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 Set 1.1: A 56 HIS : no HD1:sc= -4.23! C(o=-9!,f=-15!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -4.82! C(o=-9!,f=-9.4!) USER MOD Set 2.1: A 24 GLN : amide:sc= -4.33! C(o=-3.8!,f=-5.1!) USER MOD Set 2.2: A 25 TYR OH : rot 79:sc= 0.485 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.0019) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 16 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 20 SER OG : 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 170:sc= -1.03 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.039) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0488 F(o=-0.6,f=-0.049) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.2) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.751 16.760 2.212 1.00 0.00 N ATOM 84 CA VAL A 2 -2.510 15.988 3.189 1.00 0.00 C ATOM 85 C VAL A 2 -1.975 14.564 3.298 1.00 0.00 C ATOM 86 O VAL A 2 -1.957 13.819 2.318 1.00 0.00 O ATOM 87 CB VAL A 2 -4.005 15.937 2.824 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.786 15.166 3.878 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.561 17.343 2.660 1.00 0.00 C ATOM 0 HA VAL A 2 -2.395 16.491 4.149 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.112 15.415 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.840 15.140 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.403 14.148 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.675 15.657 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.619 17.288 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.443 17.892 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.020 17.858 1.866 1.00 0.00 H new ATOM 99 N LYS A 3 -1.542 14.191 4.497 1.00 0.00 N ATOM 100 CA LYS A 3 -1.008 12.855 4.737 1.00 0.00 C ATOM 101 C LYS A 3 -2.136 11.841 4.902 1.00 0.00 C ATOM 102 O LYS A 3 -3.221 12.176 5.378 1.00 0.00 O ATOM 103 CB LYS A 3 -0.120 12.855 5.983 1.00 0.00 C ATOM 104 CG LYS A 3 0.571 11.526 6.237 1.00 0.00 C ATOM 105 CD LYS A 3 0.959 11.369 7.698 1.00 0.00 C ATOM 106 CE LYS A 3 2.342 11.939 7.971 1.00 0.00 C ATOM 107 NZ LYS A 3 2.516 12.311 9.403 1.00 0.00 N ATOM 0 H LYS A 3 -1.550 14.795 5.319 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.409 12.568 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.635 13.634 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.727 13.111 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.090 10.710 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.462 11.453 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.226 11.874 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.939 10.314 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.099 11.206 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.503 12.817 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.471 12.695 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.810 13.029 9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.388 11.468 9.999 1.00 0.00 H new ATOM 121 N LEU A 4 -1.871 10.600 4.509 1.00 0.00 N ATOM 122 CA LEU A 4 -2.863 9.536 4.615 1.00 0.00 C ATOM 123 C LEU A 4 -2.247 8.275 5.214 1.00 0.00 C ATOM 124 O LEU A 4 -1.225 7.783 4.735 1.00 0.00 O ATOM 125 CB LEU A 4 -3.455 9.224 3.240 1.00 0.00 C ATOM 126 CG LEU A 4 -4.109 10.397 2.509 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.249 10.091 1.026 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.466 10.715 3.120 1.00 0.00 C ATOM 0 H LEU A 4 -0.978 10.306 4.114 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.658 9.880 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.662 8.824 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.198 8.435 3.357 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.468 11.272 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.716 10.937 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.263 9.913 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.868 9.203 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.917 11.552 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.114 9.842 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.339 10.978 4.170 1.00 0.00 H new ATOM 140 N PHE A 5 -2.876 7.756 6.263 1.00 0.00 N ATOM 141 CA PHE A 5 -2.391 6.552 6.927 1.00 0.00 C ATOM 142 C PHE A 5 -2.915 5.299 6.231 1.00 0.00 C ATOM 143 O PHE A 5 -4.111 5.180 5.961 1.00 0.00 O ATOM 144 CB PHE A 5 -2.816 6.548 8.397 1.00 0.00 C ATOM 145 CG PHE A 5 -2.772 5.186 9.030 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.575 4.660 9.490 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.926 4.432 9.164 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.531 3.408 10.073 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.889 3.180 9.747 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.689 2.666 10.201 1.00 0.00 C ATOM 0 H PHE A 5 -3.723 8.151 6.672 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.302 6.550 6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.166 7.221 8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.829 6.944 8.475 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.666 5.235 9.392 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.866 4.827 8.809 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.592 3.010 10.428 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.797 2.604 9.848 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.657 1.686 10.655 1.00 0.00 H new ATOM 160 N ILE A 6 -2.012 4.368 5.943 1.00 0.00 N ATOM 161 CA ILE A 6 -2.382 3.124 5.279 1.00 0.00 C ATOM 162 C ILE A 6 -1.896 1.913 6.069 1.00 0.00 C ATOM 163 O ILE A 6 -0.710 1.587 6.058 1.00 0.00 O ATOM 164 CB ILE A 6 -1.809 3.055 3.852 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.233 4.286 3.049 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.267 1.780 3.158 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.785 4.249 1.604 1.00 0.00 C ATOM 0 H ILE A 6 -1.019 4.451 6.159 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.471 3.107 5.226 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.721 3.041 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.319 4.375 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.825 5.178 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.854 1.746 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.920 0.914 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.356 1.766 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.121 5.153 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.697 4.191 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.214 3.376 1.112 1.00 0.00 H new ATOM 179 N GLY A 7 -2.823 1.250 6.755 1.00 0.00 N ATOM 180 CA GLY A 7 -2.469 0.081 7.539 1.00 0.00 C ATOM 181 C GLY A 7 -2.851 -1.215 6.853 1.00 0.00 C ATOM 182 O GLY A 7 -3.567 -1.208 5.853 1.00 0.00 O ATOM 0 H GLY A 7 -3.811 1.501 6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.396 0.086 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.964 0.135 8.509 1.00 0.00 H new ATOM 186 N ASN A 8 -2.370 -2.332 7.391 1.00 0.00 N ATOM 187 CA ASN A 8 -2.663 -3.642 6.822 1.00 0.00 C ATOM 188 C ASN A 8 -2.089 -3.765 5.414 1.00 0.00 C ATOM 189 O ASN A 8 -2.776 -4.196 4.486 1.00 0.00 O ATOM 190 CB ASN A 8 -4.174 -3.881 6.791 1.00 0.00 C ATOM 191 CG ASN A 8 -4.527 -5.356 6.813 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.719 -5.944 7.878 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.613 -5.961 5.634 1.00 0.00 N ATOM 0 H ASN A 8 -1.776 -2.355 8.220 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.195 -4.397 7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.635 -3.387 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.593 -3.423 5.895 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.846 -6.953 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.446 -5.434 4.777 1.00 0.00 H new ATOM 200 N LEU A 9 -0.826 -3.383 5.260 1.00 0.00 N ATOM 201 CA LEU A 9 -0.158 -3.450 3.965 1.00 0.00 C ATOM 202 C LEU A 9 0.496 -4.813 3.760 1.00 0.00 C ATOM 203 O LEU A 9 1.029 -5.419 4.690 1.00 0.00 O ATOM 204 CB LEU A 9 0.893 -2.345 3.853 1.00 0.00 C ATOM 205 CG LEU A 9 0.356 -0.920 3.709 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.501 0.080 3.670 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.504 -0.799 2.459 1.00 0.00 C ATOM 0 H LEU A 9 -0.244 -3.023 6.016 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.909 -3.307 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.529 -2.385 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.528 -2.561 2.994 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.265 -0.696 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.100 1.088 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.076 0.011 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.149 -0.141 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.878 0.221 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.094 -1.042 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.345 -1.489 2.528 1.00 0.00 H new ATOM 219 N PRO A 10 0.459 -5.306 2.514 1.00 0.00 N ATOM 220 CA PRO A 10 1.046 -6.601 2.157 1.00 0.00 C ATOM 221 C PRO A 10 2.562 -6.528 2.005 1.00 0.00 C ATOM 222 O PRO A 10 3.157 -5.457 2.131 1.00 0.00 O ATOM 223 CB PRO A 10 0.390 -6.930 0.814 1.00 0.00 C ATOM 224 CG PRO A 10 0.066 -5.605 0.216 1.00 0.00 C ATOM 225 CD PRO A 10 -0.159 -4.638 1.356 1.00 0.00 C ATOM 0 HA PRO A 10 0.873 -7.353 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.063 -7.499 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.508 -7.533 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.880 -5.263 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.823 -5.674 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.305 -3.672 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.221 -4.454 1.520 1.00 0.00 H new ATOM 233 N ARG A 11 3.181 -7.672 1.734 1.00 0.00 N ATOM 234 CA ARG A 11 4.628 -7.738 1.566 1.00 0.00 C ATOM 235 C ARG A 11 5.027 -7.359 0.143 1.00 0.00 C ATOM 236 O ARG A 11 6.100 -6.800 -0.082 1.00 0.00 O ATOM 237 CB ARG A 11 5.138 -9.142 1.894 1.00 0.00 C ATOM 238 CG ARG A 11 5.247 -9.418 3.384 1.00 0.00 C ATOM 239 CD ARG A 11 5.558 -10.881 3.659 1.00 0.00 C ATOM 240 NE ARG A 11 5.650 -11.162 5.089 1.00 0.00 N ATOM 241 CZ ARG A 11 6.666 -10.771 5.851 1.00 0.00 C ATOM 242 NH1 ARG A 11 7.670 -10.085 5.322 1.00 0.00 N ATOM 243 NH2 ARG A 11 6.678 -11.065 7.145 1.00 0.00 N ATOM 0 H ARG A 11 2.703 -8.567 1.626 1.00 0.00 H new ATOM 0 HA ARG A 11 5.082 -7.025 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.469 -9.876 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.117 -9.280 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.028 -8.792 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.313 -9.145 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.782 -11.506 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.498 -11.149 3.176 1.00 0.00 H new ATOM 0 HE ARG A 11 4.893 -11.687 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.664 -9.856 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.449 -9.786 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.907 -11.592 7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.458 -10.764 7.729 1.00 0.00 H new ATOM 257 N GLU A 12 4.156 -7.668 -0.813 1.00 0.00 N ATOM 258 CA GLU A 12 4.420 -7.361 -2.214 1.00 0.00 C ATOM 259 C GLU A 12 4.277 -5.865 -2.479 1.00 0.00 C ATOM 260 O GLU A 12 4.961 -5.308 -3.338 1.00 0.00 O ATOM 261 CB GLU A 12 3.466 -8.144 -3.119 1.00 0.00 C ATOM 262 CG GLU A 12 3.600 -9.651 -2.985 1.00 0.00 C ATOM 263 CD GLU A 12 2.325 -10.385 -3.352 1.00 0.00 C ATOM 264 OE1 GLU A 12 1.945 -10.358 -4.541 1.00 0.00 O ATOM 265 OE2 GLU A 12 1.707 -10.988 -2.449 1.00 0.00 O ATOM 0 H GLU A 12 3.263 -8.130 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 12 5.445 -7.656 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.440 -7.857 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.649 -7.862 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.412 -9.998 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.875 -9.898 -1.959 1.00 0.00 H new ATOM 272 N ALA A 13 3.383 -5.221 -1.736 1.00 0.00 N ATOM 273 CA ALA A 13 3.151 -3.790 -1.889 1.00 0.00 C ATOM 274 C ALA A 13 4.449 -3.054 -2.206 1.00 0.00 C ATOM 275 O ALA A 13 5.513 -3.398 -1.689 1.00 0.00 O ATOM 276 CB ALA A 13 2.513 -3.221 -0.631 1.00 0.00 C ATOM 0 H ALA A 13 2.807 -5.668 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 13 2.468 -3.645 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.346 -2.152 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.560 -3.718 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.175 -3.385 0.219 1.00 0.00 H new ATOM 282 N THR A 14 4.356 -2.040 -3.060 1.00 0.00 N ATOM 283 CA THR A 14 5.522 -1.256 -3.447 1.00 0.00 C ATOM 284 C THR A 14 5.236 0.238 -3.356 1.00 0.00 C ATOM 285 O THR A 14 4.196 0.708 -3.815 1.00 0.00 O ATOM 286 CB THR A 14 5.976 -1.595 -4.879 1.00 0.00 C ATOM 287 OG1 THR A 14 4.923 -1.311 -5.807 1.00 0.00 O ATOM 288 CG2 THR A 14 6.374 -3.059 -4.989 1.00 0.00 C ATOM 0 H THR A 14 3.484 -1.742 -3.497 1.00 0.00 H new ATOM 0 HA THR A 14 6.320 -1.512 -2.750 1.00 0.00 H new ATOM 0 HB THR A 14 6.844 -0.980 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.220 -1.528 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.691 -3.274 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.195 -3.265 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.521 -3.688 -4.734 1.00 0.00 H new ATOM 296 N GLU A 15 6.166 0.979 -2.762 1.00 0.00 N ATOM 297 CA GLU A 15 6.011 2.422 -2.612 1.00 0.00 C ATOM 298 C GLU A 15 5.303 3.022 -3.823 1.00 0.00 C ATOM 299 O GLU A 15 4.497 3.943 -3.690 1.00 0.00 O ATOM 300 CB GLU A 15 7.377 3.086 -2.426 1.00 0.00 C ATOM 301 CG GLU A 15 7.328 4.353 -1.588 1.00 0.00 C ATOM 302 CD GLU A 15 8.561 5.218 -1.766 1.00 0.00 C ATOM 303 OE1 GLU A 15 8.901 5.536 -2.924 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.185 5.577 -0.745 1.00 0.00 O ATOM 0 H GLU A 15 7.033 0.605 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 15 5.401 2.607 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.056 2.375 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.793 3.324 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.443 4.929 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.225 4.085 -0.536 1.00 0.00 H new ATOM 311 N GLN A 16 5.610 2.493 -5.003 1.00 0.00 N ATOM 312 CA GLN A 16 5.003 2.977 -6.238 1.00 0.00 C ATOM 313 C GLN A 16 3.552 2.521 -6.347 1.00 0.00 C ATOM 314 O GLN A 16 2.636 3.342 -6.395 1.00 0.00 O ATOM 315 CB GLN A 16 5.797 2.483 -7.449 1.00 0.00 C ATOM 316 CG GLN A 16 7.179 3.106 -7.566 1.00 0.00 C ATOM 317 CD GLN A 16 7.136 4.622 -7.574 1.00 0.00 C ATOM 318 OE1 GLN A 16 6.777 5.239 -8.577 1.00 0.00 O ATOM 319 NE2 GLN A 16 7.503 5.231 -6.452 1.00 0.00 N ATOM 0 H GLN A 16 6.275 1.730 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 16 5.022 4.067 -6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.900 1.400 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.232 2.699 -8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.798 2.768 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.656 2.755 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.794 4.680 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.494 6.250 -6.398 1.00 0.00 H new ATOM 328 N GLU A 17 3.350 1.207 -6.385 1.00 0.00 N ATOM 329 CA GLU A 17 2.009 0.644 -6.489 1.00 0.00 C ATOM 330 C GLU A 17 1.007 1.472 -5.690 1.00 0.00 C ATOM 331 O GLU A 17 -0.113 1.714 -6.141 1.00 0.00 O ATOM 332 CB GLU A 17 2.001 -0.804 -5.993 1.00 0.00 C ATOM 333 CG GLU A 17 2.326 -1.820 -7.076 1.00 0.00 C ATOM 334 CD GLU A 17 1.099 -2.260 -7.850 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.439 -1.392 -8.459 1.00 0.00 O ATOM 336 OE2 GLU A 17 0.798 -3.472 -7.846 1.00 0.00 O ATOM 0 H GLU A 17 4.097 0.514 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 17 1.715 0.664 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.723 -0.906 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.020 -1.031 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.052 -1.390 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.796 -2.692 -6.622 1.00 0.00 H new ATOM 343 N ILE A 18 1.419 1.904 -4.503 1.00 0.00 N ATOM 344 CA ILE A 18 0.558 2.705 -3.642 1.00 0.00 C ATOM 345 C ILE A 18 0.413 4.126 -4.178 1.00 0.00 C ATOM 346 O ILE A 18 -0.687 4.678 -4.212 1.00 0.00 O ATOM 347 CB ILE A 18 1.100 2.765 -2.202 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.210 1.356 -1.616 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.205 3.637 -1.334 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.102 0.604 -1.602 1.00 0.00 C ATOM 0 H ILE A 18 2.343 1.713 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.418 2.220 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 18 2.096 3.208 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.939 0.787 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.592 1.424 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.602 3.669 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.173 4.647 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.802 3.221 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.051 -0.387 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.829 1.151 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.475 0.505 -2.621 1.00 0.00 H new ATOM 362 N ARG A 19 1.530 4.711 -4.597 1.00 0.00 N ATOM 363 CA ARG A 19 1.528 6.067 -5.133 1.00 0.00 C ATOM 364 C ARG A 19 0.546 6.191 -6.294 1.00 0.00 C ATOM 365 O ARG A 19 -0.366 7.017 -6.263 1.00 0.00 O ATOM 366 CB ARG A 19 2.933 6.458 -5.594 1.00 0.00 C ATOM 367 CG ARG A 19 2.986 7.790 -6.325 1.00 0.00 C ATOM 368 CD ARG A 19 4.197 7.876 -7.240 1.00 0.00 C ATOM 369 NE ARG A 19 5.362 8.430 -6.556 1.00 0.00 N ATOM 370 CZ ARG A 19 5.589 9.732 -6.428 1.00 0.00 C ATOM 371 NH1 ARG A 19 4.734 10.610 -6.935 1.00 0.00 N ATOM 372 NH2 ARG A 19 6.672 10.159 -5.792 1.00 0.00 N ATOM 0 H ARG A 19 2.448 4.267 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 19 1.212 6.744 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.591 6.503 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.321 5.678 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.076 7.921 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.018 8.603 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.437 6.882 -7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.955 8.495 -8.104 1.00 0.00 H new ATOM 0 HE ARG A 19 6.039 7.781 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.900 10.286 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.910 11.610 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.332 9.487 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.845 11.159 -5.695 1.00 0.00 H new ATOM 386 N SER A 20 0.740 5.365 -7.317 1.00 0.00 N ATOM 387 CA SER A 20 -0.125 5.385 -8.491 1.00 0.00 C ATOM 388 C SER A 20 -1.595 5.378 -8.082 1.00 0.00 C ATOM 389 O SER A 20 -2.390 6.185 -8.566 1.00 0.00 O ATOM 390 CB SER A 20 0.171 4.184 -9.390 1.00 0.00 C ATOM 391 OG SER A 20 -0.793 4.069 -10.422 1.00 0.00 O ATOM 0 H SER A 20 1.489 4.673 -7.357 1.00 0.00 H new ATOM 0 HA SER A 20 0.077 6.302 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.164 4.289 -9.826 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.179 3.272 -8.793 1.00 0.00 H new ATOM 0 HG SER A 20 -0.580 3.295 -10.984 1.00 0.00 H new ATOM 397 N LEU A 21 -1.949 4.463 -7.187 1.00 0.00 N ATOM 398 CA LEU A 21 -3.324 4.349 -6.711 1.00 0.00 C ATOM 399 C LEU A 21 -3.894 5.720 -6.363 1.00 0.00 C ATOM 400 O LEU A 21 -5.077 5.985 -6.580 1.00 0.00 O ATOM 401 CB LEU A 21 -3.387 3.432 -5.489 1.00 0.00 C ATOM 402 CG LEU A 21 -3.345 1.930 -5.774 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.283 1.142 -4.475 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.552 1.509 -6.599 1.00 0.00 C ATOM 0 H LEU A 21 -1.303 3.789 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.926 3.918 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.555 3.680 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.303 3.652 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.445 1.714 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.254 0.075 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.386 1.422 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.164 1.363 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.505 0.437 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.466 1.739 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.551 2.048 -7.546 1.00 0.00 H new ATOM 416 N PHE A 22 -3.046 6.589 -5.823 1.00 0.00 N ATOM 417 CA PHE A 22 -3.465 7.933 -5.446 1.00 0.00 C ATOM 418 C PHE A 22 -3.359 8.889 -6.631 1.00 0.00 C ATOM 419 O PHE A 22 -4.128 9.843 -6.742 1.00 0.00 O ATOM 420 CB PHE A 22 -2.614 8.448 -4.283 1.00 0.00 C ATOM 421 CG PHE A 22 -2.937 7.797 -2.969 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.033 8.209 -2.228 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.146 6.772 -2.475 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.332 7.611 -1.018 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.440 6.171 -1.266 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.535 6.590 -0.537 1.00 0.00 C ATOM 0 H PHE A 22 -2.064 6.386 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.508 7.887 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.561 8.282 -4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.754 9.525 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.660 9.006 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.289 6.439 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.188 7.942 -0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.814 5.374 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.768 6.121 0.407 1.00 0.00 H new ATOM 436 N GLU A 23 -2.399 8.625 -7.512 1.00 0.00 N ATOM 437 CA GLU A 23 -2.191 9.462 -8.688 1.00 0.00 C ATOM 438 C GLU A 23 -3.500 9.673 -9.444 1.00 0.00 C ATOM 439 O GLU A 23 -3.855 10.800 -9.788 1.00 0.00 O ATOM 440 CB GLU A 23 -1.151 8.830 -9.614 1.00 0.00 C ATOM 441 CG GLU A 23 0.279 8.999 -9.129 1.00 0.00 C ATOM 442 CD GLU A 23 1.295 8.846 -10.244 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.205 9.598 -11.237 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.181 7.975 -10.123 1.00 0.00 O ATOM 0 H GLU A 23 -1.754 7.839 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.825 10.432 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.367 7.767 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.244 9.272 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.390 9.983 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.484 8.263 -8.352 1.00 0.00 H new ATOM 451 N GLN A 24 -4.212 8.580 -9.698 1.00 0.00 N ATOM 452 CA GLN A 24 -5.481 8.645 -10.414 1.00 0.00 C ATOM 453 C GLN A 24 -6.489 9.506 -9.659 1.00 0.00 C ATOM 454 O GLN A 24 -7.522 9.893 -10.205 1.00 0.00 O ATOM 455 CB GLN A 24 -6.047 7.239 -10.621 1.00 0.00 C ATOM 456 CG GLN A 24 -6.398 6.528 -9.324 1.00 0.00 C ATOM 457 CD GLN A 24 -6.906 5.118 -9.552 1.00 0.00 C ATOM 458 OE1 GLN A 24 -7.782 4.888 -10.386 1.00 0.00 O ATOM 459 NE2 GLN A 24 -6.357 4.164 -8.808 1.00 0.00 N ATOM 0 H GLN A 24 -3.932 7.640 -9.419 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.297 9.102 -11.387 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.940 7.304 -11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.319 6.640 -11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.517 6.494 -8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.157 7.102 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.634 4.400 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.659 3.196 -8.916 1.00 0.00 H new ATOM 468 N TYR A 25 -6.182 9.801 -8.401 1.00 0.00 N ATOM 469 CA TYR A 25 -7.062 10.613 -7.569 1.00 0.00 C ATOM 470 C TYR A 25 -6.298 11.772 -6.937 1.00 0.00 C ATOM 471 O TYR A 25 -6.644 12.241 -5.854 1.00 0.00 O ATOM 472 CB TYR A 25 -7.703 9.754 -6.478 1.00 0.00 C ATOM 473 CG TYR A 25 -8.222 8.425 -6.980 1.00 0.00 C ATOM 474 CD1 TYR A 25 -9.231 8.367 -7.934 1.00 0.00 C ATOM 475 CD2 TYR A 25 -7.705 7.229 -6.499 1.00 0.00 C ATOM 476 CE1 TYR A 25 -9.709 7.156 -8.394 1.00 0.00 C ATOM 477 CE2 TYR A 25 -8.176 6.013 -6.955 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.178 5.981 -7.903 1.00 0.00 C ATOM 479 OH TYR A 25 -9.651 4.772 -8.359 1.00 0.00 O ATOM 0 H TYR A 25 -5.330 9.490 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.846 11.023 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.970 9.575 -5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.526 10.309 -6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.648 9.284 -8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.922 7.250 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.495 7.129 -9.135 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.762 5.092 -6.571 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.250 4.571 -9.230 1.00 0.00 H new ATOM 489 N GLY A 26 -5.255 12.229 -7.623 1.00 0.00 N ATOM 490 CA GLY A 26 -4.457 13.330 -7.115 1.00 0.00 C ATOM 491 C GLY A 26 -2.971 13.032 -7.147 1.00 0.00 C ATOM 492 O GLY A 26 -2.551 11.901 -6.898 1.00 0.00 O ATOM 0 H GLY A 26 -4.948 11.857 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.658 14.223 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.758 13.551 -6.091 1.00 0.00 H new ATOM 496 N LYS A 27 -2.172 14.048 -7.455 1.00 0.00 N ATOM 497 CA LYS A 27 -0.724 13.890 -7.520 1.00 0.00 C ATOM 498 C LYS A 27 -0.144 13.622 -6.135 1.00 0.00 C ATOM 499 O LYS A 27 -0.390 14.373 -5.192 1.00 0.00 O ATOM 500 CB LYS A 27 -0.081 15.143 -8.120 1.00 0.00 C ATOM 501 CG LYS A 27 1.301 14.898 -8.701 1.00 0.00 C ATOM 502 CD LYS A 27 2.013 16.203 -9.015 1.00 0.00 C ATOM 503 CE LYS A 27 3.521 16.014 -9.077 1.00 0.00 C ATOM 504 NZ LYS A 27 4.180 17.079 -9.883 1.00 0.00 N ATOM 0 H LYS A 27 -2.503 14.990 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.504 13.034 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.731 15.536 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.011 15.910 -7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.896 14.319 -7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.214 14.302 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.655 16.594 -9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.769 16.944 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.930 16.018 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.748 15.039 -9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.207 16.915 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.809 17.059 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.985 18.007 -9.457 1.00 0.00 H new ATOM 518 N VAL A 28 0.629 12.546 -6.021 1.00 0.00 N ATOM 519 CA VAL A 28 1.246 12.180 -4.752 1.00 0.00 C ATOM 520 C VAL A 28 2.573 12.905 -4.557 1.00 0.00 C ATOM 521 O VAL A 28 3.415 12.935 -5.456 1.00 0.00 O ATOM 522 CB VAL A 28 1.486 10.661 -4.662 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.252 10.315 -3.394 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.165 9.909 -4.718 1.00 0.00 C ATOM 0 H VAL A 28 0.842 11.913 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 28 0.553 12.478 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 28 2.089 10.355 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.412 9.238 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.215 10.825 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.678 10.634 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.353 8.837 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.465 10.218 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.341 10.132 -5.657 1.00 0.00 H new ATOM 534 N LEU A 29 2.754 13.489 -3.377 1.00 0.00 N ATOM 535 CA LEU A 29 3.980 14.215 -3.063 1.00 0.00 C ATOM 536 C LEU A 29 4.994 13.301 -2.382 1.00 0.00 C ATOM 537 O LEU A 29 6.140 13.199 -2.817 1.00 0.00 O ATOM 538 CB LEU A 29 3.670 15.412 -2.163 1.00 0.00 C ATOM 539 CG LEU A 29 2.558 16.344 -2.645 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.331 17.467 -1.644 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.894 16.910 -4.017 1.00 0.00 C ATOM 0 H LEU A 29 2.068 13.474 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 29 4.411 14.573 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.401 15.038 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.582 15.998 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 29 1.637 15.767 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.536 18.120 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.045 17.044 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.249 18.043 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.092 17.571 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.827 17.472 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.005 16.093 -4.730 1.00 0.00 H new ATOM 553 N GLU A 30 4.562 12.638 -1.314 1.00 0.00 N ATOM 554 CA GLU A 30 5.433 11.732 -0.575 1.00 0.00 C ATOM 555 C GLU A 30 4.755 10.382 -0.356 1.00 0.00 C ATOM 556 O GLU A 30 3.529 10.298 -0.273 1.00 0.00 O ATOM 557 CB GLU A 30 5.819 12.345 0.773 1.00 0.00 C ATOM 558 CG GLU A 30 6.746 11.469 1.598 1.00 0.00 C ATOM 559 CD GLU A 30 8.150 11.406 1.028 1.00 0.00 C ATOM 560 OE1 GLU A 30 8.306 10.918 -0.111 1.00 0.00 O ATOM 561 OE2 GLU A 30 9.091 11.844 1.721 1.00 0.00 O ATOM 0 H GLU A 30 3.615 12.711 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 30 6.335 11.575 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.301 13.307 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.913 12.541 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.789 11.851 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.334 10.461 1.652 1.00 0.00 H new ATOM 568 N CYS A 31 5.561 9.330 -0.266 1.00 0.00 N ATOM 569 CA CYS A 31 5.039 7.984 -0.059 1.00 0.00 C ATOM 570 C CYS A 31 6.081 7.094 0.612 1.00 0.00 C ATOM 571 O CYS A 31 7.132 6.809 0.036 1.00 0.00 O ATOM 572 CB CYS A 31 4.610 7.370 -1.392 1.00 0.00 C ATOM 573 SG CYS A 31 5.884 7.423 -2.674 1.00 0.00 S ATOM 0 H CYS A 31 6.577 9.383 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 31 4.171 8.055 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.321 6.332 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.725 7.894 -1.753 1.00 0.00 H new ATOM 0 HG CYS A 31 5.511 6.697 -3.686 1.00 0.00 H new ATOM 579 N ASP A 32 5.784 6.661 1.832 1.00 0.00 N ATOM 580 CA ASP A 32 6.695 5.804 2.582 1.00 0.00 C ATOM 581 C ASP A 32 5.971 4.568 3.107 1.00 0.00 C ATOM 582 O ASP A 32 4.743 4.549 3.199 1.00 0.00 O ATOM 583 CB ASP A 32 7.316 6.579 3.745 1.00 0.00 C ATOM 584 CG ASP A 32 8.597 7.289 3.351 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.512 6.616 2.830 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.683 8.516 3.561 1.00 0.00 O ATOM 0 H ASP A 32 4.920 6.889 2.323 1.00 0.00 H new ATOM 0 HA ASP A 32 7.487 5.479 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.598 7.311 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.523 5.892 4.566 1.00 0.00 H new ATOM 591 N ILE A 33 6.739 3.539 3.448 1.00 0.00 N ATOM 592 CA ILE A 33 6.171 2.300 3.963 1.00 0.00 C ATOM 593 C ILE A 33 7.022 1.733 5.094 1.00 0.00 C ATOM 594 O ILE A 33 8.093 1.174 4.858 1.00 0.00 O ATOM 595 CB ILE A 33 6.037 1.239 2.855 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.086 1.729 1.761 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.547 -0.078 3.439 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.948 0.765 0.603 1.00 0.00 C ATOM 0 H ILE A 33 7.757 3.539 3.377 1.00 0.00 H new ATOM 0 HA ILE A 33 5.179 2.543 4.345 1.00 0.00 H new ATOM 0 HB ILE A 33 7.018 1.074 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.102 1.903 2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.442 2.688 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.457 -0.818 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.258 -0.432 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.574 0.071 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.259 1.178 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.923 0.609 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.563 -0.188 0.967 1.00 0.00 H new ATOM 610 N ILE A 34 6.537 1.879 6.322 1.00 0.00 N ATOM 611 CA ILE A 34 7.251 1.379 7.490 1.00 0.00 C ATOM 612 C ILE A 34 6.282 0.864 8.549 1.00 0.00 C ATOM 613 O ILE A 34 5.190 1.405 8.723 1.00 0.00 O ATOM 614 CB ILE A 34 8.143 2.469 8.113 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.814 3.299 7.017 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.189 1.841 9.023 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.314 4.643 7.497 1.00 0.00 C ATOM 0 H ILE A 34 5.652 2.340 6.534 1.00 0.00 H new ATOM 0 HA ILE A 34 7.880 0.558 7.147 1.00 0.00 H new ATOM 0 HB ILE A 34 7.517 3.131 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.651 2.735 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.105 3.454 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.812 2.624 9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.693 1.289 9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.813 1.160 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.778 5.176 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.477 5.227 7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.048 4.496 8.289 1.00 0.00 H new ATOM 629 N LYS A 35 6.690 -0.185 9.255 1.00 0.00 N ATOM 630 CA LYS A 35 5.860 -0.773 10.300 1.00 0.00 C ATOM 631 C LYS A 35 4.510 -1.209 9.742 1.00 0.00 C ATOM 632 O LYS A 35 3.461 -0.808 10.244 1.00 0.00 O ATOM 633 CB LYS A 35 5.654 0.227 11.440 1.00 0.00 C ATOM 634 CG LYS A 35 6.834 0.315 12.393 1.00 0.00 C ATOM 635 CD LYS A 35 6.674 1.466 13.373 1.00 0.00 C ATOM 636 CE LYS A 35 7.864 1.564 14.316 1.00 0.00 C ATOM 637 NZ LYS A 35 7.903 0.428 15.278 1.00 0.00 N ATOM 0 H LYS A 35 7.590 -0.646 9.123 1.00 0.00 H new ATOM 0 HA LYS A 35 6.375 -1.653 10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.465 1.214 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.764 -0.054 12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.930 -0.621 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.754 0.446 11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.566 2.401 12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.760 1.329 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.787 1.581 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.816 2.504 14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.655 0.591 15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.987 0.354 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.094 -0.456 14.764 1.00 0.00 H new ATOM 651 N ASN A 36 4.543 -2.034 8.701 1.00 0.00 N ATOM 652 CA ASN A 36 3.321 -2.526 8.075 1.00 0.00 C ATOM 653 C ASN A 36 2.342 -1.383 7.822 1.00 0.00 C ATOM 654 O ASN A 36 1.132 -1.595 7.741 1.00 0.00 O ATOM 655 CB ASN A 36 2.664 -3.590 8.956 1.00 0.00 C ATOM 656 CG ASN A 36 3.680 -4.408 9.729 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.012 -3.955 10.933 1.00 0.00 O flip ATOM 658 ND2 ASN A 36 4.160 -5.435 9.250 1.00 0.00 N flip ATOM 0 H ASN A 36 5.403 -2.376 8.273 1.00 0.00 H new ATOM 0 HA ASN A 36 3.587 -2.972 7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.982 -3.108 9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.065 -4.254 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.876 -5.746 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.842 -5.975 9.782 1.00 0.00 H new ATOM 665 N TYR A 37 2.874 -0.172 7.698 1.00 0.00 N ATOM 666 CA TYR A 37 2.048 1.005 7.456 1.00 0.00 C ATOM 667 C TYR A 37 2.727 1.954 6.474 1.00 0.00 C ATOM 668 O TYR A 37 3.953 2.035 6.418 1.00 0.00 O ATOM 669 CB TYR A 37 1.762 1.731 8.771 1.00 0.00 C ATOM 670 CG TYR A 37 2.859 2.685 9.188 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.165 3.801 8.419 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.591 2.469 10.349 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.167 4.675 8.794 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.594 3.338 10.733 1.00 0.00 C ATOM 675 CZ TYR A 37 4.878 4.439 9.952 1.00 0.00 C ATOM 676 OH TYR A 37 5.877 5.306 10.331 1.00 0.00 O ATOM 0 H TYR A 37 3.874 0.020 7.761 1.00 0.00 H new ATOM 0 HA TYR A 37 1.106 0.674 7.019 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.828 2.285 8.675 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.615 0.993 9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.610 3.989 7.512 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.372 1.607 10.962 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.392 5.538 8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.152 3.156 11.639 1.00 0.00 H new ATOM 0 HH TYR A 37 6.278 4.996 11.170 1.00 0.00 H new ATOM 686 N GLY A 38 1.918 2.674 5.702 1.00 0.00 N ATOM 687 CA GLY A 38 2.457 3.610 4.733 1.00 0.00 C ATOM 688 C GLY A 38 1.769 4.959 4.784 1.00 0.00 C ATOM 689 O GLY A 38 0.572 5.043 5.060 1.00 0.00 O ATOM 0 H GLY A 38 0.900 2.626 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.523 3.743 4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.354 3.191 3.732 1.00 0.00 H new ATOM 693 N PHE A 39 2.526 6.019 4.521 1.00 0.00 N ATOM 694 CA PHE A 39 1.982 7.372 4.541 1.00 0.00 C ATOM 695 C PHE A 39 1.950 7.966 3.136 1.00 0.00 C ATOM 696 O PHE A 39 2.934 7.901 2.400 1.00 0.00 O ATOM 697 CB PHE A 39 2.812 8.264 5.466 1.00 0.00 C ATOM 698 CG PHE A 39 2.675 7.913 6.920 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.434 7.625 7.463 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.789 7.871 7.744 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.304 7.301 8.800 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.665 7.547 9.082 1.00 0.00 C ATOM 703 CZ PHE A 39 2.422 7.263 9.611 1.00 0.00 C ATOM 0 H PHE A 39 3.518 5.967 4.291 1.00 0.00 H new ATOM 0 HA PHE A 39 0.960 7.321 4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.862 8.192 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.512 9.302 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.557 7.654 6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.764 8.094 7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.330 7.078 9.210 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.541 7.516 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.324 7.012 10.657 1.00 0.00 H new ATOM 713 N VAL A 40 0.810 8.546 2.772 1.00 0.00 N ATOM 714 CA VAL A 40 0.649 9.153 1.456 1.00 0.00 C ATOM 715 C VAL A 40 0.252 10.620 1.573 1.00 0.00 C ATOM 716 O VAL A 40 -0.799 10.949 2.124 1.00 0.00 O ATOM 717 CB VAL A 40 -0.413 8.410 0.622 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.699 9.162 -0.669 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.039 6.987 0.332 1.00 0.00 C ATOM 0 H VAL A 40 -0.014 8.608 3.369 1.00 0.00 H new ATOM 0 HA VAL A 40 1.613 9.079 0.953 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.337 8.363 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.451 8.623 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.068 10.160 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.217 9.242 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.722 6.476 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.975 7.009 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.188 6.454 1.271 1.00 0.00 H new ATOM 729 N HIS A 41 1.100 11.500 1.050 1.00 0.00 N ATOM 730 CA HIS A 41 0.838 12.934 1.094 1.00 0.00 C ATOM 731 C HIS A 41 0.296 13.429 -0.243 1.00 0.00 C ATOM 732 O HIS A 41 1.060 13.736 -1.159 1.00 0.00 O ATOM 733 CB HIS A 41 2.114 13.696 1.454 1.00 0.00 C ATOM 734 CG HIS A 41 2.706 13.286 2.767 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.026 14.186 3.762 1.00 0.00 N ATOM 736 CD2 HIS A 41 3.035 12.064 3.247 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.528 13.534 4.796 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.544 12.245 4.509 1.00 0.00 N ATOM 0 H HIS A 41 1.974 11.245 0.591 1.00 0.00 H new ATOM 0 HA HIS A 41 0.085 13.117 1.861 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.853 13.542 0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.895 14.763 1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.919 11.121 2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.868 13.980 5.719 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.880 11.504 5.125 1.00 0.00 H new ATOM 746 N ILE A 42 -1.027 13.503 -0.349 1.00 0.00 N ATOM 747 CA ILE A 42 -1.670 13.961 -1.574 1.00 0.00 C ATOM 748 C ILE A 42 -1.528 15.470 -1.739 1.00 0.00 C ATOM 749 O ILE A 42 -1.191 16.179 -0.791 1.00 0.00 O ATOM 750 CB ILE A 42 -3.165 13.592 -1.597 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.699 13.624 -3.031 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.958 14.539 -0.709 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.977 12.837 -3.217 1.00 0.00 C ATOM 0 H ILE A 42 -1.674 13.252 0.399 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.167 13.459 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.280 12.580 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.874 14.660 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.937 13.229 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.013 14.265 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.591 14.470 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.839 15.561 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.297 12.904 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.802 11.793 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.754 13.246 -2.571 1.00 0.00 H new ATOM 765 N GLU A 43 -1.790 15.956 -2.949 1.00 0.00 N ATOM 766 CA GLU A 43 -1.693 17.382 -3.237 1.00 0.00 C ATOM 767 C GLU A 43 -2.765 18.164 -2.483 1.00 0.00 C ATOM 768 O GLU A 43 -2.477 18.838 -1.494 1.00 0.00 O ATOM 769 CB GLU A 43 -1.826 17.631 -4.740 1.00 0.00 C ATOM 770 CG GLU A 43 -2.125 19.079 -5.093 1.00 0.00 C ATOM 771 CD GLU A 43 -1.644 19.452 -6.482 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.419 19.621 -6.659 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.491 19.576 -7.390 1.00 0.00 O ATOM 0 H GLU A 43 -2.071 15.383 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.715 17.728 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.902 17.329 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.620 16.998 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.199 19.251 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.651 19.733 -4.361 1.00 0.00 H new ATOM 780 N ASP A 44 -4.002 18.068 -2.958 1.00 0.00 N ATOM 781 CA ASP A 44 -5.118 18.765 -2.330 1.00 0.00 C ATOM 782 C ASP A 44 -5.966 17.802 -1.505 1.00 0.00 C ATOM 783 O ASP A 44 -6.103 16.628 -1.849 1.00 0.00 O ATOM 784 CB ASP A 44 -5.984 19.446 -3.391 1.00 0.00 C ATOM 785 CG ASP A 44 -5.228 20.514 -4.157 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.468 21.274 -3.521 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.397 20.590 -5.392 1.00 0.00 O ATOM 0 H ASP A 44 -4.257 17.514 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.710 19.524 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.355 18.696 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.855 19.894 -2.912 1.00 0.00 H new ATOM 792 N LYS A 45 -6.533 18.306 -0.414 1.00 0.00 N ATOM 793 CA LYS A 45 -7.367 17.491 0.460 1.00 0.00 C ATOM 794 C LYS A 45 -8.485 16.816 -0.328 1.00 0.00 C ATOM 795 O LYS A 45 -8.645 15.596 -0.279 1.00 0.00 O ATOM 796 CB LYS A 45 -7.964 18.351 1.577 1.00 0.00 C ATOM 797 CG LYS A 45 -8.857 17.577 2.530 1.00 0.00 C ATOM 798 CD LYS A 45 -8.060 16.581 3.356 1.00 0.00 C ATOM 799 CE LYS A 45 -8.971 15.608 4.088 1.00 0.00 C ATOM 800 NZ LYS A 45 -9.859 16.303 5.060 1.00 0.00 N ATOM 0 H LYS A 45 -6.430 19.276 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.739 16.717 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.153 18.809 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.540 19.162 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.372 18.272 3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.625 17.050 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.382 16.028 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.443 17.116 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.579 15.066 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.366 14.869 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.428 15.601 5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.280 16.841 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.490 16.953 4.550 1.00 0.00 H new ATOM 814 N THR A 46 -9.257 17.617 -1.056 1.00 0.00 N ATOM 815 CA THR A 46 -10.359 17.097 -1.855 1.00 0.00 C ATOM 816 C THR A 46 -9.945 15.840 -2.611 1.00 0.00 C ATOM 817 O THR A 46 -10.695 14.866 -2.671 1.00 0.00 O ATOM 818 CB THR A 46 -10.865 18.146 -2.864 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.171 19.370 -2.187 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.101 17.642 -3.594 1.00 0.00 C ATOM 0 H THR A 46 -9.139 18.629 -1.108 1.00 0.00 H new ATOM 0 HA THR A 46 -11.164 16.852 -1.162 1.00 0.00 H new ATOM 0 HB THR A 46 -10.077 18.324 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.490 20.032 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.440 18.399 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.857 16.726 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.892 17.439 -2.872 1.00 0.00 H new ATOM 828 N ALA A 47 -8.747 15.868 -3.186 1.00 0.00 N ATOM 829 CA ALA A 47 -8.233 14.729 -3.935 1.00 0.00 C ATOM 830 C ALA A 47 -8.206 13.471 -3.073 1.00 0.00 C ATOM 831 O ALA A 47 -8.520 12.378 -3.544 1.00 0.00 O ATOM 832 CB ALA A 47 -6.842 15.034 -4.470 1.00 0.00 C ATOM 0 H ALA A 47 -8.115 16.667 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.902 14.547 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.470 14.174 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.888 15.901 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.170 15.245 -3.638 1.00 0.00 H new ATOM 838 N ALA A 48 -7.829 13.634 -1.809 1.00 0.00 N ATOM 839 CA ALA A 48 -7.762 12.512 -0.882 1.00 0.00 C ATOM 840 C ALA A 48 -9.084 11.753 -0.842 1.00 0.00 C ATOM 841 O ALA A 48 -9.114 10.532 -0.996 1.00 0.00 O ATOM 842 CB ALA A 48 -7.390 12.999 0.511 1.00 0.00 C ATOM 0 H ALA A 48 -7.565 14.532 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.990 11.828 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.344 12.150 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.418 13.491 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.142 13.706 0.862 1.00 0.00 H new ATOM 848 N GLU A 49 -10.175 12.484 -0.636 1.00 0.00 N ATOM 849 CA GLU A 49 -11.500 11.877 -0.575 1.00 0.00 C ATOM 850 C GLU A 49 -11.747 10.987 -1.789 1.00 0.00 C ATOM 851 O GLU A 49 -12.233 9.863 -1.660 1.00 0.00 O ATOM 852 CB GLU A 49 -12.578 12.961 -0.496 1.00 0.00 C ATOM 853 CG GLU A 49 -12.634 13.666 0.849 1.00 0.00 C ATOM 854 CD GLU A 49 -13.756 14.683 0.928 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.884 14.295 1.295 1.00 0.00 O ATOM 856 OE2 GLU A 49 -13.505 15.868 0.623 1.00 0.00 O ATOM 0 H GLU A 49 -10.168 13.496 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.548 11.260 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.397 13.700 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.549 12.511 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.764 12.925 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.683 14.165 1.033 1.00 0.00 H new ATOM 863 N ASP A 50 -11.409 11.497 -2.968 1.00 0.00 N ATOM 864 CA ASP A 50 -11.593 10.749 -4.206 1.00 0.00 C ATOM 865 C ASP A 50 -10.938 9.374 -4.113 1.00 0.00 C ATOM 866 O ASP A 50 -11.487 8.381 -4.588 1.00 0.00 O ATOM 867 CB ASP A 50 -11.010 11.526 -5.388 1.00 0.00 C ATOM 868 CG ASP A 50 -12.000 12.513 -5.976 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.807 13.073 -5.205 1.00 0.00 O ATOM 870 OD2 ASP A 50 -11.966 12.726 -7.206 1.00 0.00 O ATOM 0 H ASP A 50 -11.006 12.426 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.663 10.612 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.118 12.061 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.697 10.825 -6.162 1.00 0.00 H new ATOM 875 N ALA A 51 -9.760 9.326 -3.499 1.00 0.00 N ATOM 876 CA ALA A 51 -9.031 8.073 -3.343 1.00 0.00 C ATOM 877 C ALA A 51 -9.531 7.295 -2.130 1.00 0.00 C ATOM 878 O ALA A 51 -10.085 6.204 -2.267 1.00 0.00 O ATOM 879 CB ALA A 51 -7.539 8.343 -3.221 1.00 0.00 C ATOM 0 H ALA A 51 -9.290 10.140 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.208 7.465 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.007 7.399 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.186 8.850 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.353 8.973 -2.351 1.00 0.00 H new ATOM 885 N ILE A 52 -9.330 7.862 -0.945 1.00 0.00 N ATOM 886 CA ILE A 52 -9.761 7.220 0.291 1.00 0.00 C ATOM 887 C ILE A 52 -11.046 6.428 0.080 1.00 0.00 C ATOM 888 O ILE A 52 -11.073 5.210 0.258 1.00 0.00 O ATOM 889 CB ILE A 52 -9.985 8.251 1.412 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.682 8.992 1.722 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.521 7.568 2.661 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.840 10.088 2.751 1.00 0.00 C ATOM 0 H ILE A 52 -8.872 8.764 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.963 6.540 0.588 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.723 8.978 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.942 8.275 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.291 9.424 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.674 8.310 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.469 7.082 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.804 6.822 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.877 10.569 2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.556 10.826 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.201 9.660 3.686 1.00 0.00 H new ATOM 904 N ARG A 53 -12.110 7.127 -0.303 1.00 0.00 N ATOM 905 CA ARG A 53 -13.399 6.489 -0.539 1.00 0.00 C ATOM 906 C ARG A 53 -13.218 5.127 -1.203 1.00 0.00 C ATOM 907 O ARG A 53 -13.700 4.112 -0.701 1.00 0.00 O ATOM 908 CB ARG A 53 -14.281 7.382 -1.415 1.00 0.00 C ATOM 909 CG ARG A 53 -15.769 7.203 -1.162 1.00 0.00 C ATOM 910 CD ARG A 53 -16.550 8.455 -1.528 1.00 0.00 C ATOM 911 NE ARG A 53 -17.993 8.240 -1.460 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.878 8.974 -2.126 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.469 9.965 -2.906 1.00 0.00 N ATOM 914 NH2 ARG A 53 -20.175 8.716 -2.013 1.00 0.00 N ATOM 0 H ARG A 53 -12.104 8.135 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.886 6.342 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.014 8.424 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.071 7.170 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.139 6.359 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.935 6.963 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.272 9.265 -0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.278 8.771 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.340 7.485 -0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.473 10.165 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.150 10.527 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.493 7.954 -1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.854 9.280 -2.525 1.00 0.00 H new ATOM 928 N ASN A 54 -12.521 5.113 -2.334 1.00 0.00 N ATOM 929 CA ASN A 54 -12.277 3.876 -3.067 1.00 0.00 C ATOM 930 C ASN A 54 -11.174 3.058 -2.402 1.00 0.00 C ATOM 931 O ASN A 54 -11.431 1.999 -1.829 1.00 0.00 O ATOM 932 CB ASN A 54 -11.896 4.184 -4.516 1.00 0.00 C ATOM 933 CG ASN A 54 -13.030 4.831 -5.287 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.100 4.244 -5.450 1.00 0.00 O ATOM 935 ND2 ASN A 54 -12.801 6.049 -5.766 1.00 0.00 N ATOM 0 H ASN A 54 -12.115 5.944 -2.763 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.196 3.290 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.029 4.844 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.601 3.261 -5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.527 6.535 -6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.899 6.498 -5.607 1.00 0.00 H new ATOM 942 N LEU A 55 -9.945 3.558 -2.482 1.00 0.00 N ATOM 943 CA LEU A 55 -8.802 2.874 -1.887 1.00 0.00 C ATOM 944 C LEU A 55 -9.199 2.174 -0.591 1.00 0.00 C ATOM 945 O LEU A 55 -9.056 0.958 -0.461 1.00 0.00 O ATOM 946 CB LEU A 55 -7.672 3.869 -1.617 1.00 0.00 C ATOM 947 CG LEU A 55 -7.085 4.567 -2.845 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.766 5.240 -2.496 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.894 3.575 -3.982 1.00 0.00 C ATOM 0 H LEU A 55 -9.715 4.433 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.454 2.120 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.043 4.632 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.867 3.344 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.786 5.334 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.363 5.731 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.931 5.981 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.058 4.491 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.476 4.089 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.213 2.785 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.856 3.139 -4.250 1.00 0.00 H new ATOM 961 N HIS A 56 -9.700 2.950 0.365 1.00 0.00 N ATOM 962 CA HIS A 56 -10.121 2.404 1.650 1.00 0.00 C ATOM 963 C HIS A 56 -10.763 1.031 1.473 1.00 0.00 C ATOM 964 O HIS A 56 -11.786 0.895 0.803 1.00 0.00 O ATOM 965 CB HIS A 56 -11.104 3.355 2.334 1.00 0.00 C ATOM 966 CG HIS A 56 -11.346 3.031 3.776 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.394 2.448 4.586 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.439 3.212 4.554 1.00 0.00 C ATOM 969 CE1 HIS A 56 -10.892 2.283 5.799 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.131 2.740 5.806 1.00 0.00 N ATOM 0 H HIS A 56 -9.824 3.958 0.274 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.237 2.294 2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.724 4.374 2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.054 3.328 1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.379 3.647 4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.374 1.848 6.641 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.758 2.742 6.611 1.00 0.00 H new ATOM 978 N HIS A 57 -10.153 0.017 2.079 1.00 0.00 N ATOM 979 CA HIS A 57 -10.665 -1.346 1.988 1.00 0.00 C ATOM 980 C HIS A 57 -10.561 -1.872 0.559 1.00 0.00 C ATOM 981 O HIS A 57 -11.410 -2.639 0.106 1.00 0.00 O ATOM 982 CB HIS A 57 -12.119 -1.400 2.458 1.00 0.00 C ATOM 983 CG HIS A 57 -12.325 -0.837 3.831 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.421 -0.074 4.175 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.569 -0.932 4.950 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.329 0.278 5.445 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.214 -0.231 5.938 1.00 0.00 N ATOM 0 H HIS A 57 -9.305 0.113 2.637 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.058 -1.979 2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.741 -0.851 1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.459 -2.436 2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.632 -1.461 5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.043 0.879 5.988 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.886 -0.121 6.897 1.00 0.00 H new ATOM 995 N TYR A 58 -9.515 -1.453 -0.145 1.00 0.00 N ATOM 996 CA TYR A 58 -9.302 -1.878 -1.523 1.00 0.00 C ATOM 997 C TYR A 58 -8.549 -3.205 -1.573 1.00 0.00 C ATOM 998 O TYR A 58 -7.722 -3.496 -0.709 1.00 0.00 O ATOM 999 CB TYR A 58 -8.527 -0.810 -2.295 1.00 0.00 C ATOM 1000 CG TYR A 58 -8.027 -1.279 -3.643 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.824 -1.963 -3.760 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.759 -1.038 -4.799 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.364 -2.393 -4.990 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -8.308 -1.465 -6.033 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.109 -2.142 -6.123 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.655 -2.569 -7.349 1.00 0.00 O ATOM 0 H TYR A 58 -8.802 -0.820 0.216 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.278 -2.016 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.168 0.060 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.677 -0.485 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.238 -2.162 -2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.697 -0.507 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.426 -2.923 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.890 -1.270 -6.922 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.298 -2.313 -8.043 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.842 -4.005 -2.592 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.194 -5.300 -2.759 1.00 0.00 C ATOM 1018 C LYS A 59 -6.857 -5.151 -3.479 1.00 0.00 C ATOM 1019 O LYS A 59 -6.814 -4.927 -4.689 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.102 -6.252 -3.541 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.715 -7.714 -3.402 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.861 -8.634 -3.789 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.393 -10.073 -3.944 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.318 -10.867 -4.798 1.00 0.00 N ATOM 0 H LYS A 59 -9.525 -3.779 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.010 -5.715 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.129 -6.123 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.079 -5.978 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.850 -7.924 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.417 -7.916 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.641 -8.584 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.304 -8.292 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.394 -10.085 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.317 -10.538 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.965 -11.842 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.265 -10.877 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.372 -10.438 -5.744 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.769 -5.277 -2.728 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.430 -5.158 -3.295 1.00 0.00 C ATOM 1040 C LEU A 60 -3.598 -6.400 -2.993 1.00 0.00 C ATOM 1041 O LEU A 60 -2.983 -6.505 -1.931 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.730 -3.914 -2.743 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.335 -3.627 -3.299 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.427 -3.097 -4.721 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.598 -2.639 -2.406 1.00 0.00 C ATOM 0 H LEU A 60 -5.787 -5.462 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.527 -5.063 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.363 -3.048 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.654 -4.015 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.772 -4.560 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.425 -2.898 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.915 -3.838 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.007 -2.174 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.607 -2.446 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.158 -1.705 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.500 -3.057 -1.404 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.581 -7.338 -3.934 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.821 -8.572 -3.770 1.00 0.00 C ATOM 1059 C HIS A 61 -3.493 -9.492 -2.755 1.00 0.00 C ATOM 1060 O HIS A 61 -2.830 -10.075 -1.897 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.392 -8.261 -3.327 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.764 -7.129 -4.080 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -1.023 -6.874 -5.410 1.00 0.00 N ATOM 1064 CD2 HIS A 61 0.114 -6.179 -3.680 1.00 0.00 C ATOM 1065 CE1 HIS A 61 -0.329 -5.819 -5.797 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.369 -5.378 -4.766 1.00 0.00 N ATOM 0 H HIS A 61 -4.085 -7.267 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.791 -9.082 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.394 -8.022 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.779 -9.154 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.535 -6.071 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.332 -5.390 -6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.996 -4.573 -4.775 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.812 -9.617 -2.858 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.551 -10.467 -1.943 1.00 0.00 C ATOM 1076 C GLY A 62 -5.518 -9.950 -0.518 1.00 0.00 C ATOM 1077 O GLY A 62 -5.465 -10.731 0.432 1.00 0.00 O ATOM 0 H GLY A 62 -5.383 -9.145 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.586 -10.541 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.135 -11.474 -1.971 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.548 -8.630 -0.368 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.521 -8.009 0.951 1.00 0.00 C ATOM 1083 C VAL A 63 -6.469 -6.817 1.017 1.00 0.00 C ATOM 1084 O VAL A 63 -6.712 -6.148 0.014 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.101 -7.544 1.323 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.751 -6.257 0.590 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -3.978 -7.360 2.828 1.00 0.00 C ATOM 0 H VAL A 63 -5.591 -7.969 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.845 -8.767 1.664 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.393 -8.314 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.744 -5.944 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.797 -6.427 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.461 -5.477 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.968 -7.031 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.695 -6.610 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.183 -8.307 3.328 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.001 -6.556 2.207 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.923 -5.444 2.405 1.00 0.00 C ATOM 1099 C ASN A 64 -7.243 -4.301 3.154 1.00 0.00 C ATOM 1100 O ASN A 64 -7.480 -4.100 4.345 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.159 -5.910 3.175 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.038 -6.834 2.354 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -10.148 -8.025 2.647 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.667 -6.289 1.320 1.00 0.00 N ATOM 0 H ASN A 64 -6.809 -7.100 3.048 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.231 -5.080 1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.845 -6.424 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.740 -5.041 3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.271 -6.862 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.546 -5.297 1.115 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.400 -3.556 2.447 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.689 -2.433 3.044 1.00 0.00 C ATOM 1113 C ILE A 65 -6.655 -1.468 3.721 1.00 0.00 C ATOM 1114 O ILE A 65 -7.811 -1.346 3.318 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.865 -1.665 1.994 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.791 -1.021 0.960 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.871 -2.597 1.316 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.122 0.059 0.140 1.00 0.00 C ATOM 0 H ILE A 65 -6.193 -3.710 1.460 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.013 -2.849 3.790 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.307 -0.875 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.167 -1.794 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.654 -0.595 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.296 -2.040 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.195 -3.013 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.409 -3.406 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.837 0.471 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.770 0.852 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.276 -0.366 -0.400 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.173 -0.781 4.752 1.00 0.00 N ATOM 1131 CA ASN A 66 -6.994 0.175 5.485 1.00 0.00 C ATOM 1132 C ASN A 66 -6.463 1.595 5.309 1.00 0.00 C ATOM 1133 O ASN A 66 -5.315 1.886 5.642 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.031 -0.186 6.972 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.136 -1.172 7.300 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.188 -0.793 7.813 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.900 -2.444 7.003 1.00 0.00 N ATOM 0 H ASN A 66 -5.218 -0.869 5.098 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.006 0.131 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.070 -0.610 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.171 0.721 7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.606 -3.153 7.200 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.012 -2.712 6.578 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.308 2.475 4.782 1.00 0.00 N ATOM 1145 CA VAL A 67 -6.926 3.865 4.562 1.00 0.00 C ATOM 1146 C VAL A 67 -7.703 4.801 5.481 1.00 0.00 C ATOM 1147 O VAL A 67 -8.925 4.702 5.594 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.161 4.288 3.100 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.604 5.680 2.850 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.541 3.277 2.147 1.00 0.00 C ATOM 0 H VAL A 67 -8.262 2.250 4.499 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.862 3.939 4.787 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.235 4.315 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.780 5.961 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.100 6.394 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.533 5.685 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.717 3.592 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.468 3.215 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.994 2.299 2.310 1.00 0.00 H new ATOM 1160 N GLU A 68 -6.987 5.709 6.135 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.610 6.663 7.045 1.00 0.00 C ATOM 1162 C GLU A 68 -7.052 8.067 6.828 1.00 0.00 C ATOM 1163 O GLU A 68 -5.839 8.270 6.823 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.390 6.234 8.498 1.00 0.00 C ATOM 1165 CG GLU A 68 -7.984 4.875 8.828 1.00 0.00 C ATOM 1166 CD GLU A 68 -9.415 4.967 9.319 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -10.330 5.049 8.472 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -9.621 4.956 10.551 1.00 0.00 O ATOM 0 H GLU A 68 -5.975 5.804 6.052 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.680 6.680 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.320 6.213 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.827 6.982 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.948 4.242 7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.373 4.391 9.590 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.949 9.032 6.648 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.547 10.416 6.432 1.00 0.00 C ATOM 1177 C ALA A 69 -6.798 10.966 7.640 1.00 0.00 C ATOM 1178 O ALA A 69 -7.394 11.579 8.526 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.765 11.277 6.126 1.00 0.00 C ATOM 0 H ALA A 69 -8.958 8.880 6.648 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.872 10.443 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.451 12.308 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.257 10.905 5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.460 11.235 6.964 1.00 0.00 H new