -12.554 -9.907 -5.452 1.00 0.00 C ATOM 143 C HIS A 9 -11.056 -9.938 -5.744 1.00 0.00 C ATOM 144 O HIS A 9 -10.280 -10.214 -4.828 1.00 0.00 O ATOM 145 CB HIS A 9 -13.358 -10.981 -6.202 1.00 0.00 C ATOM 146 CG HIS A 9 -14.846 -10.891 -5.945 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.823 -10.680 -6.893 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.475 -10.941 -4.728 1.00 0.00 C ATOM 149 CE1 HIS A 9 -17.008 -10.605 -6.265 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.848 -10.774 -4.940 1.00 0.00 N ATOM 0 H HIS A 9 -13.002 -8.345 -6.756 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.662 -10.127 -4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.173 -10.885 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.002 -11.967 -5.904 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -15.673 -10.595 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.994 -11.084 -3.772 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.955 -10.433 -6.755 1.00 0.00 H new ATOM 158 N THR A 10 -10.632 -9.576 -6.949 1.00 0.00 N ATOM 159 CA THR A 10 -9.230 -9.522 -7.331 1.00 0.00 C ATOM 160 C THR A 10 -8.649 -8.157 -6.950 1.00 0.00 C ATOM 161 O THR A 10 -9.233 -7.106 -7.221 1.00 0.00 O ATOM 162 CB THR A 10 -9.109 -9.794 -8.843 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.749 -11.027 -9.135 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.652 -9.869 -9.327 1.00 0.00 C ATOM 0 H THR A 10 -11.267 -9.307 -7.701 1.00 0.00 H new ATOM 0 HA THR A 10 -8.660 -10.285 -6.802 1.00 0.00 H new ATOM 0 HB THR A 10 -9.580 -8.959 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.681 -11.212 -10.095 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.634 -10.063 -10.400 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.151 -8.923 -9.121 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.136 -10.675 -8.804 1.00 0.00 H new ATOM 172 N VAL A 11 -7.434 -8.173 -6.416 1.00 0.00 N ATOM 173 CA VAL A 11 -6.571 -7.007 -6.266 1.00 0.00 C ATOM 174 C VAL A 11 -5.205 -7.430 -6.805 1.00 0.00 C ATOM 175 O VAL A 11 -4.920 -8.628 -6.880 1.00 0.00 O ATOM 176 CB VAL A 11 -6.561 -6.521 -4.796 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.980 -6.159 -4.329 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.994 -7.546 -3.802 1.00 0.00 C ATOM 0 H VAL A 11 -7.007 -9.029 -6.063 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.922 -6.141 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.906 -5.650 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.947 -5.820 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.378 -5.363 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.622 -7.036 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.022 -7.130 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.594 -8.456 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.964 -7.781 -4.069 1.00 0.00 H new ATOM 188 N LYS A 12 -4.342 -6.498 -7.190 1.00 0.00 N ATOM 189 CA LYS A 12 -2.966 -6.853 -7.504 1.00 0.00 C ATOM 190 C LYS A 12 -2.034 -5.745 -7.067 1.00 0.00 C ATOM 191 O LYS A 12 -2.475 -4.657 -6.711 1.00 0.00 O ATOM 192 CB LYS A 12 -2.818 -7.235 -8.988 1.00 0.00 C ATOM 193 CG LYS A 12 -2.732 -6.080 -9.979 1.00 0.00 C ATOM 194 CD LYS A 12 -2.552 -6.640 -11.399 1.00 0.00 C ATOM 195 CE LYS A 12 -2.254 -5.479 -12.347 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.698 -5.934 -13.650 1.00 0.00 N ATOM 0 H LYS A 12 -4.566 -5.508 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.681 -7.743 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.921 -7.846 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.666 -7.861 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.636 -5.473 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.896 -5.429 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.737 -7.364 -11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.453 -7.165 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.170 -4.915 -12.524 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.547 -4.799 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.577 -5.116 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.777 -6.390 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.351 -6.615 -14.088 1.00 0.00 H new ATOM 210 N PHE A 13 -0.745 -6.015 -7.111 1.00 0.00 N ATOM 211 CA PHE A 13 0.281 -5.042 -6.825 1.00 0.00 C ATOM 212 C PHE A 13 1.533 -5.426 -7.607 1.00 0.00 C ATOM 213 O PHE A 13 1.641 -6.535 -8.136 1.00 0.00 O ATOM 214 CB PHE A 13 0.514 -4.985 -5.309 1.00 0.00 C ATOM 215 CG PHE A 13 0.970 -6.268 -4.664 1.00 0.00 C ATOM 216 CD1 PHE A 13 0.028 -7.200 -4.200 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.342 -6.474 -4.451 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.463 -8.315 -3.465 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.770 -7.566 -3.684 1.00 0.00 C ATOM 220 CZ PHE A 13 1.824 -8.469 -3.163 1.00 0.00 C ATOM 0 H PHE A 13 -0.378 -6.936 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.014 -4.040 -7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.257 -4.214 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.413 -4.670 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.023 -7.061 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.065 -5.794 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.251 -9.054 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.823 -7.714 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.147 -9.282 -2.530 1.00 0.00 H new ATOM 230 N TYR A 14 2.489 -4.510 -7.661 1.00 0.00 N ATOM 231 CA TYR A 14 3.790 -4.723 -8.240 1.00 0.00 C ATOM 232 C TYR A 14 4.802 -4.272 -7.194 1.00 0.00 C ATOM 233 O TYR A 14 4.572 -3.302 -6.464 1.00 0.00 O ATOM 234 CB TYR A 14 3.896 -3.973 -9.569 1.00 0.00 C ATOM 235 CG TYR A 14 5.323 -3.912 -10.049 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.899 -5.034 -10.665 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.105 -2.792 -9.732 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.265 -5.049 -10.979 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.481 -2.799 -10.029 1.00 0.00 C ATOM 240 CZ TYR A 14 8.065 -3.925 -10.663 1.00 0.00 C ATOM 241 OH TYR A 14 9.396 -3.942 -10.966 1.00 0.00 O ATOM 0 H TYR A 14 2.367 -3.569 -7.288 1.00 0.00 H new ATOM 0 HA TYR A 14 3.980 -5.768 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.278 -4.468 -10.319 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.506 -2.962 -9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.286 -5.892 -10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.655 -1.930 -9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.704 -5.912 -11.458 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.092 -1.946 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 14 9.806 -3.097 -10.687 1.00 0.00 H new ATOM 251 N MET A 15 5.897 -5.017 -7.084 1.00 0.00 N ATOM 252 CA MET A 15 6.840 -4.904 -5.995 1.00 0.00 C ATOM 253 C MET A 15 8.240 -5.057 -6.558 1.00 0.00 C ATOM 254 O MET A 15 8.666 -6.152 -6.920 1.00 0.00 O ATOM 255 CB MET A 15 6.523 -5.990 -4.966 1.00 0.00 C ATOM 256 CG MET A 15 7.225 -5.738 -3.654 1.00 0.00 C ATOM 257 SD MET A 15 6.659 -6.831 -2.334 1.00 0.00 S ATOM 258 CE MET A 15 6.762 -5.672 -0.952 1.00 0.00 C ATOM 0 H MET A 15 6.152 -5.729 -7.768 1.00 0.00 H new ATOM 0 HA MET A 15 6.771 -3.934 -5.502 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.446 -6.031 -4.801 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.823 -6.962 -5.358 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.299 -5.868 -3.791 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.065 -4.702 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.516 -6.189 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.774 -5.272 -0.887 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.058 -4.855 -1.109 1.00 0.00 H new ATOM 268 N SER A 16 8.955 -3.944 -6.645 1.00 0.00 N ATOM 269 CA SER A 16 10.351 -3.933 -7.047 1.00 0.00 C ATOM 270 C SER A 16 11.171 -4.657 -5.977 1.00 0.00 C ATOM 271 O SER A 16 10.829 -4.604 -4.791 1.00 0.00 O ATOM 272 CB SER A 16 10.831 -2.490 -7.244 1.00 0.00 C ATOM 273 OG SER A 16 9.841 -1.695 -7.885 1.00 0.00 O ATOM 0 H SER A 16 8.579 -3.019 -6.437 1.00 0.00 H new ATOM 0 HA SER A 16 10.477 -4.450 -7.998 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.080 -2.053 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.744 -2.487 -7.840 1.00 0.00 H new ATOM 0 HG SER A 16 9.254 -2.271 -8.419 1.00 0.00 H new ATOM 279 N TYR A 17 12.276 -5.292 -6.373 1.00 0.00 N ATOM 280 CA TYR A 17 13.128 -6.051 -5.458 1.00 0.00 C ATOM 281 C TYR A 17 13.618 -5.218 -4.279 1.00 0.00 C ATOM 282 O TYR A 17 13.756 -5.739 -3.176 1.00 0.00 O ATOM 283 CB TYR A 17 14.329 -6.641 -6.204 1.00 0.00 C ATOM 284 CG TYR A 17 14.001 -7.624 -7.307 1.00 0.00 C ATOM 285 CD1 TYR A 17 12.948 -8.547 -7.160 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.779 -7.629 -8.480 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.692 -9.483 -8.170 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.519 -8.560 -9.499 1.00 0.00 C ATOM 289 CZ TYR A 17 13.476 -9.504 -9.345 1.00 0.00 C ATOM 290 OH TYR A 17 13.216 -10.440 -10.300 1.00 0.00 O ATOM 0 H TYR A 17 12.605 -5.294 -7.339 1.00 0.00 H new ATOM 0 HA TYR A 17 12.510 -6.855 -5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.905 -5.821 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.974 -7.138 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.338 -8.533 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.580 -6.914 -8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.889 -10.195 -8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.115 -8.555 -10.400 1.00 0.00 H new ATOM 0 HH TYR A 17 12.835 -10.004 -11.090 1.00 0.00 H new ATOM 300 N GLY A 18 13.845 -3.921 -4.474 1.00 0.00 N ATOM 301 CA GLY A 18 14.359 -3.105 -3.393 1.00 0.00 C ATOM 302 C GLY A 18 13.269 -2.563 -2.473 1.00 0.00 C ATOM 303 O GLY A 18 13.601 -2.041 -1.415 1.00 0.00 O ATOM 0 H GLY A 18 13.684 -3.427 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.061 -3.695 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.919 -2.269 -3.813 1.00 0.00 H new ATOM 307 N ASP A 19 11.975 -2.727 -2.788 1.00 0.00 N ATOM 308 CA ASP A 19 10.934 -2.513 -1.772 1.00 0.00 C ATOM 309 C ASP A 19 11.080 -3.603 -0.711 1.00 0.00 C ATOM 310 O ASP A 19 11.194 -3.336 0.483 1.00 0.00 O ATOM 311 CB ASP A 19 9.522 -2.576 -2.374 1.00 0.00 C ATOM 312 CG ASP A 19 8.510 -1.898 -1.438 1.00 0.00 C ATOM 313 OD1 ASP A 19 8.101 -2.512 -0.429 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.101 -0.751 -1.749 1.00 0.00 O ATOM 0 H ASP A 19 11.631 -2.999 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 19 11.062 -1.519 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.512 -2.085 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.236 -3.615 -2.538 1.00 0.00 H new ATOM 319 N ILE A 20 11.178 -4.844 -1.194 1.00 0.00 N ATOM 320 CA ILE A 20 11.371 -6.041 -0.394 1.00 0.00 C ATOM 321 C ILE A 20 12.649 -5.882 0.434 1.00 0.00 C ATOM 322 O ILE A 20 12.632 -6.135 1.642 1.00 0.00 O ATOM 323 CB ILE A 20 11.377 -7.253 -1.363 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.959 -7.473 -1.921 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.902 -8.531 -0.714 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.931 -8.085 -3.326 1.00 0.00 C ATOM 0 H ILE A 20 11.122 -5.043 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 20 10.570 -6.208 0.326 1.00 0.00 H new ATOM 0 HB ILE A 20 12.064 -7.018 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.409 -8.124 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.435 -6.517 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.882 -9.343 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.926 -8.373 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.274 -8.791 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.897 -8.209 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.451 -7.426 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.425 -9.057 -3.310 1.00 0.00 H new ATOM 338 N GLU A 21 13.740 -5.430 -0.190 1.00 0.00 N ATOM 339 CA GLU A 21 15.019 -5.304 0.479 1.00 0.00 C ATOM 340 C GLU A 21 14.984 -4.206 1.553 1.00 0.00 C ATOM 341 O GLU A 21 15.596 -4.361 2.611 1.00 0.00 O ATOM 342 CB GLU A 21 16.136 -5.145 -0.565 1.00 0.00 C ATOM 343 CG GLU A 21 16.677 -3.734 -0.696 1.00 0.00 C ATOM 344 CD GLU A 21 17.848 -3.631 -1.694 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.996 -3.978 -1.320 1.00 0.00 O ATOM 346 OE2 GLU A 21 17.641 -3.178 -2.846 1.00 0.00 O ATOM 0 H GLU A 21 13.753 -5.144 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 21 15.242 -6.217 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.957 -5.813 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.758 -5.467 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.874 -3.071 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.008 -3.385 0.282 1.00 0.00 H new ATOM 353 N ASP A 22 14.261 -3.113 1.301 1.00 0.00 N ATOM 354 CA ASP A 22 14.150 -1.986 2.229 1.00 0.00 C ATOM 355 C ASP A 22 13.390 -2.387 3.488 1.00 0.00 C ATOM 356 O ASP A 22 13.778 -2.051 4.611 1.00 0.00 O ATOM 357 CB ASP A 22 13.392 -0.821 1.601 1.00 0.00 C ATOM 358 CG ASP A 22 13.358 0.382 2.558 1.00 0.00 C ATOM 359 OD1 ASP A 22 14.417 1.022 2.763 1.00 0.00 O ATOM 360 OD2 ASP A 22 12.272 0.706 3.098 1.00 0.00 O ATOM 0 H ASP A 22 13.731 -2.984 0.439 1.00 0.00 H new ATOM 0 HA ASP A 22 15.170 -1.688 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.868 -0.533 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.375 -1.130 1.360 1.00 0.00 H new ATOM 365 N ARG A 23 12.330 -3.170 3.281 1.00 0.00 N ATOM 366 CA ARG A 23 11.590 -3.823 4.352 1.00 0.00 C ATOM 367 C ARG A 23 12.457 -4.844 5.100 1.00 0.00 C ATOM 368 O ARG A 23 12.072 -5.278 6.187 1.00 0.00 O ATOM 369 CB ARG A 23 10.349 -4.508 3.791 1.00 0.00 C ATOM 370 CG ARG A 23 9.240 -3.627 3.225 1.00 0.00 C ATOM 371 CD ARG A 23 8.120 -4.554 2.714 1.00 0.00 C ATOM 372 NE ARG A 23 7.240 -5.039 3.800 1.00 0.00 N ATOM 373 CZ ARG A 23 6.297 -4.316 4.426 1.00 0.00 C ATOM 374 NH1 ARG A 23 6.096 -3.036 4.134 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.525 -4.854 5.360 1.00 0.00 N ATOM 0 H ARG A 23 11.960 -3.368 2.351 1.00 0.00 H new ATOM 0 HA ARG A 23 11.291 -3.053 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.671 -5.188 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.918 -5.120 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.858 -2.953 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.621 -3.005 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.520 -4.020 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.565 -5.408 2.204 1.00 0.00 H new ATOM 0 HE ARG A 23 7.360 -6.007 4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.664 -2.580 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.373 -2.509 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.641 -5.835 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.815 -4.287 5.823 1.00 0.00 H new ATOM 389 N GLY A 24 13.602 -5.237 4.541 1.00 0.00 N ATOM 390 CA GLY A 24 14.513 -6.185 5.153 1.00 0.00 C ATOM 391 C GLY A 24 14.160 -7.641 4.849 1.00 0.00 C ATOM 392 O GLY A 24 14.774 -8.545 5.424 1.00 0.00 O ATOM 0 H GLY A 24 13.921 -4.895 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.526 -5.983 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.512 -6.035 6.233 1.00 0.00 H new ATOM 396 N PHE A 25 13.184 -7.876 3.966 1.00 0.00 N ATOM 397 CA PHE A 25 12.953 -9.193 3.377 1.00 0.00 C ATOM 398 C PHE A 25 13.967 -9.383 2.230 1.00 0.00 C ATOM 399 O PHE A 25 14.835 -8.534 2.007 1.00 0.00 O ATOM 400 CB PHE A 25 11.478 -9.302 2.945 1.00 0.00 C ATOM 401 CG PHE A 25 10.488 -9.160 4.088 1.00 0.00 C ATOM 402 CD1 PHE A 25 10.055 -7.879 4.471 1.00 0.00 C ATOM 403 CD2 PHE A 25 10.044 -10.281 4.815 1.00 0.00 C ATOM 404 CE1 PHE A 25 9.280 -7.701 5.627 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.265 -10.102 5.970 1.00 0.00 C ATOM 406 CZ PHE A 25 8.898 -8.815 6.388 1.00 0.00 C ATOM 0 H PHE A 25 12.535 -7.159 3.642 1.00 0.00 H new ATOM 0 HA PHE A 25 13.115 -10.003 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.270 -8.534 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.322 -10.266 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.322 -7.023 3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.302 -11.277 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.979 -6.709 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.946 -10.962 6.540 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.323 -8.682 7.293 1.00 0.00 H new ATOM 416 N ASP A 26 13.872 -10.482 1.476 1.00 0.00 N ATOM 417 CA ASP A 26 14.692 -10.706 0.282 1.00 0.00 C ATOM 418 C ASP A 26 13.799 -11.311 -0.785 1.00 0.00 C ATOM 419 O ASP A 26 12.858 -12.030 -0.444 1.00 0.00 O ATOM 420 CB ASP A 26 15.850 -11.665 0.570 1.00 0.00 C ATOM 421 CG ASP A 26 17.008 -11.424 -0.406 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.953 -11.971 -1.535 1.00 0.00 O ATOM 423 OD2 ASP A 26 17.959 -10.684 -0.055 1.00 0.00 O ATOM 0 H ASP A 26 13.223 -11.243 1.677 1.00 0.00 H new ATOM 0 HA ASP A 26 15.118 -9.757 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.196 -11.528 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.505 -12.696 0.486 1.00 0.00 H new ATOM 428 N ARG A 27 14.057 -11.036 -2.065 1.00 0.00 N ATOM 429 CA ARG A 27 13.177 -11.481 -3.147 1.00 0.00 C ATOM 430 C ARG A 27 13.022 -13.000 -3.186 1.00 0.00 C ATOM 431 O ARG A 27 11.964 -13.477 -3.589 1.00 0.00 O ATOM 432 CB ARG A 27 13.658 -10.915 -4.501 1.00 0.00 C ATOM 433 CG ARG A 27 14.991 -11.520 -4.985 1.00 0.00 C ATOM 434 CD ARG A 27 15.514 -10.843 -6.258 1.00 0.00 C ATOM 435 NE ARG A 27 16.812 -11.422 -6.657 1.00 0.00 N ATOM 436 CZ ARG A 27 17.618 -10.980 -7.632 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.271 -9.936 -8.383 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.778 -11.593 -7.853 1.00 0.00 N ATOM 0 H ARG A 27 14.870 -10.506 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 27 12.182 -11.083 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.891 -11.097 -5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.769 -9.834 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.737 -11.427 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.856 -12.585 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.791 -10.965 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.624 -9.772 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 27 17.127 -12.242 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.382 -9.463 -8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.894 -9.610 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.049 -12.394 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.397 -11.262 -8.593 1.00 0.00 H new ATOM 452 N GLU A 28 14.043 -13.752 -2.773 1.00 0.00 N ATOM 453 CA GLU A 28 13.930 -15.196 -2.623 1.00 0.00 C ATOM 454 C GLU A 28 13.296 -15.507 -1.271 1.00 0.00 C ATOM 455 O GLU A 28 12.343 -16.272 -1.212 1.00 0.00 O ATOM 456 CB GLU A 28 15.306 -15.859 -2.755 1.00 0.00 C ATOM 457 CG GLU A 28 15.881 -15.707 -4.167 1.00 0.00 C ATOM 458 CD GLU A 28 17.178 -16.520 -4.343 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.281 -15.985 -4.065 1.00 0.00 O ATOM 460 OE2 GLU A 28 17.110 -17.696 -4.778 1.00 0.00 O ATOM 0 H GLU A 28 14.962 -13.378 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 28 13.296 -15.599 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.993 -15.416 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.224 -16.918 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.143 -16.036 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.081 -14.654 -4.368 1.00 0.00 H new ATOM 467 N GLU A 29 13.788 -14.902 -0.185 1.00 0.00 N ATOM 468 CA GLU A 29 13.393 -15.233 1.187 1.00 0.00 C ATOM 469 C GLU A 29 11.890 -15.140 1.410 1.00 0.00 C ATOM 470 O GLU A 29 11.336 -15.974 2.126 1.00 0.00 O ATOM 471 CB GLU A 29 14.108 -14.303 2.177 1.00 0.00 C ATOM 472 CG GLU A 29 15.601 -14.590 2.314 1.00 0.00 C ATOM 473 CD GLU A 29 15.907 -15.687 3.357 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.550 -16.868 3.136 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.506 -15.370 4.413 1.00 0.00 O ATOM 0 H GLU A 29 14.483 -14.157 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 29 13.686 -16.269 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.973 -13.270 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.637 -14.396 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.998 -14.895 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.118 -13.673 2.596 1.00 0.00 H new ATOM 482 N ILE A 30 11.252 -14.163 0.770 1.00 0.00 N ATOM 483 CA ILE A 30 9.793 -14.032 0.702 1.00 0.00 C ATOM 484 C ILE A 30 9.172 -15.405 0.407 1.00 0.00 C ATOM 485 O ILE A 30 8.337 -15.878 1.172 1.00 0.00 O ATOM 486 CB ILE A 30 9.398 -12.975 -0.360 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.782 -11.550 0.098 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.912 -13.022 -0.771 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.732 -10.772 0.919 1.00 0.00 C ATOM 0 H ILE A 30 11.744 -13.421 0.272 1.00 0.00 H new ATOM 0 HA ILE A 30 9.406 -13.685 1.660 1.00 0.00 H new ATOM 0 HB ILE A 30 9.970 -13.236 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.693 -11.619 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.023 -10.963 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.716 -12.252 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.682 -14.001 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.287 -12.847 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.127 -9.789 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.823 -10.655 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.504 -11.322 1.832 1.00 0.00 H new ATOM 501 N TRP A 31 9.593 -16.070 -0.665 1.00 0.00 N ATOM 502 CA TRP A 31 8.993 -17.312 -1.144 1.00 0.00 C ATOM 503 C TRP A 31 9.389 -18.549 -0.327 1.00 0.00 C ATOM 504 O TRP A 31 8.762 -19.599 -0.493 1.00 0.00 O ATOM 505 CB TRP A 31 9.354 -17.512 -2.616 1.00 0.00 C ATOM 506 CG TRP A 31 9.002 -16.351 -3.492 1.00 0.00 C ATOM 507 CD1 TRP A 31 9.884 -15.634 -4.218 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.706 -15.697 -3.677 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.245 -14.557 -4.800 1.00 0.00 N ATOM 510 CE2 TRP A 31 7.909 -14.515 -4.451 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.385 -15.968 -3.256 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.867 -13.617 -4.726 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.323 -15.105 -3.585 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.561 -13.921 -4.302 1.00 0.00 C ATOM 0 H TRP A 31 10.377 -15.754 -1.237 1.00 0.00 H new ATOM 0 HA TRP A 31 7.915 -17.209 -1.022 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.424 -17.702 -2.694 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.845 -18.401 -2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 31 10.933 -15.867 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.701 -13.879 -5.410 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.186 -16.854 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.066 -12.699 -5.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.317 -15.355 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.746 -13.248 -4.526 1.00 0.00 H new ATOM 525 N TYR A 32 10.393 -18.449 0.553 1.00 0.00 N ATOM 526 CA TYR A 32 11.038 -19.603 1.185 1.00 0.00 C ATOM 527 C TYR A 32 10.958 -19.565 2.718 1.00 0.00 C ATOM 528 O TYR A 32 11.533 -20.423 3.392 1.00 0.00 O ATOM 529 CB TYR A 32 12.475 -19.732 0.645 1.00 0.00 C ATOM 530 CG TYR A 32 12.556 -19.913 -0.860 1.00 0.00 C ATOM 531 CD1 TYR A 32 11.852 -20.962 -1.485 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.310 -19.024 -1.642 1.00 0.00 C ATOM 533 CE1 TYR A 32 11.863 -21.087 -2.883 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.292 -19.112 -3.044 1.00 0.00 C ATOM 535 CZ TYR A 32 12.568 -20.150 -3.674 1.00 0.00 C ATOM 536 OH TYR A 32 12.564 -20.235 -5.038 1.00 0.00 O ATOM 0 H TYR A 32 10.783 -17.554 0.848 1.00 0.00 H new ATOM 0 HA TYR A 32 10.491 -20.507 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.038 -18.842 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.959 -20.580 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.302 -21.672 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.910 -18.265 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.332 -21.900 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.830 -18.389 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 32 13.101 -19.506 -5.413 1.00 0.00 H new ATOM 546 N ASN A 33 10.211 -18.610 3.280 1.00 0.00 N ATOM 547 CA ASN A 33 9.957 -18.449 4.704 1.00 0.00 C ATOM 548 C ASN A 33 8.469 -18.136 4.819 1.00 0.00 C ATOM 549 O ASN A 33 8.091 -16.970 4.739 1.00 0.00 O ATOM 550 CB ASN A 33 10.803 -17.287 5.237 1.00 0.00 C ATOM 551 CG ASN A 33 12.294 -17.567 5.220 1.00 0.00 C ATOM 552 OD1 ASN A 33 12.868 -18.132 6.147 1.00 0.00 O ATOM 553 ND2 ASN A 33 12.939 -17.147 4.151 1.00 0.00 N ATOM 0 H ASN A 33 9.746 -17.895 2.721 1.00 0.00 H new ATOM 0 HA ASN A 33 10.216 -19.336 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.601 -16.397 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.495 -17.062 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.946 -17.288 4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.431 -16.681 3.399 1.00 0.00 H new ATOM 560 N ARG A 34 7.615 -19.163 4.894 1.00 0.00 N ATOM 561 CA ARG A 34 6.165 -19.036 4.672 1.00 0.00 C ATOM 562 C ARG A 34 5.500 -17.926 5.489 1.00 0.00 C ATOM 563 O ARG A 34 4.598 -17.235 5.012 1.00 0.00 O ATOM 564 CB ARG A 34 5.486 -20.388 4.891 1.00 0.00 C ATOM 565 CG ARG A 34 5.378 -20.869 6.343 1.00 0.00 C ATOM 566 CD ARG A 34 4.759 -22.264 6.315 1.00 0.00 C ATOM 567 NE ARG A 34 4.544 -22.797 7.672 1.00 0.00 N ATOM 568 CZ ARG A 34 3.992 -23.981 7.973 1.00 0.00 C ATOM 569 NH1 ARG A 34 3.580 -24.806 7.010 1.00 0.00 N ATOM 570 NH2 ARG A 34 3.853 -24.341 9.248 1.00 0.00 N ATOM 0 H ARG A 34 7.910 -20.115 5.112 1.00 0.00 H new ATOM 0 HA ARG A 34 6.032 -18.729 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.481 -20.337 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.031 -21.141 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.361 -20.894 6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.762 -20.187 6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.808 -22.229 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.410 -22.939 5.759 1.00 0.00 H new ATOM 0 HE ARG A 34 4.842 -22.212 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.683 -24.539 6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.162 -25.704 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.166 -23.717 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.433 -25.241 9.481 1.00 0.00 H new ATOM 584 N GLU A 35 5.945 -17.757 6.728 1.00 0.00 N ATOM 585 CA GLU A 35 5.410 -16.741 7.620 1.00 0.00 C ATOM 586 C GLU A 35 5.931 -15.346 7.263 1.00 0.00 C ATOM 587 O GLU A 35 5.203 -14.364 7.401 1.00 0.00 O ATOM 588 CB GLU A 35 5.668 -17.104 9.096 1.00 0.00 C ATOM 589 CG GLU A 35 7.135 -17.178 9.561 1.00 0.00 C ATOM 590 CD GLU A 35 7.840 -18.470 9.108 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.366 -18.504 7.973 1.00 0.00 O ATOM 592 OE2 GLU A 35 7.860 -19.455 9.886 1.00 0.00 O ATOM 0 H GLU A 35 6.687 -18.322 7.141 1.00 0.00 H new ATOM 0 HA GLU A 35 4.329 -16.712 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.154 -16.371 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.203 -18.070 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.679 -16.317 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.170 -17.112 10.648 1.00 0.00 H new ATOM 599 N ARG A 36 7.160 -15.243 6.752 1.00 0.00 N ATOM 600 CA ARG A 36 7.725 -13.981 6.303 1.00 0.00 C ATOM 601 C ARG A 36 7.209 -13.605 4.919 1.00 0.00 C ATOM 602 O ARG A 36 7.284 -12.429 4.562 1.00 0.00 O ATOM 603 CB ARG A 36 9.248 -14.053 6.330 1.00 0.00 C ATOM 604 CG ARG A 36 9.860 -14.248 7.733 1.00 0.00 C ATOM 605 CD ARG A 36 9.168 -13.443 8.850 1.00 0.00 C ATOM 606 NE ARG A 36 9.830 -13.620 10.154 1.00 0.00 N ATOM 607 CZ ARG A 36 9.335 -13.221 11.335 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.154 -12.610 11.421 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.035 -13.445 12.442 1.00 0.00 N ATOM 0 H ARG A 36 7.788 -16.039 6.640 1.00 0.00 H new ATOM 0 HA ARG A 36 7.406 -13.195 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.571 -14.875 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.649 -13.136 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.821 -15.307 7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.913 -13.967 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.166 -12.386 8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.126 -13.754 8.928 1.00 0.00 H new ATOM 0 HE ARG A 36 10.739 -14.084 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.607 -12.437 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.797 -12.315 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.938 -13.916 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.669 -13.146 13.346 1.00 0.00 H new ATOM 623 N SER A 37 6.658 -14.548 4.154 1.00 0.00 N ATOM 624 CA SER A 37 5.903 -14.182 2.967 1.00 0.00 C ATOM 625 C SER A 37 4.685 -13.375 3.413 1.00 0.00 C ATOM 626 O SER A 37 4.454 -12.298 2.879 1.00 0.00 O ATOM 627 CB SER A 37 5.457 -15.385 2.115 1.00 0.00 C ATOM 628 OG SER A 37 6.165 -16.572 2.398 1.00 0.00 O ATOM 0 H SER A 37 6.721 -15.550 4.334 1.00 0.00 H new ATOM 0 HA SER A 37 6.560 -13.597 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.393 -15.559 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.583 -15.139 1.061 1.00 0.00 H new ATOM 0 HG SER A 37 7.090 -16.483 2.088 1.00 0.00 H new ATOM 634 N GLU A 38 3.934 -13.869 4.405 1.00 0.00 N ATOM 635 CA GLU A 38 2.634 -13.359 4.808 1.00 0.00 C ATOM 636 C GLU A 38 2.654 -11.854 5.102 1.00 0.00 C ATOM 637 O GLU A 38 1.696 -11.154 4.776 1.00 0.00 O ATOM 638 CB GLU A 38 2.151 -14.177 6.017 1.00 0.00 C ATOM 639 CG GLU A 38 0.624 -14.218 6.067 1.00 0.00 C ATOM 640 CD GLU A 38 0.109 -14.950 7.321 1.00 0.00 C ATOM 641 OE1 GLU A 38 -0.006 -16.199 7.292 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.200 -14.281 8.337 1.00 0.00 O ATOM 0 H GLU A 38 4.234 -14.666 4.966 1.00 0.00 H new ATOM 0 HA GLU A 38 1.934 -13.475 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.545 -15.191 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.538 -13.739 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.233 -13.201 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.245 -14.716 5.175 1.00 0.00 H new ATOM 649 N GLU A 39 3.756 -11.338 5.651 1.00 0.00 N ATOM 650 CA GLU A 39 3.937 -9.943 6.026 1.00 0.00 C ATOM 651 C GLU A 39 3.775 -9.015 4.816 1.00 0.00 C ATOM 652 O GLU A 39 3.290 -7.888 4.944 1.00 0.00 O ATOM 653 CB GLU A 39 5.352 -9.745 6.616 1.00 0.00 C ATOM 654 CG GLU A 39 5.995 -10.914 7.372 1.00 0.00 C ATOM 655 CD GLU A 39 5.425 -11.239 8.770 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.246 -10.927 9.066 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.203 -11.785 9.596 1.00 0.00 O ATOM 0 H GLU A 39 4.577 -11.908 5.853 1.00 0.00 H new ATOM 0 HA GLU A 39 3.176 -9.693 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.018 -9.472 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.313 -8.892 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.907 -11.807 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.059 -10.704 7.480 1.00 0.00 H new ATOM 664 N LEU A 40 4.175 -9.502 3.638 1.00 0.00 N ATOM 665 CA LEU A 40 3.973 -8.833 2.358 1.00 0.00 C ATOM 666 C LEU A 40 2.468 -8.609 2.163 1.00 0.00 C ATOM 667 O LEU A 40 1.999 -7.482 2.009 1.00 0.00 O ATOM 668 CB LEU A 40 4.566 -9.701 1.225 1.00 0.00 C ATOM 669 CG LEU A 40 4.672 -9.120 -0.205 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.347 -10.213 -1.228 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.831 -7.864 -0.456 1.00 0.00 C ATOM 0 H LEU A 40 4.660 -10.395 3.550 1.00 0.00 H new ATOM 0 HA LEU A 40 4.479 -7.868 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.569 -9.998 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.969 -10.611 1.164 1.00 0.00 H new ATOM 0 HG LEU A 40 5.703 -8.785 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.422 -9.803 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.053 -11.036 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.334 -10.579 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.971 -7.532 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.778 -8.092 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.144 -7.074 0.226 1.00 0.00 H new ATOM 683 N PHE A 41 1.716 -9.708 2.194 1.00 0.00 N ATOM 684 CA PHE A 41 0.298 -9.754 1.874 1.00 0.00 C ATOM 685 C PHE A 41 -0.511 -8.928 2.867 1.00 0.00 C ATOM 686 O PHE A 41 -1.464 -8.253 2.475 1.00 0.00 O ATOM 687 CB PHE A 41 -0.178 -11.206 1.824 1.00 0.00 C ATOM 688 CG PHE A 41 0.618 -11.993 0.807 1.00 0.00 C ATOM 689 CD1 PHE A 41 1.838 -12.567 1.195 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.225 -12.032 -0.541 1.00 0.00 C ATOM 691 CE1 PHE A 41 2.661 -13.195 0.249 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.050 -12.660 -1.492 1.00 0.00 C ATOM 693 CZ PHE A 41 2.265 -13.246 -1.099 1.00 0.00 C ATOM 0 H PHE A 41 2.094 -10.620 2.452 1.00 0.00 H new ATOM 0 HA PHE A 41 0.142 -9.313 0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.073 -11.663 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.237 -11.238 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.145 -12.525 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.708 -11.581 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.597 -13.638 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.748 -12.692 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.893 -13.734 -1.830 1.00 0.00 H new ATOM 703 N TRP A 42 -0.113 -8.938 4.137 1.00 0.00 N ATOM 704 CA TRP A 42 -0.696 -8.078 5.150 1.00 0.00 C ATOM 705 C TRP A 42 -0.610 -6.598 4.758 1.00 0.00 C ATOM 706 O TRP A 42 -1.605 -5.888 4.894 1.00 0.00 O ATOM 707 CB TRP A 42 -0.028 -8.363 6.503 1.00 0.00 C ATOM 708 CG TRP A 42 -0.634 -9.518 7.239 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.070 -10.733 7.414 1.00 0.00 C ATOM 710 CD2 TRP A 42 -1.956 -9.605 7.853 1.00 0.00 C ATOM 711 NE1 TRP A 42 -0.940 -11.558 8.095 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.127 -10.919 8.382 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.036 -8.707 7.999 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.312 -11.323 9.022 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.228 -9.101 8.640 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.369 -10.405 9.149 1.00 0.00 C ATOM 0 H TRP A 42 0.626 -9.547 4.488 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.760 -8.301 5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.031 -8.562 6.341 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.093 -7.471 7.126 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.915 -11.016 7.072 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.731 -12.522 8.354 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.947 -7.702 7.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.409 -12.326 9.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.040 -8.396 8.741 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.287 -10.700 9.636 1.00 0.00 H new ATOM 727 N GLU A 43 0.527 -6.118 4.246 1.00 0.00 N ATOM 728 CA GLU A 43 0.704 -4.715 3.922 1.00 0.00 C ATOM 729 C GLU A 43 -0.159 -4.308 2.723 1.00 0.00 C ATOM 730 O GLU A 43 -0.761 -3.237 2.730 1.00 0.00 O ATOM 731 CB GLU A 43 2.187 -4.482 3.613 1.00 0.00 C ATOM 732 CG GLU A 43 2.566 -3.001 3.649 1.00 0.00 C ATOM 733 CD GLU A 43 2.704 -2.493 5.097 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.809 -2.640 5.672 1.00 0.00 O ATOM 735 OE2 GLU A 43 1.722 -1.959 5.664 1.00 0.00 O ATOM 0 H GLU A 43 1.344 -6.696 4.048 1.00 0.00 H new ATOM 0 HA GLU A 43 0.390 -4.104 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.795 -5.027 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.418 -4.889 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.506 -2.851 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.808 -2.417 3.127 1.00 0.00 H new ATOM 742 N VAL A 44 -0.244 -5.141 1.687 1.00 0.00 N ATOM 743 CA VAL A 44 -1.003 -4.806 0.496 1.00 0.00 C ATOM 744 C VAL A 44 -2.500 -4.830 0.767 1.00 0.00 C ATOM 745 O VAL A 44 -3.216 -3.931 0.335 1.00 0.00 O ATOM 746 CB VAL A 44 -0.634 -5.741 -0.650 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.799 -5.448 -1.085 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.709 -7.224 -0.324 1.00 0.00 C ATOM 0 H VAL A 44 0.207 -6.055 1.654 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.744 -3.788 0.204 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.373 -5.547 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.073 -6.112 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.874 -4.412 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.475 -5.610 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.428 -7.804 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.026 -7.452 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.727 -7.481 -0.029 1.00 0.00 H new ATOM 758 N MET A 45 -2.970 -5.843 1.491 1.00 0.00 N ATOM 759 CA MET A 45 -4.330 -5.925 1.960 1.00 0.00 C ATOM 760 C MET A 45 -4.649 -4.675 2.795 1.00 0.00 C ATOM 761 O MET A 45 -5.697 -4.059 2.606 1.00 0.00 O ATOM 762 CB MET A 45 -4.470 -7.242 2.729 1.00 0.00 C ATOM 763 CG MET A 45 -5.849 -7.416 3.349 1.00 0.00 C ATOM 764 SD MET A 45 -7.266 -7.306 2.213 1.00 0.00 S ATOM 765 CE MET A 45 -7.099 -8.820 1.223 1.00 0.00 C ATOM 0 H MET A 45 -2.396 -6.640 1.768 1.00 0.00 H new ATOM 0 HA MET A 45 -5.057 -5.937 1.148 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.272 -8.075 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.715 -7.281 3.514 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.882 -8.387 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.973 -6.660 4.124 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.907 -8.868 0.493 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.140 -8.812 0.704 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.150 -9.690 1.878 1.00 0.00 H new ATOM 775 N ASP A 46 -3.737 -4.246 3.670 1.00 0.00 N ATOM 776 CA ASP A 46 -3.919 -3.022 4.442 1.00 0.00 C ATOM 777 C ASP A 46 -4.029 -1.786 3.539 1.00 0.00 C ATOM 778 O ASP A 46 -4.875 -0.918 3.770 1.00 0.00 O ATOM 779 CB ASP A 46 -2.775 -2.823 5.433 1.00 0.00 C ATOM 780 CG ASP A 46 -3.021 -1.538 6.237 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.888 -1.556 7.143 1.00 0.00 O ATOM 782 OD2 ASP A 46 -2.338 -0.514 5.989 1.00 0.00 O ATOM 0 H ASP A 46 -2.861 -4.734 3.860 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.855 -3.135 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.707 -3.679 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.825 -2.758 4.902 1.00 0.00 H new ATOM 787 N GLU A 47 -3.221 -1.719 2.480 1.00 0.00 N ATOM 788 CA GLU A 47 -3.210 -0.658 1.493 1.00 0.00 C ATOM 789 C GLU A 47 -4.536 -0.549 0.715 1.00 0.00 C ATOM 790 O GLU A 47 -4.732 0.431 -0.011 1.00 0.00 O ATOM 791 CB GLU A 47 -2.034 -0.894 0.526 1.00 0.00 C ATOM 792 CG GLU A 47 -0.785 -0.062 0.818 1.00 0.00 C ATOM 793 CD GLU A 47 -1.043 1.453 0.693 1.00 0.00 C ATOM 794 OE1 GLU A 47 -0.987 1.992 -0.440 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.284 2.121 1.726 1.00 0.00 O ATOM 0 H GLU A 47 -2.527 -2.441 2.285 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.088 0.289 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.765 -1.950 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.368 -0.678 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.431 -0.285 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.009 -0.350 0.129 1.00 0.00 H new ATOM 802 N VAL A 48 -5.450 -1.511 0.868 1.00 0.00 N ATOM 803 CA VAL A 48 -6.759 -1.524 0.217 1.00 0.00 C ATOM 804 C VAL A 48 -7.883 -1.758 1.227 1.00 0.00 C ATOM 805 O VAL A 48 -9.034 -1.950 0.830 1.00 0.00 O ATOM 806 CB VAL A 48 -6.801 -2.568 -0.918 1.00 0.00 C ATOM 807 CG1 VAL A 48 -5.709 -2.307 -1.952 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.642 -4.012 -0.432 1.00 0.00 C ATOM 0 H VAL A 48 -5.294 -2.323 1.465 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.918 -0.541 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.792 -2.457 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.765 -3.060 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.848 -1.317 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.732 -2.358 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.682 -4.689 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.683 -4.122 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.448 -4.254 0.261 1.00 0.00 H new ATOM 818 N HIS A 49 -7.564 -1.787 2.521 1.00 0.00 N ATOM 819 CA HIS A 49 -8.473 -2.315 3.520 1.00 0.00 C ATOM 820 C HIS A 49 -9.825 -1.602 3.580 1.00 0.00 C ATOM 821 O HIS A 49 -10.818 -2.233 3.940 1.00 0.00 O ATOM 822 CB HIS A 49 -7.806 -2.387 4.896 1.00 0.00 C ATOM 823 CG HIS A 49 -8.075 -3.693 5.588 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.521 -3.887 6.877 1.00 0.00 N ATOM 825 CD2 HIS A 49 -7.886 -4.929 5.034 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.600 -5.214 7.088 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.221 -5.897 5.989 1.00 0.00 N ATOM 0 H HIS A 49 -6.678 -1.448 2.896 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.705 -3.330 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.730 -2.252 4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.168 -1.567 5.517 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.538 -5.125 4.031 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.923 -5.670 8.012 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.186 -6.910 5.876 1.00 0.00 H new ATOM 835 N GLU A 50 -9.900 -0.332 3.181 1.00 0.00 N ATOM 836 CA GLU A 50 -11.139 0.433 3.127 1.00 0.00 C ATOM 837 C GLU A 50 -12.174 -0.201 2.178 1.00 0.00 C ATOM 838 O GLU A 50 -13.376 0.031 2.328 1.00 0.00 O ATOM 839 CB GLU A 50 -10.852 1.882 2.682 1.00 0.00 C ATOM 840 CG GLU A 50 -9.959 2.694 3.638 1.00 0.00 C ATOM 841 CD GLU A 50 -8.482 2.242 3.701 1.00 0.00 C ATOM 842 OE1 GLU A 50 -7.948 1.695 2.704 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.842 2.440 4.763 1.00 0.00 O ATOM 0 H GLU A 50 -9.084 0.201 2.881 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.561 0.430 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.379 1.857 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.801 2.404 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.989 3.741 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.383 2.638 4.641 1.00 0.00 H new ATOM 850 N GLU A 51 -11.722 -1.013 1.215 1.00 0.00 N ATOM 851 CA GLU A 51 -12.559 -1.727 0.256 1.00 0.00 C ATOM 852 C GLU A 51 -12.678 -3.220 0.617 1.00 0.00 C ATOM 853 O GLU A 51 -13.402 -3.963 -0.049 1.00 0.00 O ATOM 854 CB GLU A 51 -11.980 -1.555 -1.158 1.00 0.00 C ATOM 855 CG GLU A 51 -12.240 -0.153 -1.715 1.00 0.00 C ATOM 856 CD GLU A 51 -11.683 0.007 -3.144 1.00 0.00 C ATOM 857 OE1 GLU A 51 -12.242 -0.606 -4.090 1.00 0.00 O ATOM 858 OE2 GLU A 51 -10.699 0.763 -3.332 1.00 0.00 O ATOM 0 H GLU A 51 -10.727 -1.194 1.081 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.563 -1.304 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.907 -1.744 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.421 -2.297 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.312 0.044 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.782 0.589 -1.061 1.00 0.00 H new ATOM 865 N GLU A 52 -11.988 -3.681 1.664 1.00 0.00 N ATOM 866 CA GLU A 52 -11.831 -5.100 1.986 1.00 0.00 C ATOM 867 C GLU A 52 -12.358 -5.435 3.383 1.00 0.00 C ATOM 868 O GLU A 52 -12.610 -6.604 3.668 1.00 0.00 O ATOM 869 CB GLU A 52 -10.361 -5.492 1.865 1.00 0.00 C ATOM 870 CG GLU A 52 -9.865 -5.469 0.414 1.00 0.00 C ATOM 871 CD GLU A 52 -10.449 -6.569 -0.476 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.793 -7.667 0.009 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.538 -6.375 -1.710 1.00 0.00 O ATOM 0 H GLU A 52 -11.514 -3.065 2.324 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.425 -5.673 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.756 -4.811 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.219 -6.491 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.106 -4.500 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.779 -5.558 0.414 1.00 0.00 H new ATOM 880 N GLU A 53 -12.601 -4.441 4.242 1.00 0.00 N ATOM 881 CA GLU A 53 -13.160 -4.641 5.579 1.00 0.00 C ATOM 882 C GLU A 53 -14.515 -5.381 5.555 1.00 0.00 C ATOM 883 O GLU A 53 -14.859 -6.067 6.520 1.00 0.00 O ATOM 884 CB GLU A 53 -13.242 -3.295 6.325 1.00 0.00 C ATOM 885 CG GLU A 53 -14.126 -2.239 5.641 1.00 0.00 C ATOM 886 CD GLU A 53 -14.207 -0.950 6.484 1.00 0.00 C ATOM 887 OE1 GLU A 53 -13.337 -0.059 6.331 1.00 0.00 O ATOM 888 OE2 GLU A 53 -15.150 -0.817 7.302 1.00 0.00 O ATOM 0 H GLU A 53 -12.412 -3.463 4.024 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.483 -5.296 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.624 -3.474 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.235 -2.892 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.724 -2.007 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.128 -2.642 5.490 1.00 0.00 H new ATOM 895 N PHE A 54 -15.261 -5.290 4.444 1.00 0.00 N ATOM 896 CA PHE A 54 -16.521 -6.009 4.249 1.00 0.00 C ATOM 897 C PHE A 54 -16.301 -7.501 3.926 1.00 0.00 C ATOM 898 O PHE A 54 -17.210 -8.311 4.108 1.00 0.00 O ATOM 899 CB PHE A 54 -17.299 -5.320 3.111 1.00 0.00 C ATOM 900 CG PHE A 54 -18.702 -5.853 2.895 1.00 0.00 C ATOM 901 CD1 PHE A 54 -19.761 -5.403 3.711 1.00 0.00 C ATOM 902 CD2 PHE A 54 -18.953 -6.812 1.893 1.00 0.00 C ATOM 903 CE1 PHE A 54 -21.059 -5.912 3.524 1.00 0.00 C ATOM 904 CE2 PHE A 54 -20.249 -7.329 1.719 1.00 0.00 C ATOM 905 CZ PHE A 54 -21.302 -6.880 2.534 1.00 0.00 C ATOM 0 H PHE A 54 -15.000 -4.707 3.649 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.090 -5.976 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.358 -4.252 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.736 -5.430 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.575 -4.667 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.148 -7.150 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -21.871 -5.558 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -20.435 -8.072 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.297 -7.278 2.400 1.00 0.00 H new ATOM 915 N ALA A 55 -15.111 -7.871 3.436 1.00 0.00 N ATOM 916 CA ALA A 55 -14.850 -9.134 2.747 1.00 0.00 C ATOM 917 C ALA A 55 -13.680 -9.919 3.331 1.00 0.00 C ATOM 918 O ALA A 55 -13.416 -11.035 2.880 1.00 0.00 O ATOM 919 CB ALA A 55 -14.636 -8.848 1.251 1.00 0.00 C ATOM 0 H ALA A 55 -14.282 -7.281 3.512 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.721 -9.774 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.440 -9.783 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.530 -8.381 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.786 -8.177 1.127 1.00 0.00 H new ATOM 925 N VAL A 56 -12.996 -9.385 4.343 1.00 0.00 N ATOM 926 CA VAL A 56 -11.948 -10.072 5.080 1.00 0.00 C ATOM 927 C VAL A 56 -12.562 -11.068 6.079 1.00 0.00 C ATOM 928 O VAL A 56 -12.501 -10.923 7.302 1.00 0.00 O ATOM 929 CB VAL A 56 -10.932 -9.049 5.625 1.00 0.00 C ATOM 930 CG1 VAL A 56 -11.512 -8.031 6.614 1.00 0.00 C ATOM 931 CG2 VAL A 56 -9.734 -9.793 6.211 1.00 0.00 C ATOM 0 H VAL A 56 -13.164 -8.436 4.678 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.346 -10.710 4.433 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.615 -8.439 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.724 -7.353 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.302 -7.460 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.923 -8.555 7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.012 -9.073 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.069 -10.442 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.264 -10.396 5.434 1.00 0.00 H new ATOM 941 N GLU A 57 -13.235 -12.073 5.526 1.00 0.00 N ATOM 942 CA GLU A 57 -14.044 -13.043 6.250 1.00 0.00 C ATOM 943 C GLU A 57 -14.232 -14.293 5.368 1.00 0.00 C ATOM 944 O GLU A 57 -15.304 -14.907 5.325 1.00 0.00 O ATOM 945 CB GLU A 57 -15.361 -12.372 6.673 1.00 0.00 C ATOM 946 CG GLU A 57 -16.091 -11.627 5.543 1.00 0.00 C ATOM 947 CD GLU A 57 -17.595 -11.490 5.853 1.00 0.00 C ATOM 948 OE1 GLU A 57 -17.962 -10.760 6.809 1.00 0.00 O ATOM 949 OE2 GLU A 57 -18.426 -12.122 5.156 1.00 0.00 O ATOM 0 H GLU A 57 -13.230 -12.239 4.520 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.557 -13.379 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.028 -13.133 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.153 -11.668 7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.652 -10.638 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.957 -12.163 4.603 1.00 0.00 H new ATOM 956 N GLY A 58 -13.191 -14.638 4.605 1.00 0.00 N ATOM 957 CA GLY A 58 -13.185 -15.686 3.597 1.00 0.00 C ATOM 958 C GLY A 58 -11.749 -16.087 3.254 1.00 0.00 C ATOM 959 O GLY A 58 -10.804 -15.598 3.887 1.00 0.00 O ATOM 0 H GLY A 58 -12.289 -14.168 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.734 -16.554 3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.697 -15.339 2.699 1.00 0.00 H new ATOM 963 N PRO A 59 -11.575 -16.988 2.275 1.00 0.00 N ATOM 964 CA PRO A 59 -10.266 -17.466 1.843 1.00 0.00 C ATOM 965 C PRO A 59 -9.466 -16.357 1.144 1.00 0.00 C ATOM 966 O PRO A 59 -9.995 -15.290 0.816 1.00 0.00 O ATOM 967 CB PRO A 59 -10.563 -18.647 0.919 1.00 0.00 C ATOM 968 CG PRO A 59 -11.924 -18.296 0.333 1.00 0.00 C ATOM 969 CD PRO A 59 -12.632 -17.593 1.482 1.00 0.00 C ATOM 0 HA PRO A 59 -9.639 -17.770 2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.805 -18.751 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.591 -19.589 1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.831 -17.648 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.465 -19.186 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.327 -16.839 1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.214 -18.298 2.075 1.00 0.00 H new ATOM 977 N LEU A 60 -8.197 -16.647 0.856 1.00 0.00 N ATOM 978 CA LEU A 60 -7.306 -15.796 0.073 1.00 0.00 C ATOM 979 C LEU A 60 -6.521 -16.701 -0.875 1.00 0.00 C ATOM 980 O LEU A 60 -6.251 -17.863 -0.557 1.00 0.00 O ATOM 981 CB LEU A 60 -6.340 -15.032 0.997 1.00 0.00 C ATOM 982 CG LEU A 60 -5.604 -13.852 0.327 1.00 0.00 C ATOM 983 CD1 LEU A 60 -6.561 -12.723 -0.085 1.00 0.00 C ATOM 984 CD2 LEU A 60 -4.560 -13.280 1.292 1.00 0.00 C ATOM 0 H LEU A 60 -7.749 -17.507 1.172 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.882 -15.059 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.900 -14.655 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.599 -15.732 1.384 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.130 -14.241 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.994 -11.917 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.294 -13.108 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.075 -12.341 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.042 -12.447 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.055 -12.930 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.839 -14.056 1.550 1.00 0.00 H new ATOM 996 N TRP A 61 -6.142 -16.152 -2.024 1.00 0.00 N ATOM 997 CA TRP A 61 -5.574 -16.875 -3.146 1.00 0.00 C ATOM 998 C TRP A 61 -4.510 -15.988 -3.771 1.00 0.00 C ATOM 999 O TRP A 61 -4.679 -14.766 -3.776 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.700 -17.082 -4.159 1.00 0.00 C ATOM 1001 CG TRP A 61 -7.838 -17.955 -3.743 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -8.940 -17.545 -3.077 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.025 -19.377 -3.981 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -9.790 -18.616 -2.879 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.271 -19.779 -3.418 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.261 -20.360 -4.637 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -9.729 -21.106 -3.492 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.705 -21.693 -4.716 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -8.936 -22.067 -4.143 1.00 0.00 C ATOM 0 H TRP A 61 -6.227 -15.151 -2.202 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.143 -17.829 -2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.103 -16.104 -4.422 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.266 -17.502 -5.066 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.128 -16.533 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.687 -18.556 -2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.318 -20.087 -5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.677 -21.383 -3.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.099 -22.433 -5.218 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.271 -23.092 -4.204 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.441 -16.572 -4.315 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.277 -15.825 -4.780 1.00 0.00 C ATOM 1022 C ILE A 62 -1.906 -16.319 -6.186 1.00 0.00 C ATOM 1023 O ILE A 62 -1.975 -17.519 -6.470 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.078 -16.007 -3.805 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.390 -16.065 -2.286 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.024 -14.919 -4.080 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -1.961 -14.797 -1.638 1.00 0.00 C ATOM 0 H ILE A 62 -3.360 -17.581 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.517 -14.762 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.712 -17.010 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.096 -16.878 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.471 -16.327 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.816 -15.046 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.328 -15.005 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.469 -13.935 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.132 -14.976 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.253 -13.977 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.904 -14.536 -2.118 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.436 -15.399 -7.026 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.690 -15.658 -8.258 1.00 0.00 C ATOM 1041 C GLN A 63 0.481 -14.656 -8.283 1.00 0.00 C ATOM 1042 O GLN A 63 0.384 -13.583 -7.690 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.664 -15.505 -9.447 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.038 -15.647 -10.846 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.963 -15.097 -11.932 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -1.828 -13.943 -12.337 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -2.909 -15.886 -12.426 1.00 0.00 N ATOM 0 H GLN A 63 -1.571 -14.402 -6.858 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.276 -16.665 -8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.453 -16.250 -9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.139 -14.526 -9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.086 -15.117 -10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.825 -16.697 -11.046 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.009 -16.840 -12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.536 -15.538 -13.151 1.00 0.00 H new ATOM 1056 N VAL A 64 1.583 -14.965 -8.970 1.00 0.00 N ATOM 1057 CA VAL A 64 2.752 -14.085 -9.040 1.00 0.00 C ATOM 1058 C VAL A 64 3.330 -14.099 -10.465 1.00 0.00 C ATOM 1059 O VAL A 64 3.050 -15.012 -11.246 1.00 0.00 O ATOM 1060 CB VAL A 64 3.747 -14.488 -7.926 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.393 -15.864 -8.138 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.830 -13.428 -7.704 1.00 0.00 C ATOM 0 H VAL A 64 1.690 -15.833 -9.494 1.00 0.00 H new ATOM 0 HA VAL A 64 2.488 -13.045 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 64 3.136 -14.559 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.077 -16.075 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.617 -16.629 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.944 -15.866 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.504 -13.757 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.394 -13.286 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.363 -12.486 -7.415 1.00 0.00 H new ATOM 1072 N GLN A 65 4.120 -13.087 -10.821 1.00 0.00 N ATOM 1073 CA GLN A 65 5.043 -13.054 -11.945 1.00 0.00 C ATOM 1074 C GLN A 65 6.347 -12.505 -11.385 1.00 0.00 C ATOM 1075 O GLN A 65 6.303 -11.614 -10.541 1.00 0.00 O ATOM 1076 CB GLN A 65 4.578 -12.075 -13.042 1.00 0.00 C ATOM 1077 CG GLN A 65 3.391 -12.541 -13.878 1.00 0.00 C ATOM 1078 CD GLN A 65 2.031 -12.104 -13.339 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.537 -11.020 -13.635 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.377 -12.958 -12.570 1.00 0.00 N ATOM 0 H GLN A 65 4.130 -12.213 -10.295 1.00 0.00 H new ATOM 0 HA GLN A 65 5.124 -14.049 -12.384 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.319 -11.126 -12.572 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.417 -11.881 -13.710 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.505 -12.161 -14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.411 -13.629 -13.941 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.799 -13.856 -12.331 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.451 -12.719 -12.215 1.00 0.00 H new ATOM 1089 N ALA A 66 7.488 -12.944 -11.908 1.00 0.00 N ATOM 1090 CA ALA A 66 8.774 -12.312 -11.647 1.00 0.00 C ATOM 1091 C ALA A 66 9.202 -11.626 -12.946 1.00 0.00 C ATOM 1092 O ALA A 66 9.158 -12.228 -14.024 1.00 0.00 O ATOM 1093 CB ALA A 66 9.774 -13.347 -11.119 1.00 0.00 C ATOM 0 H ALA A 66 7.545 -13.752 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 66 8.718 -11.556 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.732 -12.863 -10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.395 -13.780 -10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.908 -14.135 -11.860 1.00 0.00 H new ATOM 1099 N LEU A 67 9.547 -10.346 -12.828 1.00 0.00 N ATOM 1100 CA LEU A 67 9.798 -9.390 -13.899 1.00 0.00 C ATOM 1101 C LEU A 67 11.260 -8.932 -13.794 1.00 0.00 C ATOM 1102 O LEU A 67 12.037 -9.493 -13.016 1.00 0.00 O ATOM 1103 CB LEU A 67 8.796 -8.218 -13.779 1.00 0.00 C ATOM 1104 CG LEU A 67 7.323 -8.632 -14.005 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.593 -8.928 -12.706 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.547 -7.523 -14.718 1.00 0.00 C ATOM 0 H LEU A 67 9.667 -9.919 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 67 9.651 -9.837 -14.882 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.891 -7.771 -12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.063 -7.448 -14.503 1.00 0.00 H new ATOM 0 HG LEU A 67 7.363 -9.537 -14.612 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.564 -9.213 -12.924 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.093 -9.744 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.597 -8.039 -12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.514 -7.838 -14.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.567 -6.617 -14.112 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.006 -7.322 -15.686 1.00 0.00 H new ATOM 1118 N ASP A 68 11.670 -7.941 -14.591 1.00 0.00 N ATOM 1119 CA ASP A 68 13.094 -7.629 -14.765 1.00 0.00 C ATOM 1120 C ASP A 68 13.784 -7.199 -13.465 1.00 0.00 C ATOM 1121 O ASP A 68 14.921 -7.614 -13.234 1.00 0.00 O ATOM 1122 CB ASP A 68 13.303 -6.573 -15.853 1.00 0.00 C ATOM 1123 CG ASP A 68 14.799 -6.455 -16.203 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.347 -7.388 -16.836 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.439 -5.432 -15.860 1.00 0.00 O ATOM 0 H ASP A 68 11.040 -7.342 -15.125 1.00 0.00 H new ATOM 0 HA ASP A 68 13.565 -8.560 -15.079 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.734 -6.841 -16.743 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.925 -5.609 -15.511 1.00 0.00 H new ATOM 1130 N LYS A 69 13.105 -6.418 -12.605 1.00 0.00 N ATOM 1131 CA LYS A 69 13.643 -5.912 -11.325 1.00 0.00 C ATOM 1132 C LYS A 69 12.588 -5.915 -10.207 1.00 0.00 C ATOM 1133 O LYS A 69 12.664 -5.124 -9.264 1.00 0.00 O ATOM 1134 CB LYS A 69 14.262 -4.515 -11.493 1.00 0.00 C ATOM 1135 CG LYS A 69 15.463 -4.452 -12.441 1.00 0.00 C ATOM 1136 CD LYS A 69 16.689 -5.248 -11.944 1.00 0.00 C ATOM 1137 CE LYS A 69 17.869 -5.115 -12.918 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.649 -5.855 -14.189 1.00 0.00 N ATOM 0 H LYS A 69 12.148 -6.114 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 69 14.432 -6.600 -11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.493 -3.834 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.571 -4.150 -10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.164 -4.834 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.750 -3.410 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.985 -4.888 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.423 -6.299 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.035 -4.061 -13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.775 -5.486 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.467 -5.718 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.534 -6.868 -13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.791 -5.497 -14.655 1.00 0.00 H new ATOM 1152 N GLY A 70 11.581 -6.775 -10.300 1.00 0.00 N ATOM 1153 CA GLY A 70 10.498 -6.829 -9.336 1.00 0.00 C ATOM 1154 C GLY A 70 9.563 -7.967 -9.679 1.00 0.00 C ATOM 1155 O GLY A 70 9.873 -8.790 -10.536 1.00 0.00 O ATOM 0 H GLY A 70 11.496 -7.458 -11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.899 -6.966 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.952 -5.885 -9.335 1.00 0.00 H new ATOM 1159 N LEU A 71 8.409 -8.016 -9.022 1.00 0.00 N ATOM 1160 CA LEU A 71 7.392 -9.040 -9.218 1.00 0.00 C ATOM 1161 C LEU A 71 6.031 -8.361 -9.281 1.00 0.00 C ATOM 1162 O LEU A 71 5.798 -7.405 -8.546 1.00 0.00 O ATOM 1163 CB LEU A 71 7.398 -10.040 -8.046 1.00 0.00 C ATOM 1164 CG LEU A 71 8.734 -10.785 -7.859 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.349 -10.365 -6.522 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.581 -12.306 -7.927 1.00 0.00 C ATOM 0 H LEU A 71 8.149 -7.324 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 71 7.600 -9.581 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.161 -9.506 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.606 -10.772 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 71 9.392 -10.510 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.296 -10.886 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.523 -9.289 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.667 -10.621 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.555 -12.776 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.902 -12.639 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.177 -12.588 -8.899 1.00 0.00 H new ATOM 1178 N GLU A 72 5.121 -8.866 -10.111 1.00 0.00 N ATOM 1179 CA GLU A 72 3.699 -8.579 -9.947 1.00 0.00 C ATOM 1180 C GLU A 72 3.139 -9.698 -9.095 1.00 0.00 C ATOM 1181 O GLU A 72 3.500 -10.860 -9.281 1.00 0.00 O ATOM 1182 CB GLU A 72 2.905 -8.518 -11.265 1.00 0.00 C ATOM 1183 CG GLU A 72 2.984 -7.163 -11.975 1.00 0.00 C ATOM 1184 CD GLU A 72 2.045 -7.116 -13.195 1.00 0.00 C ATOM 1185 OE1 GLU A 72 0.829 -6.864 -13.015 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.520 -7.291 -14.344 1.00 0.00 O ATOM 0 H GLU A 72 5.342 -9.473 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 72 3.601 -7.590 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.276 -9.292 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.860 -8.749 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.718 -6.368 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.009 -6.977 -12.295 1.00 0.00 H new ATOM 1193 N ILE A 73 2.239 -9.364 -8.179 1.00 0.00 N ATOM 1194 CA ILE A 73 1.555 -10.328 -7.352 1.00 0.00 C ATOM 1195 C ILE A 73 0.072 -9.986 -7.514 1.00 0.00 C ATOM 1196 O ILE A 73 -0.331 -8.834 -7.349 1.00 0.00 O ATOM 1197 CB ILE A 73 2.008 -10.237 -5.881 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.510 -10.309 -5.490 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.303 -11.339 -5.071 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.445 -9.243 -6.064 1.00 0.00 C ATOM 0 H ILE A 73 1.965 -8.399 -7.993 1.00 0.00 H new ATOM 0 HA ILE A 73 1.772 -11.354 -7.649 1.00 0.00 H new ATOM 0 HB ILE A 73 1.738 -9.204 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.576 -10.263 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.889 -11.285 -5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.618 -11.282 -4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.223 -11.201 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.568 -12.315 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.460 -9.418 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.430 -9.294 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.113 -8.256 -5.742 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.737 -10.982 -7.854 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.183 -10.883 -7.992 1.00 0.00 C ATOM 1214 C ILE A 74 -2.744 -11.659 -6.795 1.00 0.00 C ATOM 1215 O ILE A 74 -2.178 -12.677 -6.388 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.616 -11.451 -9.370 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.257 -10.583 -10.603 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.137 -11.680 -9.430 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.769 -10.315 -10.844 1.00 0.00 C ATOM 0 H ILE A 74 -0.387 -11.920 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.562 -9.861 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.046 -12.378 -9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.664 -11.068 -11.491 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.764 -9.623 -10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.407 -12.078 -10.408 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.429 -12.390 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.654 -10.734 -9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.650 -9.698 -11.735 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.349 -9.795 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.247 -11.261 -10.986 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.849 -11.193 -6.221 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.420 -11.720 -4.993 1.00 0.00 C ATOM 1233 C VAL A 75 -5.929 -11.802 -5.231 1.00 0.00 C ATOM 1234 O VAL A 75 -6.513 -10.850 -5.754 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.040 -10.836 -3.774 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -3.653 -11.706 -2.574 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -2.857 -9.871 -3.994 1.00 0.00 C ATOM 0 H VAL A 75 -4.384 -10.417 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.028 -12.708 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.939 -10.243 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.390 -11.067 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.495 -12.342 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.798 -12.329 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.677 -9.303 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.964 -10.442 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.093 -9.185 -4.808 1.00 0.00 H new ATOM 1247 N THR A 76 -6.565 -12.932 -4.917 1.00 0.00 N ATOM 1248 CA THR A 76 -7.936 -13.215 -5.350 1.00 0.00 C ATOM 1249 C THR A 76 -8.754 -13.787 -4.182 1.00 0.00 C ATOM 1250 O THR A 76 -8.196 -14.137 -3.136 1.00 0.00 O ATOM 1251 CB THR A 76 -7.945 -14.081 -6.647 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.902 -15.468 -6.427 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.783 -13.797 -7.614 1.00 0.00 C ATOM 0 H THR A 76 -6.147 -13.675 -4.357 1.00 0.00 H new ATOM 0 HA THR A 76 -8.437 -12.289 -5.632 1.00 0.00 H new ATOM 0 HB THR A 76 -8.900 -13.783 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.913 -15.936 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.870 -14.444 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.819 -12.754 -7.930 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.836 -13.991 -7.111 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.079 -13.862 -4.351 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.046 -14.453 -3.418 1.00 0.00 C ATOM 1263 C LYS A 77 -12.132 -15.145 -4.248 1.00 0.00 C ATOM 1264 O LYS A 77 -12.219 -14.930 -5.460 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.672 -13.383 -2.501 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.709 -12.845 -1.420 1.00 0.00 C ATOM 1267 CD LYS A 77 -10.264 -11.396 -1.670 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.459 -10.420 -1.609 1.00 0.00 C ATOM 1269 NZ LYS A 77 -11.189 -9.119 -2.267 1.00 0.00 N ATOM 0 H LYS A 77 -10.530 -13.492 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.539 -15.169 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.017 -12.550 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.551 -13.805 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.196 -12.905 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.828 -13.486 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.520 -11.109 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.784 -11.325 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.324 -10.886 -2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.722 -10.244 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.088 -8.683 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.697 -8.489 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.593 -9.271 -3.105 1.00 0.00 H new ATOM 1283 N ALA A 78 -12.983 -15.932 -3.582 1.00 0.00 N ATOM 1284 CA ALA A 78 -14.263 -16.352 -4.143 1.00 0.00 C ATOM 1285 C ALA A 78 -15.119 -15.110 -4.442 1.00 0.00 C ATOM 1286 O ALA A 78 -14.858 -14.028 -3.909 1.00 0.00 O ATOM 1287 CB ALA A 78 -14.967 -17.294 -3.152 1.00 0.00 C ATOM 0 H ALA A 78 -12.802 -16.292 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.109 -16.893 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.924 -17.610 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.342 -18.169 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.135 -16.772 -2.210 1.00 0.00 H new ATOM 1293 N GLN A 79 -16.170 -15.267 -5.251 1.00 0.00 N ATOM 1294 CA GLN A 79 -17.110 -14.200 -5.601 1.00 0.00 C ATOM 1295 C GLN A 79 -18.103 -13.958 -4.451 1.00 0.00 C ATOM 1296 O GLN A 79 -19.310 -14.159 -4.594 1.00 0.00 O ATOM 1297 CB GLN A 79 -17.781 -14.509 -6.952 1.00 0.00 C ATOM 1298 CG GLN A 79 -16.767 -14.514 -8.105 1.00 0.00 C ATOM 1299 CD GLN A 79 -17.492 -14.492 -9.451 1.00 0.00 C ATOM 1300 OE1 GLN A 79 -17.526 -13.479 -10.147 1.00 0.00 O ATOM 1301 NE2 GLN A 79 -18.120 -15.594 -9.836 1.00 0.00 N ATOM 0 H GLN A 79 -16.396 -16.159 -5.690 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.575 -13.260 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -18.275 -15.479 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.555 -13.767 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -16.110 -13.648 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.136 -15.400 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.087 -16.430 -9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.636 -15.606 -10.716 1.00 0.00 H new ATOM 1310 N LEU A 80 -17.579 -13.565 -3.285 1.00 0.00 N ATOM 1311 CA LEU A 80 -18.335 -13.311 -2.056 1.00 0.00 C ATOM 1312 C LEU A 80 -19.427 -12.250 -2.266 1.00 0.00 C ATOM 1313 O LEU A 80 -20.488 -12.330 -1.644 1.00 0.00 O ATOM 1314 CB LEU A 80 -17.347 -12.873 -0.959 1.00 0.00 C ATOM 1315 CG LEU A 80 -17.987 -12.602 0.419 1.00 0.00 C ATOM 1316 CD1 LEU A 80 -18.646 -13.853 1.014 1.00 0.00 C ATOM 1317 CD2 LEU A 80 -16.905 -12.096 1.382 1.00 0.00 C ATOM 0 H LEU A 80 -16.578 -13.409 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 80 -18.846 -14.226 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.587 -13.646 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.836 -11.969 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 80 -18.768 -11.854 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -19.081 -13.609 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -19.429 -14.206 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.896 -14.634 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.349 -11.902 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.125 -12.851 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.472 -11.175 0.991 1.00 0.00 H new ATOM 1329 N SER A 81 -19.186 -11.299 -3.171 1.00 0.00 N ATOM 1330 CA SER A 81 -20.026 -10.136 -3.423 1.00 0.00 C ATOM 1331 C SER A 81 -20.488 -10.134 -4.888 1.00 0.00 C ATOM 1332 O SER A 81 -20.522 -9.090 -5.545 1.00 0.00 O ATOM 1333 CB SER A 81 -19.260 -8.872 -3.013 1.00 0.00 C ATOM 1334 OG SER A 81 -18.786 -8.972 -1.673 1.00 0.00 O ATOM 0 H SER A 81 -18.363 -11.324 -3.772 1.00 0.00 H new ATOM 0 HA SER A 81 -20.934 -10.168 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 81 -18.419 -8.717 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 81 -19.910 -8.002 -3.108 1.00 0.00 H new ATOM 0 HG SER A 81 -18.300 -8.155 -1.436 1.00 0.00 H new ATOM 1340 N LYS A 82 -20.829 -11.324 -5.420 1.00 0.00 N ATOM 1341 CA LYS A 82 -21.436 -11.496 -6.748 1.00 0.00 C ATOM 1342 C LYS A 82 -22.667 -10.585 -6.903 1.00 0.00 C ATOM 1343 O LYS A 82 -22.893 -10.020 -7.976 1.00 0.00 O ATOM 1344 CB LYS A 82 -21.812 -12.981 -6.937 1.00 0.00 C ATOM 1345 CG LYS A 82 -22.246 -13.318 -8.375 1.00 0.00 C ATOM 1346 CD LYS A 82 -22.816 -14.739 -8.523 1.00 0.00 C ATOM 1347 CE LYS A 82 -21.798 -15.843 -8.184 1.00 0.00 C ATOM 1348 NZ LYS A 82 -22.368 -17.205 -8.372 1.00 0.00 N ATOM 0 H LYS A 82 -20.687 -12.206 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 82 -20.721 -11.209 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -20.958 -13.603 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -22.621 -13.235 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -22.997 -12.597 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -21.390 -13.206 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -23.685 -14.844 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -23.165 -14.878 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -20.916 -15.729 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -21.468 -15.727 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -21.650 -17.918 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -23.194 -17.324 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -22.659 -17.326 -9.363 1.00 0.00 H new ATOM 1362 N ASP A 83 -23.412 -10.401 -5.814 1.00 0.00 N ATOM 1363 CA ASP A 83 -24.416 -9.356 -5.642 1.00 0.00 C ATOM 1364 C ASP A 83 -24.106 -8.645 -4.321 1.00 0.00 C ATOM 1365 O ASP A 83 -23.481 -9.235 -3.431 1.00 0.00 O ATOM 1366 CB ASP A 83 -25.825 -9.959 -5.643 1.00 0.00 C ATOM 1367 CG ASP A 83 -26.898 -8.913 -5.279 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -26.841 -7.773 -5.800 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -27.794 -9.240 -4.466 1.00 0.00 O ATOM 0 H ASP A 83 -23.328 -11.002 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 83 -24.384 -8.642 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -26.042 -10.374 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -25.867 -10.785 -4.933 1.00 0.00 H new ATOM 1374 N LEU A 84 -24.499 -7.374 -4.210 1.00 0.00 N ATOM 1375 CA LEU A 84 -24.149 -6.502 -3.092 1.00 0.00 C ATOM 1376 C LEU A 84 -25.149 -5.352 -2.954 1.00 0.00 C ATOM 1377 O LEU A 84 -25.473 -4.954 -1.835 1.00 0.00 O ATOM 1378 CB LEU A 84 -22.731 -5.941 -3.329 1.00 0.00 C ATOM 1379 CG LEU A 84 -22.173 -5.088 -2.172 1.00 0.00 C ATOM 1380 CD1 LEU A 84 -22.018 -5.898 -0.883 1.00 0.00 C ATOM 1381 CD2 LEU A 84 -20.807 -4.522 -2.574 1.00 0.00 C ATOM 0 H LEU A 84 -25.081 -6.915 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 84 -24.178 -7.079 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -22.051 -6.774 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -22.741 -5.336 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 84 -22.884 -4.284 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.622 -5.257 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -22.990 -6.288 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.332 -6.727 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -20.409 -3.918 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.121 -5.342 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.918 -3.902 -3.464 1.00 0.00 H new ATOM 1393 N ASP A 85 -25.636 -4.811 -4.079 1.00 0.00 N ATOM 1394 CA ASP A 85 -26.520 -3.643 -4.074 1.00 0.00 C ATOM 1395 C ASP A 85 -27.909 -3.964 -3.505 1.00 0.00 C ATOM 1396 O ASP A 85 -28.531 -3.100 -2.879 1.00 0.00 O ATOM 1397 CB ASP A 85 -26.665 -3.085 -5.496 1.00 0.00 C ATOM 1398 CG ASP A 85 -27.518 -1.805 -5.522 1.00 0.00 C ATOM 1399 OD1 ASP A 85 -27.098 -0.785 -4.923 1.00 0.00 O ATOM 1400 OD2 ASP A 85 -28.585 -1.794 -6.185 1.00 0.00 O ATOM 0 H ASP A 85 -25.429 -5.170 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 85 -26.061 -2.897 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -25.678 -2.872 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -27.121 -3.839 -6.138 1.00 0.00 H new ATOM 1405 N LYS A 86 -28.404 -5.193 -3.709 1.00 0.00 N ATOM 1406 CA LYS A 86 -29.758 -5.588 -3.304 1.00 0.00 C ATOM 1407 C LYS A 86 -29.762 -6.200 -1.912 1.00 0.00 C ATOM 1408 O LYS A 86 -28.718 -6.550 -1.351 1.00 0.00 O ATOM 1409 CB LYS A 86 -30.412 -6.500 -4.351 1.00 0.00 C ATOM 1410 CG LYS A 86 -30.390 -5.933 -5.771 1.00 0.00 C ATOM 1411 CD LYS A 86 -30.813 -4.463 -5.906 1.00 0.00 C ATOM 1412 CE LYS A 86 -30.712 -4.092 -7.385 1.00 0.00 C ATOM 1413 NZ LYS A 86 -30.869 -2.633 -7.601 1.00 0.00 N ATOM 0 H LYS A 86 -27.876 -5.940 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 86 -30.370 -4.687 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -29.902 -7.463 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -31.446 -6.686 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -29.381 -6.040 -6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -31.046 -6.540 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -31.831 -4.322 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -30.169 -3.822 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -29.747 -4.415 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -31.478 -4.627 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -30.845 -2.428 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -31.779 -2.320 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -30.093 -2.127 -7.128 1.00 0.00 H new ATOM 1427 N LEU A 87 -30.961 -6.251 -1.337 1.00 0.00 N ATOM 1428 CA LEU A 87 -31.177 -6.290 0.099 1.00 0.00 C ATOM 1429 C LEU A 87 -32.533 -6.951 0.334 1.00 0.00 C ATOM 1430 O LEU A 87 -33.494 -6.666 -0.386 1.00 0.00 O ATOM 1431 CB LEU A 87 -31.121 -4.826 0.582 1.00 0.00 C ATOM 1432 CG LEU A 87 -31.303 -4.508 2.072 1.00 0.00 C ATOM 1433 CD1 LEU A 87 -32.767 -4.541 2.508 1.00 0.00 C ATOM 1434 CD2 LEU A 87 -30.420 -5.402 2.939 1.00 0.00 C ATOM 0 H LEU A 87 -31.828 -6.267 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 87 -30.433 -6.864 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -30.156 -4.420 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -31.886 -4.274 0.036 1.00 0.00 H new ATOM 0 HG LEU A 87 -30.973 -3.480 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -32.835 -4.309 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -33.333 -3.804 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -33.178 -5.534 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -30.571 -5.153 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -30.684 -6.446 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -29.374 -5.246 2.676 1.00 0.00 H new ATOM 1446 N VAL A 88 -32.598 -7.824 1.339 1.00 0.00 N ATOM 1447 CA VAL A 88 -33.791 -8.575 1.730 1.00 0.00 C ATOM 1448 C VAL A 88 -33.890 -8.587 3.272 1.00 0.00 C ATOM 1449 O VAL A 88 -32.886 -8.324 3.947 1.00 0.00 O ATOM 1450 CB VAL A 88 -33.760 -10.001 1.125 1.00 0.00 C ATOM 1451 CG1 VAL A 88 -33.751 -9.989 -0.414 1.00 0.00 C ATOM 1452 CG2 VAL A 88 -32.575 -10.839 1.626 1.00 0.00 C ATOM 0 H VAL A 88 -31.791 -8.036 1.925 1.00 0.00 H new ATOM 0 HA VAL A 88 -34.686 -8.094 1.335 1.00 0.00 H new ATOM 0 HB VAL A 88 -34.683 -10.467 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -33.729 -11.013 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -34.648 -9.490 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -32.869 -9.455 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -32.608 -11.827 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -31.641 -10.345 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -32.633 -10.940 2.710 1.00 0.00 H new ATOM 1462 N PRO A 89 -35.081 -8.859 3.842 1.00 0.00 N ATOM 1463 CA PRO A 89 -35.285 -9.002 5.278 1.00 0.00 C ATOM 1464 C PRO A 89 -34.353 -10.037 5.924 1.00 0.00 C ATOM 1465 O PRO A 89 -33.872 -10.968 5.266 1.00 0.00 O ATOM 1466 CB PRO A 89 -36.754 -9.412 5.449 1.00 0.00 C ATOM 1467 CG PRO A 89 -37.435 -8.901 4.188 1.00 0.00 C ATOM 1468 CD PRO A 89 -36.339 -9.000 3.134 1.00 0.00 C ATOM 0 HA PRO A 89 -35.051 -8.064 5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -36.857 -10.493 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -37.189 -8.968 6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -38.302 -9.507 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -37.787 -7.876 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -36.387 -9.956 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -36.451 -8.220 2.381 1.00 0.00 H new ATOM 1476 N ARG A 90 -34.139 -9.889 7.236 1.00 0.00 N ATOM 1477 CA ARG A 90 -33.454 -10.891 8.051 1.00 0.00 C ATOM 1478 C ARG A 90 -34.247 -12.196 8.021 1.00 0.00 C ATOM 1479 O ARG A 90 -35.493 -12.149 8.152 1.00 0.00 O ATOM 1480 CB ARG A 90 -33.241 -10.406 9.480 1.00 0.00 C ATOM 1481 CG ARG A 90 -32.058 -9.420 9.517 1.00 0.00 C ATOM 1482 CD ARG A 90 -31.919 -8.843 10.919 1.00 0.00 C ATOM 1483 NE ARG A 90 -31.417 -9.831 11.895 1.00 0.00 N ATOM 1484 CZ ARG A 90 -31.343 -9.657 13.220 1.00 0.00 C ATOM 1485 NH1 ARG A 90 -31.734 -8.516 13.786 1.00 0.00 N ATOM 1486 NH2 ARG A 90 -30.870 -10.634 13.990 1.00 0.00 N ATOM 1487 OXT ARG A 90 -33.620 -13.272 7.888 1.00 0.00 O ATOM 0 H ARG A 90 -34.438 -9.067 7.761 1.00 0.00 H new ATOM 0 HA ARG A 90 -32.464 -11.065 7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -34.144 -9.921 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -33.043 -11.253 10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -31.138 -9.929 9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -32.217 -8.618 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -31.241 -7.990 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -32.888 -8.470 11.252 1.00 0.00 H new ATOM 0 HE ARG A 90 -31.098 -10.727 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -32.097 -7.758 13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -31.671 -8.401 14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -30.565 -11.512 13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -30.812 -10.505 15.000 1.00 0.00 H new TER 1501 ARG A 90