USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 1 K(o=1,f=-0.12) USER MOD Single : A 14 THR OG1 : rot -146:sc= 0.381 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.156 F(o=-0.77,f=-0.16) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 41:sc= 0.0786 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0844 K(o=-0.084,f=-0.9) USER MOD Single : A 37 TYR OH : rot 24:sc= 0.109 USER MOD Single : A 41 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-4.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.39 X(o=0.39,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.306 K(o=0.31,f=-4.2!) USER MOD Single : A 57 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.079) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0795) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.51 F(o=-2.2!,f=-1.5) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.773 16.939 1.917 1.00 0.00 N ATOM 84 CA VAL A 2 -2.545 16.210 2.916 1.00 0.00 C ATOM 85 C VAL A 2 -2.003 14.798 3.106 1.00 0.00 C ATOM 86 O VAL A 2 -1.996 13.993 2.175 1.00 0.00 O ATOM 87 CB VAL A 2 -4.033 16.129 2.527 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.802 15.280 3.528 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.633 17.523 2.425 1.00 0.00 C ATOM 0 HA VAL A 2 -2.452 16.761 3.852 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.110 15.653 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.851 15.235 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.386 14.273 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.720 15.724 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.685 17.447 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.546 18.028 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.099 18.094 1.666 1.00 0.00 H new ATOM 99 N LYS A 3 -1.549 14.503 4.320 1.00 0.00 N ATOM 100 CA LYS A 3 -1.005 13.187 4.635 1.00 0.00 C ATOM 101 C LYS A 3 -2.111 12.137 4.674 1.00 0.00 C ATOM 102 O LYS A 3 -3.268 12.449 4.959 1.00 0.00 O ATOM 103 CB LYS A 3 -0.274 13.223 5.979 1.00 0.00 C ATOM 104 CG LYS A 3 0.303 11.881 6.393 1.00 0.00 C ATOM 105 CD LYS A 3 1.343 12.035 7.491 1.00 0.00 C ATOM 106 CE LYS A 3 1.705 10.694 8.108 1.00 0.00 C ATOM 107 NZ LYS A 3 0.753 10.303 9.185 1.00 0.00 N ATOM 0 H LYS A 3 -1.547 15.158 5.102 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.298 12.916 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.532 13.955 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.965 13.566 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.500 11.230 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.755 11.396 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.239 12.502 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.961 12.701 8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.711 9.928 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.715 10.743 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.035 9.383 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.766 11.021 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.207 10.231 8.791 1.00 0.00 H new ATOM 121 N LEU A 4 -1.748 10.892 4.386 1.00 0.00 N ATOM 122 CA LEU A 4 -2.710 9.795 4.390 1.00 0.00 C ATOM 123 C LEU A 4 -2.136 8.570 5.096 1.00 0.00 C ATOM 124 O LEU A 4 -1.067 8.077 4.735 1.00 0.00 O ATOM 125 CB LEU A 4 -3.106 9.433 2.957 1.00 0.00 C ATOM 126 CG LEU A 4 -3.713 10.561 2.123 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.763 10.172 0.654 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.104 10.911 2.632 1.00 0.00 C ATOM 0 H LEU A 4 -0.795 10.617 4.147 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.596 10.123 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.221 9.061 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.821 8.611 2.996 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.079 11.442 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.198 10.987 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.753 9.972 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.374 9.277 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.521 11.716 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.748 10.034 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.041 11.234 3.671 1.00 0.00 H new ATOM 140 N PHE A 5 -2.854 8.083 6.102 1.00 0.00 N ATOM 141 CA PHE A 5 -2.417 6.916 6.858 1.00 0.00 C ATOM 142 C PHE A 5 -2.995 5.635 6.263 1.00 0.00 C ATOM 143 O PHE A 5 -4.208 5.510 6.092 1.00 0.00 O ATOM 144 CB PHE A 5 -2.837 7.044 8.324 1.00 0.00 C ATOM 145 CG PHE A 5 -2.423 5.875 9.171 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.022 4.637 9.007 1.00 0.00 C ATOM 147 CD2 PHE A 5 -1.434 6.014 10.131 1.00 0.00 C ATOM 148 CE1 PHE A 5 -2.644 3.560 9.785 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.051 4.940 10.913 1.00 0.00 C ATOM 150 CZ PHE A 5 -1.656 3.711 10.739 1.00 0.00 C ATOM 0 H PHE A 5 -3.741 8.479 6.413 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.330 6.865 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.405 7.954 8.739 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.920 7.154 8.375 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.794 4.512 8.262 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.956 6.973 10.270 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.120 2.601 9.648 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.280 5.062 11.659 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.358 2.870 11.347 1.00 0.00 H new ATOM 160 N ILE A 6 -2.118 4.687 5.949 1.00 0.00 N ATOM 161 CA ILE A 6 -2.540 3.417 5.374 1.00 0.00 C ATOM 162 C ILE A 6 -1.971 2.241 6.160 1.00 0.00 C ATOM 163 O ILE A 6 -0.755 2.080 6.264 1.00 0.00 O ATOM 164 CB ILE A 6 -2.106 3.294 3.901 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.496 4.553 3.125 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.730 2.060 3.266 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.848 4.647 1.761 1.00 0.00 C ATOM 0 H ILE A 6 -1.111 4.775 6.083 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.628 3.393 5.427 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.022 3.189 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.579 4.576 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.221 5.431 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.414 1.987 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.407 1.170 3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.816 2.138 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.170 5.564 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.764 4.656 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.143 3.788 1.158 1.00 0.00 H new ATOM 179 N GLY A 7 -2.858 1.418 6.711 1.00 0.00 N ATOM 180 CA GLY A 7 -2.425 0.266 7.480 1.00 0.00 C ATOM 181 C GLY A 7 -2.861 -1.044 6.855 1.00 0.00 C ATOM 182 O GLY A 7 -3.624 -1.056 5.890 1.00 0.00 O ATOM 0 H GLY A 7 -3.869 1.529 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.339 0.279 7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.828 0.335 8.490 1.00 0.00 H new ATOM 186 N ASN A 8 -2.373 -2.152 7.405 1.00 0.00 N ATOM 187 CA ASN A 8 -2.715 -3.474 6.894 1.00 0.00 C ATOM 188 C ASN A 8 -2.134 -3.685 5.499 1.00 0.00 C ATOM 189 O ASN A 8 -2.810 -4.190 4.602 1.00 0.00 O ATOM 190 CB ASN A 8 -4.234 -3.653 6.858 1.00 0.00 C ATOM 191 CG ASN A 8 -4.649 -5.106 6.987 1.00 0.00 C ATOM 192 OD1 ASN A 8 -5.164 -5.526 8.023 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.424 -5.881 5.932 1.00 0.00 N ATOM 0 H ASN A 8 -1.740 -2.160 8.204 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.284 -4.218 7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.684 -3.076 7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.623 -3.249 5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.681 -6.868 5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.994 -5.489 5.094 1.00 0.00 H new ATOM 200 N LEU A 9 -0.876 -3.295 5.323 1.00 0.00 N ATOM 201 CA LEU A 9 -0.202 -3.442 4.038 1.00 0.00 C ATOM 202 C LEU A 9 0.523 -4.782 3.953 1.00 0.00 C ATOM 203 O LEU A 9 1.092 -5.271 4.929 1.00 0.00 O ATOM 204 CB LEU A 9 0.791 -2.298 3.827 1.00 0.00 C ATOM 205 CG LEU A 9 0.184 -0.904 3.664 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.279 0.144 3.537 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.740 -0.862 2.456 1.00 0.00 C ATOM 0 H LEU A 9 -0.302 -2.875 6.054 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.958 -3.408 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.476 -2.277 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.386 -2.519 2.941 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.404 -0.679 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.828 1.130 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.900 0.132 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.895 -0.077 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.163 0.138 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.175 -1.109 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.545 -1.585 2.588 1.00 0.00 H new ATOM 219 N PRO A 10 0.505 -5.389 2.757 1.00 0.00 N ATOM 220 CA PRO A 10 1.158 -6.679 2.515 1.00 0.00 C ATOM 221 C PRO A 10 2.664 -6.539 2.322 1.00 0.00 C ATOM 222 O PRO A 10 3.246 -5.501 2.639 1.00 0.00 O ATOM 223 CB PRO A 10 0.498 -7.175 1.226 1.00 0.00 C ATOM 224 CG PRO A 10 0.086 -5.934 0.510 1.00 0.00 C ATOM 225 CD PRO A 10 -0.154 -4.864 1.549 1.00 0.00 C ATOM 0 HA PRO A 10 1.041 -7.359 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.192 -7.766 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.360 -7.812 1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.861 -5.621 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.818 -6.111 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.273 -3.908 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.219 -4.699 1.714 1.00 0.00 H new ATOM 233 N ARG A 11 3.290 -7.590 1.802 1.00 0.00 N ATOM 234 CA ARG A 11 4.729 -7.584 1.569 1.00 0.00 C ATOM 235 C ARG A 11 5.045 -7.166 0.135 1.00 0.00 C ATOM 236 O ARG A 11 6.099 -6.592 -0.135 1.00 0.00 O ATOM 237 CB ARG A 11 5.318 -8.967 1.850 1.00 0.00 C ATOM 238 CG ARG A 11 6.737 -9.141 1.332 1.00 0.00 C ATOM 239 CD ARG A 11 7.736 -8.363 2.173 1.00 0.00 C ATOM 240 NE ARG A 11 9.027 -8.226 1.503 1.00 0.00 N ATOM 241 CZ ARG A 11 10.092 -7.669 2.067 1.00 0.00 C ATOM 242 NH1 ARG A 11 10.023 -7.202 3.306 1.00 0.00 N ATOM 243 NH2 ARG A 11 11.232 -7.581 1.393 1.00 0.00 N ATOM 0 H ARG A 11 2.823 -8.456 1.534 1.00 0.00 H new ATOM 0 HA ARG A 11 5.179 -6.860 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.308 -9.145 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.679 -9.724 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.000 -10.199 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.791 -8.805 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.334 -7.374 2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.876 -8.868 3.129 1.00 0.00 H new ATOM 0 HE ARG A 11 9.115 -8.578 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.150 -7.270 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.843 -6.775 3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.291 -7.942 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.050 -7.153 1.827 1.00 0.00 H new ATOM 257 N GLU A 12 4.125 -7.459 -0.778 1.00 0.00 N ATOM 258 CA GLU A 12 4.307 -7.114 -2.183 1.00 0.00 C ATOM 259 C GLU A 12 4.106 -5.618 -2.407 1.00 0.00 C ATOM 260 O GLU A 12 4.648 -5.043 -3.350 1.00 0.00 O ATOM 261 CB GLU A 12 3.332 -7.908 -3.056 1.00 0.00 C ATOM 262 CG GLU A 12 3.784 -9.331 -3.334 1.00 0.00 C ATOM 263 CD GLU A 12 5.115 -9.390 -4.059 1.00 0.00 C ATOM 264 OE1 GLU A 12 5.114 -9.316 -5.306 1.00 0.00 O ATOM 265 OE2 GLU A 12 6.156 -9.511 -3.381 1.00 0.00 O ATOM 0 H GLU A 12 3.247 -7.934 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 12 5.328 -7.371 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.358 -7.934 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.199 -7.386 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.863 -9.873 -2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.027 -9.839 -3.931 1.00 0.00 H new ATOM 272 N ALA A 13 3.322 -4.995 -1.533 1.00 0.00 N ATOM 273 CA ALA A 13 3.050 -3.567 -1.633 1.00 0.00 C ATOM 274 C ALA A 13 4.346 -2.764 -1.693 1.00 0.00 C ATOM 275 O ALA A 13 5.280 -3.015 -0.930 1.00 0.00 O ATOM 276 CB ALA A 13 2.197 -3.108 -0.460 1.00 0.00 C ATOM 0 H ALA A 13 2.864 -5.457 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 13 2.501 -3.391 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.002 -2.039 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.252 -3.651 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.725 -3.305 0.473 1.00 0.00 H new ATOM 282 N THR A 14 4.396 -1.798 -2.605 1.00 0.00 N ATOM 283 CA THR A 14 5.578 -0.960 -2.766 1.00 0.00 C ATOM 284 C THR A 14 5.201 0.516 -2.827 1.00 0.00 C ATOM 285 O THR A 14 4.053 0.861 -3.105 1.00 0.00 O ATOM 286 CB THR A 14 6.361 -1.331 -4.039 1.00 0.00 C ATOM 287 OG1 THR A 14 5.521 -1.190 -5.190 1.00 0.00 O ATOM 288 CG2 THR A 14 6.882 -2.758 -3.957 1.00 0.00 C ATOM 0 H THR A 14 3.632 -1.577 -3.243 1.00 0.00 H new ATOM 0 HA THR A 14 6.210 -1.135 -1.896 1.00 0.00 H new ATOM 0 HB THR A 14 7.211 -0.655 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.762 -1.868 -5.856 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.432 -2.998 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.545 -2.855 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.043 -3.446 -3.848 1.00 0.00 H new ATOM 296 N GLU A 15 6.175 1.382 -2.567 1.00 0.00 N ATOM 297 CA GLU A 15 5.943 2.822 -2.593 1.00 0.00 C ATOM 298 C GLU A 15 5.278 3.242 -3.901 1.00 0.00 C ATOM 299 O GLU A 15 4.465 4.165 -3.926 1.00 0.00 O ATOM 300 CB GLU A 15 7.262 3.576 -2.413 1.00 0.00 C ATOM 301 CG GLU A 15 7.850 3.450 -1.018 1.00 0.00 C ATOM 302 CD GLU A 15 9.253 4.017 -0.922 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.389 5.256 -0.856 1.00 0.00 O ATOM 304 OE2 GLU A 15 10.215 3.220 -0.915 1.00 0.00 O ATOM 0 H GLU A 15 7.131 1.112 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 15 5.275 3.072 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.986 3.203 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.101 4.631 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.204 3.966 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.866 2.399 -0.728 1.00 0.00 H new ATOM 311 N GLN A 16 5.632 2.558 -4.984 1.00 0.00 N ATOM 312 CA GLN A 16 5.070 2.861 -6.295 1.00 0.00 C ATOM 313 C GLN A 16 3.613 2.420 -6.379 1.00 0.00 C ATOM 314 O GLN A 16 2.704 3.249 -6.392 1.00 0.00 O ATOM 315 CB GLN A 16 5.887 2.177 -7.393 1.00 0.00 C ATOM 316 CG GLN A 16 7.328 2.654 -7.467 1.00 0.00 C ATOM 317 CD GLN A 16 8.195 1.761 -8.332 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.227 1.904 -9.555 1.00 0.00 O ATOM 319 NE2 GLN A 16 8.904 0.832 -7.701 1.00 0.00 N ATOM 0 H GLN A 16 6.305 1.791 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 16 5.111 3.941 -6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.878 1.100 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.405 2.352 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.351 3.669 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.745 2.695 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.847 0.749 -6.686 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.505 0.202 -8.231 1.00 0.00 H new ATOM 328 N GLU A 17 3.399 1.109 -6.436 1.00 0.00 N ATOM 329 CA GLU A 17 2.051 0.559 -6.519 1.00 0.00 C ATOM 330 C GLU A 17 1.065 1.410 -5.724 1.00 0.00 C ATOM 331 O GLU A 17 -0.012 1.750 -6.214 1.00 0.00 O ATOM 332 CB GLU A 17 2.031 -0.881 -6.001 1.00 0.00 C ATOM 333 CG GLU A 17 2.594 -1.890 -6.988 1.00 0.00 C ATOM 334 CD GLU A 17 3.764 -1.341 -7.781 1.00 0.00 C ATOM 335 OE1 GLU A 17 3.579 -0.326 -8.486 1.00 0.00 O ATOM 336 OE2 GLU A 17 4.864 -1.925 -7.697 1.00 0.00 O ATOM 0 H GLU A 17 4.141 0.409 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 17 1.748 0.566 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.603 -0.933 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.005 -1.157 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.912 -2.782 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.806 -2.198 -7.676 1.00 0.00 H new ATOM 343 N ILE A 18 1.443 1.751 -4.497 1.00 0.00 N ATOM 344 CA ILE A 18 0.593 2.562 -3.634 1.00 0.00 C ATOM 345 C ILE A 18 0.542 4.008 -4.116 1.00 0.00 C ATOM 346 O ILE A 18 -0.533 4.594 -4.243 1.00 0.00 O ATOM 347 CB ILE A 18 1.084 2.536 -2.175 1.00 0.00 C ATOM 348 CG1 ILE A 18 0.997 1.117 -1.610 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.270 3.501 -1.325 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.400 0.537 -1.646 1.00 0.00 C ATOM 0 H ILE A 18 2.332 1.478 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.407 2.130 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 18 2.127 2.853 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.666 0.468 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.353 1.122 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.629 3.471 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.378 4.512 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.781 3.212 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.387 -0.470 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.069 1.164 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.752 0.499 -2.677 1.00 0.00 H new ATOM 362 N ARG A 19 1.712 4.578 -4.385 1.00 0.00 N ATOM 363 CA ARG A 19 1.802 5.955 -4.854 1.00 0.00 C ATOM 364 C ARG A 19 0.874 6.186 -6.044 1.00 0.00 C ATOM 365 O ARG A 19 0.125 7.162 -6.079 1.00 0.00 O ATOM 366 CB ARG A 19 3.242 6.291 -5.245 1.00 0.00 C ATOM 367 CG ARG A 19 3.373 7.581 -6.037 1.00 0.00 C ATOM 368 CD ARG A 19 3.283 7.327 -7.534 1.00 0.00 C ATOM 369 NE ARG A 19 4.334 6.426 -8.000 1.00 0.00 N ATOM 370 CZ ARG A 19 4.552 6.154 -9.282 1.00 0.00 C ATOM 371 NH1 ARG A 19 3.798 6.710 -10.220 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.528 5.323 -9.628 1.00 0.00 N ATOM 0 H ARG A 19 2.611 4.107 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 19 1.492 6.610 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.847 6.367 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.651 5.470 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.588 8.275 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.325 8.057 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.308 6.901 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.355 8.275 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 19 4.933 5.982 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.047 7.349 -9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.969 6.499 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.111 4.893 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.695 5.114 -10.612 1.00 0.00 H new ATOM 386 N SER A 20 0.930 5.281 -7.015 1.00 0.00 N ATOM 387 CA SER A 20 0.098 5.388 -8.208 1.00 0.00 C ATOM 388 C SER A 20 -1.382 5.374 -7.841 1.00 0.00 C ATOM 389 O SER A 20 -2.150 6.233 -8.277 1.00 0.00 O ATOM 390 CB SER A 20 0.407 4.243 -9.175 1.00 0.00 C ATOM 391 OG SER A 20 -0.239 4.439 -10.421 1.00 0.00 O ATOM 0 H SER A 20 1.542 4.465 -6.999 1.00 0.00 H new ATOM 0 HA SER A 20 0.324 6.336 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.484 4.172 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.084 3.298 -8.739 1.00 0.00 H new ATOM 0 HG SER A 20 -0.024 3.695 -11.021 1.00 0.00 H new ATOM 397 N LEU A 21 -1.777 4.393 -7.038 1.00 0.00 N ATOM 398 CA LEU A 21 -3.166 4.265 -6.610 1.00 0.00 C ATOM 399 C LEU A 21 -3.748 5.625 -6.238 1.00 0.00 C ATOM 400 O LEU A 21 -4.960 5.831 -6.300 1.00 0.00 O ATOM 401 CB LEU A 21 -3.268 3.310 -5.420 1.00 0.00 C ATOM 402 CG LEU A 21 -3.240 1.818 -5.752 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.281 0.987 -4.479 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.400 1.453 -6.666 1.00 0.00 C ATOM 0 H LEU A 21 -1.155 3.674 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.741 3.860 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.447 3.525 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.193 3.525 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.309 1.599 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.260 -0.072 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.417 1.227 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.195 1.209 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.364 0.387 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.342 1.687 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.327 2.023 -7.592 1.00 0.00 H new ATOM 416 N PHE A 22 -2.876 6.551 -5.854 1.00 0.00 N ATOM 417 CA PHE A 22 -3.303 7.892 -5.473 1.00 0.00 C ATOM 418 C PHE A 22 -3.204 8.851 -6.655 1.00 0.00 C ATOM 419 O PHE A 22 -4.015 9.765 -6.796 1.00 0.00 O ATOM 420 CB PHE A 22 -2.455 8.409 -4.309 1.00 0.00 C ATOM 421 CG PHE A 22 -2.785 7.765 -2.993 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.927 8.128 -2.297 1.00 0.00 C ATOM 423 CD2 PHE A 22 -1.955 6.797 -2.453 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.233 7.537 -1.085 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.256 6.202 -1.242 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.397 6.572 -0.558 1.00 0.00 C ATOM 0 H PHE A 22 -1.869 6.397 -5.798 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.345 7.838 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.402 8.239 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.592 9.487 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.585 8.881 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.062 6.503 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.125 7.830 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.600 5.449 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.635 6.108 0.387 1.00 0.00 H new ATOM 436 N GLU A 23 -2.202 8.635 -7.502 1.00 0.00 N ATOM 437 CA GLU A 23 -1.995 9.481 -8.671 1.00 0.00 C ATOM 438 C GLU A 23 -3.244 9.513 -9.547 1.00 0.00 C ATOM 439 O GLU A 23 -3.405 10.401 -10.384 1.00 0.00 O ATOM 440 CB GLU A 23 -0.800 8.981 -9.486 1.00 0.00 C ATOM 441 CG GLU A 23 0.542 9.252 -8.827 1.00 0.00 C ATOM 442 CD GLU A 23 1.669 9.385 -9.832 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.595 8.737 -10.897 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.626 10.138 -9.553 1.00 0.00 O ATOM 0 H GLU A 23 -1.522 7.882 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.790 10.493 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.905 7.908 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.816 9.456 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.475 10.167 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.772 8.443 -8.134 1.00 0.00 H new ATOM 451 N GLN A 24 -4.125 8.538 -9.348 1.00 0.00 N ATOM 452 CA GLN A 24 -5.358 8.453 -10.121 1.00 0.00 C ATOM 453 C GLN A 24 -6.393 9.449 -9.605 1.00 0.00 C ATOM 454 O GLN A 24 -7.268 9.891 -10.350 1.00 0.00 O ATOM 455 CB GLN A 24 -5.926 7.034 -10.062 1.00 0.00 C ATOM 456 CG GLN A 24 -4.977 5.977 -10.604 1.00 0.00 C ATOM 457 CD GLN A 24 -5.381 4.571 -10.204 1.00 0.00 C ATOM 458 OE1 GLN A 24 -4.406 3.771 -9.788 1.00 0.00 O flip ATOM 459 NE2 GLN A 24 -6.555 4.208 -10.269 1.00 0.00 N flip ATOM 0 H GLN A 24 -4.008 7.796 -8.658 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.125 8.701 -11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.173 6.793 -9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.857 7.000 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.944 6.046 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.969 6.179 -10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.272 4.856 -10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.811 3.259 -9.997 1.00 0.00 H new ATOM 468 N TYR A 25 -6.286 9.797 -8.328 1.00 0.00 N ATOM 469 CA TYR A 25 -7.214 10.738 -7.712 1.00 0.00 C ATOM 470 C TYR A 25 -6.474 11.960 -7.175 1.00 0.00 C ATOM 471 O TYR A 25 -6.956 12.645 -6.274 1.00 0.00 O ATOM 472 CB TYR A 25 -7.987 10.058 -6.581 1.00 0.00 C ATOM 473 CG TYR A 25 -8.372 8.628 -6.884 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.417 7.619 -6.898 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.691 8.285 -7.156 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.764 6.311 -7.176 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.047 6.980 -7.434 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.080 5.996 -7.443 1.00 0.00 C ATOM 479 OH TYR A 25 -9.430 4.694 -7.719 1.00 0.00 O ATOM 0 H TYR A 25 -5.566 9.442 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.918 11.068 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.381 10.078 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.890 10.632 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.386 7.861 -6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.451 9.052 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.009 5.539 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.077 6.731 -7.643 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.395 4.642 -7.883 1.00 0.00 H new ATOM 489 N GLY A 26 -5.299 12.227 -7.738 1.00 0.00 N ATOM 490 CA GLY A 26 -4.511 13.366 -7.304 1.00 0.00 C ATOM 491 C GLY A 26 -3.029 13.054 -7.240 1.00 0.00 C ATOM 492 O GLY A 26 -2.635 11.946 -6.878 1.00 0.00 O ATOM 0 H GLY A 26 -4.879 11.675 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.675 14.199 -7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.854 13.688 -6.321 1.00 0.00 H new ATOM 496 N LYS A 27 -2.204 14.034 -7.594 1.00 0.00 N ATOM 497 CA LYS A 27 -0.757 13.861 -7.575 1.00 0.00 C ATOM 498 C LYS A 27 -0.252 13.647 -6.152 1.00 0.00 C ATOM 499 O LYS A 27 -0.727 14.285 -5.212 1.00 0.00 O ATOM 500 CB LYS A 27 -0.068 15.079 -8.194 1.00 0.00 C ATOM 501 CG LYS A 27 1.441 15.077 -8.025 1.00 0.00 C ATOM 502 CD LYS A 27 2.088 13.950 -8.813 1.00 0.00 C ATOM 503 CE LYS A 27 3.585 13.876 -8.552 1.00 0.00 C ATOM 504 NZ LYS A 27 4.356 14.723 -9.504 1.00 0.00 N ATOM 0 H LYS A 27 -2.514 14.957 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.515 12.976 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.306 15.119 -9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.474 15.984 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.847 16.033 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.690 14.973 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.623 13.002 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.910 14.100 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.792 14.196 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.918 12.841 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.372 14.646 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.179 14.401 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.057 15.714 -9.407 1.00 0.00 H new ATOM 518 N VAL A 28 0.713 12.746 -6.000 1.00 0.00 N ATOM 519 CA VAL A 28 1.284 12.451 -4.691 1.00 0.00 C ATOM 520 C VAL A 28 2.612 13.174 -4.494 1.00 0.00 C ATOM 521 O VAL A 28 3.371 13.370 -5.445 1.00 0.00 O ATOM 522 CB VAL A 28 1.503 10.938 -4.503 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.187 10.659 -3.173 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.180 10.193 -4.598 1.00 0.00 C ATOM 0 H VAL A 28 1.116 12.208 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 28 0.569 12.803 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 28 2.154 10.580 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.334 9.585 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.154 11.162 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.564 11.030 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.353 9.125 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.496 10.552 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.266 10.367 -5.577 1.00 0.00 H new ATOM 534 N LEU A 29 2.887 13.567 -3.256 1.00 0.00 N ATOM 535 CA LEU A 29 4.125 14.268 -2.933 1.00 0.00 C ATOM 536 C LEU A 29 5.118 13.334 -2.251 1.00 0.00 C ATOM 537 O LEU A 29 6.269 13.220 -2.673 1.00 0.00 O ATOM 538 CB LEU A 29 3.834 15.469 -2.031 1.00 0.00 C ATOM 539 CG LEU A 29 2.705 16.394 -2.487 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.600 17.601 -1.568 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.927 16.835 -3.927 1.00 0.00 C ATOM 0 H LEU A 29 2.270 13.412 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 29 4.568 14.620 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.593 15.099 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.746 16.059 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 29 1.766 15.843 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.791 18.248 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.394 17.267 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.539 18.154 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.114 17.493 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.874 17.369 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.951 15.960 -4.576 1.00 0.00 H new ATOM 553 N GLU A 30 4.665 12.665 -1.195 1.00 0.00 N ATOM 554 CA GLU A 30 5.515 11.739 -0.456 1.00 0.00 C ATOM 555 C GLU A 30 4.833 10.383 -0.298 1.00 0.00 C ATOM 556 O GLU A 30 3.607 10.299 -0.208 1.00 0.00 O ATOM 557 CB GLU A 30 5.857 12.313 0.920 1.00 0.00 C ATOM 558 CG GLU A 30 6.881 11.492 1.685 1.00 0.00 C ATOM 559 CD GLU A 30 7.450 12.234 2.879 1.00 0.00 C ATOM 560 OE1 GLU A 30 8.170 13.233 2.669 1.00 0.00 O ATOM 561 OE2 GLU A 30 7.175 11.816 4.023 1.00 0.00 O ATOM 0 H GLU A 30 3.715 12.747 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 30 6.436 11.600 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.236 13.328 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.944 12.383 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.418 10.566 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.694 11.215 1.014 1.00 0.00 H new ATOM 568 N CYS A 31 5.635 9.324 -0.267 1.00 0.00 N ATOM 569 CA CYS A 31 5.110 7.971 -0.121 1.00 0.00 C ATOM 570 C CYS A 31 6.141 7.055 0.530 1.00 0.00 C ATOM 571 O CYS A 31 7.142 6.693 -0.088 1.00 0.00 O ATOM 572 CB CYS A 31 4.700 7.411 -1.484 1.00 0.00 C ATOM 573 SG CYS A 31 6.039 7.372 -2.698 1.00 0.00 S ATOM 0 H CYS A 31 6.651 9.376 -0.341 1.00 0.00 H new ATOM 0 HA CYS A 31 4.232 8.016 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.317 6.400 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.882 8.012 -1.881 1.00 0.00 H new ATOM 0 HG CYS A 31 7.139 6.994 -2.118 1.00 0.00 H new ATOM 579 N ASP A 32 5.890 6.685 1.780 1.00 0.00 N ATOM 580 CA ASP A 32 6.797 5.811 2.516 1.00 0.00 C ATOM 581 C ASP A 32 6.036 4.654 3.157 1.00 0.00 C ATOM 582 O ASP A 32 5.013 4.858 3.810 1.00 0.00 O ATOM 583 CB ASP A 32 7.544 6.603 3.590 1.00 0.00 C ATOM 584 CG ASP A 32 8.898 6.005 3.914 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.323 5.076 3.196 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.534 6.465 4.886 1.00 0.00 O ATOM 0 H ASP A 32 5.066 6.976 2.306 1.00 0.00 H new ATOM 0 HA ASP A 32 7.519 5.401 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.676 7.631 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.940 6.639 4.497 1.00 0.00 H new ATOM 591 N ILE A 33 6.543 3.441 2.963 1.00 0.00 N ATOM 592 CA ILE A 33 5.911 2.252 3.522 1.00 0.00 C ATOM 593 C ILE A 33 6.795 1.608 4.585 1.00 0.00 C ATOM 594 O ILE A 33 7.822 1.005 4.270 1.00 0.00 O ATOM 595 CB ILE A 33 5.601 1.212 2.429 1.00 0.00 C ATOM 596 CG1 ILE A 33 4.639 1.800 1.394 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.016 -0.048 3.048 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.351 0.867 0.239 1.00 0.00 C ATOM 0 H ILE A 33 7.389 3.256 2.424 1.00 0.00 H new ATOM 0 HA ILE A 33 4.976 2.577 3.978 1.00 0.00 H new ATOM 0 HB ILE A 33 6.531 0.948 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.701 2.056 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.059 2.728 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.802 -0.773 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.732 -0.474 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.094 0.199 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.663 1.349 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.281 0.630 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.902 -0.052 0.617 1.00 0.00 H new ATOM 610 N ILE A 34 6.389 1.738 5.843 1.00 0.00 N ATOM 611 CA ILE A 34 7.142 1.166 6.952 1.00 0.00 C ATOM 612 C ILE A 34 6.211 0.673 8.054 1.00 0.00 C ATOM 613 O ILE A 34 5.059 1.099 8.146 1.00 0.00 O ATOM 614 CB ILE A 34 8.129 2.187 7.548 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.779 3.012 6.435 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.189 1.478 8.377 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.399 4.302 6.923 1.00 0.00 C ATOM 0 H ILE A 34 5.542 2.235 6.120 1.00 0.00 H new ATOM 0 HA ILE A 34 7.703 0.322 6.550 1.00 0.00 H new ATOM 0 HB ILE A 34 7.578 2.864 8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.547 2.410 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.028 3.242 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.879 2.213 8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.710 0.932 9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.739 0.780 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.841 4.835 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.631 4.924 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.173 4.079 7.657 1.00 0.00 H new ATOM 629 N LYS A 35 6.716 -0.228 8.889 1.00 0.00 N ATOM 630 CA LYS A 35 5.932 -0.779 9.988 1.00 0.00 C ATOM 631 C LYS A 35 4.539 -1.182 9.514 1.00 0.00 C ATOM 632 O LYS A 35 3.533 -0.752 10.076 1.00 0.00 O ATOM 633 CB LYS A 35 5.819 0.242 11.123 1.00 0.00 C ATOM 634 CG LYS A 35 7.018 0.248 12.056 1.00 0.00 C ATOM 635 CD LYS A 35 6.804 1.185 13.233 1.00 0.00 C ATOM 636 CE LYS A 35 8.062 1.316 14.078 1.00 0.00 C ATOM 637 NZ LYS A 35 7.967 2.446 15.042 1.00 0.00 N ATOM 0 H LYS A 35 7.666 -0.593 8.826 1.00 0.00 H new ATOM 0 HA LYS A 35 6.444 -1.668 10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.697 1.237 10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.920 0.032 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.200 -0.762 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.908 0.552 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.506 2.168 12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.987 0.814 13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.232 0.387 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.923 1.466 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.844 2.502 15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.830 3.336 14.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.161 2.291 15.680 1.00 0.00 H new ATOM 651 N ASN A 36 4.490 -2.012 8.477 1.00 0.00 N ATOM 652 CA ASN A 36 3.220 -2.475 7.928 1.00 0.00 C ATOM 653 C ASN A 36 2.268 -1.305 7.700 1.00 0.00 C ATOM 654 O ASN A 36 1.049 -1.477 7.687 1.00 0.00 O ATOM 655 CB ASN A 36 2.576 -3.496 8.867 1.00 0.00 C ATOM 656 CG ASN A 36 3.603 -4.358 9.576 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.146 -3.971 10.611 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.875 -5.532 9.019 1.00 0.00 N ATOM 0 H ASN A 36 5.314 -2.378 8.000 1.00 0.00 H new ATOM 0 HA ASN A 36 3.419 -2.951 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.971 -2.973 9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.901 -4.134 8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.559 -6.155 9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.400 -5.811 8.161 1.00 0.00 H new ATOM 665 N TYR A 37 2.833 -0.116 7.520 1.00 0.00 N ATOM 666 CA TYR A 37 2.034 1.083 7.294 1.00 0.00 C ATOM 667 C TYR A 37 2.627 1.929 6.171 1.00 0.00 C ATOM 668 O TYR A 37 3.818 1.843 5.876 1.00 0.00 O ATOM 669 CB TYR A 37 1.944 1.910 8.577 1.00 0.00 C ATOM 670 CG TYR A 37 3.143 2.803 8.808 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.423 3.858 7.949 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.995 2.590 9.884 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.517 4.676 8.155 1.00 0.00 C ATOM 674 CE2 TYR A 37 5.091 3.404 10.099 1.00 0.00 C ATOM 675 CZ TYR A 37 5.348 4.445 9.232 1.00 0.00 C ATOM 676 OH TYR A 37 6.439 5.257 9.441 1.00 0.00 O ATOM 0 H TYR A 37 3.840 0.043 7.526 1.00 0.00 H new ATOM 0 HA TYR A 37 1.032 0.771 6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.045 2.525 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.834 1.236 9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.774 4.042 7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.798 1.775 10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.721 5.492 7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.743 3.226 10.942 1.00 0.00 H new ATOM 0 HH TYR A 37 6.286 6.126 9.015 1.00 0.00 H new ATOM 686 N GLY A 38 1.785 2.748 5.548 1.00 0.00 N ATOM 687 CA GLY A 38 2.242 3.598 4.464 1.00 0.00 C ATOM 688 C GLY A 38 1.645 4.990 4.529 1.00 0.00 C ATOM 689 O GLY A 38 0.434 5.148 4.687 1.00 0.00 O ATOM 0 H GLY A 38 0.795 2.838 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.329 3.670 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.981 3.138 3.511 1.00 0.00 H new ATOM 693 N PHE A 39 2.496 6.003 4.407 1.00 0.00 N ATOM 694 CA PHE A 39 2.046 7.390 4.455 1.00 0.00 C ATOM 695 C PHE A 39 2.069 8.017 3.065 1.00 0.00 C ATOM 696 O PHE A 39 3.100 8.027 2.392 1.00 0.00 O ATOM 697 CB PHE A 39 2.926 8.201 5.408 1.00 0.00 C ATOM 698 CG PHE A 39 2.913 7.689 6.820 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.754 7.168 7.371 1.00 0.00 C ATOM 700 CD2 PHE A 39 4.061 7.727 7.595 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.738 6.695 8.670 1.00 0.00 C ATOM 702 CE2 PHE A 39 4.051 7.255 8.894 1.00 0.00 C ATOM 703 CZ PHE A 39 2.889 6.740 9.433 1.00 0.00 C ATOM 0 H PHE A 39 3.501 5.890 4.274 1.00 0.00 H new ATOM 0 HA PHE A 39 1.020 7.401 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.951 8.194 5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.592 9.239 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.852 7.131 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.973 8.130 7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.828 6.291 9.088 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.953 7.289 9.488 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.880 6.373 10.449 1.00 0.00 H new ATOM 713 N VAL A 40 0.923 8.541 2.639 1.00 0.00 N ATOM 714 CA VAL A 40 0.811 9.171 1.329 1.00 0.00 C ATOM 715 C VAL A 40 0.324 10.610 1.452 1.00 0.00 C ATOM 716 O VAL A 40 -0.763 10.867 1.971 1.00 0.00 O ATOM 717 CB VAL A 40 -0.151 8.392 0.412 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.374 9.145 -0.890 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.386 6.993 0.144 1.00 0.00 C ATOM 0 H VAL A 40 0.060 8.541 3.182 1.00 0.00 H new ATOM 0 HA VAL A 40 1.808 9.164 0.888 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.112 8.297 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.056 8.580 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.805 10.123 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.579 9.273 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.305 6.456 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.359 7.064 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.489 6.456 1.087 1.00 0.00 H new ATOM 729 N HIS A 41 1.135 11.547 0.970 1.00 0.00 N ATOM 730 CA HIS A 41 0.786 12.962 1.025 1.00 0.00 C ATOM 731 C HIS A 41 0.263 13.445 -0.324 1.00 0.00 C ATOM 732 O HIS A 41 1.040 13.795 -1.213 1.00 0.00 O ATOM 733 CB HIS A 41 2.000 13.793 1.441 1.00 0.00 C ATOM 734 CG HIS A 41 2.623 13.341 2.727 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.147 12.078 2.906 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.804 13.992 3.899 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.623 11.972 4.133 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.428 13.120 4.757 1.00 0.00 N ATOM 0 H HIS A 41 2.038 11.352 0.537 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.002 13.088 1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.748 13.750 0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.700 14.836 1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.512 15.008 4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.092 11.096 4.555 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.697 13.325 5.719 1.00 0.00 H new ATOM 746 N ILE A 42 -1.058 13.461 -0.470 1.00 0.00 N ATOM 747 CA ILE A 42 -1.684 13.902 -1.711 1.00 0.00 C ATOM 748 C ILE A 42 -1.556 15.411 -1.885 1.00 0.00 C ATOM 749 O ILE A 42 -1.185 16.124 -0.953 1.00 0.00 O ATOM 750 CB ILE A 42 -3.174 13.515 -1.758 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.681 13.529 -3.201 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.994 14.460 -0.893 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.946 12.724 -3.405 1.00 0.00 C ATOM 0 H ILE A 42 -1.715 13.174 0.255 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.161 13.400 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.285 12.505 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.863 14.560 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.902 13.138 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.045 14.174 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.645 14.404 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.880 15.480 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.247 12.779 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.763 11.684 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.740 13.128 -2.777 1.00 0.00 H new ATOM 765 N GLU A 43 -1.868 15.891 -3.085 1.00 0.00 N ATOM 766 CA GLU A 43 -1.789 17.317 -3.380 1.00 0.00 C ATOM 767 C GLU A 43 -2.791 18.103 -2.539 1.00 0.00 C ATOM 768 O GLU A 43 -2.417 18.773 -1.575 1.00 0.00 O ATOM 769 CB GLU A 43 -2.049 17.567 -4.867 1.00 0.00 C ATOM 770 CG GLU A 43 -2.499 18.985 -5.176 1.00 0.00 C ATOM 771 CD GLU A 43 -2.098 19.434 -6.568 1.00 0.00 C ATOM 772 OE1 GLU A 43 -1.216 18.785 -7.169 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.665 20.434 -7.056 1.00 0.00 O ATOM 0 H GLU A 43 -2.177 15.314 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.784 17.659 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.139 17.353 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.810 16.869 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.583 19.048 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.071 19.666 -4.441 1.00 0.00 H new ATOM 780 N ASP A 44 -4.063 18.017 -2.910 1.00 0.00 N ATOM 781 CA ASP A 44 -5.119 18.720 -2.191 1.00 0.00 C ATOM 782 C ASP A 44 -6.009 17.737 -1.436 1.00 0.00 C ATOM 783 O ASP A 44 -6.188 16.594 -1.859 1.00 0.00 O ATOM 784 CB ASP A 44 -5.961 19.550 -3.160 1.00 0.00 C ATOM 785 CG ASP A 44 -6.475 18.731 -4.328 1.00 0.00 C ATOM 786 OD1 ASP A 44 -5.642 18.218 -5.104 1.00 0.00 O ATOM 787 OD2 ASP A 44 -7.710 18.604 -4.467 1.00 0.00 O ATOM 0 H ASP A 44 -4.388 17.467 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.650 19.387 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.806 19.983 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.363 20.380 -3.537 1.00 0.00 H new ATOM 792 N LYS A 45 -6.565 18.189 -0.317 1.00 0.00 N ATOM 793 CA LYS A 45 -7.437 17.351 0.497 1.00 0.00 C ATOM 794 C LYS A 45 -8.540 16.727 -0.353 1.00 0.00 C ATOM 795 O LYS A 45 -8.750 15.513 -0.323 1.00 0.00 O ATOM 796 CB LYS A 45 -8.056 18.172 1.630 1.00 0.00 C ATOM 797 CG LYS A 45 -9.140 17.433 2.396 1.00 0.00 C ATOM 798 CD LYS A 45 -10.110 18.397 3.058 1.00 0.00 C ATOM 799 CE LYS A 45 -9.628 18.811 4.440 1.00 0.00 C ATOM 800 NZ LYS A 45 -10.385 19.982 4.963 1.00 0.00 N ATOM 0 H LYS A 45 -6.427 19.132 0.047 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.834 16.550 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.270 18.468 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.476 19.088 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.684 16.777 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.682 16.798 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.229 19.282 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.091 17.929 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.735 17.973 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.566 19.055 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.027 20.233 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.263 20.790 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.395 19.741 5.029 1.00 0.00 H new ATOM 814 N THR A 46 -9.241 17.563 -1.112 1.00 0.00 N ATOM 815 CA THR A 46 -10.322 17.093 -1.970 1.00 0.00 C ATOM 816 C THR A 46 -9.888 15.880 -2.785 1.00 0.00 C ATOM 817 O THR A 46 -10.662 14.944 -2.982 1.00 0.00 O ATOM 818 CB THR A 46 -10.798 18.199 -2.930 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.214 19.349 -2.184 1.00 0.00 O ATOM 820 CG2 THR A 46 -11.948 17.706 -3.795 1.00 0.00 C ATOM 0 H THR A 46 -9.080 18.569 -1.150 1.00 0.00 H new ATOM 0 HA THR A 46 -11.147 16.811 -1.315 1.00 0.00 H new ATOM 0 HB THR A 46 -9.966 18.469 -3.580 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.514 20.049 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.267 18.504 -4.465 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.620 16.849 -4.383 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.782 17.411 -3.158 1.00 0.00 H new ATOM 828 N ALA A 47 -8.646 15.904 -3.257 1.00 0.00 N ATOM 829 CA ALA A 47 -8.109 14.804 -4.049 1.00 0.00 C ATOM 830 C ALA A 47 -8.015 13.526 -3.222 1.00 0.00 C ATOM 831 O ALA A 47 -8.088 12.421 -3.759 1.00 0.00 O ATOM 832 CB ALA A 47 -6.744 15.174 -4.609 1.00 0.00 C ATOM 0 H ALA A 47 -7.993 16.673 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.792 14.619 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.355 14.343 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.838 16.056 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.060 15.388 -3.788 1.00 0.00 H new ATOM 838 N ALA A 48 -7.852 13.685 -1.913 1.00 0.00 N ATOM 839 CA ALA A 48 -7.750 12.544 -1.012 1.00 0.00 C ATOM 840 C ALA A 48 -9.104 11.870 -0.824 1.00 0.00 C ATOM 841 O ALA A 48 -9.288 10.711 -1.195 1.00 0.00 O ATOM 842 CB ALA A 48 -7.184 12.981 0.331 1.00 0.00 C ATOM 0 H ALA A 48 -7.788 14.593 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.072 11.818 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.113 12.119 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.192 13.409 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.840 13.728 0.777 1.00 0.00 H new ATOM 848 N GLU A 49 -10.050 12.603 -0.244 1.00 0.00 N ATOM 849 CA GLU A 49 -11.387 12.073 -0.005 1.00 0.00 C ATOM 850 C GLU A 49 -11.867 11.250 -1.197 1.00 0.00 C ATOM 851 O GLU A 49 -12.570 10.253 -1.034 1.00 0.00 O ATOM 852 CB GLU A 49 -12.370 13.213 0.271 1.00 0.00 C ATOM 853 CG GLU A 49 -13.506 12.826 1.202 1.00 0.00 C ATOM 854 CD GLU A 49 -14.705 12.270 0.460 1.00 0.00 C ATOM 855 OE1 GLU A 49 -15.464 13.071 -0.125 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.885 11.034 0.463 1.00 0.00 O ATOM 0 H GLU A 49 -9.915 13.564 0.069 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.341 11.423 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.827 14.053 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.788 13.558 -0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.149 12.083 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.813 13.699 1.777 1.00 0.00 H new ATOM 863 N ASP A 50 -11.484 11.677 -2.395 1.00 0.00 N ATOM 864 CA ASP A 50 -11.874 10.980 -3.616 1.00 0.00 C ATOM 865 C ASP A 50 -11.251 9.589 -3.670 1.00 0.00 C ATOM 866 O ASP A 50 -11.943 8.596 -3.892 1.00 0.00 O ATOM 867 CB ASP A 50 -11.457 11.788 -4.845 1.00 0.00 C ATOM 868 CG ASP A 50 -12.532 12.759 -5.293 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.237 13.306 -4.420 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.669 12.970 -6.516 1.00 0.00 O ATOM 0 H ASP A 50 -10.904 12.502 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.959 10.872 -3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.544 12.340 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.224 11.106 -5.663 1.00 0.00 H new ATOM 875 N ALA A 51 -9.939 9.526 -3.468 1.00 0.00 N ATOM 876 CA ALA A 51 -9.223 8.256 -3.493 1.00 0.00 C ATOM 877 C ALA A 51 -9.494 7.448 -2.229 1.00 0.00 C ATOM 878 O ALA A 51 -10.005 6.329 -2.295 1.00 0.00 O ATOM 879 CB ALA A 51 -7.729 8.496 -3.658 1.00 0.00 C ATOM 0 H ALA A 51 -9.351 10.339 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.584 7.680 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.207 7.540 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.547 9.026 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.362 9.095 -2.824 1.00 0.00 H new ATOM 885 N ILE A 52 -9.148 8.020 -1.081 1.00 0.00 N ATOM 886 CA ILE A 52 -9.355 7.351 0.198 1.00 0.00 C ATOM 887 C ILE A 52 -10.640 6.530 0.187 1.00 0.00 C ATOM 888 O ILE A 52 -10.611 5.310 0.351 1.00 0.00 O ATOM 889 CB ILE A 52 -9.416 8.362 1.358 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.086 9.110 1.481 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.753 7.653 2.661 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.137 10.278 2.441 1.00 0.00 C ATOM 0 H ILE A 52 -8.723 8.945 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.503 6.687 0.349 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.202 9.087 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.315 8.413 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.789 9.472 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.792 8.381 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.721 7.161 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.987 6.909 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.161 10.761 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.884 10.995 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.403 9.920 3.436 1.00 0.00 H new ATOM 904 N ARG A 53 -11.767 7.206 -0.010 1.00 0.00 N ATOM 905 CA ARG A 53 -13.063 6.539 -0.043 1.00 0.00 C ATOM 906 C ARG A 53 -12.974 5.216 -0.799 1.00 0.00 C ATOM 907 O ARG A 53 -13.264 4.155 -0.248 1.00 0.00 O ATOM 908 CB ARG A 53 -14.109 7.443 -0.697 1.00 0.00 C ATOM 909 CG ARG A 53 -15.532 7.151 -0.250 1.00 0.00 C ATOM 910 CD ARG A 53 -16.545 7.946 -1.059 1.00 0.00 C ATOM 911 NE ARG A 53 -16.978 7.225 -2.253 1.00 0.00 N ATOM 912 CZ ARG A 53 -17.766 6.156 -2.221 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.204 5.686 -1.062 1.00 0.00 N ATOM 914 NH2 ARG A 53 -18.117 5.555 -3.351 1.00 0.00 N ATOM 0 H ARG A 53 -11.809 8.216 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.363 6.332 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.872 8.482 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.047 7.332 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.736 6.086 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.639 7.393 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.411 8.170 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.107 8.901 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.658 7.561 -3.161 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.936 6.145 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.809 4.865 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.782 5.914 -4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.722 4.734 -3.325 1.00 0.00 H new ATOM 928 N ASN A 54 -12.572 5.289 -2.064 1.00 0.00 N ATOM 929 CA ASN A 54 -12.447 4.098 -2.895 1.00 0.00 C ATOM 930 C ASN A 54 -11.384 3.156 -2.339 1.00 0.00 C ATOM 931 O ASN A 54 -11.700 2.096 -1.797 1.00 0.00 O ATOM 932 CB ASN A 54 -12.096 4.489 -4.333 1.00 0.00 C ATOM 933 CG ASN A 54 -13.274 5.097 -5.070 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.234 4.405 -5.408 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.204 6.399 -5.323 1.00 0.00 N ATOM 0 H ASN A 54 -12.328 6.160 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.406 3.579 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.271 5.201 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.749 3.607 -4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.966 6.864 -5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.388 6.934 -5.024 1.00 0.00 H new ATOM 942 N LEU A 55 -10.122 3.549 -2.477 1.00 0.00 N ATOM 943 CA LEU A 55 -9.011 2.740 -1.988 1.00 0.00 C ATOM 944 C LEU A 55 -9.402 1.988 -0.719 1.00 0.00 C ATOM 945 O LEU A 55 -9.028 0.830 -0.532 1.00 0.00 O ATOM 946 CB LEU A 55 -7.792 3.624 -1.715 1.00 0.00 C ATOM 947 CG LEU A 55 -7.070 4.170 -2.947 1.00 0.00 C ATOM 948 CD1 LEU A 55 -6.060 5.234 -2.547 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.387 3.043 -3.708 1.00 0.00 C ATOM 0 H LEU A 55 -9.843 4.423 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.759 2.011 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.110 4.467 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.078 3.051 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.809 4.629 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.556 5.611 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.575 6.054 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.324 4.801 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.878 3.450 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.660 2.554 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.133 2.316 -4.029 1.00 0.00 H new ATOM 961 N HIS A 56 -10.157 2.654 0.148 1.00 0.00 N ATOM 962 CA HIS A 56 -10.602 2.048 1.398 1.00 0.00 C ATOM 963 C HIS A 56 -11.116 0.631 1.162 1.00 0.00 C ATOM 964 O HIS A 56 -12.032 0.417 0.367 1.00 0.00 O ATOM 965 CB HIS A 56 -11.696 2.900 2.042 1.00 0.00 C ATOM 966 CG HIS A 56 -11.776 2.747 3.530 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.695 2.395 4.310 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.817 2.901 4.381 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.067 2.338 5.576 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.351 2.642 5.646 1.00 0.00 N ATOM 0 H HIS A 56 -10.474 3.613 0.008 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.748 1.998 2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.517 3.948 1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.658 2.632 1.605 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.827 3.176 4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.430 2.086 6.411 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.906 2.678 6.501 1.00 0.00 H new ATOM 978 N HIS A 57 -10.521 -0.333 1.856 1.00 0.00 N ATOM 979 CA HIS A 57 -10.920 -1.730 1.722 1.00 0.00 C ATOM 980 C HIS A 57 -10.669 -2.232 0.303 1.00 0.00 C ATOM 981 O HIS A 57 -11.444 -3.026 -0.231 1.00 0.00 O ATOM 982 CB HIS A 57 -12.396 -1.898 2.081 1.00 0.00 C ATOM 983 CG HIS A 57 -12.706 -1.569 3.509 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.773 -2.113 4.192 1.00 0.00 N ATOM 985 CD2 HIS A 57 -12.080 -0.747 4.384 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.791 -1.639 5.425 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.774 -0.808 5.568 1.00 0.00 N ATOM 0 H HIS A 57 -9.761 -0.173 2.517 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.317 -2.322 2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.994 -1.259 1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.695 -2.927 1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.199 -0.154 4.188 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.515 -1.889 6.187 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.542 -0.295 6.419 1.00 0.00 H new ATOM 995 N TYR A 58 -9.584 -1.763 -0.302 1.00 0.00 N ATOM 996 CA TYR A 58 -9.233 -2.162 -1.660 1.00 0.00 C ATOM 997 C TYR A 58 -8.534 -3.518 -1.667 1.00 0.00 C ATOM 998 O TYR A 58 -7.838 -3.876 -0.716 1.00 0.00 O ATOM 999 CB TYR A 58 -8.332 -1.108 -2.307 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.694 -1.568 -3.599 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.556 -2.364 -3.590 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.231 -1.206 -4.828 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -5.969 -2.785 -4.767 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.652 -1.624 -6.011 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.521 -2.413 -5.975 1.00 0.00 C ATOM 1006 OH TYR A 58 -5.941 -2.831 -7.151 1.00 0.00 O ATOM 0 H TYR A 58 -8.932 -1.106 0.126 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.155 -2.246 -2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.919 -0.210 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.548 -0.831 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.122 -2.659 -2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.116 -0.588 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.083 -3.402 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.082 -1.335 -6.958 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.454 -2.483 -7.910 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.724 -4.269 -2.746 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.111 -5.585 -2.880 1.00 0.00 C ATOM 1018 C LYS A 59 -6.742 -5.483 -3.545 1.00 0.00 C ATOM 1019 O LYS A 59 -6.641 -5.354 -4.766 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.017 -6.511 -3.695 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.698 -7.986 -3.516 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.825 -8.866 -4.029 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.507 -10.342 -3.844 1.00 0.00 C ATOM 1024 NZ LYS A 59 -8.387 -10.783 -4.721 1.00 0.00 N ATOM 0 H LYS A 59 -9.298 -3.989 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.980 -6.000 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.054 -6.335 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.929 -6.254 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.777 -8.227 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.523 -8.196 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.747 -8.622 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.998 -8.659 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.248 -10.530 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.395 -10.935 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.290 -11.817 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.585 -10.505 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.503 -10.335 -4.406 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.690 -5.543 -2.736 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.326 -5.459 -3.246 1.00 0.00 C ATOM 1040 C LEU A 60 -3.530 -6.708 -2.881 1.00 0.00 C ATOM 1041 O LEU A 60 -3.041 -6.839 -1.758 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.629 -4.216 -2.691 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.253 -3.899 -3.278 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.377 -3.490 -4.737 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.568 -2.806 -2.472 1.00 0.00 C ATOM 0 H LEU A 60 -5.756 -5.650 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.374 -5.386 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.279 -3.356 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.523 -4.334 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.640 -4.799 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.388 -3.268 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.825 -4.304 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.007 -2.604 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.590 -2.594 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.178 -1.903 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.445 -3.137 -1.441 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.403 -7.623 -3.837 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.663 -8.860 -3.617 1.00 0.00 C ATOM 1059 C HIS A 61 -3.429 -9.792 -2.682 1.00 0.00 C ATOM 1060 O HIS A 61 -2.840 -10.450 -1.826 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.282 -8.558 -3.034 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.572 -7.437 -3.730 1.00 0.00 C ATOM 1063 ND1 HIS A 61 0.162 -6.412 -3.236 1.00 0.00 N flip ATOM 1064 CD2 HIS A 61 -0.570 -7.283 -5.100 1.00 0.00 C flip ATOM 1065 CE1 HIS A 61 0.590 -5.665 -4.306 1.00 0.00 C flip ATOM 1066 NE2 HIS A 61 0.135 -6.212 -5.419 1.00 0.00 N flip ATOM 0 H HIS A 61 -3.803 -7.531 -4.771 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.542 -9.357 -4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.388 -8.310 -1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.668 -9.457 -3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.067 -7.936 -5.803 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.199 -4.775 -4.247 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.300 -5.866 -6.364 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.747 -9.842 -2.853 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.571 -10.695 -2.017 1.00 0.00 C ATOM 1076 C GLY A 62 -5.654 -10.200 -0.587 1.00 0.00 C ATOM 1077 O GLY A 62 -5.765 -10.994 0.347 1.00 0.00 O ATOM 0 H GLY A 62 -5.258 -9.307 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.575 -10.750 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.166 -11.707 -2.025 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.599 -8.883 -0.414 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.667 -8.283 0.913 1.00 0.00 C ATOM 1083 C VAL A 63 -6.547 -7.038 0.909 1.00 0.00 C ATOM 1084 O VAL A 63 -6.642 -6.336 -0.097 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.267 -7.906 1.432 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.781 -6.623 0.776 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.279 -7.768 2.947 1.00 0.00 C ATOM 0 H VAL A 63 -5.508 -8.211 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.103 -9.031 1.576 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.574 -8.705 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.790 -6.373 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.731 -6.763 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.473 -5.812 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.281 -7.501 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.985 -6.989 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.579 -8.715 3.396 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.189 -6.769 2.041 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.062 -5.608 2.168 1.00 0.00 C ATOM 1099 C ASN A 64 -7.414 -4.533 3.035 1.00 0.00 C ATOM 1100 O ASN A 64 -7.679 -4.446 4.235 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.409 -6.019 2.767 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.065 -7.146 1.993 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.978 -8.312 2.378 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.727 -6.802 0.894 1.00 0.00 N ATOM 0 H ASN A 64 -7.121 -7.339 2.884 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.226 -5.197 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.264 -6.329 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.075 -5.156 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.189 -7.517 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.773 -5.823 0.612 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.566 -3.716 2.420 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.882 -2.646 3.135 1.00 0.00 C ATOM 1113 C ILE A 65 -6.880 -1.692 3.783 1.00 0.00 C ATOM 1114 O ILE A 65 -8.086 -1.794 3.559 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.956 -1.845 2.200 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.783 -1.028 1.206 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.008 -2.781 1.466 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.005 0.089 0.547 1.00 0.00 C ATOM 0 H ILE A 65 -6.336 -3.775 1.428 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.280 -3.120 3.910 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.362 -1.157 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.171 -1.694 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.644 -0.604 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.360 -2.201 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.399 -3.323 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.584 -3.491 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.654 0.626 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.640 0.777 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.160 -0.329 0.001 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.369 -0.764 4.585 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.216 0.210 5.264 1.00 0.00 C ATOM 1132 C ASN A 66 -6.695 1.628 5.048 1.00 0.00 C ATOM 1133 O ASN A 66 -5.519 1.911 5.278 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.284 -0.098 6.761 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.113 -1.332 7.060 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.994 -1.704 6.285 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.836 -1.972 8.190 1.00 0.00 N ATOM 0 H ASN A 66 -5.373 -0.666 4.781 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.218 0.141 4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.274 -0.240 7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.708 0.758 7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.362 -2.808 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.097 -1.628 8.803 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.579 2.517 4.606 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.210 3.906 4.361 1.00 0.00 C ATOM 1146 C VAL A 67 -7.945 4.845 5.310 1.00 0.00 C ATOM 1147 O VAL A 67 -9.165 4.769 5.452 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.514 4.319 2.909 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.909 5.681 2.604 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.999 3.268 1.937 1.00 0.00 C ATOM 0 H VAL A 67 -8.556 2.300 4.410 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.137 3.985 4.536 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.595 4.393 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.134 5.957 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.331 6.426 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.828 5.638 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.223 3.576 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.921 3.160 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.484 2.314 2.142 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.194 5.732 5.956 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.776 6.687 6.892 1.00 0.00 C ATOM 1162 C GLU A 68 -6.950 7.968 6.945 1.00 0.00 C ATOM 1163 O GLU A 68 -5.720 7.926 6.976 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.873 6.071 8.289 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.608 5.351 8.726 1.00 0.00 C ATOM 1166 CD GLU A 68 -6.760 4.669 10.072 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.763 3.951 10.265 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -5.874 4.854 10.933 1.00 0.00 O ATOM 0 H GLU A 68 -6.183 5.809 5.848 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.778 6.936 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.100 6.857 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.706 5.369 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.339 4.608 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.786 6.066 8.776 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.635 9.107 6.955 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.966 10.401 7.006 1.00 0.00 C ATOM 1177 C ALA A 69 -6.202 10.573 8.315 1.00 0.00 C ATOM 1178 O ALA A 69 -6.576 10.007 9.342 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.976 11.525 6.831 1.00 0.00 C ATOM 0 H ALA A 69 -8.653 9.160 6.928 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.247 10.443 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.462 12.485 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.474 11.420 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.717 11.476 7.629 1.00 0.00 H new