USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.2!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 179:sc= 0 (180deg=-8.32e-05) USER MOD Set 2.1: A 12 THR OG1 : rot 162:sc= 0.206 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.363 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0897 USER MOD Single : A 26 ASN : amide:sc= 0.101 K(o=0.1,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.474 K(o=-0.47,f=-3.7!) USER MOD Single : A 37 SER OG : rot -41:sc=0.000426 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.264) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= -0.597 (180deg=-1.1) USER MOD Single : A 49 SER OG : rot 44:sc= -2.55! USER MOD Single : A 50 THR OG1 : rot -78:sc= 0.371 USER MOD Single : A 57 THR OG1 : rot 160:sc= -2.51! USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0869) USER MOD Single : A 64 SER OG : rot 160:sc= -4.97! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 11.096 8.900 -6.218 1.00 0.00 N ATOM 57 CA VAL A 5 9.622 8.983 -6.431 1.00 0.00 C ATOM 58 C VAL A 5 9.213 7.935 -7.468 1.00 0.00 C ATOM 59 O VAL A 5 9.951 7.647 -8.389 1.00 0.00 O ATOM 60 CB VAL A 5 9.267 10.381 -6.937 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.803 10.683 -6.624 1.00 0.00 C ATOM 62 CG2 VAL A 5 10.156 11.410 -6.237 1.00 0.00 C ATOM 0 HA VAL A 5 9.094 8.795 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 5 9.424 10.429 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.552 11.680 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.167 9.948 -7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.644 10.637 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.907 12.409 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.994 11.359 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.202 11.196 -6.457 1.00 0.00 H new ATOM 72 N SER A 6 8.056 7.343 -7.325 1.00 0.00 N ATOM 73 CA SER A 6 7.644 6.302 -8.311 1.00 0.00 C ATOM 74 C SER A 6 6.580 6.835 -9.266 1.00 0.00 C ATOM 75 O SER A 6 5.462 7.116 -8.880 1.00 0.00 O ATOM 76 CB SER A 6 7.074 5.082 -7.583 1.00 0.00 C ATOM 77 OG SER A 6 7.990 4.656 -6.584 1.00 0.00 O ATOM 0 H SER A 6 7.387 7.532 -6.579 1.00 0.00 H new ATOM 0 HA SER A 6 8.530 6.023 -8.881 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.115 5.331 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.891 4.275 -8.292 1.00 0.00 H new ATOM 0 HG SER A 6 7.625 3.876 -6.116 1.00 0.00 H new ATOM 83 N LYS A 7 6.908 6.918 -10.523 1.00 0.00 N ATOM 84 CA LYS A 7 5.913 7.365 -11.531 1.00 0.00 C ATOM 85 C LYS A 7 5.341 6.098 -12.159 1.00 0.00 C ATOM 86 O LYS A 7 5.997 5.433 -12.937 1.00 0.00 O ATOM 87 CB LYS A 7 6.605 8.213 -12.601 1.00 0.00 C ATOM 88 CG LYS A 7 5.551 8.913 -13.461 1.00 0.00 C ATOM 89 CD LYS A 7 5.996 8.896 -14.924 1.00 0.00 C ATOM 90 CE LYS A 7 4.768 8.995 -15.832 1.00 0.00 C ATOM 91 NZ LYS A 7 4.544 10.419 -16.209 1.00 0.00 N ATOM 0 H LYS A 7 7.830 6.693 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 7 5.129 7.971 -11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.254 8.951 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.239 7.583 -13.225 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.589 8.412 -13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.414 9.940 -13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.674 9.727 -15.119 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.546 7.980 -15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.914 8.389 -16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.890 8.601 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.710 10.488 -16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.387 10.985 -15.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.379 10.780 -16.714 1.00 0.00 H new ATOM 105 N LEU A 8 4.153 5.711 -11.796 1.00 0.00 N ATOM 106 CA LEU A 8 3.622 4.444 -12.358 1.00 0.00 C ATOM 107 C LEU A 8 2.473 4.671 -13.325 1.00 0.00 C ATOM 108 O LEU A 8 1.666 5.569 -13.180 1.00 0.00 O ATOM 109 CB LEU A 8 3.088 3.550 -11.241 1.00 0.00 C ATOM 110 CG LEU A 8 3.972 3.626 -10.007 1.00 0.00 C ATOM 111 CD1 LEU A 8 3.371 2.718 -8.936 1.00 0.00 C ATOM 112 CD2 LEU A 8 5.386 3.154 -10.355 1.00 0.00 C ATOM 0 H LEU A 8 3.539 6.205 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 8 4.455 3.979 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.073 3.852 -10.984 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.035 2.519 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 8 4.027 4.652 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.989 2.755 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.363 3.056 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.332 1.694 -9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.017 3.210 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.349 2.124 -10.709 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.801 3.792 -11.136 1.00 0.00 H new ATOM 124 N ARG A 9 2.363 3.780 -14.266 1.00 0.00 N ATOM 125 CA ARG A 9 1.237 3.813 -15.221 1.00 0.00 C ATOM 126 C ARG A 9 0.475 2.516 -14.978 1.00 0.00 C ATOM 127 O ARG A 9 0.918 1.447 -15.346 1.00 0.00 O ATOM 128 CB ARG A 9 1.760 3.857 -16.657 1.00 0.00 C ATOM 129 CG ARG A 9 2.321 5.250 -16.952 1.00 0.00 C ATOM 130 CD ARG A 9 2.963 5.259 -18.339 1.00 0.00 C ATOM 131 NE ARG A 9 4.331 4.672 -18.256 1.00 0.00 N ATOM 132 CZ ARG A 9 5.130 4.732 -19.286 1.00 0.00 C ATOM 133 NH1 ARG A 9 4.646 4.964 -20.476 1.00 0.00 N ATOM 134 NH2 ARG A 9 6.414 4.561 -19.125 1.00 0.00 N ATOM 0 H ARG A 9 3.023 3.016 -14.412 1.00 0.00 H new ATOM 0 HA ARG A 9 0.608 4.692 -15.082 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.535 3.104 -16.796 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.957 3.621 -17.355 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.524 5.992 -16.904 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.058 5.524 -16.197 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.352 4.688 -19.038 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.015 6.279 -18.721 1.00 0.00 H new ATOM 0 HE ARG A 9 4.642 4.224 -17.394 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.643 5.099 -20.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.271 5.011 -21.281 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.792 4.381 -18.195 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.040 4.608 -19.929 1.00 0.00 H new ATOM 148 N ILE A 10 -0.636 2.589 -14.314 1.00 0.00 N ATOM 149 CA ILE A 10 -1.379 1.343 -14.003 1.00 0.00 C ATOM 150 C ILE A 10 -2.537 1.181 -14.991 1.00 0.00 C ATOM 151 O ILE A 10 -3.408 2.006 -15.074 1.00 0.00 O ATOM 152 CB ILE A 10 -1.892 1.426 -12.558 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.829 2.094 -11.660 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.175 0.019 -12.028 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.519 2.777 -10.485 1.00 0.00 C ATOM 0 H ILE A 10 -1.062 3.451 -13.974 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.728 0.474 -14.098 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.808 2.017 -12.544 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.122 1.348 -11.298 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.257 2.823 -12.234 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.539 0.083 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.930 -0.460 -12.652 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.258 -0.570 -12.052 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.771 3.250 -9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.209 3.534 -10.858 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.071 2.036 -9.907 1.00 0.00 H new ATOM 167 N ARG A 11 -2.537 0.131 -15.759 1.00 0.00 N ATOM 168 CA ARG A 11 -3.627 -0.062 -16.753 1.00 0.00 C ATOM 169 C ARG A 11 -4.678 -1.031 -16.191 1.00 0.00 C ATOM 170 O ARG A 11 -4.396 -1.844 -15.333 1.00 0.00 O ATOM 171 CB ARG A 11 -3.012 -0.605 -18.058 1.00 0.00 C ATOM 172 CG ARG A 11 -3.926 -1.649 -18.710 1.00 0.00 C ATOM 173 CD ARG A 11 -3.750 -2.986 -17.991 1.00 0.00 C ATOM 174 NE ARG A 11 -3.019 -3.934 -18.877 1.00 0.00 N ATOM 175 CZ ARG A 11 -3.639 -4.507 -19.873 1.00 0.00 C ATOM 176 NH1 ARG A 11 -4.763 -5.139 -19.666 1.00 0.00 N ATOM 177 NH2 ARG A 11 -3.138 -4.448 -21.076 1.00 0.00 N ATOM 0 H ARG A 11 -1.829 -0.603 -15.742 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.124 0.886 -16.961 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.842 0.218 -18.753 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.040 -1.050 -17.847 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.966 -1.326 -18.654 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.682 -1.755 -19.767 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.199 -2.842 -17.062 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.723 -3.398 -17.724 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.034 -4.136 -18.706 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.157 -5.185 -18.726 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.247 -5.587 -20.444 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.261 -3.954 -21.239 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.623 -4.896 -21.853 1.00 0.00 H new ATOM 191 N THR A 12 -5.887 -0.943 -16.678 1.00 0.00 N ATOM 192 CA THR A 12 -6.968 -1.847 -16.189 1.00 0.00 C ATOM 193 C THR A 12 -7.300 -2.867 -17.283 1.00 0.00 C ATOM 194 O THR A 12 -6.695 -2.857 -18.337 1.00 0.00 O ATOM 195 CB THR A 12 -8.223 -1.027 -15.859 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.165 -1.156 -16.915 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.860 0.450 -15.681 1.00 0.00 C ATOM 0 H THR A 12 -6.174 -0.280 -17.398 1.00 0.00 H new ATOM 0 HA THR A 12 -6.631 -2.363 -15.290 1.00 0.00 H new ATOM 0 HB THR A 12 -8.655 -1.401 -14.931 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.052 -0.887 -16.597 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.759 1.020 -15.447 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.143 0.553 -14.866 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.419 0.830 -16.603 1.00 0.00 H new ATOM 205 N PRO A 13 -8.255 -3.720 -17.002 1.00 0.00 N ATOM 206 CA PRO A 13 -8.689 -4.759 -17.951 1.00 0.00 C ATOM 207 C PRO A 13 -9.632 -4.163 -19.001 1.00 0.00 C ATOM 208 O PRO A 13 -9.830 -4.726 -20.061 1.00 0.00 O ATOM 209 CB PRO A 13 -9.425 -5.767 -17.065 1.00 0.00 C ATOM 210 CG PRO A 13 -9.865 -4.997 -15.797 1.00 0.00 C ATOM 211 CD PRO A 13 -8.986 -3.733 -15.718 1.00 0.00 C ATOM 0 HA PRO A 13 -7.864 -5.208 -18.504 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.288 -6.183 -17.585 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.775 -6.603 -16.806 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.921 -4.731 -15.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.738 -5.613 -14.907 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.591 -2.834 -15.595 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.302 -3.776 -14.870 1.00 0.00 H new ATOM 219 N SER A 14 -10.216 -3.031 -18.715 1.00 0.00 N ATOM 220 CA SER A 14 -11.147 -2.405 -19.697 1.00 0.00 C ATOM 221 C SER A 14 -10.360 -1.492 -20.641 1.00 0.00 C ATOM 222 O SER A 14 -10.919 -0.860 -21.517 1.00 0.00 O ATOM 223 CB SER A 14 -12.197 -1.582 -18.952 1.00 0.00 C ATOM 224 OG SER A 14 -11.578 -0.895 -17.872 1.00 0.00 O ATOM 0 H SER A 14 -10.089 -2.513 -17.845 1.00 0.00 H new ATOM 0 HA SER A 14 -11.640 -3.186 -20.276 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.665 -0.869 -19.631 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.988 -2.233 -18.578 1.00 0.00 H new ATOM 0 HG SER A 14 -12.249 -0.365 -17.393 1.00 0.00 H new ATOM 230 N GLY A 15 -9.068 -1.415 -20.472 1.00 0.00 N ATOM 231 CA GLY A 15 -8.251 -0.542 -21.363 1.00 0.00 C ATOM 232 C GLY A 15 -8.098 0.842 -20.729 1.00 0.00 C ATOM 233 O GLY A 15 -7.737 1.799 -21.387 1.00 0.00 O ATOM 0 H GLY A 15 -8.543 -1.918 -19.757 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.270 -0.989 -21.526 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.728 -0.455 -22.339 1.00 0.00 H new ATOM 237 N GLU A 16 -8.365 0.959 -19.457 1.00 0.00 N ATOM 238 CA GLU A 16 -8.229 2.282 -18.785 1.00 0.00 C ATOM 239 C GLU A 16 -6.791 2.452 -18.291 1.00 0.00 C ATOM 240 O GLU A 16 -6.018 1.516 -18.274 1.00 0.00 O ATOM 241 CB GLU A 16 -9.190 2.352 -17.596 1.00 0.00 C ATOM 242 CG GLU A 16 -10.250 3.422 -17.860 1.00 0.00 C ATOM 243 CD GLU A 16 -10.948 3.786 -16.548 1.00 0.00 C ATOM 244 OE1 GLU A 16 -10.277 4.289 -15.663 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.142 3.555 -16.451 1.00 0.00 O ATOM 0 H GLU A 16 -8.671 0.195 -18.854 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.469 3.077 -19.491 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.666 1.384 -17.442 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.641 2.586 -16.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.787 4.308 -18.295 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.979 3.056 -18.582 1.00 0.00 H new ATOM 252 N PHE A 17 -6.424 3.639 -17.889 1.00 0.00 N ATOM 253 CA PHE A 17 -5.034 3.854 -17.400 1.00 0.00 C ATOM 254 C PHE A 17 -5.042 4.821 -16.211 1.00 0.00 C ATOM 255 O PHE A 17 -5.506 5.939 -16.309 1.00 0.00 O ATOM 256 CB PHE A 17 -4.189 4.461 -18.526 1.00 0.00 C ATOM 257 CG PHE A 17 -3.350 3.388 -19.184 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.085 3.068 -18.669 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.831 2.723 -20.318 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.306 2.083 -19.289 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.053 1.737 -20.936 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.790 1.418 -20.422 1.00 0.00 C ATOM 0 H PHE A 17 -7.024 4.464 -17.878 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.614 2.897 -17.089 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.838 4.930 -19.265 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.544 5.243 -18.126 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.712 3.581 -17.795 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.804 2.971 -20.717 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.332 1.836 -18.893 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.427 1.222 -21.809 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.189 0.659 -20.900 1.00 0.00 H new ATOM 272 N LEU A 18 -4.504 4.404 -15.098 1.00 0.00 N ATOM 273 CA LEU A 18 -4.444 5.296 -13.913 1.00 0.00 C ATOM 274 C LEU A 18 -3.018 5.818 -13.795 1.00 0.00 C ATOM 275 O LEU A 18 -2.101 5.091 -13.454 1.00 0.00 O ATOM 276 CB LEU A 18 -4.794 4.543 -12.625 1.00 0.00 C ATOM 277 CG LEU A 18 -6.073 3.729 -12.804 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.170 4.589 -13.433 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.779 2.539 -13.705 1.00 0.00 C ATOM 0 H LEU A 18 -4.102 3.477 -14.961 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.164 6.104 -14.042 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.972 3.882 -12.350 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.920 5.252 -11.807 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.418 3.384 -11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.075 3.993 -13.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.380 5.441 -12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.838 4.946 -14.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.687 1.951 -13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.430 2.894 -14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.009 1.918 -13.248 1.00 0.00 H new ATOM 291 N GLU A 19 -2.827 7.065 -14.077 1.00 0.00 N ATOM 292 CA GLU A 19 -1.458 7.648 -13.982 1.00 0.00 C ATOM 293 C GLU A 19 -1.213 8.078 -12.539 1.00 0.00 C ATOM 294 O GLU A 19 -1.993 8.811 -11.965 1.00 0.00 O ATOM 295 CB GLU A 19 -1.346 8.860 -14.910 1.00 0.00 C ATOM 296 CG GLU A 19 0.122 9.260 -15.055 1.00 0.00 C ATOM 297 CD GLU A 19 0.218 10.594 -15.798 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.111 10.582 -17.012 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.398 11.605 -15.138 1.00 0.00 O ATOM 0 H GLU A 19 -3.557 7.714 -14.371 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.716 6.908 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.767 8.623 -15.887 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.923 9.693 -14.508 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.585 9.345 -14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.668 8.489 -15.599 1.00 0.00 H new ATOM 306 N ARG A 20 -0.155 7.613 -11.931 1.00 0.00 N ATOM 307 CA ARG A 20 0.085 7.996 -10.513 1.00 0.00 C ATOM 308 C ARG A 20 1.555 8.311 -10.255 1.00 0.00 C ATOM 309 O ARG A 20 2.449 7.683 -10.786 1.00 0.00 O ATOM 310 CB ARG A 20 -0.322 6.835 -9.609 1.00 0.00 C ATOM 311 CG ARG A 20 -0.839 7.377 -8.274 1.00 0.00 C ATOM 312 CD ARG A 20 -1.987 8.359 -8.525 1.00 0.00 C ATOM 313 NE ARG A 20 -1.501 9.756 -8.339 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.049 10.521 -7.434 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.349 10.586 -7.334 1.00 0.00 N ATOM 316 NH2 ARG A 20 -1.297 11.222 -6.631 1.00 0.00 N ATOM 0 H ARG A 20 0.542 6.995 -12.347 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.504 8.888 -10.302 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.094 6.238 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.530 6.177 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.182 6.555 -7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.033 7.875 -7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.375 8.230 -9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.810 8.155 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.741 10.114 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.937 10.039 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.777 11.184 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.281 11.172 -6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.725 11.820 -5.924 1.00 0.00 H new ATOM 330 N ARG A 21 1.795 9.253 -9.390 1.00 0.00 N ATOM 331 CA ARG A 21 3.186 9.605 -9.011 1.00 0.00 C ATOM 332 C ARG A 21 3.249 9.530 -7.488 1.00 0.00 C ATOM 333 O ARG A 21 2.519 10.216 -6.800 1.00 0.00 O ATOM 334 CB ARG A 21 3.514 11.025 -9.479 1.00 0.00 C ATOM 335 CG ARG A 21 4.963 11.360 -9.117 1.00 0.00 C ATOM 336 CD ARG A 21 4.994 12.619 -8.249 1.00 0.00 C ATOM 337 NE ARG A 21 4.992 13.825 -9.124 1.00 0.00 N ATOM 338 CZ ARG A 21 5.578 14.921 -8.726 1.00 0.00 C ATOM 339 NH1 ARG A 21 4.882 16.013 -8.564 1.00 0.00 N ATOM 340 NH2 ARG A 21 6.862 14.926 -8.491 1.00 0.00 N ATOM 0 H ARG A 21 1.073 9.802 -8.923 1.00 0.00 H new ATOM 0 HA ARG A 21 3.905 8.928 -9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.369 11.107 -10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.837 11.739 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.418 10.526 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.549 11.516 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.130 12.637 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.882 12.616 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 21 4.533 13.794 -10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.879 16.010 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.341 16.869 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.407 14.073 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.320 15.783 -8.180 1.00 0.00 H new ATOM 354 N PHE A 22 4.076 8.684 -6.946 1.00 0.00 N ATOM 355 CA PHE A 22 4.118 8.566 -5.464 1.00 0.00 C ATOM 356 C PHE A 22 5.479 8.954 -4.916 1.00 0.00 C ATOM 357 O PHE A 22 6.497 8.774 -5.551 1.00 0.00 O ATOM 358 CB PHE A 22 3.895 7.119 -5.043 1.00 0.00 C ATOM 359 CG PHE A 22 2.738 6.495 -5.773 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.436 6.701 -5.315 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.972 5.677 -6.888 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.365 6.097 -5.974 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.896 5.071 -7.541 1.00 0.00 C ATOM 364 CZ PHE A 22 0.598 5.283 -7.084 1.00 0.00 C ATOM 0 H PHE A 22 4.717 8.076 -7.456 1.00 0.00 H new ATOM 0 HA PHE A 22 3.342 9.227 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.799 6.542 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.712 7.077 -3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.258 7.326 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.980 5.516 -7.240 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.644 6.259 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.071 4.439 -8.399 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.233 4.815 -7.591 1.00 0.00 H new ATOM 374 N LEU A 23 5.503 9.407 -3.697 1.00 0.00 N ATOM 375 CA LEU A 23 6.796 9.723 -3.053 1.00 0.00 C ATOM 376 C LEU A 23 7.343 8.398 -2.532 1.00 0.00 C ATOM 377 O LEU A 23 6.619 7.615 -1.958 1.00 0.00 O ATOM 378 CB LEU A 23 6.578 10.693 -1.890 1.00 0.00 C ATOM 379 CG LEU A 23 5.776 11.901 -2.375 1.00 0.00 C ATOM 380 CD1 LEU A 23 5.480 12.825 -1.193 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.587 12.662 -3.425 1.00 0.00 C ATOM 0 H LEU A 23 4.678 9.571 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 23 7.487 10.194 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.047 10.193 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.538 11.018 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 23 4.838 11.562 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.908 13.686 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.903 12.283 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.418 13.165 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.016 13.523 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.525 13.001 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.799 12.004 -4.268 1.00 0.00 H new ATOM 393 N ALA A 24 8.589 8.117 -2.748 1.00 0.00 N ATOM 394 CA ALA A 24 9.141 6.813 -2.275 1.00 0.00 C ATOM 395 C ALA A 24 8.631 6.488 -0.861 1.00 0.00 C ATOM 396 O ALA A 24 8.585 5.339 -0.462 1.00 0.00 O ATOM 397 CB ALA A 24 10.668 6.884 -2.273 1.00 0.00 C ATOM 0 H ALA A 24 9.252 8.725 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 24 8.809 6.023 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.076 5.934 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.024 7.087 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.994 7.682 -1.606 1.00 0.00 H new ATOM 403 N SER A 25 8.252 7.480 -0.098 1.00 0.00 N ATOM 404 CA SER A 25 7.756 7.209 1.285 1.00 0.00 C ATOM 405 C SER A 25 6.231 7.023 1.278 1.00 0.00 C ATOM 406 O SER A 25 5.617 6.854 2.312 1.00 0.00 O ATOM 407 CB SER A 25 8.116 8.386 2.192 1.00 0.00 C ATOM 408 OG SER A 25 8.220 9.567 1.408 1.00 0.00 O ATOM 0 H SER A 25 8.264 8.463 -0.371 1.00 0.00 H new ATOM 0 HA SER A 25 8.223 6.297 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.355 8.513 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.058 8.191 2.704 1.00 0.00 H new ATOM 0 HG SER A 25 8.449 10.324 1.986 1.00 0.00 H new ATOM 414 N ASN A 26 5.615 7.056 0.127 1.00 0.00 N ATOM 415 CA ASN A 26 4.133 6.885 0.069 1.00 0.00 C ATOM 416 C ASN A 26 3.754 5.499 0.597 1.00 0.00 C ATOM 417 O ASN A 26 4.551 4.821 1.215 1.00 0.00 O ATOM 418 CB ASN A 26 3.655 7.027 -1.376 1.00 0.00 C ATOM 419 CG ASN A 26 2.831 8.308 -1.518 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.100 9.127 -2.373 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.829 8.517 -0.706 1.00 0.00 N ATOM 0 H ASN A 26 6.072 7.194 -0.774 1.00 0.00 H new ATOM 0 HA ASN A 26 3.659 7.650 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.510 7.055 -2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.054 6.162 -1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.273 9.368 -0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.603 7.829 0.012 1.00 0.00 H new ATOM 428 N LYS A 27 2.538 5.075 0.367 1.00 0.00 N ATOM 429 CA LYS A 27 2.115 3.737 0.871 1.00 0.00 C ATOM 430 C LYS A 27 1.303 2.993 -0.196 1.00 0.00 C ATOM 431 O LYS A 27 0.471 3.563 -0.890 1.00 0.00 O ATOM 432 CB LYS A 27 1.255 3.911 2.126 1.00 0.00 C ATOM 433 CG LYS A 27 1.684 5.174 2.878 1.00 0.00 C ATOM 434 CD LYS A 27 0.867 6.366 2.380 1.00 0.00 C ATOM 435 CE LYS A 27 0.477 7.252 3.565 1.00 0.00 C ATOM 436 NZ LYS A 27 -0.728 6.685 4.233 1.00 0.00 N ATOM 0 H LYS A 27 1.825 5.594 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 27 3.007 3.156 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.203 3.981 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.358 3.039 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.536 5.040 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.747 5.358 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.447 6.941 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.027 6.017 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.303 7.315 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.273 8.267 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.994 7.287 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.515 6.647 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.517 5.725 4.573 1.00 0.00 H new ATOM 450 N LEU A 28 1.526 1.714 -0.323 1.00 0.00 N ATOM 451 CA LEU A 28 0.761 0.928 -1.325 1.00 0.00 C ATOM 452 C LEU A 28 -0.729 1.132 -1.063 1.00 0.00 C ATOM 453 O LEU A 28 -1.515 1.299 -1.975 1.00 0.00 O ATOM 454 CB LEU A 28 1.100 -0.554 -1.189 1.00 0.00 C ATOM 455 CG LEU A 28 1.489 -1.132 -2.548 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.555 -0.284 -3.225 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.016 -2.547 -2.349 1.00 0.00 C ATOM 0 H LEU A 28 2.204 1.182 0.223 1.00 0.00 H new ATOM 0 HA LEU A 28 1.018 1.260 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.920 -0.684 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.244 -1.095 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 28 0.607 -1.140 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.810 -0.722 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.175 0.727 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.445 -0.248 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.297 -2.970 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.888 -2.522 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.240 -3.164 -1.895 1.00 0.00 H new ATOM 469 N GLN A 29 -1.125 1.122 0.183 1.00 0.00 N ATOM 470 CA GLN A 29 -2.560 1.318 0.508 1.00 0.00 C ATOM 471 C GLN A 29 -3.059 2.571 -0.204 1.00 0.00 C ATOM 472 O GLN A 29 -4.156 2.601 -0.727 1.00 0.00 O ATOM 473 CB GLN A 29 -2.723 1.496 2.018 1.00 0.00 C ATOM 474 CG GLN A 29 -3.634 0.397 2.568 1.00 0.00 C ATOM 475 CD GLN A 29 -4.912 1.027 3.125 1.00 0.00 C ATOM 476 OE1 GLN A 29 -5.008 2.233 3.240 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.904 0.257 3.480 1.00 0.00 N ATOM 0 H GLN A 29 -0.512 0.986 0.987 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.134 0.450 0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.750 1.454 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.147 2.476 2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.880 -0.315 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.119 -0.160 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.824 -0.755 3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.760 0.667 3.854 1.00 0.00 H new ATOM 486 N ILE A 30 -2.264 3.607 -0.243 1.00 0.00 N ATOM 487 CA ILE A 30 -2.720 4.836 -0.939 1.00 0.00 C ATOM 488 C ILE A 30 -2.791 4.545 -2.428 1.00 0.00 C ATOM 489 O ILE A 30 -3.736 4.901 -3.096 1.00 0.00 O ATOM 490 CB ILE A 30 -1.742 5.990 -0.676 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.564 7.270 -0.509 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.747 6.154 -1.844 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.674 8.502 -0.702 1.00 0.00 C ATOM 0 H ILE A 30 -1.333 3.653 0.171 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.702 5.129 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.161 5.780 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.379 7.284 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.018 7.292 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.067 6.979 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.175 5.234 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.295 6.365 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.272 9.405 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.875 8.493 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.241 8.485 -1.702 1.00 0.00 H new ATOM 505 N VAL A 31 -1.799 3.892 -2.951 1.00 0.00 N ATOM 506 CA VAL A 31 -1.839 3.579 -4.405 1.00 0.00 C ATOM 507 C VAL A 31 -3.146 2.859 -4.691 1.00 0.00 C ATOM 508 O VAL A 31 -3.910 3.230 -5.563 1.00 0.00 O ATOM 509 CB VAL A 31 -0.677 2.671 -4.800 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.442 2.802 -6.304 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.580 3.094 -4.045 1.00 0.00 C ATOM 0 H VAL A 31 -0.974 3.565 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.761 4.504 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.911 1.636 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.386 2.158 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.343 2.504 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.201 3.837 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.409 2.446 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.825 4.126 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.405 3.013 -2.972 1.00 0.00 H new ATOM 521 N PHE A 32 -3.396 1.825 -3.951 1.00 0.00 N ATOM 522 CA PHE A 32 -4.645 1.040 -4.143 1.00 0.00 C ATOM 523 C PHE A 32 -5.867 1.954 -4.024 1.00 0.00 C ATOM 524 O PHE A 32 -6.811 1.839 -4.780 1.00 0.00 O ATOM 525 CB PHE A 32 -4.720 -0.039 -3.064 1.00 0.00 C ATOM 526 CG PHE A 32 -3.468 -0.896 -3.096 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.507 -0.712 -4.104 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.264 -1.873 -2.112 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.356 -1.502 -4.122 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.106 -2.663 -2.137 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.160 -2.478 -3.139 1.00 0.00 C ATOM 0 H PHE A 32 -2.783 1.483 -3.211 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.636 0.586 -5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.829 0.424 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.601 -0.662 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.658 0.040 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.999 -2.017 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.616 -1.360 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.949 -3.415 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.270 -3.090 -3.159 1.00 0.00 H new ATOM 541 N ASP A 33 -5.867 2.853 -3.077 1.00 0.00 N ATOM 542 CA ASP A 33 -7.044 3.756 -2.920 1.00 0.00 C ATOM 543 C ASP A 33 -7.119 4.726 -4.102 1.00 0.00 C ATOM 544 O ASP A 33 -8.166 4.932 -4.688 1.00 0.00 O ATOM 545 CB ASP A 33 -6.903 4.550 -1.620 1.00 0.00 C ATOM 546 CG ASP A 33 -8.090 4.248 -0.704 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.637 3.163 -0.816 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.432 5.106 0.093 1.00 0.00 O ATOM 0 H ASP A 33 -5.110 3.001 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.954 3.157 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.970 4.288 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.860 5.617 -1.837 1.00 0.00 H new ATOM 553 N PHE A 34 -6.018 5.329 -4.452 1.00 0.00 N ATOM 554 CA PHE A 34 -6.022 6.294 -5.583 1.00 0.00 C ATOM 555 C PHE A 34 -6.617 5.625 -6.824 1.00 0.00 C ATOM 556 O PHE A 34 -7.502 6.158 -7.462 1.00 0.00 O ATOM 557 CB PHE A 34 -4.572 6.749 -5.849 1.00 0.00 C ATOM 558 CG PHE A 34 -4.104 6.329 -7.232 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.676 6.905 -8.372 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.100 5.364 -7.363 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.244 6.514 -9.644 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.662 4.974 -8.634 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.237 5.551 -9.776 1.00 0.00 C ATOM 0 H PHE A 34 -5.113 5.194 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.631 7.164 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.506 7.833 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.911 6.323 -5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.450 7.651 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.662 4.919 -6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.688 6.955 -10.524 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.884 4.232 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.902 5.252 -10.758 1.00 0.00 H new ATOM 573 N VAL A 35 -6.133 4.466 -7.178 1.00 0.00 N ATOM 574 CA VAL A 35 -6.690 3.802 -8.390 1.00 0.00 C ATOM 575 C VAL A 35 -8.153 3.463 -8.135 1.00 0.00 C ATOM 576 O VAL A 35 -9.023 3.843 -8.893 1.00 0.00 O ATOM 577 CB VAL A 35 -5.919 2.513 -8.724 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.821 2.824 -9.743 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.284 1.926 -7.461 1.00 0.00 C ATOM 0 H VAL A 35 -5.392 3.959 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.595 4.483 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.617 1.786 -9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.275 1.911 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.271 3.224 -10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.134 3.560 -9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.743 1.015 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.593 2.651 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.064 1.694 -6.736 1.00 0.00 H new ATOM 589 N ALA A 36 -8.440 2.781 -7.060 1.00 0.00 N ATOM 590 CA ALA A 36 -9.858 2.439 -6.765 1.00 0.00 C ATOM 591 C ALA A 36 -10.698 3.714 -6.815 1.00 0.00 C ATOM 592 O ALA A 36 -11.896 3.673 -7.009 1.00 0.00 O ATOM 593 CB ALA A 36 -9.960 1.780 -5.389 1.00 0.00 C ATOM 0 H ALA A 36 -7.758 2.448 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.232 1.735 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.001 1.533 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.361 0.869 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.591 2.468 -4.628 1.00 0.00 H new ATOM 599 N SER A 37 -10.076 4.849 -6.664 1.00 0.00 N ATOM 600 CA SER A 37 -10.837 6.125 -6.729 1.00 0.00 C ATOM 601 C SER A 37 -11.104 6.472 -8.199 1.00 0.00 C ATOM 602 O SER A 37 -11.896 7.340 -8.508 1.00 0.00 O ATOM 603 CB SER A 37 -10.017 7.242 -6.082 1.00 0.00 C ATOM 604 OG SER A 37 -10.881 8.311 -5.719 1.00 0.00 O ATOM 0 H SER A 37 -9.074 4.948 -6.499 1.00 0.00 H new ATOM 0 HA SER A 37 -11.782 6.018 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.498 6.864 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.253 7.596 -6.775 1.00 0.00 H new ATOM 0 HG SER A 37 -11.544 8.451 -6.427 1.00 0.00 H new ATOM 610 N LYS A 38 -10.437 5.805 -9.105 1.00 0.00 N ATOM 611 CA LYS A 38 -10.635 6.098 -10.555 1.00 0.00 C ATOM 612 C LYS A 38 -11.849 5.329 -11.098 1.00 0.00 C ATOM 613 O LYS A 38 -12.958 5.823 -11.090 1.00 0.00 O ATOM 614 CB LYS A 38 -9.380 5.681 -11.329 1.00 0.00 C ATOM 615 CG LYS A 38 -8.515 6.915 -11.617 1.00 0.00 C ATOM 616 CD LYS A 38 -8.306 7.709 -10.325 1.00 0.00 C ATOM 617 CE LYS A 38 -7.739 9.089 -10.661 1.00 0.00 C ATOM 618 NZ LYS A 38 -6.867 9.553 -9.544 1.00 0.00 N ATOM 0 H LYS A 38 -9.762 5.068 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.813 7.166 -10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.810 4.953 -10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.662 5.197 -12.264 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.553 6.609 -12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.997 7.542 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.251 7.812 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.624 7.175 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.167 9.043 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.551 9.798 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.715 10.579 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.326 9.342 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.951 9.063 -9.592 1.00 0.00 H new ATOM 632 N GLY A 39 -11.643 4.132 -11.587 1.00 0.00 N ATOM 633 CA GLY A 39 -12.782 3.344 -12.151 1.00 0.00 C ATOM 634 C GLY A 39 -13.044 2.096 -11.298 1.00 0.00 C ATOM 635 O GLY A 39 -13.975 1.351 -11.530 1.00 0.00 O ATOM 0 H GLY A 39 -10.736 3.666 -11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.679 3.963 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.557 3.051 -13.176 1.00 0.00 H new ATOM 745 N LYS A 46 -6.565 -5.626 -6.836 1.00 0.00 N ATOM 746 CA LYS A 46 -5.109 -5.787 -6.583 1.00 0.00 C ATOM 747 C LYS A 46 -4.379 -5.423 -7.872 1.00 0.00 C ATOM 748 O LYS A 46 -4.760 -5.837 -8.949 1.00 0.00 O ATOM 749 CB LYS A 46 -4.804 -7.239 -6.205 1.00 0.00 C ATOM 750 CG LYS A 46 -5.571 -7.605 -4.933 1.00 0.00 C ATOM 751 CD LYS A 46 -5.736 -9.124 -4.856 1.00 0.00 C ATOM 752 CE LYS A 46 -6.409 -9.629 -6.134 1.00 0.00 C ATOM 753 NZ LYS A 46 -5.395 -10.296 -6.997 1.00 0.00 N ATOM 0 HA LYS A 46 -4.787 -5.145 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.089 -7.906 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.733 -7.368 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.036 -7.242 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.548 -7.122 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.764 -9.600 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.336 -9.392 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.208 -10.328 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.868 -8.798 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.364 -9.825 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.460 -10.234 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.652 -11.296 -7.125 1.00 0.00 H new ATOM 767 N LEU A 47 -3.352 -4.637 -7.779 1.00 0.00 N ATOM 768 CA LEU A 47 -2.622 -4.234 -9.007 1.00 0.00 C ATOM 769 C LEU A 47 -1.466 -5.201 -9.244 1.00 0.00 C ATOM 770 O LEU A 47 -0.924 -5.758 -8.319 1.00 0.00 O ATOM 771 CB LEU A 47 -2.082 -2.821 -8.813 1.00 0.00 C ATOM 772 CG LEU A 47 -3.246 -1.880 -8.498 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.790 -0.826 -7.492 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.705 -1.201 -9.786 1.00 0.00 C ATOM 0 H LEU A 47 -2.985 -4.255 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.290 -4.257 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.355 -2.804 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.563 -2.490 -9.713 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.074 -2.447 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.619 -0.155 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.461 -1.316 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.964 -0.253 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.535 -0.529 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.879 -0.631 -10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.030 -1.958 -10.500 1.00 0.00 H new ATOM 786 N LEU A 48 -1.101 -5.419 -10.477 1.00 0.00 N ATOM 787 CA LEU A 48 0.014 -6.364 -10.779 1.00 0.00 C ATOM 788 C LEU A 48 1.223 -5.572 -11.287 1.00 0.00 C ATOM 789 O LEU A 48 1.122 -4.812 -12.229 1.00 0.00 O ATOM 790 CB LEU A 48 -0.463 -7.357 -11.852 1.00 0.00 C ATOM 791 CG LEU A 48 0.724 -8.074 -12.505 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.338 -7.179 -13.582 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.783 -8.408 -11.450 1.00 0.00 C ATOM 0 H LEU A 48 -1.528 -4.982 -11.293 1.00 0.00 H new ATOM 0 HA LEU A 48 0.305 -6.911 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.132 -8.090 -11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.036 -6.828 -12.613 1.00 0.00 H new ATOM 0 HG LEU A 48 0.371 -8.999 -12.960 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.182 -7.692 -14.044 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.588 -6.957 -14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.683 -6.249 -13.129 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.622 -8.917 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.134 -7.488 -10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.348 -9.057 -10.690 1.00 0.00 H new ATOM 805 N SER A 49 2.372 -5.734 -10.674 1.00 0.00 N ATOM 806 CA SER A 49 3.565 -4.973 -11.147 1.00 0.00 C ATOM 807 C SER A 49 4.067 -5.615 -12.439 1.00 0.00 C ATOM 808 O SER A 49 4.383 -6.794 -12.475 1.00 0.00 O ATOM 809 CB SER A 49 4.680 -5.014 -10.099 1.00 0.00 C ATOM 810 OG SER A 49 4.450 -6.098 -9.210 1.00 0.00 O ATOM 0 H SER A 49 2.531 -6.352 -9.878 1.00 0.00 H new ATOM 0 HA SER A 49 3.285 -3.933 -11.316 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.648 -5.128 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.709 -4.075 -9.546 1.00 0.00 H new ATOM 0 HG SER A 49 4.190 -6.892 -9.722 1.00 0.00 H new ATOM 816 N THR A 50 4.123 -4.851 -13.497 1.00 0.00 N ATOM 817 CA THR A 50 4.577 -5.401 -14.807 1.00 0.00 C ATOM 818 C THR A 50 6.100 -5.524 -14.839 1.00 0.00 C ATOM 819 O THR A 50 6.633 -6.519 -15.288 1.00 0.00 O ATOM 820 CB THR A 50 4.122 -4.468 -15.933 1.00 0.00 C ATOM 821 OG1 THR A 50 4.931 -3.299 -15.932 1.00 0.00 O ATOM 822 CG2 THR A 50 2.658 -4.077 -15.721 1.00 0.00 C ATOM 0 H THR A 50 3.872 -3.862 -13.510 1.00 0.00 H new ATOM 0 HA THR A 50 4.141 -6.391 -14.942 1.00 0.00 H new ATOM 0 HB THR A 50 4.221 -4.981 -16.890 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.638 -2.699 -15.214 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.339 -3.413 -16.524 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.038 -4.974 -15.723 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.553 -3.565 -14.764 1.00 0.00 H new ATOM 830 N PHE A 51 6.809 -4.524 -14.385 1.00 0.00 N ATOM 831 CA PHE A 51 8.296 -4.607 -14.416 1.00 0.00 C ATOM 832 C PHE A 51 8.730 -5.996 -13.928 1.00 0.00 C ATOM 833 O PHE A 51 9.268 -6.768 -14.698 1.00 0.00 O ATOM 834 CB PHE A 51 8.903 -3.507 -13.543 1.00 0.00 C ATOM 835 CG PHE A 51 9.384 -2.377 -14.421 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.724 -2.095 -15.623 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.490 -1.612 -14.033 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.169 -1.047 -16.436 1.00 0.00 C ATOM 839 CE2 PHE A 51 10.936 -0.564 -14.847 1.00 0.00 C ATOM 840 CZ PHE A 51 10.276 -0.281 -16.049 1.00 0.00 C ATOM 0 H PHE A 51 6.426 -3.662 -13.998 1.00 0.00 H new ATOM 0 HA PHE A 51 8.653 -4.461 -15.435 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.161 -3.140 -12.833 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.732 -3.907 -12.959 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.871 -2.686 -15.923 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.999 -1.830 -13.106 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.659 -0.828 -17.362 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.789 0.026 -14.548 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.620 0.527 -16.677 1.00 0.00 H new ATOM 850 N PRO A 52 8.463 -6.298 -12.678 1.00 0.00 N ATOM 851 CA PRO A 52 8.798 -7.614 -12.109 1.00 0.00 C ATOM 852 C PRO A 52 7.738 -8.634 -12.531 1.00 0.00 C ATOM 853 O PRO A 52 7.979 -9.825 -12.558 1.00 0.00 O ATOM 854 CB PRO A 52 8.736 -7.384 -10.599 1.00 0.00 C ATOM 855 CG PRO A 52 7.818 -6.160 -10.388 1.00 0.00 C ATOM 856 CD PRO A 52 7.817 -5.378 -11.716 1.00 0.00 C ATOM 0 HA PRO A 52 9.765 -7.994 -12.437 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.339 -8.261 -10.087 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.730 -7.200 -10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.809 -6.474 -10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.184 -5.537 -9.572 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.804 -5.123 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.369 -4.442 -11.628 1.00 0.00 H new ATOM 864 N ARG A 53 6.558 -8.166 -12.850 1.00 0.00 N ATOM 865 CA ARG A 53 5.468 -9.096 -13.258 1.00 0.00 C ATOM 866 C ARG A 53 4.992 -9.869 -12.029 1.00 0.00 C ATOM 867 O ARG A 53 4.837 -11.074 -12.063 1.00 0.00 O ATOM 868 CB ARG A 53 5.997 -10.076 -14.307 1.00 0.00 C ATOM 869 CG ARG A 53 4.827 -10.643 -15.114 1.00 0.00 C ATOM 870 CD ARG A 53 5.366 -11.459 -16.290 1.00 0.00 C ATOM 871 NE ARG A 53 4.233 -12.132 -16.987 1.00 0.00 N ATOM 872 CZ ARG A 53 3.518 -13.026 -16.360 1.00 0.00 C ATOM 873 NH1 ARG A 53 2.281 -12.761 -16.037 1.00 0.00 N ATOM 874 NH2 ARG A 53 4.038 -14.183 -16.057 1.00 0.00 N ATOM 0 H ARG A 53 6.304 -7.178 -12.845 1.00 0.00 H new ATOM 0 HA ARG A 53 4.639 -8.531 -13.683 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.699 -9.571 -14.970 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.543 -10.885 -13.821 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.203 -11.271 -14.478 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.196 -9.832 -15.479 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.899 -10.809 -16.984 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.081 -12.201 -15.935 1.00 0.00 H new ATOM 0 HE ARG A 53 4.016 -11.894 -17.955 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.874 -11.856 -16.275 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.721 -13.459 -15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.004 -14.390 -16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.478 -14.881 -15.567 1.00 0.00 H new ATOM 888 N ARG A 54 4.772 -9.189 -10.936 1.00 0.00 N ATOM 889 CA ARG A 54 4.321 -9.899 -9.702 1.00 0.00 C ATOM 890 C ARG A 54 3.194 -9.124 -9.012 1.00 0.00 C ATOM 891 O ARG A 54 3.008 -7.944 -9.238 1.00 0.00 O ATOM 892 CB ARG A 54 5.507 -10.048 -8.745 1.00 0.00 C ATOM 893 CG ARG A 54 5.795 -8.710 -8.059 1.00 0.00 C ATOM 894 CD ARG A 54 6.846 -8.920 -6.967 1.00 0.00 C ATOM 895 NE ARG A 54 6.168 -9.099 -5.653 1.00 0.00 N ATOM 896 CZ ARG A 54 6.288 -10.225 -5.006 1.00 0.00 C ATOM 897 NH1 ARG A 54 5.431 -11.188 -5.208 1.00 0.00 N ATOM 898 NH2 ARG A 54 7.265 -10.389 -4.156 1.00 0.00 N ATOM 0 H ARG A 54 4.884 -8.179 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 54 3.942 -10.883 -9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.288 -10.810 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.388 -10.383 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.152 -7.983 -8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.880 -8.305 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.454 -9.795 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.520 -8.064 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 54 5.610 -8.341 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.667 -11.060 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.525 -12.069 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.935 -9.636 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.358 -11.270 -3.650 1.00 0.00 H new ATOM 912 N ASP A 55 2.448 -9.782 -8.162 1.00 0.00 N ATOM 913 CA ASP A 55 1.338 -9.092 -7.444 1.00 0.00 C ATOM 914 C ASP A 55 1.829 -7.737 -6.932 1.00 0.00 C ATOM 915 O ASP A 55 2.717 -7.669 -6.109 1.00 0.00 O ATOM 916 CB ASP A 55 0.881 -9.952 -6.264 1.00 0.00 C ATOM 917 CG ASP A 55 -0.646 -10.034 -6.251 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.277 -8.997 -6.380 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.161 -11.131 -6.110 1.00 0.00 O ATOM 0 H ASP A 55 2.561 -10.770 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 55 0.501 -8.940 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.308 -10.952 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.240 -9.524 -5.328 1.00 0.00 H new ATOM 924 N VAL A 56 1.245 -6.673 -7.433 1.00 0.00 N ATOM 925 CA VAL A 56 1.625 -5.278 -7.037 1.00 0.00 C ATOM 926 C VAL A 56 3.036 -5.236 -6.447 1.00 0.00 C ATOM 927 O VAL A 56 3.277 -5.605 -5.319 1.00 0.00 O ATOM 928 CB VAL A 56 0.594 -4.702 -6.060 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.892 -5.155 -4.636 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.630 -3.172 -6.132 1.00 0.00 C ATOM 0 H VAL A 56 0.495 -6.717 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 56 1.630 -4.656 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.396 -5.063 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.149 -4.736 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.856 -6.243 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.884 -4.811 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.102 -2.758 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.625 -2.818 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.392 -2.850 -7.146 1.00 0.00 H new ATOM 940 N THR A 57 3.952 -4.770 -7.242 1.00 0.00 N ATOM 941 CA THR A 57 5.391 -4.651 -6.838 1.00 0.00 C ATOM 942 C THR A 57 5.751 -5.597 -5.685 1.00 0.00 C ATOM 943 O THR A 57 6.289 -6.663 -5.897 1.00 0.00 O ATOM 944 CB THR A 57 5.701 -3.198 -6.458 1.00 0.00 C ATOM 945 OG1 THR A 57 6.475 -3.169 -5.271 1.00 0.00 O ATOM 946 CG2 THR A 57 4.396 -2.419 -6.257 1.00 0.00 C ATOM 0 H THR A 57 3.762 -4.453 -8.193 1.00 0.00 H new ATOM 0 HA THR A 57 6.002 -4.945 -7.691 1.00 0.00 H new ATOM 0 HB THR A 57 6.268 -2.730 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.931 -2.304 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.625 -1.388 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.818 -2.432 -7.181 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.815 -2.882 -5.459 1.00 0.00 H new ATOM 954 N GLN A 58 5.492 -5.208 -4.474 1.00 0.00 N ATOM 955 CA GLN A 58 5.861 -6.087 -3.320 1.00 0.00 C ATOM 956 C GLN A 58 4.628 -6.488 -2.500 1.00 0.00 C ATOM 957 O GLN A 58 4.752 -7.046 -1.428 1.00 0.00 O ATOM 958 CB GLN A 58 6.847 -5.344 -2.419 1.00 0.00 C ATOM 959 CG GLN A 58 8.266 -5.850 -2.686 1.00 0.00 C ATOM 960 CD GLN A 58 8.326 -7.359 -2.443 1.00 0.00 C ATOM 961 OE1 GLN A 58 7.331 -7.973 -2.113 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.461 -7.986 -2.592 1.00 0.00 N ATOM 0 H GLN A 58 5.044 -4.326 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 58 6.315 -6.996 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.791 -4.272 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.586 -5.498 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.556 -5.625 -3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.974 -5.338 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.296 -7.470 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.513 -8.992 -2.431 1.00 0.00 H new ATOM 971 N LEU A 59 3.445 -6.227 -2.984 1.00 0.00 N ATOM 972 CA LEU A 59 2.228 -6.620 -2.210 1.00 0.00 C ATOM 973 C LEU A 59 2.177 -5.859 -0.886 1.00 0.00 C ATOM 974 O LEU A 59 2.924 -4.929 -0.662 1.00 0.00 O ATOM 975 CB LEU A 59 2.271 -8.125 -1.930 1.00 0.00 C ATOM 976 CG LEU A 59 1.504 -8.866 -3.024 1.00 0.00 C ATOM 977 CD1 LEU A 59 2.095 -10.266 -3.203 1.00 0.00 C ATOM 978 CD2 LEU A 59 0.033 -8.983 -2.623 1.00 0.00 C ATOM 0 H LEU A 59 3.266 -5.763 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 59 1.340 -6.377 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.304 -8.471 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.832 -8.338 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 59 1.584 -8.315 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.548 -10.795 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.144 -10.184 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.014 -10.817 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.516 -9.511 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.046 -9.535 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.389 -7.986 -2.494 1.00 0.00 H new ATOM 990 N ASP A 60 1.292 -6.252 -0.007 1.00 0.00 N ATOM 991 CA ASP A 60 1.176 -5.562 1.309 1.00 0.00 C ATOM 992 C ASP A 60 0.673 -4.129 1.096 1.00 0.00 C ATOM 993 O ASP A 60 1.455 -3.228 0.856 1.00 0.00 O ATOM 994 CB ASP A 60 2.546 -5.530 1.993 1.00 0.00 C ATOM 995 CG ASP A 60 3.074 -6.959 2.140 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.873 -7.741 1.226 1.00 0.00 O ATOM 997 OD2 ASP A 60 3.669 -7.246 3.166 1.00 0.00 O ATOM 0 H ASP A 60 0.642 -7.026 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 60 0.470 -6.102 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.243 -4.931 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.465 -5.058 2.972 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.622 -3.958 1.203 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.265 -2.642 1.030 1.00 0.00 C ATOM 1004 C PRO A 61 -0.932 -1.738 2.212 1.00 0.00 C ATOM 1005 O PRO A 61 -1.189 -0.552 2.199 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.762 -2.970 0.975 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.926 -4.350 1.650 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.561 -5.052 1.533 1.00 0.00 C ATOM 0 HA PRO A 61 -0.931 -2.109 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.346 -2.211 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.117 -2.996 -0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.219 -4.240 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.706 -4.932 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.286 -5.547 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.571 -5.817 0.757 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.335 -2.295 3.221 1.00 0.00 N ATOM 1017 CA ASN A 62 0.043 -1.483 4.407 1.00 0.00 C ATOM 1018 C ASN A 62 1.537 -1.171 4.330 1.00 0.00 C ATOM 1019 O ASN A 62 2.076 -0.451 5.148 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.252 -2.271 5.686 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.657 -2.867 5.605 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -2.596 -2.191 5.234 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -1.844 -4.115 5.938 1.00 0.00 N ATOM 0 H ASN A 62 -0.090 -3.284 3.277 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.531 -0.556 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.484 -3.064 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.172 -1.618 6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.778 -4.522 5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.056 -4.683 6.250 1.00 0.00 H new ATOM 1030 N LYS A 63 2.209 -1.707 3.348 1.00 0.00 N ATOM 1031 CA LYS A 63 3.663 -1.445 3.209 1.00 0.00 C ATOM 1032 C LYS A 63 3.873 -0.067 2.587 1.00 0.00 C ATOM 1033 O LYS A 63 2.998 0.477 1.938 1.00 0.00 O ATOM 1034 CB LYS A 63 4.293 -2.509 2.310 1.00 0.00 C ATOM 1035 CG LYS A 63 5.388 -3.247 3.082 1.00 0.00 C ATOM 1036 CD LYS A 63 4.747 -4.145 4.143 1.00 0.00 C ATOM 1037 CE LYS A 63 5.840 -4.763 5.016 1.00 0.00 C ATOM 1038 NZ LYS A 63 6.330 -3.748 5.989 1.00 0.00 N ATOM 0 H LYS A 63 1.809 -2.317 2.635 1.00 0.00 H new ATOM 0 HA LYS A 63 4.132 -1.478 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.532 -3.214 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.713 -2.044 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.989 -3.846 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.061 -2.531 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.060 -3.565 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.161 -4.930 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.449 -5.632 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.663 -5.113 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.918 -4.213 6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.896 -3.033 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.519 -3.288 6.449 1.00 0.00 H new ATOM 1052 N SER A 64 5.030 0.499 2.770 1.00 0.00 N ATOM 1053 CA SER A 64 5.306 1.834 2.183 1.00 0.00 C ATOM 1054 C SER A 64 5.894 1.613 0.794 1.00 0.00 C ATOM 1055 O SER A 64 6.140 0.492 0.397 1.00 0.00 O ATOM 1056 CB SER A 64 6.305 2.594 3.058 1.00 0.00 C ATOM 1057 OG SER A 64 7.627 2.237 2.680 1.00 0.00 O ATOM 0 H SER A 64 5.799 0.092 3.303 1.00 0.00 H new ATOM 0 HA SER A 64 4.390 2.422 2.123 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.160 3.669 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.139 2.358 4.109 1.00 0.00 H new ATOM 0 HG SER A 64 8.253 2.925 2.989 1.00 0.00 H new ATOM 1063 N LEU A 65 6.090 2.646 0.031 1.00 0.00 N ATOM 1064 CA LEU A 65 6.619 2.428 -1.336 1.00 0.00 C ATOM 1065 C LEU A 65 8.087 2.017 -1.272 1.00 0.00 C ATOM 1066 O LEU A 65 8.497 1.115 -1.960 1.00 0.00 O ATOM 1067 CB LEU A 65 6.455 3.700 -2.157 1.00 0.00 C ATOM 1068 CG LEU A 65 5.013 3.767 -2.661 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.783 5.088 -3.374 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.753 2.626 -3.644 1.00 0.00 C ATOM 0 H LEU A 65 5.910 3.616 0.289 1.00 0.00 H new ATOM 0 HA LEU A 65 6.059 1.625 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.686 4.575 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.150 3.702 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 65 4.337 3.681 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.755 5.134 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.963 5.911 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.466 5.169 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.724 2.679 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.434 2.713 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.915 1.671 -3.144 1.00 0.00 H new ATOM 1082 N LEU A 66 8.884 2.634 -0.448 1.00 0.00 N ATOM 1083 CA LEU A 66 10.312 2.203 -0.380 1.00 0.00 C ATOM 1084 C LEU A 66 10.362 0.686 -0.198 1.00 0.00 C ATOM 1085 O LEU A 66 11.100 -0.007 -0.870 1.00 0.00 O ATOM 1086 CB LEU A 66 11.014 2.870 0.812 1.00 0.00 C ATOM 1087 CG LEU A 66 11.577 4.262 0.452 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.664 4.469 -1.065 1.00 0.00 C ATOM 1089 CD2 LEU A 66 10.675 5.337 1.060 1.00 0.00 C ATOM 0 H LEU A 66 8.620 3.401 0.170 1.00 0.00 H new ATOM 0 HA LEU A 66 10.817 2.495 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.310 2.967 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.826 2.230 1.158 1.00 0.00 H new ATOM 0 HG LEU A 66 12.587 4.334 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.065 5.461 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.320 3.714 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.669 4.380 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.066 6.324 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.666 5.234 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.649 5.220 2.143 1.00 0.00 H new ATOM 1101 N GLU A 67 9.578 0.164 0.702 1.00 0.00 N ATOM 1102 CA GLU A 67 9.587 -1.313 0.925 1.00 0.00 C ATOM 1103 C GLU A 67 9.177 -2.013 -0.368 1.00 0.00 C ATOM 1104 O GLU A 67 9.644 -3.092 -0.672 1.00 0.00 O ATOM 1105 CB GLU A 67 8.609 -1.732 2.041 1.00 0.00 C ATOM 1106 CG GLU A 67 8.056 -0.516 2.789 1.00 0.00 C ATOM 1107 CD GLU A 67 9.203 0.229 3.477 1.00 0.00 C ATOM 1108 OE1 GLU A 67 9.572 -0.169 4.570 1.00 0.00 O ATOM 1109 OE2 GLU A 67 9.695 1.186 2.900 1.00 0.00 O ATOM 0 H GLU A 67 8.933 0.691 1.292 1.00 0.00 H new ATOM 0 HA GLU A 67 10.594 -1.599 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.785 -2.301 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.118 -2.392 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.542 0.148 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.321 -0.834 3.528 1.00 0.00 H new ATOM 1116 N VAL A 68 8.308 -1.410 -1.132 1.00 0.00 N ATOM 1117 CA VAL A 68 7.877 -2.053 -2.406 1.00 0.00 C ATOM 1118 C VAL A 68 8.542 -1.348 -3.602 1.00 0.00 C ATOM 1119 O VAL A 68 8.196 -1.592 -4.740 1.00 0.00 O ATOM 1120 CB VAL A 68 6.350 -1.998 -2.517 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.726 -2.695 -1.307 1.00 0.00 C ATOM 1122 CG2 VAL A 68 5.872 -0.550 -2.558 1.00 0.00 C ATOM 0 H VAL A 68 7.880 -0.506 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 68 8.188 -3.098 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 68 6.048 -2.501 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.639 -2.656 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.051 -3.735 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.042 -2.191 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.785 -0.528 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.180 -0.039 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.309 -0.047 -3.421 1.00 0.00 H new ATOM 1132 N LYS A 69 9.507 -0.494 -3.322 1.00 0.00 N ATOM 1133 CA LYS A 69 10.275 0.264 -4.371 1.00 0.00 C ATOM 1134 C LYS A 69 9.696 0.083 -5.780 1.00 0.00 C ATOM 1135 O LYS A 69 10.175 -0.714 -6.562 1.00 0.00 O ATOM 1136 CB LYS A 69 11.738 -0.209 -4.364 1.00 0.00 C ATOM 1137 CG LYS A 69 11.840 -1.608 -3.738 1.00 0.00 C ATOM 1138 CD LYS A 69 10.993 -2.584 -4.553 1.00 0.00 C ATOM 1139 CE LYS A 69 10.392 -3.655 -3.645 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.369 -4.766 -3.468 1.00 0.00 N ATOM 0 H LYS A 69 9.804 -0.284 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 69 10.202 1.323 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.126 -0.229 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.353 0.494 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.879 -1.937 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.495 -1.583 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.197 -2.044 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.606 -3.053 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.137 -3.224 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.467 -4.036 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.965 -5.486 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.579 -5.195 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.247 -4.394 -3.052 1.00 0.00 H new ATOM 1207 N GLN A 73 9.806 4.530 -12.570 1.00 0.00 N ATOM 1208 CA GLN A 73 8.778 4.311 -13.624 1.00 0.00 C ATOM 1209 C GLN A 73 8.291 2.864 -13.547 1.00 0.00 C ATOM 1210 O GLN A 73 9.019 1.940 -13.851 1.00 0.00 O ATOM 1211 CB GLN A 73 9.394 4.568 -15.003 1.00 0.00 C ATOM 1212 CG GLN A 73 10.157 5.894 -14.984 1.00 0.00 C ATOM 1213 CD GLN A 73 10.466 6.324 -16.420 1.00 0.00 C ATOM 1214 OE1 GLN A 73 11.193 5.653 -17.124 1.00 0.00 O ATOM 1215 NE2 GLN A 73 9.939 7.423 -16.887 1.00 0.00 N ATOM 0 HA GLN A 73 7.942 4.993 -13.471 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.067 3.753 -15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.612 4.597 -15.762 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.565 6.660 -14.483 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.082 5.786 -14.418 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.328 7.987 -16.296 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.138 7.718 -17.843 1.00 0.00 H new ATOM 1224 N GLU A 74 7.068 2.650 -13.135 1.00 0.00 N ATOM 1225 CA GLU A 74 6.566 1.247 -13.039 1.00 0.00 C ATOM 1226 C GLU A 74 5.125 1.160 -13.567 1.00 0.00 C ATOM 1227 O GLU A 74 4.262 1.923 -13.188 1.00 0.00 O ATOM 1228 CB GLU A 74 6.664 0.788 -11.564 1.00 0.00 C ATOM 1229 CG GLU A 74 5.290 0.424 -10.981 1.00 0.00 C ATOM 1230 CD GLU A 74 4.874 -0.963 -11.474 1.00 0.00 C ATOM 1231 OE1 GLU A 74 5.234 -1.308 -12.587 1.00 0.00 O ATOM 1232 OE2 GLU A 74 4.203 -1.657 -10.729 1.00 0.00 O ATOM 0 H GLU A 74 6.403 3.375 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 74 7.174 0.584 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.326 -0.075 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.112 1.582 -10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.331 0.437 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.549 1.165 -11.281 1.00 0.00 H new ATOM 1239 N THR A 75 4.859 0.223 -14.434 1.00 0.00 N ATOM 1240 CA THR A 75 3.477 0.080 -14.972 1.00 0.00 C ATOM 1241 C THR A 75 2.772 -1.049 -14.217 1.00 0.00 C ATOM 1242 O THR A 75 3.305 -2.129 -14.061 1.00 0.00 O ATOM 1243 CB THR A 75 3.534 -0.256 -16.464 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.488 0.583 -17.099 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.156 -0.035 -17.092 1.00 0.00 C ATOM 0 H THR A 75 5.537 -0.449 -14.793 1.00 0.00 H new ATOM 0 HA THR A 75 2.930 1.014 -14.841 1.00 0.00 H new ATOM 0 HB THR A 75 3.825 -1.299 -16.592 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.528 0.369 -18.054 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.198 -0.275 -18.155 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.426 -0.680 -16.603 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.862 1.007 -16.966 1.00 0.00 H new ATOM 1253 N LEU A 76 1.584 -0.808 -13.737 1.00 0.00 N ATOM 1254 CA LEU A 76 0.860 -1.871 -12.983 1.00 0.00 C ATOM 1255 C LEU A 76 -0.424 -2.249 -13.724 1.00 0.00 C ATOM 1256 O LEU A 76 -0.886 -1.530 -14.579 1.00 0.00 O ATOM 1257 CB LEU A 76 0.510 -1.355 -11.587 1.00 0.00 C ATOM 1258 CG LEU A 76 1.417 -2.019 -10.552 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.873 -0.987 -9.525 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.643 -3.121 -9.838 1.00 0.00 C ATOM 0 H LEU A 76 1.084 0.076 -13.833 1.00 0.00 H new ATOM 0 HA LEU A 76 1.498 -2.751 -12.899 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.629 -0.272 -11.548 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.535 -1.569 -11.361 1.00 0.00 H new ATOM 0 HG LEU A 76 2.287 -2.440 -11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.519 -1.466 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.423 -0.192 -10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.003 -0.565 -9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.287 -3.597 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.226 -2.691 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.314 -3.864 -10.565 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.006 -3.373 -13.402 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.265 -3.787 -14.089 1.00 0.00 C ATOM 1274 C PHE A 77 -3.365 -3.994 -13.043 1.00 0.00 C ATOM 1275 O PHE A 77 -3.106 -4.409 -11.934 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.034 -5.099 -14.847 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.093 -4.880 -16.012 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.933 -3.604 -16.572 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.380 -5.966 -16.538 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -0.062 -3.417 -17.653 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.489 -5.776 -17.619 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.649 -4.503 -18.175 1.00 0.00 C ATOM 0 H PHE A 77 -0.665 -4.023 -12.693 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.565 -3.011 -14.794 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.619 -5.847 -14.172 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.985 -5.489 -15.209 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.482 -2.765 -16.170 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.501 -6.950 -16.109 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.061 -2.434 -18.084 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.037 -6.614 -18.024 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.322 -4.358 -19.008 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.594 -3.710 -13.385 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.698 -3.896 -12.399 1.00 0.00 C ATOM 1294 C LEU A 78 -6.179 -5.349 -12.445 1.00 0.00 C ATOM 1295 O LEU A 78 -6.489 -5.878 -13.494 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.862 -2.965 -12.753 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.405 -2.292 -11.488 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.297 -0.776 -11.627 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.878 -2.655 -11.298 1.00 0.00 C ATOM 0 H LEU A 78 -4.880 -3.359 -14.299 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.336 -3.661 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.529 -2.207 -13.462 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.655 -3.532 -13.241 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.823 -2.634 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.684 -0.300 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.252 -0.497 -11.765 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.878 -0.447 -12.489 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.258 -2.173 -10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.451 -2.315 -12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.977 -3.736 -11.201 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.255 -5.993 -11.312 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.727 -7.409 -11.282 1.00 0.00 C ATOM 1313 C GLU A 79 -7.632 -7.591 -10.066 1.00 0.00 C ATOM 1314 O GLU A 79 -7.243 -7.316 -8.948 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.525 -8.350 -11.175 1.00 0.00 C ATOM 1316 CG GLU A 79 -6.016 -9.789 -10.995 1.00 0.00 C ATOM 1317 CD GLU A 79 -5.083 -10.745 -11.739 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.885 -10.518 -11.704 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -5.582 -11.687 -12.332 1.00 0.00 O ATOM 0 H GLU A 79 -6.010 -5.600 -10.403 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.276 -7.640 -12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.910 -8.274 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.897 -8.061 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.046 -10.044 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.033 -9.887 -11.375 1.00 0.00 H new