USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= -0.481 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.33 K(o=-1.3,f=-8.7!) USER MOD Single : A 60 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.63) USER MOD Single : A 62 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.5!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc=-0.00514 X(o=-0.0051,f=-0.01) USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.225 USER MOD Single : A 87 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.068) USER MOD Single : A 88 THR OG1 : rot -99:sc= 0.892 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.562 K(o=-0.56,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.536 4.193 7.226 1.00 0.00 N ATOM 86 CA GLU A 9 -9.938 4.758 8.424 1.00 0.00 C ATOM 87 C GLU A 9 -8.412 4.758 8.306 1.00 0.00 C ATOM 88 O GLU A 9 -7.786 3.699 8.310 1.00 0.00 O ATOM 89 CB GLU A 9 -10.391 4.000 9.673 1.00 0.00 C ATOM 90 CG GLU A 9 -9.596 2.704 9.847 1.00 0.00 C ATOM 91 CD GLU A 9 -10.315 1.743 10.795 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.478 2.125 11.974 1.00 0.00 O ATOM 93 OE2 GLU A 9 -10.686 0.648 10.320 1.00 0.00 O ATOM 0 HA GLU A 9 -10.276 5.790 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.262 4.631 10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.454 3.771 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.455 2.227 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.604 2.931 10.237 1.00 0.00 H new ATOM 100 N LEU A 10 -7.858 5.957 8.203 1.00 0.00 N ATOM 101 CA LEU A 10 -6.418 6.108 8.083 1.00 0.00 C ATOM 102 C LEU A 10 -5.824 6.396 9.464 1.00 0.00 C ATOM 103 O LEU A 10 -6.044 7.467 10.027 1.00 0.00 O ATOM 104 CB LEU A 10 -6.076 7.167 7.033 1.00 0.00 C ATOM 105 CG LEU A 10 -6.670 6.947 5.641 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.740 5.456 5.304 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.033 7.629 5.512 1.00 0.00 C ATOM 0 H LEU A 10 -8.380 6.833 8.200 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.966 5.182 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.412 8.137 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.991 7.220 6.939 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.008 7.411 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.166 5.327 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.737 5.030 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.367 4.947 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.433 7.457 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.718 7.217 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.921 8.700 5.678 1.00 0.00 H new ATOM 119 N PHE A 11 -5.083 5.421 9.969 1.00 0.00 N ATOM 120 CA PHE A 11 -4.455 5.556 11.272 1.00 0.00 C ATOM 121 C PHE A 11 -2.952 5.283 11.188 1.00 0.00 C ATOM 122 O PHE A 11 -2.527 4.322 10.548 1.00 0.00 O ATOM 123 CB PHE A 11 -5.101 4.516 12.189 1.00 0.00 C ATOM 124 CG PHE A 11 -5.205 3.120 11.571 1.00 0.00 C ATOM 125 CD1 PHE A 11 -6.148 2.864 10.625 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.354 2.136 11.967 1.00 0.00 C ATOM 127 CE1 PHE A 11 -6.245 1.569 10.051 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.451 0.840 11.393 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.394 0.585 10.447 1.00 0.00 C ATOM 0 H PHE A 11 -4.903 4.534 9.499 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.591 6.570 11.648 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.524 4.452 13.111 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.100 4.857 12.461 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.823 3.646 10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.605 2.340 12.718 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.994 1.366 9.300 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.776 0.058 11.708 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.467 -0.400 10.010 1.00 0.00 H new ATOM 139 N PRO A 12 -2.169 6.167 11.862 1.00 0.00 N ATOM 140 CA PRO A 12 -0.722 6.030 11.870 1.00 0.00 C ATOM 141 C PRO A 12 -0.284 4.889 12.789 1.00 0.00 C ATOM 142 O PRO A 12 -0.737 4.797 13.929 1.00 0.00 O ATOM 143 CB PRO A 12 -0.201 7.387 12.317 1.00 0.00 C ATOM 144 CG PRO A 12 -1.374 8.083 12.987 1.00 0.00 C ATOM 145 CD PRO A 12 -2.637 7.316 12.631 1.00 0.00 C ATOM 0 HA PRO A 12 -0.319 5.766 10.892 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.634 7.276 13.008 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.163 7.965 11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.235 8.109 14.068 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.448 9.117 12.650 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.174 7.001 13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.322 7.931 12.047 1.00 0.00 H new ATOM 153 N VAL A 13 0.592 4.048 12.260 1.00 0.00 N ATOM 154 CA VAL A 13 1.096 2.916 13.019 1.00 0.00 C ATOM 155 C VAL A 13 2.624 2.983 13.072 1.00 0.00 C ATOM 156 O VAL A 13 3.287 2.928 12.038 1.00 0.00 O ATOM 157 CB VAL A 13 0.576 1.609 12.418 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.315 0.404 13.003 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.935 1.476 12.619 1.00 0.00 C ATOM 0 H VAL A 13 0.966 4.128 11.314 1.00 0.00 H new ATOM 0 HA VAL A 13 0.733 2.953 14.046 1.00 0.00 H new ATOM 0 HB VAL A 13 0.771 1.633 11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.926 -0.512 12.559 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.380 0.489 12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.167 0.375 14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.279 0.538 12.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.162 1.485 13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.442 2.310 12.133 1.00 0.00 H new ATOM 169 N GLU A 14 3.137 3.101 14.288 1.00 0.00 N ATOM 170 CA GLU A 14 4.574 3.176 14.489 1.00 0.00 C ATOM 171 C GLU A 14 5.185 1.773 14.486 1.00 0.00 C ATOM 172 O GLU A 14 4.717 0.887 15.200 1.00 0.00 O ATOM 173 CB GLU A 14 4.908 3.916 15.786 1.00 0.00 C ATOM 174 CG GLU A 14 4.841 5.431 15.585 1.00 0.00 C ATOM 175 CD GLU A 14 3.977 6.089 16.663 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.386 6.014 17.842 1.00 0.00 O ATOM 177 OE2 GLU A 14 2.927 6.651 16.284 1.00 0.00 O ATOM 0 H GLU A 14 2.583 3.146 15.143 1.00 0.00 H new ATOM 0 HA GLU A 14 5.007 3.741 13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.211 3.618 16.569 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.905 3.634 16.123 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.847 5.850 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.431 5.653 14.600 1.00 0.00 H new ATOM 184 N LEU A 15 6.220 1.614 13.674 1.00 0.00 N ATOM 185 CA LEU A 15 6.899 0.334 13.569 1.00 0.00 C ATOM 186 C LEU A 15 8.402 0.541 13.767 1.00 0.00 C ATOM 187 O LEU A 15 9.010 1.376 13.099 1.00 0.00 O ATOM 188 CB LEU A 15 6.542 -0.355 12.250 1.00 0.00 C ATOM 189 CG LEU A 15 5.719 -1.640 12.366 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.635 -2.360 11.018 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.272 -2.547 13.467 1.00 0.00 C ATOM 0 H LEU A 15 6.605 2.351 13.083 1.00 0.00 H new ATOM 0 HA LEU A 15 6.563 -0.341 14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.989 0.352 11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.467 -0.586 11.722 1.00 0.00 H new ATOM 0 HG LEU A 15 4.702 -1.371 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.045 -3.270 11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.161 -1.706 10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.639 -2.617 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.669 -3.453 13.529 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.304 -2.812 13.236 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.238 -2.023 14.422 1.00 0.00 H new ATOM 203 N GLU A 16 8.957 -0.233 14.687 1.00 0.00 N ATOM 204 CA GLU A 16 10.377 -0.145 14.982 1.00 0.00 C ATOM 205 C GLU A 16 11.153 -1.183 14.169 1.00 0.00 C ATOM 206 O GLU A 16 11.216 -2.352 14.546 1.00 0.00 O ATOM 207 CB GLU A 16 10.638 -0.316 16.480 1.00 0.00 C ATOM 208 CG GLU A 16 11.269 0.945 17.073 1.00 0.00 C ATOM 209 CD GLU A 16 12.241 0.593 18.201 1.00 0.00 C ATOM 210 OE1 GLU A 16 11.746 0.154 19.261 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.458 0.771 17.978 1.00 0.00 O ATOM 0 H GLU A 16 8.449 -0.925 15.238 1.00 0.00 H new ATOM 0 HA GLU A 16 10.726 0.847 14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.702 -0.535 16.993 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.297 -1.168 16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.796 1.494 16.292 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.487 1.603 17.453 1.00 0.00 H new ATOM 218 N LYS A 17 11.725 -0.718 13.067 1.00 0.00 N ATOM 219 CA LYS A 17 12.494 -1.592 12.198 1.00 0.00 C ATOM 220 C LYS A 17 13.307 -2.567 13.051 1.00 0.00 C ATOM 221 O LYS A 17 13.608 -2.282 14.209 1.00 0.00 O ATOM 222 CB LYS A 17 13.343 -0.769 11.227 1.00 0.00 C ATOM 223 CG LYS A 17 12.522 -0.337 10.010 1.00 0.00 C ATOM 224 CD LYS A 17 13.392 0.414 9.000 1.00 0.00 C ATOM 225 CE LYS A 17 13.769 -0.488 7.823 1.00 0.00 C ATOM 226 NZ LYS A 17 15.201 -0.331 7.488 1.00 0.00 N ATOM 0 H LYS A 17 11.671 0.252 12.757 1.00 0.00 H new ATOM 0 HA LYS A 17 11.829 -2.191 11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.734 0.111 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.201 -1.357 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.081 -1.213 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.698 0.300 10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.857 1.290 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.296 0.775 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.560 -1.528 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.157 -0.239 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.440 -0.950 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.391 0.658 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.781 -0.591 8.311 1.00 0.00 H new ATOM 240 N ASP A 18 13.640 -3.698 12.446 1.00 0.00 N ATOM 241 CA ASP A 18 14.412 -4.717 13.137 1.00 0.00 C ATOM 242 C ASP A 18 15.713 -4.970 12.371 1.00 0.00 C ATOM 243 O ASP A 18 15.928 -4.404 11.301 1.00 0.00 O ATOM 244 CB ASP A 18 13.642 -6.036 13.210 1.00 0.00 C ATOM 245 CG ASP A 18 12.130 -5.915 13.008 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.550 -4.983 13.606 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.588 -6.757 12.259 1.00 0.00 O ATOM 0 H ASP A 18 13.389 -3.931 11.485 1.00 0.00 H new ATOM 0 HA ASP A 18 14.613 -4.361 14.147 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.041 -6.714 12.456 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.828 -6.494 14.181 1.00 0.00 H new ATOM 252 N GLU A 19 16.545 -5.823 12.950 1.00 0.00 N ATOM 253 CA GLU A 19 17.819 -6.158 12.336 1.00 0.00 C ATOM 254 C GLU A 19 17.620 -6.509 10.860 1.00 0.00 C ATOM 255 O GLU A 19 18.557 -6.426 10.067 1.00 0.00 O ATOM 256 CB GLU A 19 18.504 -7.303 13.085 1.00 0.00 C ATOM 257 CG GLU A 19 17.776 -8.628 12.845 1.00 0.00 C ATOM 258 CD GLU A 19 18.535 -9.794 13.483 1.00 0.00 C ATOM 259 OE1 GLU A 19 19.149 -9.558 14.546 1.00 0.00 O ATOM 260 OE2 GLU A 19 18.485 -10.894 12.892 1.00 0.00 O ATOM 0 H GLU A 19 16.362 -6.292 13.837 1.00 0.00 H new ATOM 0 HA GLU A 19 18.471 -5.287 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.540 -7.389 12.757 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.525 -7.083 14.152 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.769 -8.574 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.671 -8.800 11.774 1.00 0.00 H new ATOM 267 N ASP A 20 16.395 -6.895 10.536 1.00 0.00 N ATOM 268 CA ASP A 20 16.062 -7.259 9.170 1.00 0.00 C ATOM 269 C ASP A 20 15.297 -6.108 8.512 1.00 0.00 C ATOM 270 O ASP A 20 15.302 -5.974 7.289 1.00 0.00 O ATOM 271 CB ASP A 20 15.170 -8.501 9.133 1.00 0.00 C ATOM 272 CG ASP A 20 14.438 -8.733 7.809 1.00 0.00 C ATOM 273 OD1 ASP A 20 13.651 -7.839 7.431 1.00 0.00 O ATOM 274 OD2 ASP A 20 14.684 -9.799 7.204 1.00 0.00 O ATOM 0 H ASP A 20 15.621 -6.964 11.196 1.00 0.00 H new ATOM 0 HA ASP A 20 16.992 -7.467 8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.782 -9.376 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.431 -8.423 9.930 1.00 0.00 H new ATOM 279 N GLY A 21 14.658 -5.307 9.352 1.00 0.00 N ATOM 280 CA GLY A 21 13.891 -4.173 8.868 1.00 0.00 C ATOM 281 C GLY A 21 12.451 -4.225 9.381 1.00 0.00 C ATOM 282 O GLY A 21 12.217 -4.499 10.557 1.00 0.00 O ATOM 0 H GLY A 21 14.656 -5.422 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.363 -3.245 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.892 -4.167 7.778 1.00 0.00 H new ATOM 286 N LEU A 22 11.523 -3.960 8.473 1.00 0.00 N ATOM 287 CA LEU A 22 10.112 -3.974 8.819 1.00 0.00 C ATOM 288 C LEU A 22 9.646 -5.421 8.987 1.00 0.00 C ATOM 289 O LEU A 22 9.073 -5.778 10.015 1.00 0.00 O ATOM 290 CB LEU A 22 9.300 -3.182 7.792 1.00 0.00 C ATOM 291 CG LEU A 22 9.795 -1.765 7.494 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.238 -1.258 6.163 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.469 -0.817 8.650 1.00 0.00 C ATOM 0 H LEU A 22 11.721 -3.734 7.498 1.00 0.00 H new ATOM 0 HA LEU A 22 9.950 -3.474 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.285 -3.744 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.270 -3.119 8.143 1.00 0.00 H new ATOM 0 HG LEU A 22 10.880 -1.795 7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.605 -0.249 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.562 -1.918 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.149 -1.246 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.831 0.183 8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.390 -0.786 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.953 -1.172 9.560 1.00 0.00 H new ATOM 305 N GLY A 23 9.911 -6.217 7.961 1.00 0.00 N ATOM 306 CA GLY A 23 9.526 -7.618 7.981 1.00 0.00 C ATOM 307 C GLY A 23 8.079 -7.796 7.516 1.00 0.00 C ATOM 308 O GLY A 23 7.272 -8.413 8.210 1.00 0.00 O ATOM 0 H GLY A 23 10.388 -5.918 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.192 -8.191 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.639 -8.016 8.990 1.00 0.00 H new ATOM 312 N ILE A 24 7.796 -7.246 6.345 1.00 0.00 N ATOM 313 CA ILE A 24 6.461 -7.336 5.779 1.00 0.00 C ATOM 314 C ILE A 24 6.558 -7.337 4.252 1.00 0.00 C ATOM 315 O ILE A 24 7.590 -6.972 3.692 1.00 0.00 O ATOM 316 CB ILE A 24 5.566 -6.228 6.337 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.395 -5.011 6.753 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.698 -6.750 7.485 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.491 -3.844 7.156 1.00 0.00 C ATOM 0 H ILE A 24 8.469 -6.736 5.772 1.00 0.00 H new ATOM 0 HA ILE A 24 5.987 -8.273 6.070 1.00 0.00 H new ATOM 0 HB ILE A 24 4.891 -5.903 5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.045 -5.277 7.587 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.041 -4.708 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.071 -5.942 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.066 -7.561 7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.338 -7.119 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.105 -2.992 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.859 -3.565 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.864 -4.143 7.996 1.00 0.00 H new ATOM 331 N SER A 25 5.469 -7.752 3.622 1.00 0.00 N ATOM 332 CA SER A 25 5.418 -7.806 2.171 1.00 0.00 C ATOM 333 C SER A 25 4.357 -6.835 1.648 1.00 0.00 C ATOM 334 O SER A 25 3.349 -6.596 2.312 1.00 0.00 O ATOM 335 CB SER A 25 5.126 -9.226 1.682 1.00 0.00 C ATOM 336 OG SER A 25 6.187 -10.126 1.991 1.00 0.00 O ATOM 0 H SER A 25 4.615 -8.054 4.090 1.00 0.00 H new ATOM 0 HA SER A 25 6.393 -7.511 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.203 -9.584 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.965 -9.212 0.604 1.00 0.00 H new ATOM 0 HG SER A 25 5.962 -11.022 1.664 1.00 0.00 H new ATOM 342 N ILE A 26 4.619 -6.303 0.464 1.00 0.00 N ATOM 343 CA ILE A 26 3.699 -5.365 -0.156 1.00 0.00 C ATOM 344 C ILE A 26 3.349 -5.853 -1.563 1.00 0.00 C ATOM 345 O ILE A 26 4.082 -6.650 -2.147 1.00 0.00 O ATOM 346 CB ILE A 26 4.276 -3.948 -0.122 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.555 -3.857 -0.957 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.497 -3.480 1.317 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.513 -2.648 -1.894 1.00 0.00 C ATOM 0 H ILE A 26 5.456 -6.504 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 26 2.766 -5.319 0.406 1.00 0.00 H new ATOM 0 HB ILE A 26 3.549 -3.272 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.419 -3.781 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.679 -4.770 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.908 -2.470 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.547 -3.483 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.195 -4.153 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.434 -2.607 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.661 -2.740 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.414 -1.735 -1.306 1.00 0.00 H new ATOM 361 N ILE A 27 2.230 -5.355 -2.066 1.00 0.00 N ATOM 362 CA ILE A 27 1.774 -5.731 -3.394 1.00 0.00 C ATOM 363 C ILE A 27 1.255 -4.488 -4.120 1.00 0.00 C ATOM 364 O ILE A 27 0.611 -3.634 -3.514 1.00 0.00 O ATOM 365 CB ILE A 27 0.751 -6.865 -3.308 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.169 -6.868 -4.530 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.036 -6.796 -1.998 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.839 -8.232 -4.710 1.00 0.00 C ATOM 0 H ILE A 27 1.625 -4.694 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 27 2.602 -6.124 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 27 1.291 -7.812 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.931 -6.097 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.406 -6.621 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.756 -7.613 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.651 -6.881 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.564 -5.844 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.487 -8.206 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.075 -8.997 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.432 -8.465 -3.826 1.00 0.00 H new ATOM 380 N GLY A 28 1.554 -4.428 -5.410 1.00 0.00 N ATOM 381 CA GLY A 28 1.126 -3.304 -6.225 1.00 0.00 C ATOM 382 C GLY A 28 -0.167 -3.633 -6.975 1.00 0.00 C ATOM 383 O GLY A 28 -0.194 -4.542 -7.804 1.00 0.00 O ATOM 0 H GLY A 28 2.087 -5.139 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.972 -2.429 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.909 -3.048 -6.938 1.00 0.00 H new ATOM 387 N MET A 29 -1.206 -2.875 -6.658 1.00 0.00 N ATOM 388 CA MET A 29 -2.499 -3.074 -7.292 1.00 0.00 C ATOM 389 C MET A 29 -3.103 -1.740 -7.737 1.00 0.00 C ATOM 390 O MET A 29 -2.776 -0.692 -7.183 1.00 0.00 O ATOM 391 CB MET A 29 -3.448 -3.762 -6.309 1.00 0.00 C ATOM 392 CG MET A 29 -2.848 -5.071 -5.793 1.00 0.00 C ATOM 393 SD MET A 29 -3.639 -6.461 -6.586 1.00 0.00 S ATOM 394 CE MET A 29 -4.553 -7.128 -5.205 1.00 0.00 C ATOM 0 H MET A 29 -1.179 -2.122 -5.971 1.00 0.00 H new ATOM 0 HA MET A 29 -2.358 -3.699 -8.174 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.654 -3.097 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.401 -3.963 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.776 -5.091 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.975 -5.138 -4.713 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.109 -8.009 -5.528 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.860 -7.407 -4.411 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.249 -6.376 -4.832 1.00 0.00 H new ATOM 404 N GLY A 30 -3.973 -1.824 -8.732 1.00 0.00 N ATOM 405 CA GLY A 30 -4.625 -0.637 -9.258 1.00 0.00 C ATOM 406 C GLY A 30 -6.001 -0.439 -8.618 1.00 0.00 C ATOM 407 O GLY A 30 -6.941 -1.173 -8.919 1.00 0.00 O ATOM 0 H GLY A 30 -4.242 -2.696 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.003 0.238 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.732 -0.725 -10.339 1.00 0.00 H new ATOM 411 N VAL A 31 -6.076 0.557 -7.748 1.00 0.00 N ATOM 412 CA VAL A 31 -7.321 0.861 -7.063 1.00 0.00 C ATOM 413 C VAL A 31 -8.140 1.837 -7.911 1.00 0.00 C ATOM 414 O VAL A 31 -7.582 2.726 -8.553 1.00 0.00 O ATOM 415 CB VAL A 31 -7.030 1.390 -5.657 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.211 1.133 -4.719 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.743 0.780 -5.098 1.00 0.00 C ATOM 0 H VAL A 31 -5.294 1.164 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.918 -0.042 -6.939 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.887 2.468 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.978 1.519 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.098 1.636 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.400 0.061 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.559 1.172 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.845 -0.304 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.907 1.037 -5.748 1.00 0.00 H new ATOM 492 N GLU A 38 -6.856 5.938 -12.307 1.00 0.00 N ATOM 493 CA GLU A 38 -6.461 4.818 -11.470 1.00 0.00 C ATOM 494 C GLU A 38 -5.450 5.274 -10.416 1.00 0.00 C ATOM 495 O GLU A 38 -4.589 6.107 -10.696 1.00 0.00 O ATOM 496 CB GLU A 38 -5.896 3.675 -12.314 1.00 0.00 C ATOM 497 CG GLU A 38 -4.607 4.100 -13.021 1.00 0.00 C ATOM 498 CD GLU A 38 -4.074 2.976 -13.911 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.798 2.614 -14.863 1.00 0.00 O ATOM 500 OE2 GLU A 38 -2.953 2.505 -13.620 1.00 0.00 O ATOM 0 HA GLU A 38 -7.347 4.443 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.699 2.812 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.635 3.364 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.795 4.988 -13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.854 4.371 -12.281 1.00 0.00 H new ATOM 507 N LYS A 39 -5.587 4.707 -9.226 1.00 0.00 N ATOM 508 CA LYS A 39 -4.696 5.044 -8.129 1.00 0.00 C ATOM 509 C LYS A 39 -4.091 3.761 -7.557 1.00 0.00 C ATOM 510 O LYS A 39 -4.711 3.092 -6.732 1.00 0.00 O ATOM 511 CB LYS A 39 -5.425 5.898 -7.090 1.00 0.00 C ATOM 512 CG LYS A 39 -5.408 7.376 -7.484 1.00 0.00 C ATOM 513 CD LYS A 39 -4.686 8.216 -6.428 1.00 0.00 C ATOM 514 CE LYS A 39 -5.319 9.604 -6.306 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.271 10.647 -6.236 1.00 0.00 N ATOM 0 H LYS A 39 -6.302 4.016 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.867 5.656 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.455 5.556 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.953 5.773 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.913 7.494 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.430 7.736 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.726 7.708 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.633 8.314 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.969 9.790 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.944 9.648 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.717 11.583 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.667 10.477 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.691 10.615 -7.099 1.00 0.00 H new ATOM 529 N LEU A 40 -2.886 3.456 -8.017 1.00 0.00 N ATOM 530 CA LEU A 40 -2.190 2.265 -7.560 1.00 0.00 C ATOM 531 C LEU A 40 -2.192 2.233 -6.031 1.00 0.00 C ATOM 532 O LEU A 40 -1.838 3.218 -5.385 1.00 0.00 O ATOM 533 CB LEU A 40 -0.791 2.194 -8.175 1.00 0.00 C ATOM 534 CG LEU A 40 -0.320 0.805 -8.611 1.00 0.00 C ATOM 535 CD1 LEU A 40 -0.098 -0.104 -7.401 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.291 0.189 -9.621 1.00 0.00 C ATOM 0 H LEU A 40 -2.374 4.013 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.708 1.368 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.763 2.854 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.077 2.587 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 40 0.642 0.912 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.236 -1.085 -7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.660 0.334 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.032 -0.209 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.933 -0.798 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.278 0.097 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.355 0.829 -10.501 1.00 0.00 H new ATOM 548 N GLY A 41 -2.596 1.090 -5.495 1.00 0.00 N ATOM 549 CA GLY A 41 -2.649 0.917 -4.054 1.00 0.00 C ATOM 550 C GLY A 41 -1.601 -0.095 -3.584 1.00 0.00 C ATOM 551 O GLY A 41 -1.506 -1.193 -4.129 1.00 0.00 O ATOM 0 H GLY A 41 -2.890 0.275 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.480 1.875 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.643 0.579 -3.761 1.00 0.00 H new ATOM 555 N ILE A 42 -0.842 0.312 -2.578 1.00 0.00 N ATOM 556 CA ILE A 42 0.195 -0.545 -2.029 1.00 0.00 C ATOM 557 C ILE A 42 -0.373 -1.332 -0.847 1.00 0.00 C ATOM 558 O ILE A 42 -0.425 -0.827 0.273 1.00 0.00 O ATOM 559 CB ILE A 42 1.439 0.276 -1.680 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.766 1.275 -2.792 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.626 -0.636 -1.361 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.007 0.556 -4.121 1.00 0.00 C ATOM 0 H ILE A 42 -0.924 1.224 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 42 0.520 -1.274 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 42 1.226 0.854 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.946 1.984 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.651 1.851 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.497 -0.028 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.378 -1.272 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.850 -1.258 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.237 1.289 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.844 -0.135 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.112 0.001 -4.402 1.00 0.00 H new ATOM 574 N PHE A 43 -0.784 -2.558 -1.137 1.00 0.00 N ATOM 575 CA PHE A 43 -1.346 -3.421 -0.112 1.00 0.00 C ATOM 576 C PHE A 43 -0.298 -4.402 0.415 1.00 0.00 C ATOM 577 O PHE A 43 0.741 -4.602 -0.213 1.00 0.00 O ATOM 578 CB PHE A 43 -2.483 -4.210 -0.765 1.00 0.00 C ATOM 579 CG PHE A 43 -3.596 -3.333 -1.343 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.626 -2.931 -0.551 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.556 -2.957 -2.650 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.659 -2.118 -1.088 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.589 -2.144 -3.186 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.619 -1.741 -2.394 1.00 0.00 C ATOM 0 H PHE A 43 -0.739 -2.974 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.697 -2.821 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.071 -4.829 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.914 -4.886 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.658 -3.230 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.739 -3.277 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.477 -1.799 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.557 -1.845 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.404 -1.122 -2.802 1.00 0.00 H new ATOM 594 N VAL A 44 -0.606 -4.989 1.562 1.00 0.00 N ATOM 595 CA VAL A 44 0.297 -5.945 2.180 1.00 0.00 C ATOM 596 C VAL A 44 -0.075 -7.358 1.728 1.00 0.00 C ATOM 597 O VAL A 44 -1.154 -7.853 2.053 1.00 0.00 O ATOM 598 CB VAL A 44 0.275 -5.778 3.701 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.910 -6.985 4.394 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.966 -4.479 4.120 1.00 0.00 C ATOM 0 H VAL A 44 -1.469 -4.821 2.080 1.00 0.00 H new ATOM 0 HA VAL A 44 1.323 -5.762 1.861 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.767 -5.720 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.882 -6.841 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.356 -7.887 4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.945 -7.088 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.936 -4.385 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.003 -4.494 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.451 -3.631 3.668 1.00 0.00 H new ATOM 610 N LYS A 45 0.838 -7.968 0.987 1.00 0.00 N ATOM 611 CA LYS A 45 0.618 -9.315 0.487 1.00 0.00 C ATOM 612 C LYS A 45 0.614 -10.295 1.662 1.00 0.00 C ATOM 613 O LYS A 45 -0.184 -11.231 1.691 1.00 0.00 O ATOM 614 CB LYS A 45 1.642 -9.658 -0.597 1.00 0.00 C ATOM 615 CG LYS A 45 1.549 -11.133 -0.992 1.00 0.00 C ATOM 616 CD LYS A 45 0.316 -11.391 -1.860 1.00 0.00 C ATOM 617 CE LYS A 45 0.405 -12.757 -2.545 1.00 0.00 C ATOM 618 NZ LYS A 45 -0.942 -13.353 -2.688 1.00 0.00 N ATOM 0 H LYS A 45 1.732 -7.555 0.721 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.357 -9.389 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.473 -9.032 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.647 -9.437 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.448 -11.425 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.503 -11.751 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.582 -11.346 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.226 -10.608 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.868 -12.649 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.043 -13.422 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.864 -14.279 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.370 -13.474 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.540 -12.725 -3.262 1.00 0.00 H new ATOM 632 N THR A 46 1.514 -10.047 2.602 1.00 0.00 N ATOM 633 CA THR A 46 1.624 -10.897 3.775 1.00 0.00 C ATOM 634 C THR A 46 2.564 -10.265 4.804 1.00 0.00 C ATOM 635 O THR A 46 3.203 -9.251 4.527 1.00 0.00 O ATOM 636 CB THR A 46 2.073 -12.285 3.314 1.00 0.00 C ATOM 637 OG1 THR A 46 2.351 -12.981 4.526 1.00 0.00 O ATOM 638 CG2 THR A 46 3.417 -12.253 2.585 1.00 0.00 C ATOM 0 H THR A 46 2.174 -9.270 2.575 1.00 0.00 H new ATOM 0 HA THR A 46 0.663 -11.002 4.279 1.00 0.00 H new ATOM 0 HB THR A 46 1.315 -12.712 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.511 -13.173 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.689 -13.263 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.338 -11.616 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.183 -11.857 3.251 1.00 0.00 H new ATOM 646 N VAL A 47 2.619 -10.892 5.971 1.00 0.00 N ATOM 647 CA VAL A 47 3.470 -10.404 7.042 1.00 0.00 C ATOM 648 C VAL A 47 4.419 -11.520 7.482 1.00 0.00 C ATOM 649 O VAL A 47 3.977 -12.608 7.847 1.00 0.00 O ATOM 650 CB VAL A 47 2.612 -9.863 8.188 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.479 -9.471 9.386 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.755 -8.684 7.722 1.00 0.00 C ATOM 0 H VAL A 47 2.088 -11.733 6.197 1.00 0.00 H new ATOM 0 HA VAL A 47 4.084 -9.573 6.693 1.00 0.00 H new ATOM 0 HB VAL A 47 1.941 -10.660 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.844 -9.090 10.186 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.025 -10.345 9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.187 -8.698 9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.155 -8.318 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.402 -7.884 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.097 -9.009 6.916 1.00 0.00 H new ATOM 662 N THR A 48 5.707 -11.212 7.434 1.00 0.00 N ATOM 663 CA THR A 48 6.722 -12.176 7.823 1.00 0.00 C ATOM 664 C THR A 48 6.398 -12.767 9.196 1.00 0.00 C ATOM 665 O THR A 48 5.793 -12.102 10.035 1.00 0.00 O ATOM 666 CB THR A 48 8.083 -11.478 7.767 1.00 0.00 C ATOM 667 OG1 THR A 48 8.430 -11.502 6.385 1.00 0.00 O ATOM 668 CG2 THR A 48 9.187 -12.293 8.443 1.00 0.00 C ATOM 0 H THR A 48 6.071 -10.308 7.132 1.00 0.00 H new ATOM 0 HA THR A 48 6.747 -13.023 7.137 1.00 0.00 H new ATOM 0 HB THR A 48 8.009 -10.501 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.299 -11.068 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.131 -11.753 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.933 -12.450 9.491 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.284 -13.258 7.945 1.00 0.00 H new ATOM 676 N GLU A 49 6.815 -14.011 9.383 1.00 0.00 N ATOM 677 CA GLU A 49 6.577 -14.699 10.640 1.00 0.00 C ATOM 678 C GLU A 49 7.588 -14.245 11.694 1.00 0.00 C ATOM 679 O GLU A 49 8.768 -14.582 11.614 1.00 0.00 O ATOM 680 CB GLU A 49 6.625 -16.217 10.452 1.00 0.00 C ATOM 681 CG GLU A 49 5.490 -16.901 11.215 1.00 0.00 C ATOM 682 CD GLU A 49 5.609 -18.424 11.127 1.00 0.00 C ATOM 683 OE1 GLU A 49 6.405 -18.977 11.916 1.00 0.00 O ATOM 684 OE2 GLU A 49 4.902 -19.000 10.273 1.00 0.00 O ATOM 0 H GLU A 49 7.316 -14.560 8.685 1.00 0.00 H new ATOM 0 HA GLU A 49 5.577 -14.440 10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.552 -16.458 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.584 -16.600 10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.511 -16.591 12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.530 -16.584 10.807 1.00 0.00 H new ATOM 691 N GLY A 50 7.088 -13.486 12.659 1.00 0.00 N ATOM 692 CA GLY A 50 7.934 -12.982 13.728 1.00 0.00 C ATOM 693 C GLY A 50 8.552 -11.635 13.348 1.00 0.00 C ATOM 694 O GLY A 50 9.422 -11.127 14.054 1.00 0.00 O ATOM 0 H GLY A 50 6.109 -13.208 12.723 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.347 -12.873 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.724 -13.702 13.941 1.00 0.00 H new ATOM 698 N GLY A 51 8.078 -11.095 12.235 1.00 0.00 N ATOM 699 CA GLY A 51 8.574 -9.817 11.754 1.00 0.00 C ATOM 700 C GLY A 51 8.164 -8.680 12.693 1.00 0.00 C ATOM 701 O GLY A 51 7.616 -8.925 13.767 1.00 0.00 O ATOM 0 H GLY A 51 7.356 -11.519 11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.660 -9.852 11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.185 -9.625 10.754 1.00 0.00 H new ATOM 705 N ALA A 52 8.444 -7.462 12.254 1.00 0.00 N ATOM 706 CA ALA A 52 8.112 -6.288 13.042 1.00 0.00 C ATOM 707 C ALA A 52 6.600 -6.059 12.994 1.00 0.00 C ATOM 708 O ALA A 52 5.936 -6.056 14.030 1.00 0.00 O ATOM 709 CB ALA A 52 8.900 -5.084 12.522 1.00 0.00 C ATOM 0 H ALA A 52 8.897 -7.263 11.362 1.00 0.00 H new ATOM 0 HA ALA A 52 8.391 -6.434 14.085 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.651 -4.203 13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.968 -5.285 12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.643 -4.905 11.478 1.00 0.00 H new ATOM 715 N ALA A 53 6.099 -5.873 11.781 1.00 0.00 N ATOM 716 CA ALA A 53 4.678 -5.644 11.585 1.00 0.00 C ATOM 717 C ALA A 53 3.890 -6.804 12.196 1.00 0.00 C ATOM 718 O ALA A 53 2.748 -6.628 12.619 1.00 0.00 O ATOM 719 CB ALA A 53 4.390 -5.465 10.093 1.00 0.00 C ATOM 0 H ALA A 53 6.652 -5.876 10.924 1.00 0.00 H new ATOM 0 HA ALA A 53 4.364 -4.730 12.089 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.324 -5.293 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.951 -4.610 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.690 -6.364 9.554 1.00 0.00 H new ATOM 725 N GLN A 54 4.530 -7.963 12.223 1.00 0.00 N ATOM 726 CA GLN A 54 3.903 -9.152 12.775 1.00 0.00 C ATOM 727 C GLN A 54 3.797 -9.038 14.297 1.00 0.00 C ATOM 728 O GLN A 54 2.696 -9.011 14.846 1.00 0.00 O ATOM 729 CB GLN A 54 4.670 -10.414 12.372 1.00 0.00 C ATOM 730 CG GLN A 54 3.757 -11.642 12.400 1.00 0.00 C ATOM 731 CD GLN A 54 3.825 -12.345 13.757 1.00 0.00 C ATOM 732 OE1 GLN A 54 4.056 -11.737 14.789 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.613 -13.657 13.698 1.00 0.00 N ATOM 0 H GLN A 54 5.477 -8.105 11.871 1.00 0.00 H new ATOM 0 HA GLN A 54 2.896 -9.232 12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.085 -10.288 11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.510 -10.565 13.050 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.730 -11.341 12.194 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.050 -12.336 11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.425 -14.103 12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.639 -14.217 14.550 1.00 0.00 H new ATOM 742 N ARG A 55 4.955 -8.973 14.936 1.00 0.00 N ATOM 743 CA ARG A 55 5.006 -8.862 16.384 1.00 0.00 C ATOM 744 C ARG A 55 4.055 -7.764 16.866 1.00 0.00 C ATOM 745 O ARG A 55 3.368 -7.931 17.872 1.00 0.00 O ATOM 746 CB ARG A 55 6.424 -8.545 16.863 1.00 0.00 C ATOM 747 CG ARG A 55 7.266 -9.818 16.963 1.00 0.00 C ATOM 748 CD ARG A 55 8.585 -9.547 17.691 1.00 0.00 C ATOM 749 NE ARG A 55 9.473 -8.725 16.841 1.00 0.00 N ATOM 750 CZ ARG A 55 10.745 -8.432 17.145 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.285 -8.893 18.281 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.476 -7.678 16.313 1.00 0.00 N ATOM 0 H ARG A 55 5.866 -8.995 14.478 1.00 0.00 H new ATOM 0 HA ARG A 55 4.700 -9.822 16.801 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.897 -7.845 16.174 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.382 -8.055 17.836 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.706 -10.588 17.493 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.470 -10.203 15.964 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.391 -9.033 18.632 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.074 -10.489 17.937 1.00 0.00 H new ATOM 0 HE ARG A 55 9.094 -8.358 15.968 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.728 -9.467 18.914 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.253 -8.670 18.513 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.064 -7.327 15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.444 -7.455 16.544 1.00 0.00 H new ATOM 766 N ASP A 56 4.047 -6.666 16.125 1.00 0.00 N ATOM 767 CA ASP A 56 3.191 -5.541 16.465 1.00 0.00 C ATOM 768 C ASP A 56 1.738 -6.013 16.531 1.00 0.00 C ATOM 769 O ASP A 56 1.076 -5.855 17.556 1.00 0.00 O ATOM 770 CB ASP A 56 3.283 -4.441 15.406 1.00 0.00 C ATOM 771 CG ASP A 56 2.918 -3.038 15.897 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.035 -2.957 16.778 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.531 -2.079 15.381 1.00 0.00 O ATOM 0 H ASP A 56 4.619 -6.531 15.291 1.00 0.00 H new ATOM 0 HA ASP A 56 3.519 -5.145 17.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.300 -4.419 15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.627 -4.701 14.576 1.00 0.00 H new ATOM 778 N GLY A 57 1.283 -6.584 15.425 1.00 0.00 N ATOM 779 CA GLY A 57 -0.080 -7.080 15.345 1.00 0.00 C ATOM 780 C GLY A 57 -1.001 -6.051 14.687 1.00 0.00 C ATOM 781 O GLY A 57 -1.992 -6.413 14.055 1.00 0.00 O ATOM 0 H GLY A 57 1.835 -6.714 14.577 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.100 -8.008 14.774 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.445 -7.313 16.345 1.00 0.00 H new ATOM 785 N ARG A 58 -0.640 -4.787 14.857 1.00 0.00 N ATOM 786 CA ARG A 58 -1.421 -3.703 14.288 1.00 0.00 C ATOM 787 C ARG A 58 -1.666 -3.951 12.798 1.00 0.00 C ATOM 788 O ARG A 58 -2.792 -4.231 12.388 1.00 0.00 O ATOM 789 CB ARG A 58 -0.710 -2.360 14.464 1.00 0.00 C ATOM 790 CG ARG A 58 -1.582 -1.375 15.245 1.00 0.00 C ATOM 791 CD ARG A 58 -3.037 -1.440 14.776 1.00 0.00 C ATOM 792 NE ARG A 58 -3.089 -1.717 13.323 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.198 -2.085 12.668 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.354 -2.221 13.331 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.151 -2.316 11.349 1.00 0.00 N ATOM 0 H ARG A 58 0.183 -4.490 15.381 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.374 -3.668 14.816 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.234 -2.510 14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.469 -1.942 13.487 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.529 -1.602 16.310 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.199 -0.363 15.115 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.569 -2.219 15.322 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.540 -0.498 14.993 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.226 -1.622 12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.390 -2.044 14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.198 -2.501 12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.271 -2.212 10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.995 -2.596 10.850 1.00 0.00 H new ATOM 809 N ILE A 59 -0.594 -3.838 12.028 1.00 0.00 N ATOM 810 CA ILE A 59 -0.679 -4.047 10.592 1.00 0.00 C ATOM 811 C ILE A 59 -0.992 -5.518 10.312 1.00 0.00 C ATOM 812 O ILE A 59 -0.373 -6.409 10.892 1.00 0.00 O ATOM 813 CB ILE A 59 0.592 -3.547 9.902 1.00 0.00 C ATOM 814 CG1 ILE A 59 0.734 -2.030 10.047 1.00 0.00 C ATOM 815 CG2 ILE A 59 0.632 -3.989 8.438 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.202 -1.628 10.194 1.00 0.00 C ATOM 0 H ILE A 59 0.338 -3.605 12.371 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.496 -3.461 10.170 1.00 0.00 H new ATOM 0 HB ILE A 59 1.450 -4.000 10.398 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.304 -1.536 9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.171 -1.690 10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.545 -3.620 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.612 -5.078 8.386 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.233 -3.584 7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.274 -0.545 10.295 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.623 -2.104 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.757 -1.948 9.312 1.00 0.00 H new ATOM 828 N GLN A 60 -1.952 -5.727 9.424 1.00 0.00 N ATOM 829 CA GLN A 60 -2.355 -7.075 9.060 1.00 0.00 C ATOM 830 C GLN A 60 -2.373 -7.231 7.539 1.00 0.00 C ATOM 831 O GLN A 60 -2.636 -6.272 6.815 1.00 0.00 O ATOM 832 CB GLN A 60 -3.718 -7.422 9.663 1.00 0.00 C ATOM 833 CG GLN A 60 -3.891 -6.771 11.037 1.00 0.00 C ATOM 834 CD GLN A 60 -5.347 -6.848 11.501 1.00 0.00 C ATOM 835 OE1 GLN A 60 -6.154 -7.598 10.975 1.00 0.00 O ATOM 836 NE2 GLN A 60 -5.637 -6.034 12.511 1.00 0.00 N ATOM 0 H GLN A 60 -2.463 -4.985 8.945 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.625 -7.774 9.469 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.511 -7.086 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.815 -8.504 9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.248 -7.269 11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.575 -5.729 10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.914 -5.432 12.905 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.583 -6.011 12.892 1.00 0.00 H new ATOM 845 N VAL A 61 -2.089 -8.448 7.097 1.00 0.00 N ATOM 846 CA VAL A 61 -2.069 -8.743 5.675 1.00 0.00 C ATOM 847 C VAL A 61 -3.237 -8.026 4.994 1.00 0.00 C ATOM 848 O VAL A 61 -4.280 -7.810 5.607 1.00 0.00 O ATOM 849 CB VAL A 61 -2.086 -10.256 5.453 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.164 -10.591 3.962 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.869 -10.919 6.101 1.00 0.00 C ATOM 0 H VAL A 61 -1.871 -9.241 7.700 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.150 -8.372 5.221 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.980 -10.655 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.175 -11.673 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.075 -10.166 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.298 -10.173 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.906 -11.995 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.043 -10.512 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.876 -10.723 7.173 1.00 0.00 H new ATOM 861 N ASN A 62 -3.021 -7.676 3.734 1.00 0.00 N ATOM 862 CA ASN A 62 -4.042 -6.988 2.963 1.00 0.00 C ATOM 863 C ASN A 62 -4.096 -5.520 3.391 1.00 0.00 C ATOM 864 O ASN A 62 -4.907 -4.750 2.878 1.00 0.00 O ATOM 865 CB ASN A 62 -5.423 -7.602 3.205 1.00 0.00 C ATOM 866 CG ASN A 62 -5.347 -9.130 3.226 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.193 -9.784 2.207 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.464 -9.661 4.440 1.00 0.00 N ATOM 0 H ASN A 62 -2.154 -7.856 3.228 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.786 -7.080 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.825 -7.241 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.111 -7.279 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.427 -10.673 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.591 -9.056 5.251 1.00 0.00 H new ATOM 875 N ASP A 63 -3.222 -5.177 4.325 1.00 0.00 N ATOM 876 CA ASP A 63 -3.160 -3.815 4.828 1.00 0.00 C ATOM 877 C ASP A 63 -2.758 -2.875 3.690 1.00 0.00 C ATOM 878 O ASP A 63 -1.953 -3.238 2.834 1.00 0.00 O ATOM 879 CB ASP A 63 -2.116 -3.686 5.939 1.00 0.00 C ATOM 880 CG ASP A 63 -1.166 -2.495 5.799 1.00 0.00 C ATOM 881 OD1 ASP A 63 -1.679 -1.388 5.528 1.00 0.00 O ATOM 882 OD2 ASP A 63 0.053 -2.719 5.965 1.00 0.00 O ATOM 0 H ASP A 63 -2.551 -5.819 4.747 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.142 -3.556 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.633 -3.609 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.525 -4.601 5.969 1.00 0.00 H new ATOM 887 N GLN A 64 -3.336 -1.683 3.718 1.00 0.00 N ATOM 888 CA GLN A 64 -3.048 -0.687 2.700 1.00 0.00 C ATOM 889 C GLN A 64 -2.245 0.469 3.300 1.00 0.00 C ATOM 890 O GLN A 64 -2.778 1.264 4.072 1.00 0.00 O ATOM 891 CB GLN A 64 -4.337 -0.180 2.049 1.00 0.00 C ATOM 892 CG GLN A 64 -4.031 0.644 0.797 1.00 0.00 C ATOM 893 CD GLN A 64 -5.195 1.577 0.457 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.318 1.397 0.898 1.00 0.00 O ATOM 895 NE2 GLN A 64 -4.865 2.581 -0.350 1.00 0.00 N ATOM 0 H GLN A 64 -4.003 -1.385 4.430 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.446 -1.155 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.973 -1.025 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.894 0.428 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.125 1.229 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.837 -0.023 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.905 2.673 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.572 3.259 -0.636 1.00 0.00 H new ATOM 904 N ILE A 65 -0.977 0.525 2.922 1.00 0.00 N ATOM 905 CA ILE A 65 -0.095 1.570 3.413 1.00 0.00 C ATOM 906 C ILE A 65 -0.332 2.850 2.609 1.00 0.00 C ATOM 907 O ILE A 65 0.367 3.112 1.632 1.00 0.00 O ATOM 908 CB ILE A 65 1.359 1.095 3.398 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.545 -0.130 4.296 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.311 2.232 3.776 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.698 -1.004 3.798 1.00 0.00 C ATOM 0 H ILE A 65 -0.539 -0.137 2.281 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.320 1.800 4.454 1.00 0.00 H new ATOM 0 HB ILE A 65 1.608 0.790 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.743 0.191 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.624 -0.713 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.338 1.868 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.203 3.049 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.071 2.590 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.809 -1.868 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.486 -1.343 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.621 -0.425 3.801 1.00 0.00 H new ATOM 923 N VAL A 66 -1.320 3.614 3.051 1.00 0.00 N ATOM 924 CA VAL A 66 -1.658 4.861 2.385 1.00 0.00 C ATOM 925 C VAL A 66 -0.472 5.823 2.481 1.00 0.00 C ATOM 926 O VAL A 66 -0.177 6.546 1.530 1.00 0.00 O ATOM 927 CB VAL A 66 -2.945 5.439 2.978 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.345 6.731 2.264 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.079 4.413 2.931 1.00 0.00 C ATOM 0 H VAL A 66 -1.898 3.394 3.862 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.852 4.688 1.326 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.754 5.679 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.263 7.121 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.549 7.468 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.509 6.526 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.982 4.849 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.269 4.127 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.795 3.531 3.505 1.00 0.00 H new ATOM 939 N GLU A 67 0.177 5.800 3.636 1.00 0.00 N ATOM 940 CA GLU A 67 1.324 6.660 3.867 1.00 0.00 C ATOM 941 C GLU A 67 2.372 5.932 4.712 1.00 0.00 C ATOM 942 O GLU A 67 2.048 4.989 5.431 1.00 0.00 O ATOM 943 CB GLU A 67 0.900 7.972 4.531 1.00 0.00 C ATOM 944 CG GLU A 67 2.076 8.622 5.263 1.00 0.00 C ATOM 945 CD GLU A 67 1.640 9.905 5.973 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.528 10.932 5.270 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.427 9.828 7.202 1.00 0.00 O ATOM 0 H GLU A 67 -0.070 5.199 4.422 1.00 0.00 H new ATOM 0 HA GLU A 67 1.770 6.906 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.513 8.657 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.089 7.782 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.488 7.922 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.871 8.848 4.552 1.00 0.00 H new ATOM 954 N VAL A 68 3.607 6.399 4.596 1.00 0.00 N ATOM 955 CA VAL A 68 4.704 5.804 5.340 1.00 0.00 C ATOM 956 C VAL A 68 5.666 6.905 5.789 1.00 0.00 C ATOM 957 O VAL A 68 6.244 7.606 4.960 1.00 0.00 O ATOM 958 CB VAL A 68 5.384 4.724 4.495 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.900 4.928 4.462 1.00 0.00 C ATOM 960 CG2 VAL A 68 5.030 3.326 5.005 1.00 0.00 C ATOM 0 H VAL A 68 3.872 7.182 3.998 1.00 0.00 H new ATOM 0 HA VAL A 68 4.333 5.310 6.238 1.00 0.00 H new ATOM 0 HB VAL A 68 5.012 4.813 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.359 4.148 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.127 5.903 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.296 4.879 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.526 2.577 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.361 3.221 6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.951 3.182 4.953 1.00 0.00 H new ATOM 970 N ASP A 69 5.808 7.024 7.101 1.00 0.00 N ATOM 971 CA ASP A 69 6.690 8.029 7.671 1.00 0.00 C ATOM 972 C ASP A 69 6.348 9.397 7.077 1.00 0.00 C ATOM 973 O ASP A 69 7.170 10.312 7.105 1.00 0.00 O ATOM 974 CB ASP A 69 8.153 7.724 7.346 1.00 0.00 C ATOM 975 CG ASP A 69 9.001 7.277 8.539 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.551 7.522 9.679 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.080 6.701 8.284 1.00 0.00 O ATOM 0 H ASP A 69 5.327 6.441 7.786 1.00 0.00 H new ATOM 0 HA ASP A 69 6.552 8.025 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.186 6.945 6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.606 8.615 6.911 1.00 0.00 H new ATOM 982 N GLY A 70 5.135 9.493 6.553 1.00 0.00 N ATOM 983 CA GLY A 70 4.675 10.734 5.953 1.00 0.00 C ATOM 984 C GLY A 70 4.580 10.605 4.431 1.00 0.00 C ATOM 985 O GLY A 70 3.778 11.287 3.796 1.00 0.00 O ATOM 0 H GLY A 70 4.457 8.732 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.700 11.000 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.359 11.542 6.211 1.00 0.00 H new ATOM 989 N ILE A 71 5.411 9.726 3.891 1.00 0.00 N ATOM 990 CA ILE A 71 5.430 9.499 2.456 1.00 0.00 C ATOM 991 C ILE A 71 4.105 8.866 2.026 1.00 0.00 C ATOM 992 O ILE A 71 3.606 7.954 2.684 1.00 0.00 O ATOM 993 CB ILE A 71 6.660 8.680 2.060 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.945 9.484 2.268 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.535 8.161 0.626 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.177 8.657 1.893 1.00 0.00 C ATOM 0 H ILE A 71 6.076 9.163 4.421 1.00 0.00 H new ATOM 0 HA ILE A 71 5.520 10.445 1.922 1.00 0.00 H new ATOM 0 HB ILE A 71 6.715 7.810 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.913 10.390 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.017 9.798 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.422 7.582 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.652 7.527 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.441 9.004 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.076 9.252 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.219 7.764 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.114 8.365 0.845 1.00 0.00 H new ATOM 1008 N SER A 72 3.573 9.375 0.924 1.00 0.00 N ATOM 1009 CA SER A 72 2.316 8.871 0.398 1.00 0.00 C ATOM 1010 C SER A 72 2.582 7.757 -0.617 1.00 0.00 C ATOM 1011 O SER A 72 3.378 7.930 -1.539 1.00 0.00 O ATOM 1012 CB SER A 72 1.499 9.993 -0.246 1.00 0.00 C ATOM 1013 OG SER A 72 0.478 9.486 -1.101 1.00 0.00 O ATOM 0 H SER A 72 3.990 10.131 0.381 1.00 0.00 H new ATOM 0 HA SER A 72 1.736 8.466 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.048 10.606 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.162 10.642 -0.818 1.00 0.00 H new ATOM 0 HG SER A 72 -0.022 10.233 -1.492 1.00 0.00 H new ATOM 1019 N LEU A 73 1.901 6.639 -0.412 1.00 0.00 N ATOM 1020 CA LEU A 73 2.054 5.497 -1.298 1.00 0.00 C ATOM 1021 C LEU A 73 0.748 5.273 -2.063 1.00 0.00 C ATOM 1022 O LEU A 73 0.331 4.133 -2.265 1.00 0.00 O ATOM 1023 CB LEU A 73 2.526 4.271 -0.515 1.00 0.00 C ATOM 1024 CG LEU A 73 3.761 4.473 0.367 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.119 3.185 1.111 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.937 5.008 -0.452 1.00 0.00 C ATOM 0 H LEU A 73 1.242 6.500 0.354 1.00 0.00 H new ATOM 0 HA LEU A 73 2.829 5.691 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.705 3.929 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.737 3.471 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 73 3.525 5.225 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.000 3.355 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.283 2.886 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.330 2.395 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.802 5.143 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.184 4.298 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.665 5.965 -0.897 1.00 0.00 H new ATOM 1038 N VAL A 74 0.140 6.378 -2.469 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.110 6.316 -3.208 1.00 0.00 C ATOM 1040 C VAL A 74 -0.867 6.765 -4.651 1.00 0.00 C ATOM 1041 O VAL A 74 -0.149 7.734 -4.890 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.180 7.145 -2.496 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.482 7.167 -3.300 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.422 6.626 -1.077 1.00 0.00 C ATOM 0 H VAL A 74 0.490 7.321 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.482 5.292 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.815 8.169 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.226 7.763 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.297 7.605 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.852 6.149 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.187 7.233 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.755 5.589 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.496 6.686 -0.505 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.480 6.038 -5.574 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.340 6.350 -6.986 1.00 0.00 C ATOM 1056 C GLY A 75 0.131 6.338 -7.407 1.00 0.00 C ATOM 1057 O GLY A 75 0.560 7.172 -8.203 1.00 0.00 O ATOM 0 H GLY A 75 -2.074 5.234 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.898 5.625 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.772 7.329 -7.190 1.00 0.00 H new ATOM 1061 N VAL A 76 0.864 5.382 -6.853 1.00 0.00 N ATOM 1062 CA VAL A 76 2.278 5.251 -7.161 1.00 0.00 C ATOM 1063 C VAL A 76 2.594 3.786 -7.470 1.00 0.00 C ATOM 1064 O VAL A 76 1.984 2.882 -6.901 1.00 0.00 O ATOM 1065 CB VAL A 76 3.118 5.814 -6.013 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.668 7.230 -5.648 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.070 4.892 -4.794 1.00 0.00 C ATOM 0 H VAL A 76 0.505 4.692 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 76 2.532 5.833 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 76 4.153 5.868 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.281 7.607 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.779 7.882 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.623 7.211 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.675 5.316 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.039 4.791 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.461 3.911 -5.064 1.00 0.00 H new ATOM 1077 N THR A 77 3.547 3.597 -8.371 1.00 0.00 N ATOM 1078 CA THR A 77 3.951 2.257 -8.762 1.00 0.00 C ATOM 1079 C THR A 77 4.646 1.548 -7.598 1.00 0.00 C ATOM 1080 O THR A 77 5.421 2.162 -6.866 1.00 0.00 O ATOM 1081 CB THR A 77 4.826 2.373 -10.012 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.224 1.032 -10.284 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.142 3.104 -9.740 1.00 0.00 C ATOM 0 H THR A 77 4.051 4.349 -8.841 1.00 0.00 H new ATOM 0 HA THR A 77 3.087 1.640 -9.008 1.00 0.00 H new ATOM 0 HB THR A 77 4.274 2.897 -10.793 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.794 1.015 -11.081 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.725 3.159 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.931 4.112 -9.384 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.709 2.563 -8.983 1.00 0.00 H new ATOM 1091 N GLN A 78 4.344 0.265 -7.463 1.00 0.00 N ATOM 1092 CA GLN A 78 4.929 -0.534 -6.400 1.00 0.00 C ATOM 1093 C GLN A 78 6.387 -0.127 -6.172 1.00 0.00 C ATOM 1094 O GLN A 78 6.813 0.053 -5.032 1.00 0.00 O ATOM 1095 CB GLN A 78 4.820 -2.028 -6.714 1.00 0.00 C ATOM 1096 CG GLN A 78 5.156 -2.872 -5.483 1.00 0.00 C ATOM 1097 CD GLN A 78 5.919 -4.138 -5.878 1.00 0.00 C ATOM 1098 OE1 GLN A 78 5.345 -5.165 -6.200 1.00 0.00 O ATOM 1099 NE2 GLN A 78 7.242 -4.007 -5.835 1.00 0.00 N ATOM 0 H GLN A 78 3.701 -0.241 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 78 4.372 -0.347 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.810 -2.259 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.497 -2.282 -7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.755 -2.284 -4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.238 -3.144 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.658 -3.118 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.841 -4.795 -6.081 1.00 0.00 H new ATOM 1108 N ASN A 79 7.110 0.006 -7.274 1.00 0.00 N ATOM 1109 CA ASN A 79 8.510 0.389 -7.208 1.00 0.00 C ATOM 1110 C ASN A 79 8.677 1.524 -6.196 1.00 0.00 C ATOM 1111 O ASN A 79 9.477 1.420 -5.267 1.00 0.00 O ATOM 1112 CB ASN A 79 9.009 0.888 -8.565 1.00 0.00 C ATOM 1113 CG ASN A 79 9.876 -0.169 -9.253 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.957 -0.512 -8.802 1.00 0.00 O ATOM 1115 ND2 ASN A 79 9.344 -0.663 -10.367 1.00 0.00 N ATOM 0 H ASN A 79 6.753 -0.145 -8.217 1.00 0.00 H new ATOM 0 HA ASN A 79 9.086 -0.488 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.159 1.136 -9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.584 1.804 -8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.845 -1.374 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.435 -0.331 -10.688 1.00 0.00 H new ATOM 1122 N PHE A 80 7.910 2.583 -6.411 1.00 0.00 N ATOM 1123 CA PHE A 80 7.963 3.737 -5.529 1.00 0.00 C ATOM 1124 C PHE A 80 7.836 3.314 -4.064 1.00 0.00 C ATOM 1125 O PHE A 80 8.709 3.610 -3.251 1.00 0.00 O ATOM 1126 CB PHE A 80 6.778 4.633 -5.894 1.00 0.00 C ATOM 1127 CG PHE A 80 6.621 5.856 -4.988 1.00 0.00 C ATOM 1128 CD1 PHE A 80 5.911 5.759 -3.832 1.00 0.00 C ATOM 1129 CD2 PHE A 80 7.191 7.040 -5.339 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.765 6.894 -2.991 1.00 0.00 C ATOM 1131 CE2 PHE A 80 7.045 8.175 -4.498 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.335 8.078 -3.342 1.00 0.00 C ATOM 0 H PHE A 80 7.249 2.666 -7.183 1.00 0.00 H new ATOM 0 HA PHE A 80 8.915 4.253 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.894 4.969 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.863 4.043 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.458 4.819 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.755 7.117 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.201 6.817 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.498 9.115 -4.776 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.224 8.941 -2.703 1.00 0.00 H new ATOM 1142 N ALA A 81 6.740 2.627 -3.773 1.00 0.00 N ATOM 1143 CA ALA A 81 6.487 2.161 -2.420 1.00 0.00 C ATOM 1144 C ALA A 81 7.687 1.345 -1.934 1.00 0.00 C ATOM 1145 O ALA A 81 8.197 1.577 -0.839 1.00 0.00 O ATOM 1146 CB ALA A 81 5.186 1.356 -2.393 1.00 0.00 C ATOM 0 H ALA A 81 6.018 2.382 -4.451 1.00 0.00 H new ATOM 0 HA ALA A 81 6.364 3.004 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.996 1.006 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.360 1.988 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.274 0.500 -3.062 1.00 0.00 H new ATOM 1152 N ALA A 82 8.104 0.408 -2.772 1.00 0.00 N ATOM 1153 CA ALA A 82 9.235 -0.443 -2.441 1.00 0.00 C ATOM 1154 C ALA A 82 10.412 0.429 -1.999 1.00 0.00 C ATOM 1155 O ALA A 82 11.068 0.133 -1.002 1.00 0.00 O ATOM 1156 CB ALA A 82 9.581 -1.323 -3.644 1.00 0.00 C ATOM 0 H ALA A 82 7.679 0.219 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 82 8.987 -1.106 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.429 -1.961 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.722 -1.944 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.838 -0.692 -4.495 1.00 0.00 H new ATOM 1162 N THR A 83 10.642 1.487 -2.763 1.00 0.00 N ATOM 1163 CA THR A 83 11.728 2.405 -2.462 1.00 0.00 C ATOM 1164 C THR A 83 11.503 3.072 -1.104 1.00 0.00 C ATOM 1165 O THR A 83 12.389 3.068 -0.252 1.00 0.00 O ATOM 1166 CB THR A 83 11.839 3.401 -3.618 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.263 2.606 -4.722 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.979 4.402 -3.421 1.00 0.00 C ATOM 0 H THR A 83 10.095 1.729 -3.589 1.00 0.00 H new ATOM 0 HA THR A 83 12.678 1.878 -2.375 1.00 0.00 H new ATOM 0 HB THR A 83 10.897 3.939 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.498 2.108 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.014 5.086 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.811 4.969 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.925 3.866 -3.348 1.00 0.00 H new ATOM 1176 N VAL A 84 10.311 3.630 -0.946 1.00 0.00 N ATOM 1177 CA VAL A 84 9.958 4.300 0.294 1.00 0.00 C ATOM 1178 C VAL A 84 10.216 3.356 1.470 1.00 0.00 C ATOM 1179 O VAL A 84 10.940 3.704 2.402 1.00 0.00 O ATOM 1180 CB VAL A 84 8.510 4.792 0.228 1.00 0.00 C ATOM 1181 CG1 VAL A 84 8.065 5.366 1.575 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.330 5.819 -0.891 1.00 0.00 C ATOM 0 H VAL A 84 9.578 3.632 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 84 10.581 5.182 0.443 1.00 0.00 H new ATOM 0 HB VAL A 84 7.875 3.935 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.033 5.709 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.137 4.594 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.707 6.205 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.292 6.152 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.981 6.674 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.588 5.364 -1.847 1.00 0.00 H new ATOM 1192 N LEU A 85 9.610 2.181 1.389 1.00 0.00 N ATOM 1193 CA LEU A 85 9.765 1.185 2.435 1.00 0.00 C ATOM 1194 C LEU A 85 11.254 0.927 2.671 1.00 0.00 C ATOM 1195 O LEU A 85 11.652 0.515 3.760 1.00 0.00 O ATOM 1196 CB LEU A 85 8.969 -0.077 2.096 1.00 0.00 C ATOM 1197 CG LEU A 85 7.455 0.102 1.956 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.818 -1.119 1.291 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.813 0.419 3.308 1.00 0.00 C ATOM 0 H LEU A 85 9.010 1.896 0.615 1.00 0.00 H new ATOM 0 HA LEU A 85 9.352 1.552 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.354 -0.486 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.157 -0.820 2.871 1.00 0.00 H new ATOM 0 HG LEU A 85 7.271 0.956 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.742 -0.966 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.247 -1.258 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.010 -2.005 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.737 0.541 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.005 -0.399 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.238 1.340 3.706 1.00 0.00 H new ATOM 1211 N ARG A 86 12.038 1.180 1.633 1.00 0.00 N ATOM 1212 CA ARG A 86 13.475 0.981 1.713 1.00 0.00 C ATOM 1213 C ARG A 86 14.156 2.241 2.251 1.00 0.00 C ATOM 1214 O ARG A 86 15.285 2.181 2.736 1.00 0.00 O ATOM 1215 CB ARG A 86 14.061 0.637 0.343 1.00 0.00 C ATOM 1216 CG ARG A 86 13.830 -0.836 0.001 1.00 0.00 C ATOM 1217 CD ARG A 86 15.030 -1.420 -0.747 1.00 0.00 C ATOM 1218 NE ARG A 86 14.806 -2.857 -1.021 1.00 0.00 N ATOM 1219 CZ ARG A 86 14.864 -3.817 -0.089 1.00 0.00 C ATOM 1220 NH1 ARG A 86 15.140 -3.500 1.184 1.00 0.00 N ATOM 1221 NH2 ARG A 86 14.647 -5.095 -0.428 1.00 0.00 N ATOM 0 H ARG A 86 11.705 1.521 0.731 1.00 0.00 H new ATOM 0 HA ARG A 86 13.657 0.148 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.604 1.267 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.130 0.852 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.656 -1.403 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.933 -0.935 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.182 -0.882 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.936 -1.291 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 86 14.594 -3.134 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.306 -2.527 1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.184 -4.231 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.437 -5.337 -1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.691 -5.826 0.282 1.00 0.00 H new ATOM 1235 N ASN A 87 13.442 3.352 2.146 1.00 0.00 N ATOM 1236 CA ASN A 87 13.963 4.624 2.616 1.00 0.00 C ATOM 1237 C ASN A 87 13.775 4.720 4.131 1.00 0.00 C ATOM 1238 O ASN A 87 14.641 5.234 4.837 1.00 0.00 O ATOM 1239 CB ASN A 87 13.220 5.795 1.972 1.00 0.00 C ATOM 1240 CG ASN A 87 14.027 6.388 0.815 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.910 7.210 0.997 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.677 5.925 -0.382 1.00 0.00 N ATOM 0 H ASN A 87 12.506 3.398 1.742 1.00 0.00 H new ATOM 0 HA ASN A 87 15.018 4.675 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.249 5.458 1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.030 6.565 2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.157 6.258 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.928 5.237 -0.464 1.00 0.00 H new ATOM 1249 N THR A 88 12.636 4.217 4.586 1.00 0.00 N ATOM 1250 CA THR A 88 12.323 4.239 6.005 1.00 0.00 C ATOM 1251 C THR A 88 13.557 3.868 6.830 1.00 0.00 C ATOM 1252 O THR A 88 14.526 3.331 6.296 1.00 0.00 O ATOM 1253 CB THR A 88 11.132 3.308 6.241 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.606 2.028 5.833 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.967 3.594 5.290 1.00 0.00 C ATOM 0 H THR A 88 11.919 3.792 3.997 1.00 0.00 H new ATOM 0 HA THR A 88 12.042 5.240 6.332 1.00 0.00 H new ATOM 0 HB THR A 88 10.792 3.408 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.291 1.836 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.148 2.906 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.625 4.619 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.297 3.461 4.260 1.00 0.00 H new ATOM 1263 N LYS A 89 13.480 4.170 8.118 1.00 0.00 N ATOM 1264 CA LYS A 89 14.579 3.875 9.022 1.00 0.00 C ATOM 1265 C LYS A 89 14.031 3.200 10.281 1.00 0.00 C ATOM 1266 O LYS A 89 12.870 2.795 10.317 1.00 0.00 O ATOM 1267 CB LYS A 89 15.393 5.139 9.307 1.00 0.00 C ATOM 1268 CG LYS A 89 16.092 5.637 8.041 1.00 0.00 C ATOM 1269 CD LYS A 89 17.215 6.618 8.385 1.00 0.00 C ATOM 1270 CE LYS A 89 16.912 8.013 7.835 1.00 0.00 C ATOM 1271 NZ LYS A 89 16.813 8.994 8.939 1.00 0.00 N ATOM 0 H LYS A 89 12.674 4.616 8.557 1.00 0.00 H new ATOM 0 HA LYS A 89 15.274 3.174 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.737 5.918 9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.134 4.932 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.500 4.790 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.367 6.123 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.340 6.669 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.157 6.257 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.696 8.315 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.979 7.994 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.607 9.936 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.049 8.712 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.713 9.024 9.459 1.00 0.00 H new ATOM 1285 N GLY A 90 14.892 3.099 11.283 1.00 0.00 N ATOM 1286 CA GLY A 90 14.508 2.481 12.540 1.00 0.00 C ATOM 1287 C GLY A 90 12.993 2.537 12.739 1.00 0.00 C ATOM 1288 O GLY A 90 12.288 1.572 12.450 1.00 0.00 O ATOM 0 H GLY A 90 15.854 3.435 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.842 1.444 12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.006 2.989 13.366 1.00 0.00 H new ATOM 1292 N ASN A 91 12.535 3.679 13.233 1.00 0.00 N ATOM 1293 CA ASN A 91 11.116 3.874 13.474 1.00 0.00 C ATOM 1294 C ASN A 91 10.441 4.330 12.179 1.00 0.00 C ATOM 1295 O ASN A 91 10.962 5.191 11.472 1.00 0.00 O ATOM 1296 CB ASN A 91 10.881 4.953 14.534 1.00 0.00 C ATOM 1297 CG ASN A 91 9.996 4.426 15.665 1.00 0.00 C ATOM 1298 OD1 ASN A 91 10.272 4.607 16.840 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.920 3.764 15.247 1.00 0.00 N ATOM 0 H ASN A 91 13.122 4.478 13.473 1.00 0.00 H new ATOM 0 HA ASN A 91 10.700 2.929 13.822 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.837 5.284 14.940 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.411 5.823 14.075 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.267 3.372 15.925 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.748 3.649 14.248 1.00 0.00 H new ATOM 1306 N VAL A 92 9.290 3.731 11.906 1.00 0.00 N ATOM 1307 CA VAL A 92 8.538 4.064 10.709 1.00 0.00 C ATOM 1308 C VAL A 92 7.057 4.204 11.064 1.00 0.00 C ATOM 1309 O VAL A 92 6.529 3.426 11.858 1.00 0.00 O ATOM 1310 CB VAL A 92 8.796 3.019 9.621 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.201 3.461 8.283 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.292 2.726 9.486 1.00 0.00 C ATOM 0 H VAL A 92 8.861 3.017 12.494 1.00 0.00 H new ATOM 0 HA VAL A 92 8.867 5.022 10.306 1.00 0.00 H new ATOM 0 HB VAL A 92 8.299 2.096 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.399 2.700 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.125 3.595 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.655 4.403 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.448 1.980 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.820 3.642 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.675 2.346 10.433 1.00 0.00 H new ATOM 1322 N ARG A 93 6.428 5.201 10.460 1.00 0.00 N ATOM 1323 CA ARG A 93 5.017 5.452 10.703 1.00 0.00 C ATOM 1324 C ARG A 93 4.186 5.028 9.490 1.00 0.00 C ATOM 1325 O ARG A 93 4.214 5.687 8.452 1.00 0.00 O ATOM 1326 CB ARG A 93 4.764 6.933 10.993 1.00 0.00 C ATOM 1327 CG ARG A 93 3.942 7.109 12.271 1.00 0.00 C ATOM 1328 CD ARG A 93 3.262 8.479 12.302 1.00 0.00 C ATOM 1329 NE ARG A 93 3.762 9.266 13.451 1.00 0.00 N ATOM 1330 CZ ARG A 93 3.285 10.468 13.803 1.00 0.00 C ATOM 1331 NH1 ARG A 93 2.294 11.029 13.096 1.00 0.00 N ATOM 1332 NH2 ARG A 93 3.799 11.109 14.861 1.00 0.00 N ATOM 0 H ARG A 93 6.869 5.845 9.803 1.00 0.00 H new ATOM 0 HA ARG A 93 4.721 4.867 11.573 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.715 7.455 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.238 7.387 10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.189 6.324 12.334 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.589 7.001 13.141 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.458 9.013 11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.182 8.356 12.377 1.00 0.00 H new ATOM 0 HE ARG A 93 4.517 8.869 14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.903 10.541 12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.931 11.944 13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.553 10.682 15.399 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.436 12.024 15.129 1.00 0.00 H new ATOM 1346 N PHE A 94 3.466 3.929 9.663 1.00 0.00 N ATOM 1347 CA PHE A 94 2.628 3.409 8.596 1.00 0.00 C ATOM 1348 C PHE A 94 1.158 3.760 8.832 1.00 0.00 C ATOM 1349 O PHE A 94 0.591 3.411 9.866 1.00 0.00 O ATOM 1350 CB PHE A 94 2.784 1.887 8.606 1.00 0.00 C ATOM 1351 CG PHE A 94 4.193 1.403 8.255 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.572 1.303 6.952 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.065 1.074 9.244 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.879 0.854 6.626 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.372 0.625 8.918 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.751 0.525 7.616 1.00 0.00 C ATOM 0 H PHE A 94 3.446 3.385 10.525 1.00 0.00 H new ATOM 0 HA PHE A 94 2.929 3.843 7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.518 1.511 9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.076 1.455 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.879 1.565 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.764 1.154 10.278 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.180 0.774 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.065 0.363 9.704 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.745 0.184 7.368 1.00 0.00 H new ATOM 1366 N VAL A 95 0.582 4.447 7.856 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.811 4.850 7.945 1.00 0.00 C ATOM 1368 C VAL A 95 -1.672 3.873 7.141 1.00 0.00 C ATOM 1369 O VAL A 95 -1.838 4.036 5.933 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.966 6.301 7.487 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.367 6.551 6.923 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.653 7.272 8.626 1.00 0.00 C ATOM 0 H VAL A 95 1.055 4.735 6.999 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.155 4.812 8.979 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.246 6.479 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.451 7.590 6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.538 5.895 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.111 6.346 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.771 8.297 8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.337 7.093 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.373 7.120 8.962 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.196 2.880 7.843 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.036 1.877 7.210 1.00 0.00 C ATOM 1384 C ILE A 96 -4.446 2.442 7.024 1.00 0.00 C ATOM 1385 O ILE A 96 -4.870 3.320 7.774 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.997 0.568 8.001 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.590 0.292 8.535 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.531 -0.595 7.163 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.539 0.500 7.443 1.00 0.00 C ATOM 0 H ILE A 96 -2.055 2.748 8.845 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.656 1.634 6.218 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.654 0.671 8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.381 0.952 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.533 -0.730 8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.492 -1.513 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.562 -0.392 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.919 -0.709 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.452 0.297 7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.737 -0.179 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.582 1.530 7.088 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.132 1.916 6.020 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.485 2.357 5.727 1.00 0.00 C ATOM 1403 C GLY A 97 -7.458 1.175 5.721 1.00 0.00 C ATOM 1404 O GLY A 97 -7.475 0.385 4.778 1.00 0.00 O ATOM 0 H GLY A 97 -4.776 1.189 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.801 3.089 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.507 2.856 4.758 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.244 1.092 6.784 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.216 0.021 6.913 1.00 0.00 C ATOM 1410 C ARG A 98 -10.637 0.589 6.903 1.00 0.00 C ATOM 1411 O ARG A 98 -10.843 1.760 7.220 1.00 0.00 O ATOM 1412 CB ARG A 98 -8.999 -0.768 8.207 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.567 -2.204 7.907 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.185 -2.495 8.497 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.311 -3.415 9.650 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.531 -3.014 10.910 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -7.651 -1.709 11.186 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -7.630 -3.919 11.893 1.00 0.00 N ATOM 0 H ARG A 98 -8.227 1.749 7.564 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.083 -0.650 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.240 -0.275 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.919 -0.776 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.297 -2.901 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.547 -2.364 6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.542 -2.938 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.712 -1.565 8.813 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.225 -4.416 9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.575 -1.020 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.818 -1.404 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.538 -4.913 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.797 -3.614 12.852 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.580 -0.266 6.536 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.975 0.136 6.481 1.00 0.00 C ATOM 1434 C GLU A 99 -13.523 0.348 7.894 1.00 0.00 C ATOM 1435 O GLU A 99 -13.312 -0.483 8.776 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.812 -0.891 5.717 1.00 0.00 C ATOM 1437 CG GLU A 99 -14.624 -0.220 4.606 1.00 0.00 C ATOM 1438 CD GLU A 99 -14.910 -1.201 3.467 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -14.115 -2.156 3.328 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -15.916 -0.974 2.762 1.00 0.00 O ATOM 0 H GLU A 99 -11.405 -1.236 6.274 1.00 0.00 H new ATOM 0 HA GLU A 99 -13.039 1.081 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.159 -1.650 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.485 -1.402 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.563 0.154 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.078 0.641 4.221 1.00 0.00 H new