USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 387 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 164:sc= 0 (180deg=-0.315) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -50:sc= 0.101 USER MOD Single : A 28 TYR OH : rot 19:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 166:sc= -1.86! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0933 X(o=-0.093,f=-0.093) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.548 -14.639 -2.041 0.01 0.01 N ATOM 2 CA ALA A 1 5.309 -15.463 -2.009 1.00 0.00 C ATOM 3 C ALA A 1 4.605 -15.554 -3.378 1.00 0.00 C ATOM 4 O ALA A 1 4.338 -16.659 -3.845 1.00 0.00 O ATOM 5 CB ALA A 1 4.339 -15.025 -0.890 1.00 0.00 C ATOM 0 H1 ALA A 1 6.974 -14.616 -1.093 0.01 0.01 H new ATOM 0 H2 ALA A 1 7.223 -15.054 -2.714 0.01 0.01 H new ATOM 0 H3 ALA A 1 6.313 -13.670 -2.338 0.01 0.01 H new ATOM 0 HA ALA A 1 5.637 -16.474 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.451 -15.657 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.832 -15.122 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.048 -13.986 -1.047 1.00 0.00 H new ATOM 13 N LEU A 2 4.255 -14.418 -4.010 1.00 0.00 N ATOM 14 CA LEU A 2 3.391 -14.312 -5.211 1.00 0.00 C ATOM 15 C LEU A 2 1.964 -14.919 -5.062 1.00 0.00 C ATOM 16 O LEU A 2 1.250 -15.108 -6.050 1.00 0.00 O ATOM 17 CB LEU A 2 4.128 -14.779 -6.492 1.00 0.00 C ATOM 18 CG LEU A 2 5.121 -13.751 -7.074 1.00 0.00 C ATOM 19 CD1 LEU A 2 6.557 -14.032 -6.641 1.00 0.00 C ATOM 20 CD2 LEU A 2 5.078 -13.772 -8.603 1.00 0.00 C ATOM 0 H LEU A 2 4.579 -13.506 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 2 3.192 -13.246 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.667 -15.700 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.387 -15.020 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 2 4.817 -12.776 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.221 -13.284 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.624 -13.991 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.854 -15.023 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.784 -13.041 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.347 -14.766 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.072 -13.524 -8.942 1.00 0.00 H new ATOM 32 N VAL A 3 1.510 -15.176 -3.833 1.00 0.00 N ATOM 33 CA VAL A 3 0.163 -15.705 -3.536 1.00 0.00 C ATOM 34 C VAL A 3 -0.908 -14.622 -3.734 1.00 0.00 C ATOM 35 O VAL A 3 -0.759 -13.504 -3.236 1.00 0.00 O ATOM 36 CB VAL A 3 0.098 -16.261 -2.095 1.00 0.00 C ATOM 37 CG1 VAL A 3 -1.279 -16.842 -1.746 1.00 0.00 C ATOM 38 CG2 VAL A 3 1.145 -17.363 -1.875 1.00 0.00 C ATOM 0 H VAL A 3 2.073 -15.022 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.037 -16.519 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 3 0.299 -15.409 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.267 -17.218 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.036 -16.063 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.513 -17.658 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.074 -17.734 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.963 -18.182 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.142 -16.957 -2.045 1.00 0.00 H new ATOM 48 N ASP A 4 -2.012 -14.955 -4.413 1.00 0.00 N ATOM 49 CA ASP A 4 -3.188 -14.076 -4.577 1.00 0.00 C ATOM 50 C ASP A 4 -3.736 -13.546 -3.243 1.00 0.00 C ATOM 51 O ASP A 4 -4.060 -12.366 -3.151 1.00 0.00 O ATOM 52 CB ASP A 4 -4.291 -14.824 -5.350 1.00 0.00 C ATOM 53 CG ASP A 4 -5.617 -14.033 -5.454 1.00 0.00 C ATOM 54 OD1 ASP A 4 -5.708 -13.110 -6.299 1.00 0.00 O ATOM 55 OD2 ASP A 4 -6.569 -14.355 -4.703 1.00 0.00 O ATOM 0 H ASP A 4 -2.120 -15.858 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.860 -13.204 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.931 -15.048 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.484 -15.778 -4.860 1.00 0.00 H new ATOM 60 N GLU A 5 -3.766 -14.383 -2.197 1.00 0.00 N ATOM 61 CA GLU A 5 -4.192 -13.992 -0.833 1.00 0.00 C ATOM 62 C GLU A 5 -3.316 -12.898 -0.221 1.00 0.00 C ATOM 63 O GLU A 5 -3.840 -11.968 0.387 1.00 0.00 O ATOM 64 CB GLU A 5 -4.213 -15.197 0.123 1.00 0.00 C ATOM 65 CG GLU A 5 -5.261 -15.026 1.220 1.00 0.00 C ATOM 66 CD GLU A 5 -5.085 -16.087 2.301 1.00 0.00 C ATOM 67 OE1 GLU A 5 -5.237 -17.290 1.994 1.00 0.00 O ATOM 68 OE2 GLU A 5 -4.812 -15.710 3.463 1.00 0.00 O ATOM 0 H GLU A 5 -3.493 -15.363 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.201 -13.597 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.421 -16.106 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.229 -15.321 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.175 -14.033 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.260 -15.099 0.790 1.00 0.00 H new ATOM 75 N VAL A 6 -1.993 -12.978 -0.421 1.00 0.00 N ATOM 76 CA VAL A 6 -1.048 -11.924 -0.003 1.00 0.00 C ATOM 77 C VAL A 6 -1.320 -10.639 -0.776 1.00 0.00 C ATOM 78 O VAL A 6 -1.507 -9.600 -0.148 1.00 0.00 O ATOM 79 CB VAL A 6 0.433 -12.334 -0.174 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.414 -11.170 0.037 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.796 -13.428 0.838 1.00 0.00 C ATOM 0 H VAL A 6 -1.545 -13.773 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.213 -11.763 1.062 1.00 0.00 H new ATOM 0 HB VAL A 6 0.527 -12.684 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.435 -11.526 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.206 -10.383 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.298 -10.774 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.841 -13.710 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.643 -13.053 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.162 -14.300 0.675 1.00 0.00 H new ATOM 91 N LYS A 7 -1.395 -10.698 -2.113 1.00 0.00 N ATOM 92 CA LYS A 7 -1.672 -9.503 -2.915 1.00 0.00 C ATOM 93 C LYS A 7 -2.970 -8.819 -2.462 1.00 0.00 C ATOM 94 O LYS A 7 -2.927 -7.647 -2.108 1.00 0.00 O ATOM 95 CB LYS A 7 -1.680 -9.798 -4.429 1.00 0.00 C ATOM 96 CG LYS A 7 -0.331 -9.480 -5.101 1.00 0.00 C ATOM 97 CD LYS A 7 0.731 -10.581 -4.930 1.00 0.00 C ATOM 98 CE LYS A 7 0.651 -11.639 -6.040 1.00 0.00 C ATOM 99 NZ LYS A 7 1.277 -11.176 -7.301 1.00 0.00 N ATOM 0 H LYS A 7 -1.269 -11.552 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.851 -8.807 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.923 -10.848 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.466 -9.212 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.498 -9.313 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.057 -8.548 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.723 -10.130 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.600 -11.063 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.144 -12.552 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.393 -11.890 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.199 -11.922 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.791 -10.320 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.280 -10.961 -7.132 1.00 0.00 H new ATOM 113 N ASP A 8 -4.103 -9.529 -2.388 1.00 0.00 N ATOM 114 CA ASP A 8 -5.394 -8.971 -1.948 1.00 0.00 C ATOM 115 C ASP A 8 -5.316 -8.314 -0.560 1.00 0.00 C ATOM 116 O ASP A 8 -5.720 -7.168 -0.404 1.00 0.00 O ATOM 117 CB ASP A 8 -6.479 -10.070 -1.999 1.00 0.00 C ATOM 118 CG ASP A 8 -7.856 -9.541 -2.450 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.005 -9.182 -3.645 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.798 -9.508 -1.622 1.00 0.00 O ATOM 0 H ASP A 8 -4.153 -10.518 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.665 -8.171 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.158 -10.858 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.576 -10.523 -1.012 1.00 0.00 H new ATOM 125 N MET A 9 -4.754 -9.023 0.424 1.00 0.00 N ATOM 126 CA MET A 9 -4.562 -8.481 1.785 1.00 0.00 C ATOM 127 C MET A 9 -3.722 -7.177 1.808 1.00 0.00 C ATOM 128 O MET A 9 -4.041 -6.231 2.539 1.00 0.00 O ATOM 129 CB MET A 9 -3.941 -9.529 2.723 1.00 0.00 C ATOM 130 CG MET A 9 -4.188 -9.144 4.190 1.00 0.00 C ATOM 131 SD MET A 9 -3.369 -10.190 5.429 1.00 0.00 S ATOM 132 CE MET A 9 -4.711 -11.340 5.838 1.00 0.00 C ATOM 0 H MET A 9 -4.420 -9.980 0.308 1.00 0.00 H new ATOM 0 HA MET A 9 -5.558 -8.227 2.147 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.371 -10.510 2.520 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.870 -9.606 2.535 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.860 -8.115 4.336 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.262 -9.166 4.376 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.365 -12.050 6.589 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.562 -10.782 6.230 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.014 -11.880 4.941 1.00 0.00 H new ATOM 142 N GLU A 10 -2.678 -7.099 0.974 1.00 0.00 N ATOM 143 CA GLU A 10 -1.822 -5.901 0.837 1.00 0.00 C ATOM 144 C GLU A 10 -2.513 -4.789 0.044 1.00 0.00 C ATOM 145 O GLU A 10 -2.399 -3.624 0.411 1.00 0.00 O ATOM 146 CB GLU A 10 -0.469 -6.206 0.176 1.00 0.00 C ATOM 147 CG GLU A 10 0.357 -7.318 0.839 1.00 0.00 C ATOM 148 CD GLU A 10 1.740 -6.874 1.298 1.00 0.00 C ATOM 149 OE1 GLU A 10 1.851 -6.368 2.437 1.00 0.00 O ATOM 150 OE2 GLU A 10 2.720 -7.129 0.560 1.00 0.00 O ATOM 0 H GLU A 10 -2.396 -7.869 0.367 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.643 -5.564 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.646 -6.481 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.125 -5.292 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.193 -7.702 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.467 -8.143 0.136 1.00 0.00 H new ATOM 157 N ILE A 11 -3.314 -5.090 -0.982 1.00 0.00 N ATOM 158 CA ILE A 11 -4.092 -4.117 -1.762 1.00 0.00 C ATOM 159 C ILE A 11 -5.231 -3.517 -0.917 1.00 0.00 C ATOM 160 O ILE A 11 -5.456 -2.312 -0.937 1.00 0.00 O ATOM 161 CB ILE A 11 -4.665 -4.860 -2.997 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.531 -5.195 -3.989 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.778 -4.063 -3.703 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.862 -6.363 -4.930 1.00 0.00 C ATOM 0 H ILE A 11 -3.445 -6.049 -1.305 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.454 -3.290 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.117 -5.784 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.309 -4.310 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.628 -5.436 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.143 -4.629 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.598 -3.889 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.381 -3.106 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.020 -6.542 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.055 -7.260 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.746 -6.117 -5.518 1.00 0.00 H new ATOM 176 N ALA A 12 -5.942 -4.337 -0.141 1.00 0.00 N ATOM 177 CA ALA A 12 -6.902 -3.882 0.870 1.00 0.00 C ATOM 178 C ALA A 12 -6.284 -2.876 1.864 1.00 0.00 C ATOM 179 O ALA A 12 -6.953 -1.933 2.298 1.00 0.00 O ATOM 180 CB ALA A 12 -7.470 -5.109 1.589 1.00 0.00 C ATOM 0 H ALA A 12 -5.867 -5.353 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.706 -3.341 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.187 -4.788 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.969 -5.755 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.659 -5.658 2.067 1.00 0.00 H new ATOM 186 N ARG A 13 -4.994 -3.030 2.183 1.00 0.00 N ATOM 187 CA ARG A 13 -4.225 -2.026 2.923 1.00 0.00 C ATOM 188 C ARG A 13 -4.133 -0.665 2.176 1.00 0.00 C ATOM 189 O ARG A 13 -4.248 0.383 2.816 1.00 0.00 O ATOM 190 CB ARG A 13 -2.843 -2.608 3.287 1.00 0.00 C ATOM 191 CG ARG A 13 -2.730 -2.955 4.775 1.00 0.00 C ATOM 192 CD ARG A 13 -3.524 -4.228 5.100 1.00 0.00 C ATOM 193 NE ARG A 13 -3.792 -4.340 6.544 1.00 0.00 N ATOM 194 CZ ARG A 13 -4.947 -4.641 7.116 1.00 0.00 C ATOM 195 NH1 ARG A 13 -6.022 -4.924 6.429 1.00 0.00 N ATOM 196 NH2 ARG A 13 -5.048 -4.662 8.416 1.00 0.00 N ATOM 0 H ARG A 13 -4.453 -3.858 1.934 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.755 -1.795 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.661 -3.503 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.068 -1.888 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.683 -3.096 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.103 -2.125 5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.467 -4.220 4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.967 -5.102 4.763 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.005 -4.167 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.992 -4.919 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.891 -5.150 6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.236 -4.446 8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.939 -4.894 8.855 1.00 0.00 H new ATOM 210 N LEU A 14 -4.022 -0.655 0.837 1.00 0.00 N ATOM 211 CA LEU A 14 -4.159 0.570 0.020 1.00 0.00 C ATOM 212 C LEU A 14 -5.560 1.192 0.111 1.00 0.00 C ATOM 213 O LEU A 14 -5.657 2.391 0.378 1.00 0.00 O ATOM 214 CB LEU A 14 -3.758 0.392 -1.463 1.00 0.00 C ATOM 215 CG LEU A 14 -2.249 0.220 -1.665 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.855 -1.240 -1.526 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.766 0.740 -3.012 1.00 0.00 C ATOM 0 H LEU A 14 -3.835 -1.494 0.288 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.441 1.259 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.274 -0.478 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.097 1.258 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.770 0.816 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.780 -1.342 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.121 -1.595 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.381 -1.832 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.690 0.590 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.271 0.200 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.992 1.803 -3.094 1.00 0.00 H new ATOM 229 N MET A 15 -6.663 0.442 -0.023 1.00 0.00 N ATOM 230 CA MET A 15 -8.015 0.981 0.210 1.00 0.00 C ATOM 231 C MET A 15 -8.182 1.681 1.573 1.00 0.00 C ATOM 232 O MET A 15 -8.676 2.805 1.630 1.00 0.00 O ATOM 233 CB MET A 15 -9.041 -0.162 0.058 1.00 0.00 C ATOM 234 CG MET A 15 -9.894 -0.057 -1.212 1.00 0.00 C ATOM 235 SD MET A 15 -11.300 1.091 -1.083 1.00 0.00 S ATOM 236 CE MET A 15 -10.659 2.565 -1.924 1.00 0.00 C ATOM 0 H MET A 15 -6.648 -0.542 -0.292 1.00 0.00 H new ATOM 0 HA MET A 15 -8.186 1.756 -0.537 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.512 -1.115 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.698 -0.167 0.928 1.00 0.00 H new ATOM 0 HG2 MET A 15 -9.257 0.260 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.272 -1.048 -1.464 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.485 3.231 -2.171 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.959 3.082 -1.268 1.00 0.00 H new ATOM 0 HE3 MET A 15 -10.147 2.268 -2.839 1.00 0.00 H new ATOM 246 N SER A 16 -7.701 1.045 2.645 1.00 0.00 N ATOM 247 CA SER A 16 -7.694 1.638 3.991 1.00 0.00 C ATOM 248 C SER A 16 -6.997 3.016 4.056 1.00 0.00 C ATOM 249 O SER A 16 -7.421 3.885 4.832 1.00 0.00 O ATOM 250 CB SER A 16 -7.046 0.668 4.988 1.00 0.00 C ATOM 251 OG SER A 16 -7.359 1.019 6.331 1.00 0.00 O ATOM 0 H SER A 16 -7.305 0.106 2.607 1.00 0.00 H new ATOM 0 HA SER A 16 -8.736 1.810 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.389 -0.347 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.965 0.672 4.852 1.00 0.00 H new ATOM 0 HG SER A 16 -6.934 0.383 6.943 1.00 0.00 H new ATOM 257 N LEU A 17 -5.963 3.254 3.240 1.00 0.00 N ATOM 258 CA LEU A 17 -5.260 4.539 3.152 1.00 0.00 C ATOM 259 C LEU A 17 -5.859 5.571 2.171 1.00 0.00 C ATOM 260 O LEU A 17 -5.597 6.762 2.354 1.00 0.00 O ATOM 261 CB LEU A 17 -3.776 4.302 2.809 1.00 0.00 C ATOM 262 CG LEU A 17 -2.856 3.955 3.997 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.410 3.879 3.499 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.879 5.001 5.111 1.00 0.00 C ATOM 0 H LEU A 17 -5.585 2.546 2.611 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.379 4.986 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.716 3.493 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.388 5.198 2.324 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.222 3.010 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.751 3.634 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.329 3.108 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.119 4.841 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.209 4.692 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.551 5.962 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.893 5.096 5.500 1.00 0.00 H new ATOM 276 N GLY A 18 -6.650 5.195 1.152 1.00 0.00 N ATOM 277 CA GLY A 18 -7.275 6.159 0.225 1.00 0.00 C ATOM 278 C GLY A 18 -6.596 6.242 -1.151 1.00 0.00 C ATOM 279 O GLY A 18 -6.120 7.311 -1.539 1.00 0.00 O ATOM 0 H GLY A 18 -6.874 4.221 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.321 5.886 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.262 7.148 0.684 1.00 0.00 H new ATOM 283 N LEU A 19 -6.516 5.120 -1.874 1.00 0.00 N ATOM 284 CA LEU A 19 -5.826 4.971 -3.170 1.00 0.00 C ATOM 285 C LEU A 19 -6.747 4.355 -4.264 1.00 0.00 C ATOM 286 O LEU A 19 -7.901 4.006 -3.996 1.00 0.00 O ATOM 287 CB LEU A 19 -4.557 4.122 -2.920 1.00 0.00 C ATOM 288 CG LEU A 19 -3.438 4.879 -2.167 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.802 4.044 -1.059 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.316 5.300 -3.118 1.00 0.00 C ATOM 0 H LEU A 19 -6.948 4.250 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.549 5.950 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.831 3.235 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.168 3.776 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.926 5.750 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.024 4.626 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.564 3.765 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.364 3.143 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.545 5.830 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.883 4.415 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.720 5.956 -3.889 1.00 0.00 H new ATOM 302 N SER A 20 -6.228 4.281 -5.494 1.00 0.00 N ATOM 303 CA SER A 20 -6.883 3.777 -6.720 1.00 0.00 C ATOM 304 C SER A 20 -7.337 2.285 -6.654 1.00 0.00 C ATOM 305 O SER A 20 -7.505 1.715 -5.574 1.00 0.00 O ATOM 306 CB SER A 20 -5.957 4.061 -7.920 1.00 0.00 C ATOM 307 OG SER A 20 -5.492 5.401 -7.921 1.00 0.00 O ATOM 0 H SER A 20 -5.274 4.591 -5.679 1.00 0.00 H new ATOM 0 HA SER A 20 -7.824 4.315 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.106 3.381 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.493 3.862 -8.848 1.00 0.00 H new ATOM 0 HG SER A 20 -4.907 5.544 -8.694 1.00 0.00 H new ATOM 313 N ILE A 21 -7.516 1.616 -7.806 1.00 0.00 N ATOM 314 CA ILE A 21 -7.870 0.176 -7.863 1.00 0.00 C ATOM 315 C ILE A 21 -6.713 -0.603 -8.518 1.00 0.00 C ATOM 316 O ILE A 21 -5.734 -0.897 -7.839 1.00 0.00 O ATOM 317 CB ILE A 21 -9.251 -0.065 -8.527 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.392 0.757 -7.868 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.634 -1.558 -8.464 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.113 1.719 -8.828 1.00 0.00 C ATOM 0 H ILE A 21 -7.421 2.051 -8.724 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.993 -0.209 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.144 0.263 -9.561 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.123 0.068 -7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.979 1.331 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.606 -1.705 -8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.883 -2.149 -8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.684 -1.877 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.895 2.254 -8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.397 2.434 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.559 1.151 -9.645 1.00 0.00 H new ATOM 332 N GLU A 22 -6.765 -0.837 -9.833 1.00 0.00 N ATOM 333 CA GLU A 22 -5.749 -1.609 -10.595 1.00 0.00 C ATOM 334 C GLU A 22 -4.405 -0.879 -10.693 1.00 0.00 C ATOM 335 O GLU A 22 -3.343 -1.506 -10.695 1.00 0.00 O ATOM 336 CB GLU A 22 -6.255 -1.973 -12.002 1.00 0.00 C ATOM 337 CG GLU A 22 -6.020 -3.449 -12.316 1.00 0.00 C ATOM 338 CD GLU A 22 -6.485 -3.769 -13.731 1.00 0.00 C ATOM 339 OE1 GLU A 22 -7.711 -3.895 -13.945 1.00 0.00 O ATOM 340 OE2 GLU A 22 -5.620 -3.908 -14.626 1.00 0.00 O ATOM 0 H GLU A 22 -7.525 -0.493 -10.419 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.585 -2.528 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.319 -1.749 -12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.747 -1.357 -12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.961 -3.686 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.558 -4.070 -11.600 1.00 0.00 H new ATOM 347 N GLU A 23 -4.454 0.462 -10.702 1.00 0.00 N ATOM 348 CA GLU A 23 -3.254 1.310 -10.599 1.00 0.00 C ATOM 349 C GLU A 23 -2.634 1.209 -9.212 1.00 0.00 C ATOM 350 O GLU A 23 -1.456 0.895 -9.123 1.00 0.00 O ATOM 351 CB GLU A 23 -3.531 2.775 -10.953 1.00 0.00 C ATOM 352 CG GLU A 23 -2.257 3.604 -11.153 1.00 0.00 C ATOM 353 CD GLU A 23 -1.701 3.467 -12.568 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.182 2.385 -12.921 1.00 0.00 O ATOM 355 OE2 GLU A 23 -1.760 4.465 -13.323 1.00 0.00 O ATOM 0 H GLU A 23 -5.324 0.989 -10.781 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.545 0.931 -11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.128 2.814 -11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.128 3.226 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.471 4.653 -10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.501 3.286 -10.434 1.00 0.00 H new ATOM 362 N ALA A 24 -3.398 1.376 -8.122 1.00 0.00 N ATOM 363 CA ALA A 24 -2.911 1.129 -6.763 1.00 0.00 C ATOM 364 C ALA A 24 -2.253 -0.254 -6.592 1.00 0.00 C ATOM 365 O ALA A 24 -1.125 -0.312 -6.114 1.00 0.00 O ATOM 366 CB ALA A 24 -4.074 1.338 -5.787 1.00 0.00 C ATOM 0 H ALA A 24 -4.369 1.686 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.114 1.840 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.731 1.158 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.440 2.361 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.879 0.643 -6.026 1.00 0.00 H new ATOM 372 N THR A 25 -2.904 -1.347 -7.007 1.00 0.00 N ATOM 373 CA THR A 25 -2.293 -2.689 -6.873 1.00 0.00 C ATOM 374 C THR A 25 -0.885 -2.790 -7.500 1.00 0.00 C ATOM 375 O THR A 25 0.040 -3.354 -6.906 1.00 0.00 O ATOM 376 CB THR A 25 -3.164 -3.850 -7.416 1.00 0.00 C ATOM 377 OG1 THR A 25 -3.045 -4.062 -8.805 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.663 -3.724 -7.142 1.00 0.00 C ATOM 0 H THR A 25 -3.832 -1.339 -7.430 1.00 0.00 H new ATOM 0 HA THR A 25 -2.212 -2.806 -5.792 1.00 0.00 H new ATOM 0 HB THR A 25 -2.753 -4.689 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.156 -3.210 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.183 -4.585 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.834 -3.686 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.042 -2.811 -7.603 1.00 0.00 H new ATOM 386 N GLU A 26 -0.692 -2.168 -8.673 1.00 0.00 N ATOM 387 CA GLU A 26 0.631 -2.053 -9.318 1.00 0.00 C ATOM 388 C GLU A 26 1.549 -1.015 -8.682 1.00 0.00 C ATOM 389 O GLU A 26 2.764 -1.184 -8.736 1.00 0.00 O ATOM 390 CB GLU A 26 0.503 -1.721 -10.814 1.00 0.00 C ATOM 391 CG GLU A 26 0.641 -2.987 -11.657 1.00 0.00 C ATOM 392 CD GLU A 26 0.673 -2.637 -13.138 1.00 0.00 C ATOM 393 OE1 GLU A 26 1.671 -2.028 -13.589 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.282 -3.003 -13.860 1.00 0.00 O ATOM 0 H GLU A 26 -1.446 -1.730 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 26 1.083 -3.034 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.462 -1.252 -11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.270 -1.001 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.553 -3.517 -11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.192 -3.660 -11.454 1.00 0.00 H new ATOM 401 N PHE A 27 1.006 0.040 -8.062 1.00 0.00 N ATOM 402 CA PHE A 27 1.785 1.065 -7.378 1.00 0.00 C ATOM 403 C PHE A 27 2.414 0.469 -6.121 1.00 0.00 C ATOM 404 O PHE A 27 3.628 0.396 -6.055 1.00 0.00 O ATOM 405 CB PHE A 27 0.891 2.262 -7.024 1.00 0.00 C ATOM 406 CG PHE A 27 1.647 3.467 -6.502 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.363 4.257 -7.422 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.629 3.830 -5.133 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.004 5.432 -7.000 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.238 5.027 -4.725 1.00 0.00 C ATOM 411 CZ PHE A 27 2.920 5.832 -5.654 1.00 0.00 C ATOM 0 H PHE A 27 -0.000 0.203 -8.024 1.00 0.00 H new ATOM 0 HA PHE A 27 2.578 1.418 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.328 2.556 -7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.164 1.950 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.419 3.957 -8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.150 3.190 -4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.561 6.028 -7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.182 5.332 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.379 6.756 -5.335 1.00 0.00 H new ATOM 421 N TYR A 28 1.616 -0.061 -5.188 1.00 0.00 N ATOM 422 CA TYR A 28 2.056 -0.857 -4.032 1.00 0.00 C ATOM 423 C TYR A 28 3.211 -1.824 -4.368 1.00 0.00 C ATOM 424 O TYR A 28 4.290 -1.726 -3.784 1.00 0.00 O ATOM 425 CB TYR A 28 0.807 -1.550 -3.432 1.00 0.00 C ATOM 426 CG TYR A 28 0.860 -3.038 -3.134 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.703 -3.502 -2.120 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.065 -3.964 -3.838 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.842 -4.880 -1.892 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.215 -5.345 -3.619 1.00 0.00 C ATOM 431 CZ TYR A 28 1.138 -5.803 -2.673 1.00 0.00 C ATOM 432 OH TYR A 28 1.332 -7.141 -2.495 1.00 0.00 O ATOM 0 H TYR A 28 0.603 0.057 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 28 2.493 -0.204 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.562 -1.037 -2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.023 -1.382 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.249 -2.798 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.665 -3.611 -4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.497 -5.230 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.381 -6.050 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 28 1.744 -7.298 -1.620 1.00 0.00 H new ATOM 442 N GLU A 29 2.969 -2.737 -5.316 1.00 0.00 N ATOM 443 CA GLU A 29 3.998 -3.731 -5.712 1.00 0.00 C ATOM 444 C GLU A 29 5.308 -3.130 -6.279 1.00 0.00 C ATOM 445 O GLU A 29 6.370 -3.720 -6.085 1.00 0.00 O ATOM 446 CB GLU A 29 3.433 -4.804 -6.654 1.00 0.00 C ATOM 447 CG GLU A 29 2.795 -5.964 -5.876 1.00 0.00 C ATOM 448 CD GLU A 29 3.599 -7.251 -6.025 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.713 -7.332 -5.459 1.00 0.00 O ATOM 450 OE2 GLU A 29 3.105 -8.186 -6.696 1.00 0.00 O ATOM 0 H GLU A 29 2.087 -2.816 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 29 4.282 -4.204 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.689 -4.355 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.231 -5.187 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.724 -5.699 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.778 -6.126 -6.233 1.00 0.00 H new ATOM 457 N ASN A 30 5.281 -1.955 -6.925 1.00 0.00 N ATOM 458 CA ASN A 30 6.485 -1.220 -7.399 1.00 0.00 C ATOM 459 C ASN A 30 7.174 -0.343 -6.321 1.00 0.00 C ATOM 460 O ASN A 30 8.402 -0.215 -6.285 1.00 0.00 O ATOM 461 CB ASN A 30 6.073 -0.311 -8.580 1.00 0.00 C ATOM 462 CG ASN A 30 6.344 -0.967 -9.922 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.056 -0.428 -10.762 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.824 -2.156 -10.155 1.00 0.00 N ATOM 0 H ASN A 30 4.409 -1.471 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 30 7.212 -1.979 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.013 -0.072 -8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.618 0.631 -8.520 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.013 -2.632 -11.037 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.232 -2.600 -9.453 1.00 0.00 H new ATOM 471 N ASP A 31 6.333 0.253 -5.478 1.00 0.00 N ATOM 472 CA ASP A 31 6.698 1.032 -4.295 1.00 0.00 C ATOM 473 C ASP A 31 7.440 0.108 -3.334 1.00 0.00 C ATOM 474 O ASP A 31 8.670 0.186 -3.284 1.00 0.00 O ATOM 475 CB ASP A 31 5.517 1.796 -3.670 1.00 0.00 C ATOM 476 CG ASP A 31 5.341 3.201 -4.296 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.283 3.326 -5.543 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.321 4.188 -3.522 1.00 0.00 O ATOM 0 H ASP A 31 5.323 0.203 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 31 7.368 1.843 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.601 1.221 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.676 1.895 -2.596 1.00 0.00 H new ATOM 483 N VAL A 32 6.752 -0.810 -2.648 1.00 0.00 N ATOM 484 CA VAL A 32 7.444 -1.747 -1.735 1.00 0.00 C ATOM 485 C VAL A 32 6.654 -2.999 -1.272 1.00 0.00 C ATOM 486 O VAL A 32 6.896 -4.089 -1.790 1.00 0.00 O ATOM 487 CB VAL A 32 7.900 -0.942 -0.501 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.721 -0.177 0.163 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.726 -1.805 0.457 1.00 0.00 C ATOM 0 H VAL A 32 5.740 -0.930 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 32 8.265 -2.166 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 32 8.580 -0.158 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.087 0.376 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.288 0.519 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.960 -0.889 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.031 -1.206 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.125 -2.648 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.611 -2.176 -0.059 1.00 0.00 H new ATOM 499 N THR A 33 5.742 -2.853 -0.300 1.00 0.00 N ATOM 500 CA THR A 33 5.033 -3.906 0.465 1.00 0.00 C ATOM 501 C THR A 33 3.770 -3.304 1.115 1.00 0.00 C ATOM 502 O THR A 33 2.670 -3.710 0.766 1.00 0.00 O ATOM 503 CB THR A 33 5.860 -4.530 1.619 1.00 0.00 C ATOM 504 OG1 THR A 33 6.337 -3.547 2.518 1.00 0.00 O ATOM 505 CG2 THR A 33 7.037 -5.416 1.207 1.00 0.00 C ATOM 0 H THR A 33 5.453 -1.922 0.001 1.00 0.00 H new ATOM 0 HA THR A 33 4.817 -4.688 -0.262 1.00 0.00 H new ATOM 0 HB THR A 33 5.134 -5.186 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.852 -3.979 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.538 -5.794 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.671 -6.254 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.742 -4.832 0.615 1.00 0.00 H new ATOM 513 N TYR A 34 3.839 -2.261 1.968 1.00 0.00 N ATOM 514 CA TYR A 34 2.708 -1.466 2.478 1.00 0.00 C ATOM 515 C TYR A 34 3.241 -0.357 3.430 1.00 0.00 C ATOM 516 O TYR A 34 3.178 0.832 3.147 1.00 0.00 O ATOM 517 CB TYR A 34 1.709 -2.360 3.234 1.00 0.00 C ATOM 518 CG TYR A 34 0.866 -1.640 4.275 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.081 -0.675 3.902 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.089 -1.904 5.635 1.00 0.00 C ATOM 521 CE1 TYR A 34 -0.869 -0.043 4.882 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.304 -1.273 6.618 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.690 -0.355 6.236 1.00 0.00 C ATOM 524 OH TYR A 34 -1.485 0.235 7.175 1.00 0.00 O ATOM 0 H TYR A 34 4.732 -1.936 2.337 1.00 0.00 H new ATOM 0 HA TYR A 34 2.193 -1.011 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.043 -2.829 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.261 -3.161 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.206 -0.416 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.866 -2.594 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.613 0.684 4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.465 -1.493 7.663 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.234 -0.088 8.066 1.00 0.00 H new ATOM 534 N GLU A 35 3.832 -0.844 4.530 1.00 0.00 N ATOM 535 CA GLU A 35 4.317 0.001 5.653 1.00 0.00 C ATOM 536 C GLU A 35 5.419 0.969 5.202 1.00 0.00 C ATOM 537 O GLU A 35 5.470 2.106 5.668 1.00 0.00 O ATOM 538 CB GLU A 35 4.752 -0.741 6.928 1.00 0.00 C ATOM 539 CG GLU A 35 3.610 -0.840 7.948 1.00 0.00 C ATOM 540 CD GLU A 35 4.147 -0.842 9.372 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.392 0.259 9.918 1.00 0.00 O ATOM 542 OE2 GLU A 35 4.302 -1.939 9.953 1.00 0.00 O ATOM 0 H GLU A 35 3.992 -1.841 4.676 1.00 0.00 H new ATOM 0 HA GLU A 35 3.425 0.556 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.094 -1.743 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.598 -0.223 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.926 -0.002 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.037 -1.750 7.771 1.00 0.00 H new ATOM 549 N ARG A 36 6.235 0.564 4.222 1.00 0.00 N ATOM 550 CA ARG A 36 7.179 1.480 3.570 1.00 0.00 C ATOM 551 C ARG A 36 6.487 2.518 2.657 1.00 0.00 C ATOM 552 O ARG A 36 6.847 3.688 2.753 1.00 0.00 O ATOM 553 CB ARG A 36 8.280 0.712 2.815 1.00 0.00 C ATOM 554 CG ARG A 36 9.569 0.461 3.603 1.00 0.00 C ATOM 555 CD ARG A 36 9.455 -0.755 4.527 1.00 0.00 C ATOM 556 NE ARG A 36 10.317 -0.576 5.706 1.00 0.00 N ATOM 557 CZ ARG A 36 9.928 -0.488 6.967 1.00 0.00 C ATOM 558 NH1 ARG A 36 8.704 -0.745 7.343 1.00 0.00 N ATOM 559 NH2 ARG A 36 10.779 -0.130 7.887 1.00 0.00 N ATOM 0 H ARG A 36 6.261 -0.390 3.863 1.00 0.00 H new ATOM 0 HA ARG A 36 7.652 2.048 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.876 -0.249 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.530 1.266 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.395 0.310 2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.808 1.344 4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.420 -0.888 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.743 -1.658 3.990 1.00 0.00 H new ATOM 0 HE ARG A 36 11.320 -0.513 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.007 -1.026 6.653 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.445 -0.665 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.744 0.082 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.480 -0.062 8.860 1.00 0.00 H new ATOM 573 N TYR A 37 5.500 2.198 1.792 1.00 0.00 N ATOM 574 CA TYR A 37 4.878 3.233 0.944 1.00 0.00 C ATOM 575 C TYR A 37 4.045 4.196 1.796 1.00 0.00 C ATOM 576 O TYR A 37 4.186 5.394 1.627 1.00 0.00 O ATOM 577 CB TYR A 37 4.093 2.663 -0.263 1.00 0.00 C ATOM 578 CG TYR A 37 2.630 2.333 -0.038 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.691 3.371 0.110 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.203 0.998 0.056 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.386 3.085 0.524 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.886 0.718 0.465 1.00 0.00 C ATOM 583 CZ TYR A 37 0.009 1.761 0.781 1.00 0.00 C ATOM 584 OH TYR A 37 -1.191 1.475 1.355 1.00 0.00 O ATOM 0 H TYR A 37 5.126 1.257 1.665 1.00 0.00 H new ATOM 0 HA TYR A 37 5.690 3.802 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.156 3.383 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.597 1.757 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.979 4.391 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.881 0.192 -0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.330 3.884 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.551 -0.306 0.535 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.381 0.519 1.256 1.00 0.00 H new ATOM 594 N LEU A 38 3.251 3.702 2.750 1.00 0.00 N ATOM 595 CA LEU A 38 2.583 4.535 3.766 1.00 0.00 C ATOM 596 C LEU A 38 3.554 5.563 4.387 1.00 0.00 C ATOM 597 O LEU A 38 3.241 6.743 4.472 1.00 0.00 O ATOM 598 CB LEU A 38 1.982 3.597 4.832 1.00 0.00 C ATOM 599 CG LEU A 38 1.280 4.292 6.025 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.378 3.285 6.737 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.238 4.838 7.092 1.00 0.00 C ATOM 0 H LEU A 38 3.049 2.707 2.844 1.00 0.00 H new ATOM 0 HA LEU A 38 1.788 5.118 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.262 2.939 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.779 2.964 5.223 1.00 0.00 H new ATOM 0 HG LEU A 38 0.737 5.130 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.118 3.771 7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.372 2.912 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.979 2.453 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.664 5.308 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.829 4.020 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.903 5.575 6.641 1.00 0.00 H new ATOM 613 N GLU A 39 4.755 5.089 4.723 1.00 0.00 N ATOM 614 CA GLU A 39 5.852 5.983 5.161 1.00 0.00 C ATOM 615 C GLU A 39 6.294 7.013 4.112 1.00 0.00 C ATOM 616 O GLU A 39 6.383 8.203 4.426 1.00 0.00 O ATOM 617 CB GLU A 39 7.050 5.263 5.797 1.00 0.00 C ATOM 618 CG GLU A 39 6.794 5.051 7.293 1.00 0.00 C ATOM 619 CD GLU A 39 8.078 4.656 8.011 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.935 5.544 8.224 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.216 3.473 8.395 1.00 0.00 O ATOM 0 H GLU A 39 5.001 4.099 4.704 1.00 0.00 H new ATOM 0 HA GLU A 39 5.386 6.554 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.211 4.303 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.957 5.850 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.394 5.965 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.041 4.275 7.431 1.00 0.00 H new ATOM 628 N ILE A 40 6.502 6.621 2.858 1.00 0.00 N ATOM 629 CA ILE A 40 6.992 7.512 1.793 1.00 0.00 C ATOM 630 C ILE A 40 5.923 8.541 1.362 1.00 0.00 C ATOM 631 O ILE A 40 6.193 9.735 1.369 1.00 0.00 O ATOM 632 CB ILE A 40 7.512 6.646 0.613 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.767 5.839 1.039 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.831 7.497 -0.632 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.031 4.618 0.144 1.00 0.00 C ATOM 0 H ILE A 40 6.335 5.666 2.542 1.00 0.00 H new ATOM 0 HA ILE A 40 7.821 8.109 2.172 1.00 0.00 H new ATOM 0 HB ILE A 40 6.713 5.954 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.638 6.494 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.645 5.507 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.191 6.850 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.929 8.013 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.599 8.230 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.922 4.096 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.175 3.944 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.183 4.947 -0.884 1.00 0.00 H new ATOM 647 N LEU A 41 4.700 8.106 1.047 1.00 0.00 N ATOM 648 CA LEU A 41 3.525 8.897 0.642 1.00 0.00 C ATOM 649 C LEU A 41 3.091 9.898 1.748 1.00 0.00 C ATOM 650 O LEU A 41 3.045 11.098 1.508 1.00 0.00 O ATOM 651 CB LEU A 41 2.388 7.908 0.258 1.00 0.00 C ATOM 652 CG LEU A 41 2.435 7.279 -1.161 1.00 0.00 C ATOM 653 CD1 LEU A 41 1.889 8.255 -2.200 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.828 6.837 -1.614 1.00 0.00 C ATOM 0 H LEU A 41 4.484 7.109 1.069 1.00 0.00 H new ATOM 0 HA LEU A 41 3.774 9.514 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.388 7.097 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.437 8.431 0.363 1.00 0.00 H new ATOM 0 HG LEU A 41 1.816 6.385 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.930 7.796 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.856 8.503 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.491 9.164 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.767 6.410 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.496 7.698 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.215 6.088 -0.923 1.00 0.00 H new ATOM 666 N LYS A 42 2.820 9.405 2.961 1.00 0.00 N ATOM 667 CA LYS A 42 2.536 10.248 4.154 1.00 0.00 C ATOM 668 C LYS A 42 3.655 11.290 4.471 1.00 0.00 C ATOM 669 O LYS A 42 3.384 12.336 5.067 1.00 0.00 O ATOM 670 CB LYS A 42 2.275 9.354 5.374 1.00 0.00 C ATOM 671 CG LYS A 42 1.547 10.018 6.552 1.00 0.00 C ATOM 672 CD LYS A 42 1.733 9.183 7.832 1.00 0.00 C ATOM 673 CE LYS A 42 0.514 9.289 8.756 1.00 0.00 C ATOM 674 NZ LYS A 42 0.780 8.712 10.091 1.00 0.00 N ATOM 0 H LYS A 42 2.788 8.404 3.156 1.00 0.00 H new ATOM 0 HA LYS A 42 1.645 10.830 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.690 8.493 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.232 8.973 5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.934 11.025 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.486 10.116 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.899 8.139 7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.623 9.522 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.230 10.336 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.332 8.775 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.069 8.804 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.026 7.706 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.571 9.219 10.537 1.00 0.00 H new ATOM 688 N SER A 43 4.896 11.011 4.045 1.00 0.00 N ATOM 689 CA SER A 43 5.978 12.022 4.075 1.00 0.00 C ATOM 690 C SER A 43 5.887 13.047 2.909 1.00 0.00 C ATOM 691 O SER A 43 6.044 14.256 3.106 1.00 0.00 O ATOM 692 CB SER A 43 7.360 11.357 4.118 1.00 0.00 C ATOM 693 OG SER A 43 8.323 12.228 4.696 1.00 0.00 O ATOM 0 H SER A 43 5.180 10.103 3.677 1.00 0.00 H new ATOM 0 HA SER A 43 5.839 12.589 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.306 10.434 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.669 11.085 3.109 1.00 0.00 H new ATOM 0 HG SER A 43 9.196 11.784 4.715 1.00 0.00 H new ATOM 699 N LYS A 44 5.612 12.557 1.698 1.00 0.00 N ATOM 700 CA LYS A 44 5.264 13.301 0.476 1.00 0.00 C ATOM 701 C LYS A 44 3.907 14.056 0.562 1.00 0.00 C ATOM 702 O LYS A 44 3.259 14.126 1.611 1.00 0.00 O ATOM 703 CB LYS A 44 5.282 12.302 -0.716 1.00 0.00 C ATOM 704 CG LYS A 44 6.518 12.422 -1.629 1.00 0.00 C ATOM 705 CD LYS A 44 7.323 11.113 -1.711 1.00 0.00 C ATOM 706 CE LYS A 44 8.412 11.191 -2.792 1.00 0.00 C ATOM 707 NZ LYS A 44 7.886 10.925 -4.148 1.00 0.00 N ATOM 0 H LYS A 44 5.627 11.551 1.529 1.00 0.00 H new ATOM 0 HA LYS A 44 6.006 14.087 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.233 11.286 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.385 12.456 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.199 12.711 -2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.163 13.218 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.782 10.905 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.650 10.284 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.869 12.180 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.198 10.471 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.660 10.990 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.473 9.971 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.155 11.627 -4.380 1.00 0.00 H new ATOM 721 N GLN A 45 3.472 14.647 -0.560 1.00 0.00 N ATOM 722 CA GLN A 45 2.122 15.212 -0.729 1.00 0.00 C ATOM 723 C GLN A 45 1.012 14.195 -0.396 1.00 0.00 C ATOM 724 O GLN A 45 0.918 13.126 -1.004 1.00 0.00 O ATOM 725 CB GLN A 45 1.941 15.735 -2.167 1.00 0.00 C ATOM 726 CG GLN A 45 2.647 17.079 -2.396 1.00 0.00 C ATOM 727 CD GLN A 45 2.002 18.202 -1.607 1.00 0.00 C ATOM 728 OE1 GLN A 45 0.815 18.478 -1.732 1.00 0.00 O ATOM 729 NE2 GLN A 45 2.750 18.879 -0.759 1.00 0.00 N ATOM 0 H GLN A 45 4.056 14.748 -1.390 1.00 0.00 H new ATOM 0 HA GLN A 45 2.029 16.037 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.331 14.999 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.878 15.846 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.695 16.991 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.625 17.323 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.738 18.649 -0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.341 19.633 -0.207 1.00 0.00 H new ATOM 738 N LYS A 46 0.151 14.570 0.551 1.00 0.00 N ATOM 739 CA LYS A 46 -1.028 13.820 1.008 1.00 0.00 C ATOM 740 C LYS A 46 -2.353 14.520 0.610 1.00 0.00 C ATOM 741 O LYS A 46 -2.338 15.620 0.039 1.00 0.00 O ATOM 742 CB LYS A 46 -0.931 13.602 2.533 1.00 0.00 C ATOM 743 CG LYS A 46 -0.875 14.917 3.341 1.00 0.00 C ATOM 744 CD LYS A 46 -1.494 14.760 4.740 1.00 0.00 C ATOM 745 CE LYS A 46 -1.624 16.100 5.479 1.00 0.00 C ATOM 746 NZ LYS A 46 -0.320 16.652 5.910 1.00 0.00 N ATOM 0 H LYS A 46 0.260 15.453 1.049 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.040 12.850 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.790 13.018 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.041 13.012 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.162 15.239 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.403 15.700 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.479 14.302 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.880 14.081 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.120 16.820 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.262 15.966 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.471 17.556 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.146 15.981 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.283 16.808 5.077 1.00 0.00 H new ATOM 760 N GLU A 47 -3.499 13.893 0.915 1.00 0.00 N ATOM 761 CA GLU A 47 -4.847 14.496 0.803 1.00 0.00 C ATOM 762 C GLU A 47 -5.048 15.734 1.696 1.00 0.00 C ATOM 763 O GLU A 47 -4.422 15.824 2.775 1.00 0.00 O ATOM 764 CB GLU A 47 -5.956 13.458 1.047 1.00 0.00 C ATOM 765 CG GLU A 47 -5.924 12.769 2.418 1.00 0.00 C ATOM 766 CD GLU A 47 -7.273 12.872 3.118 1.00 0.00 C ATOM 767 OE1 GLU A 47 -7.530 13.902 3.783 1.00 0.00 O ATOM 768 OE2 GLU A 47 -8.072 11.914 3.014 1.00 0.00 O ATOM 769 OXT GLU A 47 -5.824 16.622 1.283 1.00 0.00 O ATOM 0 H GLU A 47 -3.521 12.931 1.254 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.921 14.847 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.922 13.949 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.890 12.693 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.655 11.720 2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.153 13.225 3.039 1.00 0.00 H new TER 776 GLU A 47