USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 10 TYR OH : rot -79:sc= 0.375 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.351 K(o=0.73,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot -160:sc= 0.119 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 95:sc= 1.26 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 39 MET CE :methyl -172:sc= 0 (180deg=-0.12) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.48) USER MOD Single : A 57 MET CE :methyl -112:sc= -3.23! (180deg=-6.12!) USER MOD Single : A 67 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.78) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00314 X(o=-0.0031,f=-0.3) USER MOD Single : A 76 MET CE :methyl -175:sc= -2.75! (180deg=-2.8!) USER MOD Single : A 78 SER OG : rot 140:sc= 0 USER MOD Single : A 79 TYR OH : rot 130:sc= -2.23 USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= 0.493 (180deg=-0.00358) USER MOD Single : A 81 GLN : amide:sc= -0.895 K(o=-0.89,f=-1.9!) USER MOD Single : A 83 MET CE :methyl -161:sc= -0.0415 (180deg=-0.611) USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 1.27 (180deg=0.156) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -132:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 88 N TYR A 10 -7.496 -8.935 -2.836 1.00 0.00 N ATOM 89 CA TYR A 10 -6.720 -7.907 -2.163 1.00 0.00 C ATOM 90 C TYR A 10 -5.795 -7.186 -3.146 1.00 0.00 C ATOM 91 O TYR A 10 -5.916 -5.979 -3.347 1.00 0.00 O ATOM 92 CB TYR A 10 -5.869 -8.635 -1.121 1.00 0.00 C ATOM 93 CG TYR A 10 -6.618 -8.967 0.172 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.459 -8.033 0.741 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.452 -10.201 0.768 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.164 -8.346 1.957 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.156 -10.513 1.985 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.978 -9.570 2.519 1.00 0.00 C ATOM 99 OH TYR A 10 -8.643 -9.865 3.668 1.00 0.00 O ATOM 0 HA TYR A 10 -7.377 -7.160 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.491 -9.559 -1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.003 -8.019 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.589 -7.068 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.794 -10.932 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.826 -7.624 2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.034 -11.474 2.463 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.184 -9.449 4.427 1.00 0.00 H new ATOM 109 N GLU A 11 -4.890 -7.958 -3.731 1.00 0.00 N ATOM 110 CA GLU A 11 -3.944 -7.408 -4.688 1.00 0.00 C ATOM 111 C GLU A 11 -4.631 -6.367 -5.574 1.00 0.00 C ATOM 112 O GLU A 11 -4.126 -5.258 -5.740 1.00 0.00 O ATOM 113 CB GLU A 11 -3.312 -8.516 -5.532 1.00 0.00 C ATOM 114 CG GLU A 11 -2.644 -9.568 -4.644 1.00 0.00 C ATOM 115 CD GLU A 11 -3.574 -10.761 -4.413 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.731 -10.509 -4.012 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.108 -11.898 -4.641 1.00 0.00 O ATOM 0 H GLU A 11 -4.792 -8.959 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.143 -6.915 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.076 -8.988 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.575 -8.086 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.719 -9.908 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.374 -9.122 -3.687 1.00 0.00 H new ATOM 124 N GLN A 12 -5.771 -6.762 -6.122 1.00 0.00 N ATOM 125 CA GLN A 12 -6.532 -5.877 -6.987 1.00 0.00 C ATOM 126 C GLN A 12 -6.619 -4.479 -6.372 1.00 0.00 C ATOM 127 O GLN A 12 -6.091 -3.518 -6.929 1.00 0.00 O ATOM 128 CB GLN A 12 -7.926 -6.444 -7.261 1.00 0.00 C ATOM 129 CG GLN A 12 -8.639 -5.642 -8.352 1.00 0.00 C ATOM 130 CD GLN A 12 -9.968 -5.081 -7.840 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.571 -5.594 -6.911 1.00 0.00 O ATOM 132 NE2 GLN A 12 -10.388 -4.003 -8.494 1.00 0.00 N ATOM 0 H GLN A 12 -6.186 -7.683 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.013 -5.800 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.845 -7.487 -7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.517 -6.425 -6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.999 -4.825 -8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.819 -6.279 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.834 -3.625 -9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.264 -3.554 -8.227 1.00 0.00 H new ATOM 141 N ASP A 13 -7.290 -4.410 -5.232 1.00 0.00 N ATOM 142 CA ASP A 13 -7.453 -3.145 -4.535 1.00 0.00 C ATOM 143 C ASP A 13 -6.092 -2.458 -4.408 1.00 0.00 C ATOM 144 O ASP A 13 -5.934 -1.307 -4.812 1.00 0.00 O ATOM 145 CB ASP A 13 -8.007 -3.361 -3.125 1.00 0.00 C ATOM 146 CG ASP A 13 -9.278 -2.572 -2.802 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.261 -2.747 -3.554 1.00 0.00 O ATOM 148 OD2 ASP A 13 -9.237 -1.811 -1.811 1.00 0.00 O ATOM 0 H ASP A 13 -7.727 -5.209 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.150 -2.532 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.212 -4.423 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.236 -3.091 -2.403 1.00 0.00 H new ATOM 153 N PHE A 14 -5.144 -3.194 -3.847 1.00 0.00 N ATOM 154 CA PHE A 14 -3.802 -2.669 -3.662 1.00 0.00 C ATOM 155 C PHE A 14 -3.247 -2.108 -4.973 1.00 0.00 C ATOM 156 O PHE A 14 -2.998 -0.909 -5.082 1.00 0.00 O ATOM 157 CB PHE A 14 -2.924 -3.838 -3.209 1.00 0.00 C ATOM 158 CG PHE A 14 -1.481 -3.443 -2.885 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.163 -2.993 -1.642 1.00 0.00 C ATOM 160 CD2 PHE A 14 -0.518 -3.543 -3.840 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.176 -2.627 -1.341 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.820 -3.176 -3.539 1.00 0.00 C ATOM 163 CZ PHE A 14 1.139 -2.726 -2.295 1.00 0.00 C ATOM 0 H PHE A 14 -5.278 -4.149 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.815 -1.862 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.372 -4.295 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.915 -4.597 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.928 -2.914 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.771 -3.901 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.429 -2.270 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.585 -3.254 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.157 -2.448 -2.066 1.00 0.00 H new ATOM 173 N ALA A 15 -3.070 -3.002 -5.934 1.00 0.00 N ATOM 174 CA ALA A 15 -2.549 -2.611 -7.233 1.00 0.00 C ATOM 175 C ALA A 15 -3.239 -1.323 -7.687 1.00 0.00 C ATOM 176 O ALA A 15 -2.608 -0.456 -8.290 1.00 0.00 O ATOM 177 CB ALA A 15 -2.743 -3.758 -8.227 1.00 0.00 C ATOM 0 H ALA A 15 -3.278 -3.996 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.480 -2.409 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.352 -3.465 -9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.210 -4.640 -7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.805 -3.987 -8.316 1.00 0.00 H new ATOM 183 N VAL A 16 -4.525 -1.238 -7.381 1.00 0.00 N ATOM 184 CA VAL A 16 -5.307 -0.070 -7.750 1.00 0.00 C ATOM 185 C VAL A 16 -4.899 1.111 -6.867 1.00 0.00 C ATOM 186 O VAL A 16 -4.713 2.223 -7.360 1.00 0.00 O ATOM 187 CB VAL A 16 -6.800 -0.393 -7.665 1.00 0.00 C ATOM 188 CG1 VAL A 16 -7.640 0.886 -7.701 1.00 0.00 C ATOM 189 CG2 VAL A 16 -7.218 -1.355 -8.778 1.00 0.00 C ATOM 0 H VAL A 16 -5.045 -1.959 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.108 0.213 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.982 -0.887 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.697 0.629 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.371 1.522 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.450 1.420 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.284 -1.568 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.014 -0.900 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.654 -2.284 -8.687 1.00 0.00 H new ATOM 199 N LEU A 17 -4.772 0.830 -5.579 1.00 0.00 N ATOM 200 CA LEU A 17 -4.390 1.855 -4.623 1.00 0.00 C ATOM 201 C LEU A 17 -3.182 2.624 -5.163 1.00 0.00 C ATOM 202 O LEU A 17 -3.324 3.741 -5.658 1.00 0.00 O ATOM 203 CB LEU A 17 -4.160 1.241 -3.241 1.00 0.00 C ATOM 204 CG LEU A 17 -5.391 1.143 -2.338 1.00 0.00 C ATOM 205 CD1 LEU A 17 -5.133 0.199 -1.161 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.842 2.529 -1.873 1.00 0.00 C ATOM 0 H LEU A 17 -4.927 -0.094 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.197 2.576 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.751 0.240 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.401 1.830 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.209 0.717 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.023 0.147 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.896 -0.796 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.296 0.573 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.719 2.431 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.036 3.005 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.093 3.140 -2.740 1.00 0.00 H new ATOM 218 N THR A 18 -2.021 1.996 -5.049 1.00 0.00 N ATOM 219 CA THR A 18 -0.790 2.607 -5.519 1.00 0.00 C ATOM 220 C THR A 18 -1.051 3.429 -6.783 1.00 0.00 C ATOM 221 O THR A 18 -0.966 4.656 -6.758 1.00 0.00 O ATOM 222 CB THR A 18 0.243 1.496 -5.719 1.00 0.00 C ATOM 223 OG1 THR A 18 -0.430 0.539 -6.533 1.00 0.00 O ATOM 224 CG2 THR A 18 0.546 0.738 -4.425 1.00 0.00 C ATOM 0 H THR A 18 -1.907 1.070 -4.638 1.00 0.00 H new ATOM 0 HA THR A 18 -0.394 3.311 -4.787 1.00 0.00 H new ATOM 0 HB THR A 18 1.165 1.924 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.017 -0.330 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.285 -0.039 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.939 1.431 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.369 0.281 -4.048 1.00 0.00 H new ATOM 232 N ALA A 19 -1.363 2.719 -7.857 1.00 0.00 N ATOM 233 CA ALA A 19 -1.637 3.368 -9.128 1.00 0.00 C ATOM 234 C ALA A 19 -2.457 4.636 -8.883 1.00 0.00 C ATOM 235 O ALA A 19 -2.108 5.710 -9.370 1.00 0.00 O ATOM 236 CB ALA A 19 -2.349 2.385 -10.060 1.00 0.00 C ATOM 0 H ALA A 19 -1.432 1.701 -7.873 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.708 3.665 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.555 2.872 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.713 1.515 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.287 2.067 -9.605 1.00 0.00 H new ATOM 242 N GLU A 20 -3.533 4.470 -8.127 1.00 0.00 N ATOM 243 CA GLU A 20 -4.405 5.588 -7.810 1.00 0.00 C ATOM 244 C GLU A 20 -3.646 6.642 -7.002 1.00 0.00 C ATOM 245 O GLU A 20 -3.632 7.817 -7.365 1.00 0.00 O ATOM 246 CB GLU A 20 -5.652 5.115 -7.060 1.00 0.00 C ATOM 247 CG GLU A 20 -6.817 6.085 -7.267 1.00 0.00 C ATOM 248 CD GLU A 20 -7.637 6.238 -5.985 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.001 6.374 -4.917 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.881 6.217 -6.100 1.00 0.00 O ATOM 0 H GLU A 20 -3.820 3.578 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.734 6.043 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.935 4.122 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.430 5.029 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.434 7.058 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.457 5.724 -8.072 1.00 0.00 H new ATOM 257 N ILE A 21 -3.032 6.183 -5.921 1.00 0.00 N ATOM 258 CA ILE A 21 -2.273 7.072 -5.058 1.00 0.00 C ATOM 259 C ILE A 21 -1.188 7.770 -5.881 1.00 0.00 C ATOM 260 O ILE A 21 -1.222 8.988 -6.052 1.00 0.00 O ATOM 261 CB ILE A 21 -1.731 6.309 -3.847 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.864 5.630 -3.075 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.896 7.226 -2.951 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.334 4.466 -2.235 1.00 0.00 C ATOM 0 H ILE A 21 -3.045 5.207 -5.623 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.918 7.852 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.070 5.521 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.354 6.357 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.618 5.266 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.523 6.660 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.055 7.623 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.515 8.050 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.159 4.001 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.866 3.730 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.599 4.838 -1.521 1.00 0.00 H new ATOM 276 N THR A 22 -0.252 6.969 -6.367 1.00 0.00 N ATOM 277 CA THR A 22 0.841 7.495 -7.168 1.00 0.00 C ATOM 278 C THR A 22 0.352 8.649 -8.045 1.00 0.00 C ATOM 279 O THR A 22 1.033 9.665 -8.176 1.00 0.00 O ATOM 280 CB THR A 22 1.442 6.337 -7.967 1.00 0.00 C ATOM 281 OG1 THR A 22 2.838 6.622 -7.996 1.00 0.00 O ATOM 282 CG2 THR A 22 1.026 6.363 -9.439 1.00 0.00 C ATOM 0 H THR A 22 -0.227 5.960 -6.222 1.00 0.00 H new ATOM 0 HA THR A 22 1.625 7.916 -6.539 1.00 0.00 H new ATOM 0 HB THR A 22 1.136 5.391 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.305 5.919 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.480 5.520 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.059 6.293 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.361 7.295 -9.895 1.00 0.00 H new ATOM 290 N SER A 23 -0.824 8.454 -8.623 1.00 0.00 N ATOM 291 CA SER A 23 -1.412 9.466 -9.484 1.00 0.00 C ATOM 292 C SER A 23 -1.660 10.749 -8.689 1.00 0.00 C ATOM 293 O SER A 23 -1.081 11.792 -8.991 1.00 0.00 O ATOM 294 CB SER A 23 -2.717 8.967 -10.108 1.00 0.00 C ATOM 295 OG SER A 23 -2.537 7.745 -10.818 1.00 0.00 O ATOM 0 H SER A 23 -1.386 7.610 -8.512 1.00 0.00 H new ATOM 0 HA SER A 23 -0.712 9.677 -10.292 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.462 8.825 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.108 9.726 -10.786 1.00 0.00 H new ATOM 0 HG SER A 23 -2.756 6.991 -10.232 1.00 0.00 H new ATOM 301 N LYS A 24 -2.521 10.631 -7.690 1.00 0.00 N ATOM 302 CA LYS A 24 -2.853 11.769 -6.849 1.00 0.00 C ATOM 303 C LYS A 24 -1.563 12.411 -6.335 1.00 0.00 C ATOM 304 O LYS A 24 -1.529 13.609 -6.058 1.00 0.00 O ATOM 305 CB LYS A 24 -3.817 11.352 -5.737 1.00 0.00 C ATOM 306 CG LYS A 24 -5.132 10.829 -6.320 1.00 0.00 C ATOM 307 CD LYS A 24 -5.810 9.853 -5.356 1.00 0.00 C ATOM 308 CE LYS A 24 -7.323 9.823 -5.579 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.039 9.874 -4.285 1.00 0.00 N ATOM 0 H LYS A 24 -2.999 9.765 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.380 12.528 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.356 10.580 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.017 12.203 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.800 11.665 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.940 10.332 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.398 8.853 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.596 10.145 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.622 10.667 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.599 8.917 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.065 9.853 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.767 9.055 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.789 10.751 -3.784 1.00 0.00 H new ATOM 323 N ILE A 25 -0.533 11.586 -6.223 1.00 0.00 N ATOM 324 CA ILE A 25 0.756 12.058 -5.747 1.00 0.00 C ATOM 325 C ILE A 25 1.390 12.957 -6.811 1.00 0.00 C ATOM 326 O ILE A 25 2.124 13.888 -6.484 1.00 0.00 O ATOM 327 CB ILE A 25 1.639 10.879 -5.333 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.148 10.259 -4.024 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.109 11.296 -5.254 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.004 9.052 -3.633 1.00 0.00 C ATOM 0 H ILE A 25 -0.565 10.593 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 25 0.632 12.664 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 25 1.563 10.110 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.180 11.005 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.108 9.952 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.715 10.440 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.439 11.654 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.222 12.092 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.633 8.630 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.950 8.298 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.039 9.367 -3.503 1.00 0.00 H new ATOM 342 N ALA A 26 1.083 12.646 -8.062 1.00 0.00 N ATOM 343 CA ALA A 26 1.613 13.415 -9.175 1.00 0.00 C ATOM 344 C ALA A 26 0.834 14.726 -9.301 1.00 0.00 C ATOM 345 O ALA A 26 1.323 15.688 -9.891 1.00 0.00 O ATOM 346 CB ALA A 26 1.549 12.574 -10.452 1.00 0.00 C ATOM 0 H ALA A 26 0.474 11.872 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 26 2.659 13.669 -9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.946 13.150 -11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.141 11.668 -10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.513 12.303 -10.658 1.00 0.00 H new ATOM 352 N ARG A 27 -0.365 14.721 -8.737 1.00 0.00 N ATOM 353 CA ARG A 27 -1.216 15.899 -8.779 1.00 0.00 C ATOM 354 C ARG A 27 -0.967 16.777 -7.552 1.00 0.00 C ATOM 355 O ARG A 27 -1.336 17.951 -7.539 1.00 0.00 O ATOM 356 CB ARG A 27 -2.694 15.508 -8.827 1.00 0.00 C ATOM 357 CG ARG A 27 -3.277 15.735 -10.223 1.00 0.00 C ATOM 358 CD ARG A 27 -4.741 16.172 -10.142 1.00 0.00 C ATOM 359 NE ARG A 27 -5.501 15.608 -11.280 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.802 14.308 -11.411 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.408 13.432 -10.477 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.496 13.886 -12.477 1.00 0.00 N ATOM 0 H ARG A 27 -0.767 13.921 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.969 16.455 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.806 14.460 -8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.252 16.093 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.695 16.495 -10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.199 14.818 -10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.177 15.837 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.806 17.260 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.815 16.248 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.879 13.754 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.637 12.443 -10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.795 14.554 -13.188 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.725 12.897 -12.577 1.00 0.00 H new ATOM 376 N VAL A 28 -0.342 16.176 -6.550 1.00 0.00 N ATOM 377 CA VAL A 28 -0.040 16.889 -5.321 1.00 0.00 C ATOM 378 C VAL A 28 0.668 18.203 -5.659 1.00 0.00 C ATOM 379 O VAL A 28 0.262 19.268 -5.197 1.00 0.00 O ATOM 380 CB VAL A 28 0.776 15.995 -4.384 1.00 0.00 C ATOM 381 CG1 VAL A 28 1.933 16.773 -3.754 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.115 15.370 -3.309 1.00 0.00 C ATOM 0 H VAL A 28 -0.037 15.203 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.958 17.141 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 28 1.201 15.186 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.497 16.115 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.590 17.148 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.538 17.612 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.489 14.740 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.582 16.159 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.888 14.765 -3.783 1.00 0.00 H new ATOM 392 N PRO A 29 1.741 18.082 -6.485 1.00 0.00 N ATOM 393 CA PRO A 29 2.509 19.247 -6.891 1.00 0.00 C ATOM 394 C PRO A 29 1.751 20.064 -7.940 1.00 0.00 C ATOM 395 O PRO A 29 2.102 21.212 -8.209 1.00 0.00 O ATOM 396 CB PRO A 29 3.824 18.690 -7.410 1.00 0.00 C ATOM 397 CG PRO A 29 3.567 17.222 -7.708 1.00 0.00 C ATOM 398 CD PRO A 29 2.251 16.837 -7.053 1.00 0.00 C ATOM 0 HA PRO A 29 2.683 19.943 -6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.146 19.220 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.616 18.805 -6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.522 17.053 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.380 16.606 -7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.554 16.419 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.399 16.081 -6.282 1.00 0.00 H new ATOM 406 N ARG A 30 0.726 19.441 -8.502 1.00 0.00 N ATOM 407 CA ARG A 30 -0.084 20.097 -9.514 1.00 0.00 C ATOM 408 C ARG A 30 -1.409 20.568 -8.911 1.00 0.00 C ATOM 409 O ARG A 30 -2.292 21.034 -9.630 1.00 0.00 O ATOM 410 CB ARG A 30 -0.372 19.154 -10.685 1.00 0.00 C ATOM 411 CG ARG A 30 0.928 18.656 -11.319 1.00 0.00 C ATOM 412 CD ARG A 30 0.642 17.669 -12.453 1.00 0.00 C ATOM 413 NE ARG A 30 1.258 18.149 -13.710 1.00 0.00 N ATOM 414 CZ ARG A 30 2.574 18.125 -13.959 1.00 0.00 C ATOM 415 NH1 ARG A 30 3.421 17.644 -13.038 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.044 18.583 -15.128 1.00 0.00 N ATOM 0 H ARG A 30 0.438 18.489 -8.276 1.00 0.00 H new ATOM 0 HA ARG A 30 0.477 20.956 -9.882 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.960 18.305 -10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.972 19.671 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.497 19.503 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.546 18.175 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.036 16.685 -12.198 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.434 17.557 -12.586 1.00 0.00 H new ATOM 0 HE ARG A 30 0.642 18.522 -14.432 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.063 17.297 -12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.423 17.625 -13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.399 18.950 -15.828 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.046 18.565 -15.317 1.00 0.00 H new ATOM 430 N LEU A 31 -1.506 20.430 -7.597 1.00 0.00 N ATOM 431 CA LEU A 31 -2.708 20.836 -6.889 1.00 0.00 C ATOM 432 C LEU A 31 -2.424 22.117 -6.102 1.00 0.00 C ATOM 433 O LEU A 31 -1.268 22.438 -5.829 1.00 0.00 O ATOM 434 CB LEU A 31 -3.235 19.688 -6.025 1.00 0.00 C ATOM 435 CG LEU A 31 -4.041 18.613 -6.757 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.180 17.353 -5.900 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.401 19.156 -7.202 1.00 0.00 C ATOM 0 H LEU A 31 -0.772 20.043 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.506 21.066 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.387 19.208 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.860 20.109 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.496 18.331 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.757 16.605 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.191 16.955 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.692 17.600 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.954 18.372 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.966 19.482 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.253 20.001 -7.875 1.00 0.00 H new ATOM 449 N PRO A 32 -3.525 22.832 -5.750 1.00 0.00 N ATOM 450 CA PRO A 32 -3.405 24.071 -5.000 1.00 0.00 C ATOM 451 C PRO A 32 -3.075 23.793 -3.532 1.00 0.00 C ATOM 452 O PRO A 32 -3.112 22.646 -3.090 1.00 0.00 O ATOM 453 CB PRO A 32 -4.740 24.774 -5.186 1.00 0.00 C ATOM 454 CG PRO A 32 -5.717 23.701 -5.641 1.00 0.00 C ATOM 455 CD PRO A 32 -4.909 22.482 -6.056 1.00 0.00 C ATOM 0 HA PRO A 32 -2.587 24.699 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.072 25.235 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.662 25.570 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.407 23.446 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.319 24.062 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.223 21.594 -5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.037 22.264 -7.116 1.00 0.00 H new ATOM 463 N PRO A 33 -2.749 24.892 -2.799 1.00 0.00 N ATOM 464 CA PRO A 33 -2.412 24.778 -1.390 1.00 0.00 C ATOM 465 C PRO A 33 -3.665 24.541 -0.544 1.00 0.00 C ATOM 466 O PRO A 33 -3.582 24.442 0.679 1.00 0.00 O ATOM 467 CB PRO A 33 -1.702 26.078 -1.049 1.00 0.00 C ATOM 468 CG PRO A 33 -2.077 27.058 -2.149 1.00 0.00 C ATOM 469 CD PRO A 33 -2.694 26.266 -3.290 1.00 0.00 C ATOM 0 HA PRO A 33 -1.771 23.922 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.014 26.449 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.622 25.934 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.782 27.800 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.196 27.600 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.688 26.638 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.091 26.339 -4.195 1.00 0.00 H new ATOM 477 N ASP A 34 -4.796 24.456 -1.229 1.00 0.00 N ATOM 478 CA ASP A 34 -6.064 24.232 -0.556 1.00 0.00 C ATOM 479 C ASP A 34 -6.446 22.756 -0.676 1.00 0.00 C ATOM 480 O ASP A 34 -6.893 22.146 0.294 1.00 0.00 O ATOM 481 CB ASP A 34 -7.179 25.063 -1.193 1.00 0.00 C ATOM 482 CG ASP A 34 -7.412 26.432 -0.551 1.00 0.00 C ATOM 483 OD1 ASP A 34 -8.175 26.473 0.438 1.00 0.00 O ATOM 484 OD2 ASP A 34 -6.822 27.407 -1.065 1.00 0.00 O ATOM 0 H ASP A 34 -4.861 24.538 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.948 24.524 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.946 25.208 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.108 24.494 -1.147 1.00 0.00 H new ATOM 489 N GLU A 35 -6.257 22.224 -1.875 1.00 0.00 N ATOM 490 CA GLU A 35 -6.577 20.830 -2.134 1.00 0.00 C ATOM 491 C GLU A 35 -5.371 19.942 -1.823 1.00 0.00 C ATOM 492 O GLU A 35 -5.531 18.784 -1.440 1.00 0.00 O ATOM 493 CB GLU A 35 -7.044 20.635 -3.578 1.00 0.00 C ATOM 494 CG GLU A 35 -8.568 20.518 -3.651 1.00 0.00 C ATOM 495 CD GLU A 35 -9.030 19.112 -3.261 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.442 18.152 -3.804 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.960 19.030 -2.430 1.00 0.00 O ATOM 0 H GLU A 35 -5.886 22.733 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.397 20.537 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.711 21.474 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.587 19.737 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.025 21.252 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.906 20.748 -4.661 1.00 0.00 H new ATOM 504 N LYS A 36 -4.191 20.518 -1.998 1.00 0.00 N ATOM 505 CA LYS A 36 -2.959 19.793 -1.741 1.00 0.00 C ATOM 506 C LYS A 36 -2.931 19.345 -0.278 1.00 0.00 C ATOM 507 O LYS A 36 -2.789 18.158 0.009 1.00 0.00 O ATOM 508 CB LYS A 36 -1.747 20.634 -2.149 1.00 0.00 C ATOM 509 CG LYS A 36 -0.442 19.884 -1.875 1.00 0.00 C ATOM 510 CD LYS A 36 0.765 20.685 -2.367 1.00 0.00 C ATOM 511 CE LYS A 36 1.903 20.646 -1.345 1.00 0.00 C ATOM 512 NZ LYS A 36 1.962 21.915 -0.586 1.00 0.00 N ATOM 0 H LYS A 36 -4.062 21.479 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.914 18.892 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.812 20.882 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.752 21.576 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.345 19.694 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.465 18.913 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.111 20.280 -3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.470 21.718 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.755 19.812 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.851 20.476 -1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.740 21.872 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.125 22.705 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.063 22.062 -0.084 1.00 0.00 H new ATOM 526 N LYS A 37 -3.070 20.320 0.609 1.00 0.00 N ATOM 527 CA LYS A 37 -3.064 20.041 2.035 1.00 0.00 C ATOM 528 C LYS A 37 -3.900 18.790 2.309 1.00 0.00 C ATOM 529 O LYS A 37 -3.446 17.873 2.991 1.00 0.00 O ATOM 530 CB LYS A 37 -3.519 21.271 2.823 1.00 0.00 C ATOM 531 CG LYS A 37 -2.470 21.675 3.862 1.00 0.00 C ATOM 532 CD LYS A 37 -1.788 22.988 3.470 1.00 0.00 C ATOM 533 CE LYS A 37 -0.265 22.853 3.529 1.00 0.00 C ATOM 534 NZ LYS A 37 0.322 23.954 4.324 1.00 0.00 N ATOM 0 H LYS A 37 -3.187 21.304 0.367 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.051 19.829 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.697 22.101 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.466 21.059 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.943 21.784 4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.723 20.887 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.093 23.274 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.112 23.785 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.004 21.894 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.147 22.866 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.356 23.847 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.080 24.866 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.057 23.924 5.292 1.00 0.00 H new ATOM 548 N GLN A 38 -5.108 18.794 1.764 1.00 0.00 N ATOM 549 CA GLN A 38 -6.013 17.671 1.942 1.00 0.00 C ATOM 550 C GLN A 38 -5.514 16.458 1.153 1.00 0.00 C ATOM 551 O GLN A 38 -5.524 15.337 1.660 1.00 0.00 O ATOM 552 CB GLN A 38 -7.438 18.044 1.531 1.00 0.00 C ATOM 553 CG GLN A 38 -7.915 19.291 2.278 1.00 0.00 C ATOM 554 CD GLN A 38 -8.375 18.939 3.694 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.371 18.267 3.902 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.596 19.431 4.654 1.00 0.00 N ATOM 0 H GLN A 38 -5.481 19.557 1.199 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.033 17.409 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.475 18.223 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.110 17.212 1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.108 20.022 2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.735 19.756 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.776 19.986 4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.819 19.253 5.633 1.00 0.00 H new ATOM 565 N MET A 39 -5.091 16.723 -0.074 1.00 0.00 N ATOM 566 CA MET A 39 -4.590 15.668 -0.937 1.00 0.00 C ATOM 567 C MET A 39 -3.430 14.922 -0.275 1.00 0.00 C ATOM 568 O MET A 39 -3.463 13.698 -0.154 1.00 0.00 O ATOM 569 CB MET A 39 -4.119 16.272 -2.262 1.00 0.00 C ATOM 570 CG MET A 39 -3.632 15.182 -3.219 1.00 0.00 C ATOM 571 SD MET A 39 -4.864 13.898 -3.360 1.00 0.00 S ATOM 572 CE MET A 39 -5.776 14.497 -4.773 1.00 0.00 C ATOM 0 H MET A 39 -5.085 17.654 -0.491 1.00 0.00 H new ATOM 0 HA MET A 39 -5.398 14.958 -1.118 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.936 16.828 -2.723 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.315 16.984 -2.076 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.429 15.612 -4.200 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.695 14.760 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.670 13.889 -4.913 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.065 15.535 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.150 14.433 -5.663 1.00 0.00 H new ATOM 582 N VAL A 40 -2.432 15.690 0.136 1.00 0.00 N ATOM 583 CA VAL A 40 -1.264 15.117 0.783 1.00 0.00 C ATOM 584 C VAL A 40 -1.713 14.250 1.961 1.00 0.00 C ATOM 585 O VAL A 40 -0.973 13.375 2.410 1.00 0.00 O ATOM 586 CB VAL A 40 -0.296 16.229 1.194 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.756 15.705 2.174 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.365 16.861 -0.033 1.00 0.00 C ATOM 0 H VAL A 40 -2.408 16.705 0.034 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.722 14.471 0.092 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.871 17.004 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.431 16.515 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.263 15.323 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.325 14.903 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.048 17.648 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.920 16.099 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.402 17.287 -0.681 1.00 0.00 H new ATOM 598 N ALA A 41 -2.922 14.523 2.429 1.00 0.00 N ATOM 599 CA ALA A 41 -3.478 13.779 3.546 1.00 0.00 C ATOM 600 C ALA A 41 -4.283 12.592 3.013 1.00 0.00 C ATOM 601 O ALA A 41 -4.290 11.521 3.616 1.00 0.00 O ATOM 602 CB ALA A 41 -4.323 14.714 4.413 1.00 0.00 C ATOM 0 H ALA A 41 -3.532 15.250 2.055 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.682 13.381 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.740 14.155 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.698 15.523 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.134 15.131 3.815 1.00 0.00 H new ATOM 608 N ASN A 42 -4.941 12.823 1.886 1.00 0.00 N ATOM 609 CA ASN A 42 -5.748 11.787 1.265 1.00 0.00 C ATOM 610 C ASN A 42 -4.866 10.573 0.962 1.00 0.00 C ATOM 611 O ASN A 42 -5.272 9.435 1.189 1.00 0.00 O ATOM 612 CB ASN A 42 -6.350 12.274 -0.055 1.00 0.00 C ATOM 613 CG ASN A 42 -7.835 11.918 -0.144 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.698 12.609 0.371 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.083 10.803 -0.826 1.00 0.00 N ATOM 0 H ASN A 42 -4.931 13.713 1.387 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.552 11.527 1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.225 13.354 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.814 11.825 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.043 10.480 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.313 10.271 -1.232 1.00 0.00 H new ATOM 622 N VAL A 43 -3.676 10.859 0.455 1.00 0.00 N ATOM 623 CA VAL A 43 -2.734 9.805 0.119 1.00 0.00 C ATOM 624 C VAL A 43 -2.288 9.097 1.400 1.00 0.00 C ATOM 625 O VAL A 43 -2.081 7.885 1.404 1.00 0.00 O ATOM 626 CB VAL A 43 -1.565 10.384 -0.681 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.381 9.415 -0.701 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.000 10.747 -2.103 1.00 0.00 C ATOM 0 H VAL A 43 -3.343 11.805 0.269 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.209 9.058 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.241 11.299 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.436 9.851 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.047 9.228 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.687 8.475 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.151 11.156 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.363 9.854 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.797 11.490 -2.061 1.00 0.00 H new ATOM 638 N GLU A 44 -2.155 9.885 2.457 1.00 0.00 N ATOM 639 CA GLU A 44 -1.738 9.349 3.742 1.00 0.00 C ATOM 640 C GLU A 44 -2.728 8.283 4.219 1.00 0.00 C ATOM 641 O GLU A 44 -2.356 7.371 4.955 1.00 0.00 O ATOM 642 CB GLU A 44 -1.591 10.463 4.779 1.00 0.00 C ATOM 643 CG GLU A 44 -0.349 11.312 4.500 1.00 0.00 C ATOM 644 CD GLU A 44 0.607 11.294 5.695 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.901 10.176 6.169 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.022 12.399 6.106 1.00 0.00 O ATOM 0 H GLU A 44 -2.329 10.890 2.450 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.761 8.881 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.479 11.096 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.523 10.029 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.163 10.935 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.647 12.338 4.283 1.00 0.00 H new ATOM 653 N LYS A 45 -3.968 8.434 3.778 1.00 0.00 N ATOM 654 CA LYS A 45 -5.013 7.496 4.151 1.00 0.00 C ATOM 655 C LYS A 45 -4.920 6.255 3.260 1.00 0.00 C ATOM 656 O LYS A 45 -4.754 5.142 3.756 1.00 0.00 O ATOM 657 CB LYS A 45 -6.383 8.177 4.114 1.00 0.00 C ATOM 658 CG LYS A 45 -7.002 8.238 5.512 1.00 0.00 C ATOM 659 CD LYS A 45 -6.408 9.390 6.325 1.00 0.00 C ATOM 660 CE LYS A 45 -6.735 9.238 7.812 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.504 10.513 8.527 1.00 0.00 N ATOM 0 H LYS A 45 -4.272 9.191 3.166 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.876 7.163 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.281 9.185 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.046 7.632 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.082 8.365 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.830 7.295 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.327 9.417 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.800 10.339 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.774 8.930 7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.117 8.453 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.731 10.392 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.507 10.791 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.112 11.253 8.122 1.00 0.00 H new ATOM 675 N GLN A 46 -5.031 6.489 1.961 1.00 0.00 N ATOM 676 CA GLN A 46 -4.961 5.404 0.997 1.00 0.00 C ATOM 677 C GLN A 46 -3.685 4.587 1.208 1.00 0.00 C ATOM 678 O GLN A 46 -3.658 3.388 0.935 1.00 0.00 O ATOM 679 CB GLN A 46 -5.040 5.937 -0.435 1.00 0.00 C ATOM 680 CG GLN A 46 -6.488 5.973 -0.927 1.00 0.00 C ATOM 681 CD GLN A 46 -7.437 6.414 0.190 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.530 7.580 0.535 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.132 5.419 0.733 1.00 0.00 N ATOM 0 H GLN A 46 -5.169 7.414 1.553 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.818 4.749 1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.612 6.939 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.443 5.307 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.572 6.657 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.778 4.986 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.005 4.465 0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.792 5.610 1.487 1.00 0.00 H new ATOM 692 N LEU A 47 -2.657 5.270 1.692 1.00 0.00 N ATOM 693 CA LEU A 47 -1.381 4.622 1.943 1.00 0.00 C ATOM 694 C LEU A 47 -1.533 3.637 3.103 1.00 0.00 C ATOM 695 O LEU A 47 -1.350 2.433 2.928 1.00 0.00 O ATOM 696 CB LEU A 47 -0.285 5.667 2.164 1.00 0.00 C ATOM 697 CG LEU A 47 0.415 6.182 0.904 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.349 7.348 1.233 1.00 0.00 C ATOM 699 CD2 LEU A 47 1.145 5.049 0.181 1.00 0.00 C ATOM 0 H LEU A 47 -2.682 6.265 1.917 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.069 4.044 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.722 6.518 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.469 5.240 2.825 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.346 6.562 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.834 7.695 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.773 8.163 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.107 7.018 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.634 5.442 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.894 4.617 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.428 4.280 -0.107 1.00 0.00 H new ATOM 711 N GLU A 48 -1.867 4.184 4.263 1.00 0.00 N ATOM 712 CA GLU A 48 -2.046 3.367 5.452 1.00 0.00 C ATOM 713 C GLU A 48 -3.064 2.257 5.184 1.00 0.00 C ATOM 714 O GLU A 48 -2.961 1.167 5.746 1.00 0.00 O ATOM 715 CB GLU A 48 -2.470 4.224 6.646 1.00 0.00 C ATOM 716 CG GLU A 48 -3.909 4.717 6.484 1.00 0.00 C ATOM 717 CD GLU A 48 -4.473 5.211 7.818 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.567 4.372 8.740 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.797 6.416 7.885 1.00 0.00 O ATOM 0 H GLU A 48 -2.018 5.183 4.405 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.091 2.905 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.382 3.643 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.798 5.077 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.941 5.523 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.532 3.910 6.098 1.00 0.00 H new ATOM 726 N GLU A 49 -4.023 2.571 4.327 1.00 0.00 N ATOM 727 CA GLU A 49 -5.059 1.613 3.978 1.00 0.00 C ATOM 728 C GLU A 49 -4.455 0.432 3.215 1.00 0.00 C ATOM 729 O GLU A 49 -4.975 -0.681 3.275 1.00 0.00 O ATOM 730 CB GLU A 49 -6.171 2.280 3.166 1.00 0.00 C ATOM 731 CG GLU A 49 -6.879 3.359 3.987 1.00 0.00 C ATOM 732 CD GLU A 49 -8.362 3.029 4.165 1.00 0.00 C ATOM 733 OE1 GLU A 49 -9.019 2.791 3.128 1.00 0.00 O ATOM 734 OE2 GLU A 49 -8.806 3.022 5.333 1.00 0.00 O ATOM 0 H GLU A 49 -4.105 3.476 3.863 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.503 1.236 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.751 2.723 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.893 1.529 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.403 3.448 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.775 4.324 3.492 1.00 0.00 H new ATOM 741 N ALA A 50 -3.366 0.716 2.516 1.00 0.00 N ATOM 742 CA ALA A 50 -2.686 -0.309 1.742 1.00 0.00 C ATOM 743 C ALA A 50 -1.703 -1.055 2.646 1.00 0.00 C ATOM 744 O ALA A 50 -1.432 -2.236 2.433 1.00 0.00 O ATOM 745 CB ALA A 50 -1.997 0.334 0.537 1.00 0.00 C ATOM 0 H ALA A 50 -2.938 1.641 2.469 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.400 -1.038 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.487 -0.435 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.742 0.826 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.270 1.069 0.883 1.00 0.00 H new ATOM 751 N ARG A 51 -1.194 -0.336 3.636 1.00 0.00 N ATOM 752 CA ARG A 51 -0.247 -0.915 4.572 1.00 0.00 C ATOM 753 C ARG A 51 -0.819 -2.196 5.182 1.00 0.00 C ATOM 754 O ARG A 51 -0.096 -3.171 5.380 1.00 0.00 O ATOM 755 CB ARG A 51 0.091 0.069 5.694 1.00 0.00 C ATOM 756 CG ARG A 51 1.159 1.068 5.244 1.00 0.00 C ATOM 757 CD ARG A 51 2.277 1.180 6.283 1.00 0.00 C ATOM 758 NE ARG A 51 3.379 0.252 5.942 1.00 0.00 N ATOM 759 CZ ARG A 51 4.338 0.523 5.046 1.00 0.00 C ATOM 760 NH1 ARG A 51 4.336 1.694 4.395 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.299 -0.379 4.800 1.00 0.00 N ATOM 0 H ARG A 51 -1.420 0.643 3.810 1.00 0.00 H new ATOM 0 HA ARG A 51 0.664 -1.146 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.809 0.605 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.445 -0.478 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.577 0.753 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.704 2.046 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.650 2.203 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.888 0.947 7.274 1.00 0.00 H new ATOM 0 HE ARG A 51 3.410 -0.649 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.604 2.380 4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.066 1.900 3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.300 -1.271 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.029 -0.173 4.118 1.00 0.00 H new ATOM 775 N GLU A 52 -2.113 -2.153 5.464 1.00 0.00 N ATOM 776 CA GLU A 52 -2.791 -3.298 6.047 1.00 0.00 C ATOM 777 C GLU A 52 -2.857 -4.447 5.039 1.00 0.00 C ATOM 778 O GLU A 52 -2.728 -5.612 5.411 1.00 0.00 O ATOM 779 CB GLU A 52 -4.190 -2.917 6.535 1.00 0.00 C ATOM 780 CG GLU A 52 -5.189 -2.896 5.376 1.00 0.00 C ATOM 781 CD GLU A 52 -6.414 -2.048 5.723 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.216 -0.838 5.968 1.00 0.00 O ATOM 783 OE2 GLU A 52 -7.521 -2.628 5.735 1.00 0.00 O ATOM 0 H GLU A 52 -2.710 -1.343 5.299 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.218 -3.632 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.521 -3.628 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.159 -1.937 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.707 -2.497 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.501 -3.914 5.142 1.00 0.00 H new ATOM 790 N LEU A 53 -3.056 -4.078 3.782 1.00 0.00 N ATOM 791 CA LEU A 53 -3.140 -5.063 2.717 1.00 0.00 C ATOM 792 C LEU A 53 -1.922 -5.986 2.785 1.00 0.00 C ATOM 793 O LEU A 53 -2.057 -7.178 3.058 1.00 0.00 O ATOM 794 CB LEU A 53 -3.314 -4.374 1.362 1.00 0.00 C ATOM 795 CG LEU A 53 -4.702 -4.484 0.727 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.041 -3.224 -0.072 1.00 0.00 C ATOM 797 CD2 LEU A 53 -4.817 -5.750 -0.123 1.00 0.00 C ATOM 0 H LEU A 53 -3.162 -3.110 3.477 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.023 -5.689 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.073 -3.318 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.585 -4.792 0.668 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.438 -4.565 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.032 -3.328 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.028 -2.359 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.305 -3.086 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.813 -5.804 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.071 -5.724 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.649 -6.626 0.504 1.00 0.00 H new ATOM 809 N LEU A 54 -0.761 -5.400 2.533 1.00 0.00 N ATOM 810 CA LEU A 54 0.480 -6.156 2.562 1.00 0.00 C ATOM 811 C LEU A 54 0.473 -7.093 3.771 1.00 0.00 C ATOM 812 O LEU A 54 0.986 -8.209 3.699 1.00 0.00 O ATOM 813 CB LEU A 54 1.683 -5.211 2.523 1.00 0.00 C ATOM 814 CG LEU A 54 1.871 -4.417 1.229 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.356 -4.208 0.924 1.00 0.00 C ATOM 816 CD2 LEU A 54 1.135 -5.083 0.065 1.00 0.00 C ATOM 0 H LEU A 54 -0.653 -4.411 2.308 1.00 0.00 H new ATOM 0 HA LEU A 54 0.566 -6.782 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.592 -4.505 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.585 -5.796 2.701 1.00 0.00 H new ATOM 0 HG LEU A 54 1.429 -3.430 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.461 -3.641 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.822 -3.658 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.845 -5.176 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.285 -4.498 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.525 -6.090 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.070 -5.136 0.291 1.00 0.00 H new ATOM 828 N GLU A 55 -0.113 -6.605 4.855 1.00 0.00 N ATOM 829 CA GLU A 55 -0.194 -7.386 6.078 1.00 0.00 C ATOM 830 C GLU A 55 -1.031 -8.646 5.849 1.00 0.00 C ATOM 831 O GLU A 55 -0.498 -9.754 5.829 1.00 0.00 O ATOM 832 CB GLU A 55 -0.763 -6.549 7.225 1.00 0.00 C ATOM 833 CG GLU A 55 0.200 -6.521 8.414 1.00 0.00 C ATOM 834 CD GLU A 55 -0.514 -6.918 9.708 1.00 0.00 C ATOM 835 OE1 GLU A 55 -1.714 -6.586 9.818 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.156 -7.543 10.557 1.00 0.00 O ATOM 0 H GLU A 55 -0.536 -5.679 4.912 1.00 0.00 H new ATOM 0 HA GLU A 55 0.814 -7.691 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.950 -5.532 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.722 -6.960 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.031 -7.202 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.624 -5.522 8.520 1.00 0.00 H new ATOM 843 N GLN A 56 -2.328 -8.433 5.683 1.00 0.00 N ATOM 844 CA GLN A 56 -3.245 -9.538 5.457 1.00 0.00 C ATOM 845 C GLN A 56 -2.708 -10.455 4.356 1.00 0.00 C ATOM 846 O GLN A 56 -2.770 -11.678 4.477 1.00 0.00 O ATOM 847 CB GLN A 56 -4.645 -9.027 5.111 1.00 0.00 C ATOM 848 CG GLN A 56 -5.363 -8.509 6.359 1.00 0.00 C ATOM 849 CD GLN A 56 -6.619 -9.333 6.650 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.736 -8.928 6.374 1.00 0.00 O ATOM 851 NE2 GLN A 56 -6.375 -10.508 7.223 1.00 0.00 N ATOM 0 H GLN A 56 -2.766 -7.512 5.700 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.323 -10.115 6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.573 -8.230 4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.228 -9.830 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.689 -8.552 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.634 -7.463 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.415 -10.786 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.148 -11.131 7.458 1.00 0.00 H new ATOM 860 N MET A 57 -2.194 -9.830 3.307 1.00 0.00 N ATOM 861 CA MET A 57 -1.648 -10.575 2.186 1.00 0.00 C ATOM 862 C MET A 57 -0.524 -11.508 2.643 1.00 0.00 C ATOM 863 O MET A 57 -0.503 -12.683 2.281 1.00 0.00 O ATOM 864 CB MET A 57 -1.107 -9.599 1.139 1.00 0.00 C ATOM 865 CG MET A 57 -2.248 -8.855 0.442 1.00 0.00 C ATOM 866 SD MET A 57 -1.791 -8.473 -1.240 1.00 0.00 S ATOM 867 CE MET A 57 -1.198 -6.802 -1.029 1.00 0.00 C ATOM 0 H MET A 57 -2.144 -8.816 3.210 1.00 0.00 H new ATOM 0 HA MET A 57 -2.445 -11.181 1.754 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.438 -8.882 1.616 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.518 -10.142 0.400 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.151 -9.466 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.478 -7.937 0.982 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.878 -6.109 -1.526 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.150 -6.564 0.034 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.204 -6.711 -1.466 1.00 0.00 H new ATOM 877 N ASP A 58 0.382 -10.949 3.431 1.00 0.00 N ATOM 878 CA ASP A 58 1.506 -11.716 3.941 1.00 0.00 C ATOM 879 C ASP A 58 1.007 -12.701 4.999 1.00 0.00 C ATOM 880 O ASP A 58 1.355 -13.881 4.967 1.00 0.00 O ATOM 881 CB ASP A 58 2.543 -10.803 4.597 1.00 0.00 C ATOM 882 CG ASP A 58 3.952 -11.391 4.696 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.341 -12.097 3.741 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.608 -11.121 5.725 1.00 0.00 O ATOM 0 H ASP A 58 0.361 -9.974 3.729 1.00 0.00 H new ATOM 0 HA ASP A 58 1.965 -12.240 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.593 -9.871 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.200 -10.550 5.600 1.00 0.00 H new ATOM 889 N LEU A 59 0.199 -12.182 5.912 1.00 0.00 N ATOM 890 CA LEU A 59 -0.352 -13.001 6.978 1.00 0.00 C ATOM 891 C LEU A 59 -1.220 -14.105 6.370 1.00 0.00 C ATOM 892 O LEU A 59 -1.576 -15.065 7.051 1.00 0.00 O ATOM 893 CB LEU A 59 -1.089 -12.130 7.997 1.00 0.00 C ATOM 894 CG LEU A 59 -0.226 -11.507 9.095 1.00 0.00 C ATOM 895 CD1 LEU A 59 0.777 -10.513 8.507 1.00 0.00 C ATOM 896 CD2 LEU A 59 -1.095 -10.869 10.180 1.00 0.00 C ATOM 0 H LEU A 59 -0.087 -11.203 5.935 1.00 0.00 H new ATOM 0 HA LEU A 59 0.447 -13.492 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.595 -11.327 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.863 -12.735 8.470 1.00 0.00 H new ATOM 0 HG LEU A 59 0.349 -12.302 9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.378 -10.085 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.429 -11.028 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.240 -9.717 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.456 -10.433 10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.714 -10.089 9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.734 -11.630 10.628 1.00 0.00 H new ATOM 908 N GLU A 60 -1.535 -13.931 5.095 1.00 0.00 N ATOM 909 CA GLU A 60 -2.354 -14.901 4.388 1.00 0.00 C ATOM 910 C GLU A 60 -1.470 -15.858 3.586 1.00 0.00 C ATOM 911 O GLU A 60 -1.590 -17.076 3.716 1.00 0.00 O ATOM 912 CB GLU A 60 -3.370 -14.203 3.481 1.00 0.00 C ATOM 913 CG GLU A 60 -4.509 -13.594 4.301 1.00 0.00 C ATOM 914 CD GLU A 60 -5.730 -14.517 4.313 1.00 0.00 C ATOM 915 OE1 GLU A 60 -6.567 -14.362 3.398 1.00 0.00 O ATOM 916 OE2 GLU A 60 -5.798 -15.355 5.237 1.00 0.00 O ATOM 0 H GLU A 60 -1.238 -13.133 4.533 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.911 -15.482 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.873 -13.422 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.775 -14.918 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.172 -13.417 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.785 -12.625 3.884 1.00 0.00 H new ATOM 923 N VAL A 61 -0.603 -15.272 2.774 1.00 0.00 N ATOM 924 CA VAL A 61 0.301 -16.058 1.951 1.00 0.00 C ATOM 925 C VAL A 61 0.904 -17.183 2.794 1.00 0.00 C ATOM 926 O VAL A 61 1.255 -18.238 2.268 1.00 0.00 O ATOM 927 CB VAL A 61 1.359 -15.150 1.321 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.745 -15.795 1.387 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.988 -14.793 -0.120 1.00 0.00 C ATOM 0 H VAL A 61 -0.507 -14.262 2.668 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.240 -16.524 1.127 1.00 0.00 H new ATOM 0 HB VAL A 61 1.392 -14.225 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.478 -15.129 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.014 -15.974 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.732 -16.742 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.757 -14.147 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.912 -15.705 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.030 -14.273 -0.131 1.00 0.00 H new ATOM 939 N ARG A 62 1.005 -16.920 4.089 1.00 0.00 N ATOM 940 CA ARG A 62 1.559 -17.897 5.010 1.00 0.00 C ATOM 941 C ARG A 62 0.818 -19.229 4.880 1.00 0.00 C ATOM 942 O ARG A 62 1.416 -20.294 5.032 1.00 0.00 O ATOM 943 CB ARG A 62 1.464 -17.407 6.456 1.00 0.00 C ATOM 944 CG ARG A 62 2.758 -16.716 6.888 1.00 0.00 C ATOM 945 CD ARG A 62 2.867 -16.658 8.413 1.00 0.00 C ATOM 946 NE ARG A 62 4.215 -17.093 8.841 1.00 0.00 N ATOM 947 CZ ARG A 62 5.330 -16.372 8.662 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.264 -15.176 8.061 1.00 0.00 N ATOM 949 NH2 ARG A 62 6.510 -16.846 9.083 1.00 0.00 N ATOM 0 H ARG A 62 0.712 -16.044 4.522 1.00 0.00 H new ATOM 0 HA ARG A 62 2.609 -18.035 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.628 -16.715 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.260 -18.250 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.614 -17.252 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.789 -15.706 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.676 -15.643 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.109 -17.298 8.865 1.00 0.00 H new ATOM 0 HE ARG A 62 4.301 -17.999 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.365 -14.815 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.112 -14.626 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.560 -17.756 9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.358 -16.297 8.946 1.00 0.00 H new ATOM 963 N GLU A 63 -0.473 -19.127 4.601 1.00 0.00 N ATOM 964 CA GLU A 63 -1.302 -20.311 4.449 1.00 0.00 C ATOM 965 C GLU A 63 -1.114 -20.915 3.055 1.00 0.00 C ATOM 966 O GLU A 63 -1.385 -22.096 2.845 1.00 0.00 O ATOM 967 CB GLU A 63 -2.773 -19.987 4.712 1.00 0.00 C ATOM 968 CG GLU A 63 -3.442 -19.415 3.460 1.00 0.00 C ATOM 969 CD GLU A 63 -4.334 -20.460 2.789 1.00 0.00 C ATOM 970 OE1 GLU A 63 -3.809 -21.561 2.512 1.00 0.00 O ATOM 971 OE2 GLU A 63 -5.521 -20.136 2.567 1.00 0.00 O ATOM 0 H GLU A 63 -0.966 -18.243 4.476 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.989 -21.048 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.297 -20.889 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.850 -19.270 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.037 -18.542 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.680 -19.078 2.758 1.00 0.00 H new ATOM 978 N ILE A 64 -0.651 -20.077 2.139 1.00 0.00 N ATOM 979 CA ILE A 64 -0.424 -20.513 0.772 1.00 0.00 C ATOM 980 C ILE A 64 0.769 -21.470 0.738 1.00 0.00 C ATOM 981 O ILE A 64 1.744 -21.278 1.464 1.00 0.00 O ATOM 982 CB ILE A 64 -0.272 -19.307 -0.157 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.565 -18.491 -0.213 1.00 0.00 C ATOM 984 CG2 ILE A 64 0.192 -19.742 -1.548 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.612 -17.624 -1.472 1.00 0.00 C ATOM 0 H ILE A 64 -0.427 -19.098 2.317 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.287 -21.065 0.400 1.00 0.00 H new ATOM 0 HB ILE A 64 0.501 -18.656 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.424 -19.162 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.639 -17.858 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.292 -18.866 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.155 -20.246 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.540 -20.425 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.541 -17.054 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.765 -16.937 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.563 -18.261 -2.355 1.00 0.00 H new ATOM 997 N PRO A 65 0.650 -22.506 -0.134 1.00 0.00 N ATOM 998 CA PRO A 65 1.708 -23.493 -0.272 1.00 0.00 C ATOM 999 C PRO A 65 2.891 -22.923 -1.057 1.00 0.00 C ATOM 1000 O PRO A 65 2.774 -21.874 -1.688 1.00 0.00 O ATOM 1001 CB PRO A 65 1.052 -24.678 -0.963 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.217 -24.138 -1.601 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.489 -22.765 -1.009 1.00 0.00 C ATOM 0 HA PRO A 65 2.132 -23.792 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.715 -25.108 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.824 -25.469 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.102 -24.071 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.055 -24.809 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.570 -22.007 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.426 -22.752 -0.453 1.00 0.00 H new ATOM 1011 N PRO A 66 4.033 -23.659 -0.990 1.00 0.00 N ATOM 1012 CA PRO A 66 5.237 -23.238 -1.686 1.00 0.00 C ATOM 1013 C PRO A 66 5.118 -23.495 -3.190 1.00 0.00 C ATOM 1014 O PRO A 66 6.054 -23.232 -3.944 1.00 0.00 O ATOM 1015 CB PRO A 66 6.363 -24.024 -1.036 1.00 0.00 C ATOM 1016 CG PRO A 66 5.699 -25.191 -0.324 1.00 0.00 C ATOM 1017 CD PRO A 66 4.208 -24.906 -0.252 1.00 0.00 C ATOM 0 HA PRO A 66 5.419 -22.166 -1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.075 -24.376 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.918 -23.403 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.884 -26.121 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.113 -25.313 0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.628 -25.714 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.873 -24.805 0.781 1.00 0.00 H new ATOM 1025 N GLN A 67 3.960 -24.005 -3.581 1.00 0.00 N ATOM 1026 CA GLN A 67 3.707 -24.300 -4.981 1.00 0.00 C ATOM 1027 C GLN A 67 2.815 -23.221 -5.599 1.00 0.00 C ATOM 1028 O GLN A 67 2.760 -23.079 -6.819 1.00 0.00 O ATOM 1029 CB GLN A 67 3.083 -25.687 -5.145 1.00 0.00 C ATOM 1030 CG GLN A 67 1.696 -25.744 -4.501 1.00 0.00 C ATOM 1031 CD GLN A 67 0.608 -25.937 -5.559 1.00 0.00 C ATOM 1032 OE1 GLN A 67 0.690 -25.438 -6.670 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -0.413 -26.688 -5.155 1.00 0.00 N ATOM 0 H GLN A 67 3.186 -24.222 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 67 4.660 -24.302 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.006 -25.932 -6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.730 -26.437 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.658 -26.562 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.510 -24.824 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.419 -27.075 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.190 -26.876 -5.789 1.00 0.00 H new ATOM 1042 N SER A 68 2.137 -22.489 -4.727 1.00 0.00 N ATOM 1043 CA SER A 68 1.250 -21.427 -5.171 1.00 0.00 C ATOM 1044 C SER A 68 1.757 -20.075 -4.666 1.00 0.00 C ATOM 1045 O SER A 68 1.054 -19.070 -4.758 1.00 0.00 O ATOM 1046 CB SER A 68 -0.183 -21.669 -4.691 1.00 0.00 C ATOM 1047 OG SER A 68 -1.145 -21.090 -5.568 1.00 0.00 O ATOM 0 H SER A 68 2.184 -22.610 -3.715 1.00 0.00 H new ATOM 0 HA SER A 68 1.244 -21.421 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.363 -22.741 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.306 -21.251 -3.692 1.00 0.00 H new ATOM 0 HG SER A 68 -2.047 -21.268 -5.228 1.00 0.00 H new ATOM 1053 N ARG A 69 2.975 -20.094 -4.143 1.00 0.00 N ATOM 1054 CA ARG A 69 3.585 -18.882 -3.623 1.00 0.00 C ATOM 1055 C ARG A 69 4.549 -18.290 -4.652 1.00 0.00 C ATOM 1056 O ARG A 69 4.744 -17.076 -4.699 1.00 0.00 O ATOM 1057 CB ARG A 69 4.344 -19.161 -2.324 1.00 0.00 C ATOM 1058 CG ARG A 69 4.015 -18.111 -1.261 1.00 0.00 C ATOM 1059 CD ARG A 69 5.116 -18.042 -0.200 1.00 0.00 C ATOM 1060 NE ARG A 69 5.506 -16.634 0.033 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.085 -16.191 1.157 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.344 -17.043 2.158 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.406 -14.895 1.281 1.00 0.00 N ATOM 0 H ARG A 69 3.555 -20.930 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 69 2.786 -18.170 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.085 -20.153 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.417 -19.163 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.898 -17.135 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.063 -18.353 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.765 -18.489 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.982 -18.619 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 69 5.323 -15.958 -0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.100 -18.029 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.785 -16.706 3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.209 -14.246 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.847 -14.558 2.137 1.00 0.00 H new ATOM 1077 N GLY A 70 5.129 -19.174 -5.451 1.00 0.00 N ATOM 1078 CA GLY A 70 6.068 -18.754 -6.476 1.00 0.00 C ATOM 1079 C GLY A 70 5.610 -17.454 -7.140 1.00 0.00 C ATOM 1080 O GLY A 70 6.423 -16.573 -7.414 1.00 0.00 O ATOM 0 H GLY A 70 4.966 -20.180 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.055 -18.613 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.164 -19.537 -7.229 1.00 0.00 H new ATOM 1084 N MET A 71 4.309 -17.376 -7.380 1.00 0.00 N ATOM 1085 CA MET A 71 3.733 -16.199 -8.007 1.00 0.00 C ATOM 1086 C MET A 71 3.484 -15.096 -6.977 1.00 0.00 C ATOM 1087 O MET A 71 4.029 -13.999 -7.093 1.00 0.00 O ATOM 1088 CB MET A 71 2.412 -16.575 -8.683 1.00 0.00 C ATOM 1089 CG MET A 71 2.507 -16.410 -10.201 1.00 0.00 C ATOM 1090 SD MET A 71 3.516 -17.709 -10.894 1.00 0.00 S ATOM 1091 CE MET A 71 3.972 -16.953 -12.446 1.00 0.00 C ATOM 0 H MET A 71 3.638 -18.109 -7.151 1.00 0.00 H new ATOM 0 HA MET A 71 4.437 -15.824 -8.750 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.156 -17.607 -8.441 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.609 -15.948 -8.295 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.510 -16.438 -10.641 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.935 -15.437 -10.443 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.608 -17.635 -13.010 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.073 -16.735 -13.023 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.513 -16.027 -12.254 1.00 0.00 H new ATOM 1101 N TYR A 72 2.660 -15.424 -5.993 1.00 0.00 N ATOM 1102 CA TYR A 72 2.332 -14.474 -4.943 1.00 0.00 C ATOM 1103 C TYR A 72 3.595 -13.818 -4.383 1.00 0.00 C ATOM 1104 O TYR A 72 3.708 -12.593 -4.366 1.00 0.00 O ATOM 1105 CB TYR A 72 1.660 -15.287 -3.835 1.00 0.00 C ATOM 1106 CG TYR A 72 0.498 -14.563 -3.150 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.722 -13.376 -2.483 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.773 -15.098 -3.199 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.371 -12.695 -1.839 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.866 -14.417 -2.554 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.611 -13.249 -1.906 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.643 -12.606 -1.297 1.00 0.00 O ATOM 0 H TYR A 72 2.209 -16.334 -5.900 1.00 0.00 H new ATOM 0 HA TYR A 72 1.690 -13.682 -5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.294 -16.223 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.407 -15.546 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.717 -12.958 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.948 -16.027 -3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.210 -11.765 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.866 -14.825 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.469 -13.116 -1.428 1.00 0.00 H new ATOM 1122 N SER A 73 4.515 -14.662 -3.939 1.00 0.00 N ATOM 1123 CA SER A 73 5.766 -14.179 -3.380 1.00 0.00 C ATOM 1124 C SER A 73 6.392 -13.142 -4.315 1.00 0.00 C ATOM 1125 O SER A 73 6.691 -12.025 -3.896 1.00 0.00 O ATOM 1126 CB SER A 73 6.742 -15.332 -3.137 1.00 0.00 C ATOM 1127 OG SER A 73 7.334 -15.267 -1.843 1.00 0.00 O ATOM 0 H SER A 73 4.419 -15.677 -3.955 1.00 0.00 H new ATOM 0 HA SER A 73 5.553 -13.710 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.217 -16.281 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.525 -15.310 -3.895 1.00 0.00 H new ATOM 0 HG SER A 73 7.949 -16.021 -1.726 1.00 0.00 H new ATOM 1133 N ASN A 74 6.570 -13.549 -5.563 1.00 0.00 N ATOM 1134 CA ASN A 74 7.155 -12.669 -6.560 1.00 0.00 C ATOM 1135 C ASN A 74 6.437 -11.319 -6.526 1.00 0.00 C ATOM 1136 O ASN A 74 7.078 -10.269 -6.550 1.00 0.00 O ATOM 1137 CB ASN A 74 7.000 -13.251 -7.967 1.00 0.00 C ATOM 1138 CG ASN A 74 8.279 -13.058 -8.784 1.00 0.00 C ATOM 1139 OD1 ASN A 74 8.987 -12.072 -8.654 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.534 -14.050 -9.632 1.00 0.00 N ATOM 0 H ASN A 74 6.319 -14.476 -5.906 1.00 0.00 H new ATOM 0 HA ASN A 74 8.215 -12.557 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.763 -14.313 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.164 -12.769 -8.474 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.364 -14.014 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.900 -14.847 -9.691 1.00 0.00 H new ATOM 1147 N ARG A 75 5.115 -11.388 -6.469 1.00 0.00 N ATOM 1148 CA ARG A 75 4.303 -10.184 -6.432 1.00 0.00 C ATOM 1149 C ARG A 75 4.505 -9.449 -5.105 1.00 0.00 C ATOM 1150 O ARG A 75 4.711 -8.237 -5.088 1.00 0.00 O ATOM 1151 CB ARG A 75 2.819 -10.515 -6.602 1.00 0.00 C ATOM 1152 CG ARG A 75 2.326 -10.122 -7.997 1.00 0.00 C ATOM 1153 CD ARG A 75 2.439 -8.611 -8.213 1.00 0.00 C ATOM 1154 NE ARG A 75 3.331 -8.329 -9.359 1.00 0.00 N ATOM 1155 CZ ARG A 75 3.756 -7.104 -9.697 1.00 0.00 C ATOM 1156 NH1 ARG A 75 3.372 -6.040 -8.979 1.00 0.00 N ATOM 1157 NH2 ARG A 75 4.564 -6.943 -10.754 1.00 0.00 N ATOM 0 H ARG A 75 4.586 -12.260 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 75 4.618 -9.546 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.660 -11.582 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.236 -9.990 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.910 -10.646 -8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.289 -10.434 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.452 -8.187 -8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.828 -8.135 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 75 3.642 -9.117 -9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.756 -6.163 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.695 -5.107 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.855 -7.753 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.887 -6.011 -11.011 1.00 0.00 H new ATOM 1171 N MET A 76 4.439 -10.214 -4.025 1.00 0.00 N ATOM 1172 CA MET A 76 4.612 -9.651 -2.697 1.00 0.00 C ATOM 1173 C MET A 76 5.766 -8.647 -2.674 1.00 0.00 C ATOM 1174 O MET A 76 5.593 -7.507 -2.245 1.00 0.00 O ATOM 1175 CB MET A 76 4.894 -10.775 -1.698 1.00 0.00 C ATOM 1176 CG MET A 76 3.612 -11.206 -0.983 1.00 0.00 C ATOM 1177 SD MET A 76 3.630 -10.626 0.705 1.00 0.00 S ATOM 1178 CE MET A 76 2.013 -9.875 0.793 1.00 0.00 C ATOM 0 H MET A 76 4.268 -11.219 -4.043 1.00 0.00 H new ATOM 0 HA MET A 76 3.695 -9.130 -2.422 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.329 -11.628 -2.218 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.628 -10.440 -0.966 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.743 -10.806 -1.505 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.523 -12.292 -1.002 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.893 -9.382 1.758 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.909 -9.140 -0.005 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.248 -10.643 0.680 1.00 0.00 H new ATOM 1188 N ARG A 77 6.918 -9.106 -3.140 1.00 0.00 N ATOM 1189 CA ARG A 77 8.101 -8.263 -3.178 1.00 0.00 C ATOM 1190 C ARG A 77 7.856 -7.046 -4.073 1.00 0.00 C ATOM 1191 O ARG A 77 8.388 -5.967 -3.819 1.00 0.00 O ATOM 1192 CB ARG A 77 9.313 -9.036 -3.701 1.00 0.00 C ATOM 1193 CG ARG A 77 10.059 -9.725 -2.556 1.00 0.00 C ATOM 1194 CD ARG A 77 11.458 -9.132 -2.378 1.00 0.00 C ATOM 1195 NE ARG A 77 12.408 -10.191 -1.970 1.00 0.00 N ATOM 1196 CZ ARG A 77 13.690 -9.967 -1.649 1.00 0.00 C ATOM 1197 NH1 ARG A 77 14.182 -8.721 -1.685 1.00 0.00 N ATOM 1198 NH2 ARG A 77 14.479 -10.989 -1.290 1.00 0.00 N ATOM 0 H ARG A 77 7.058 -10.052 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 77 8.307 -7.935 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.988 -9.780 -4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.987 -8.355 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.493 -9.616 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.136 -10.793 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.789 -8.674 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.435 -8.343 -1.626 1.00 0.00 H new ATOM 0 HE ARG A 77 12.066 -11.151 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.581 -7.943 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.158 -8.551 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.104 -11.937 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.455 -10.819 -1.046 1.00 0.00 H new ATOM 1212 N SER A 78 7.050 -7.262 -5.103 1.00 0.00 N ATOM 1213 CA SER A 78 6.728 -6.196 -6.037 1.00 0.00 C ATOM 1214 C SER A 78 5.887 -5.125 -5.340 1.00 0.00 C ATOM 1215 O SER A 78 6.247 -3.949 -5.342 1.00 0.00 O ATOM 1216 CB SER A 78 5.987 -6.741 -7.259 1.00 0.00 C ATOM 1217 OG SER A 78 6.519 -6.229 -8.478 1.00 0.00 O ATOM 0 H SER A 78 6.611 -8.159 -5.311 1.00 0.00 H new ATOM 0 HA SER A 78 7.661 -5.749 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.049 -7.829 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.931 -6.482 -7.188 1.00 0.00 H new ATOM 0 HG SER A 78 6.545 -6.943 -9.149 1.00 0.00 H new ATOM 1223 N TYR A 79 4.782 -5.571 -4.760 1.00 0.00 N ATOM 1224 CA TYR A 79 3.887 -4.665 -4.060 1.00 0.00 C ATOM 1225 C TYR A 79 4.659 -3.780 -3.080 1.00 0.00 C ATOM 1226 O TYR A 79 4.490 -2.561 -3.072 1.00 0.00 O ATOM 1227 CB TYR A 79 2.919 -5.552 -3.275 1.00 0.00 C ATOM 1228 CG TYR A 79 1.998 -6.400 -4.155 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.542 -5.901 -5.358 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.624 -7.663 -3.745 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.675 -6.699 -6.186 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.757 -8.461 -4.573 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.326 -7.940 -5.753 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.493 -8.693 -6.535 1.00 0.00 O ATOM 0 H TYR A 79 4.486 -6.547 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 79 3.375 -4.010 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.493 -6.213 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.308 -4.922 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.835 -4.912 -5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.981 -8.053 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.310 -6.320 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.456 -9.451 -4.264 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.105 -9.585 -6.652 1.00 0.00 H new ATOM 1244 N LYS A 80 5.490 -4.427 -2.276 1.00 0.00 N ATOM 1245 CA LYS A 80 6.288 -3.714 -1.293 1.00 0.00 C ATOM 1246 C LYS A 80 7.116 -2.638 -1.999 1.00 0.00 C ATOM 1247 O LYS A 80 7.281 -1.535 -1.479 1.00 0.00 O ATOM 1248 CB LYS A 80 7.127 -4.694 -0.471 1.00 0.00 C ATOM 1249 CG LYS A 80 6.246 -5.501 0.485 1.00 0.00 C ATOM 1250 CD LYS A 80 7.030 -6.656 1.111 1.00 0.00 C ATOM 1251 CE LYS A 80 6.087 -7.675 1.753 1.00 0.00 C ATOM 1252 NZ LYS A 80 6.568 -9.053 1.509 1.00 0.00 N ATOM 0 H LYS A 80 5.628 -5.438 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 80 5.644 -3.204 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.660 -5.371 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.880 -4.147 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.863 -4.849 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.383 -5.892 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.635 -7.146 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.718 -6.268 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.020 -7.492 2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.083 -7.557 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.758 -9.672 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.220 -9.055 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.064 -9.402 2.354 1.00 0.00 H new ATOM 1266 N GLN A 81 7.615 -2.996 -3.173 1.00 0.00 N ATOM 1267 CA GLN A 81 8.422 -2.075 -3.956 1.00 0.00 C ATOM 1268 C GLN A 81 7.575 -0.889 -4.419 1.00 0.00 C ATOM 1269 O GLN A 81 8.027 0.254 -4.380 1.00 0.00 O ATOM 1270 CB GLN A 81 9.067 -2.787 -5.147 1.00 0.00 C ATOM 1271 CG GLN A 81 10.516 -3.168 -4.839 1.00 0.00 C ATOM 1272 CD GLN A 81 11.350 -1.929 -4.506 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.416 -1.480 -3.373 1.00 0.00 O ATOM 1274 NE2 GLN A 81 11.981 -1.404 -5.552 1.00 0.00 N ATOM 0 H GLN A 81 7.476 -3.911 -3.601 1.00 0.00 H new ATOM 0 HA GLN A 81 9.225 -1.697 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.496 -3.683 -5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.036 -2.139 -6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.542 -3.864 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.950 -3.684 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.883 -1.830 -6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.564 -0.575 -5.433 1.00 0.00 H new ATOM 1283 N GLU A 82 6.361 -1.202 -4.848 1.00 0.00 N ATOM 1284 CA GLU A 82 5.446 -0.175 -5.319 1.00 0.00 C ATOM 1285 C GLU A 82 4.995 0.708 -4.154 1.00 0.00 C ATOM 1286 O GLU A 82 5.076 1.933 -4.232 1.00 0.00 O ATOM 1287 CB GLU A 82 4.244 -0.798 -6.032 1.00 0.00 C ATOM 1288 CG GLU A 82 3.226 0.274 -6.426 1.00 0.00 C ATOM 1289 CD GLU A 82 3.652 0.990 -7.709 1.00 0.00 C ATOM 1290 OE1 GLU A 82 3.352 0.443 -8.792 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.269 2.070 -7.578 1.00 0.00 O ATOM 0 H GLU A 82 5.990 -2.151 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 82 5.972 0.450 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.580 -1.330 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.771 -1.533 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.247 -0.184 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.124 0.998 -5.618 1.00 0.00 H new ATOM 1298 N MET A 83 4.531 0.052 -3.101 1.00 0.00 N ATOM 1299 CA MET A 83 4.067 0.763 -1.921 1.00 0.00 C ATOM 1300 C MET A 83 5.174 1.647 -1.343 1.00 0.00 C ATOM 1301 O MET A 83 5.058 2.871 -1.340 1.00 0.00 O ATOM 1302 CB MET A 83 3.613 -0.244 -0.863 1.00 0.00 C ATOM 1303 CG MET A 83 2.094 -0.199 -0.680 1.00 0.00 C ATOM 1304 SD MET A 83 1.578 1.460 -0.273 1.00 0.00 S ATOM 1305 CE MET A 83 2.256 1.602 1.372 1.00 0.00 C ATOM 0 H MET A 83 4.466 -0.964 -3.040 1.00 0.00 H new ATOM 0 HA MET A 83 3.232 1.401 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.918 -1.248 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.104 -0.027 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.599 -0.529 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.794 -0.886 0.111 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.759 2.414 1.902 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.100 0.668 1.912 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.324 1.810 1.309 1.00 0.00 H new ATOM 1315 N GLY A 84 6.223 0.991 -0.868 1.00 0.00 N ATOM 1316 CA GLY A 84 7.350 1.702 -0.288 1.00 0.00 C ATOM 1317 C GLY A 84 7.757 2.890 -1.162 1.00 0.00 C ATOM 1318 O GLY A 84 8.251 3.897 -0.656 1.00 0.00 O ATOM 0 H GLY A 84 6.316 -0.025 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.088 2.053 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.195 1.022 -0.176 1.00 0.00 H new ATOM 1322 N LYS A 85 7.533 2.734 -2.458 1.00 0.00 N ATOM 1323 CA LYS A 85 7.870 3.782 -3.407 1.00 0.00 C ATOM 1324 C LYS A 85 6.939 4.977 -3.193 1.00 0.00 C ATOM 1325 O LYS A 85 7.384 6.123 -3.193 1.00 0.00 O ATOM 1326 CB LYS A 85 7.853 3.237 -4.836 1.00 0.00 C ATOM 1327 CG LYS A 85 8.364 4.283 -5.829 1.00 0.00 C ATOM 1328 CD LYS A 85 7.456 4.362 -7.058 1.00 0.00 C ATOM 1329 CE LYS A 85 8.278 4.541 -8.336 1.00 0.00 C ATOM 1330 NZ LYS A 85 7.928 5.815 -9.003 1.00 0.00 N ATOM 0 H LYS A 85 7.122 1.898 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 85 8.887 4.136 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.472 2.342 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.839 2.941 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.411 5.258 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.379 4.031 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.857 3.454 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.761 5.195 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.341 4.529 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.095 3.707 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.746 6.159 -9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.126 5.661 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.665 6.521 -8.286 1.00 0.00 H new ATOM 1344 N LEU A 86 5.663 4.667 -3.016 1.00 0.00 N ATOM 1345 CA LEU A 86 4.665 5.701 -2.801 1.00 0.00 C ATOM 1346 C LEU A 86 5.131 6.629 -1.678 1.00 0.00 C ATOM 1347 O LEU A 86 4.887 7.834 -1.722 1.00 0.00 O ATOM 1348 CB LEU A 86 3.291 5.076 -2.552 1.00 0.00 C ATOM 1349 CG LEU A 86 2.547 4.574 -3.791 1.00 0.00 C ATOM 1350 CD1 LEU A 86 1.288 5.405 -4.048 1.00 0.00 C ATOM 1351 CD2 LEU A 86 3.471 4.543 -5.010 1.00 0.00 C ATOM 0 H LEU A 86 5.297 3.715 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 86 4.554 6.314 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.414 4.240 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.664 5.813 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 86 2.225 3.550 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.778 5.028 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.623 5.333 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.566 6.447 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.917 4.182 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.844 5.548 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.311 3.877 -4.813 1.00 0.00 H new ATOM 1363 N GLU A 87 5.794 6.033 -0.698 1.00 0.00 N ATOM 1364 CA GLU A 87 6.297 6.791 0.435 1.00 0.00 C ATOM 1365 C GLU A 87 7.333 7.816 -0.030 1.00 0.00 C ATOM 1366 O GLU A 87 7.620 8.779 0.679 1.00 0.00 O ATOM 1367 CB GLU A 87 6.884 5.862 1.499 1.00 0.00 C ATOM 1368 CG GLU A 87 5.783 5.279 2.387 1.00 0.00 C ATOM 1369 CD GLU A 87 6.341 4.860 3.749 1.00 0.00 C ATOM 1370 OE1 GLU A 87 7.510 4.417 3.771 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.586 4.992 4.736 1.00 0.00 O ATOM 0 H GLU A 87 5.995 5.033 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 87 5.463 7.327 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.434 5.053 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.598 6.411 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.993 6.017 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.332 4.418 1.894 1.00 0.00 H new ATOM 1378 N THR A 88 7.865 7.575 -1.219 1.00 0.00 N ATOM 1379 CA THR A 88 8.863 8.465 -1.787 1.00 0.00 C ATOM 1380 C THR A 88 8.200 9.487 -2.713 1.00 0.00 C ATOM 1381 O THR A 88 8.311 10.692 -2.494 1.00 0.00 O ATOM 1382 CB THR A 88 9.918 7.607 -2.487 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.769 7.173 -1.430 1.00 0.00 O ATOM 1384 CG2 THR A 88 10.838 8.431 -3.391 1.00 0.00 C ATOM 0 H THR A 88 7.624 6.776 -1.805 1.00 0.00 H new ATOM 0 HA THR A 88 9.360 9.048 -1.012 1.00 0.00 H new ATOM 0 HB THR A 88 9.424 6.836 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.482 6.608 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.568 7.774 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.245 8.926 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.358 9.181 -2.795 1.00 0.00 H new ATOM 1392 N ASP A 89 7.525 8.969 -3.728 1.00 0.00 N ATOM 1393 CA ASP A 89 6.844 9.821 -4.688 1.00 0.00 C ATOM 1394 C ASP A 89 5.900 10.767 -3.943 1.00 0.00 C ATOM 1395 O ASP A 89 5.569 11.841 -4.444 1.00 0.00 O ATOM 1396 CB ASP A 89 6.008 8.992 -5.665 1.00 0.00 C ATOM 1397 CG ASP A 89 6.730 8.591 -6.954 1.00 0.00 C ATOM 1398 OD1 ASP A 89 7.235 9.511 -7.632 1.00 0.00 O ATOM 1399 OD2 ASP A 89 6.760 7.372 -7.231 1.00 0.00 O ATOM 0 H ASP A 89 7.435 7.969 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 89 7.601 10.376 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.673 8.087 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.115 9.559 -5.928 1.00 0.00 H new ATOM 1404 N PHE A 90 5.493 10.335 -2.759 1.00 0.00 N ATOM 1405 CA PHE A 90 4.594 11.130 -1.940 1.00 0.00 C ATOM 1406 C PHE A 90 5.350 12.253 -1.227 1.00 0.00 C ATOM 1407 O PHE A 90 4.833 13.359 -1.081 1.00 0.00 O ATOM 1408 CB PHE A 90 3.993 10.190 -0.893 1.00 0.00 C ATOM 1409 CG PHE A 90 3.158 10.900 0.174 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.345 11.934 -0.175 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.227 10.498 1.471 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.570 12.593 0.816 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.452 11.157 2.462 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.640 12.191 2.113 1.00 0.00 C ATOM 0 H PHE A 90 5.769 9.444 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 90 3.826 11.586 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.368 9.453 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.800 9.644 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.289 12.253 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.872 9.677 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.925 13.414 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.507 10.837 3.492 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.051 12.693 2.866 1.00 0.00 H new ATOM 1424 N LYS A 91 6.562 11.929 -0.801 1.00 0.00 N ATOM 1425 CA LYS A 91 7.395 12.896 -0.107 1.00 0.00 C ATOM 1426 C LYS A 91 8.153 13.740 -1.133 1.00 0.00 C ATOM 1427 O LYS A 91 8.722 14.776 -0.791 1.00 0.00 O ATOM 1428 CB LYS A 91 8.304 12.193 0.903 1.00 0.00 C ATOM 1429 CG LYS A 91 9.730 12.743 0.833 1.00 0.00 C ATOM 1430 CD LYS A 91 10.671 11.944 1.736 1.00 0.00 C ATOM 1431 CE LYS A 91 12.133 12.179 1.350 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.567 13.531 1.764 1.00 0.00 N ATOM 0 H LYS A 91 6.987 11.010 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 91 6.779 13.580 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.908 12.327 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.314 11.121 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.088 12.705 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.735 13.791 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.515 12.232 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.438 10.882 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.765 11.427 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.254 12.066 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.561 13.674 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.975 14.245 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.471 13.626 2.795 1.00 0.00 H new ATOM 1446 N ARG A 92 8.135 13.267 -2.370 1.00 0.00 N ATOM 1447 CA ARG A 92 8.813 13.965 -3.449 1.00 0.00 C ATOM 1448 C ARG A 92 7.814 14.798 -4.254 1.00 0.00 C ATOM 1449 O ARG A 92 8.178 15.418 -5.252 1.00 0.00 O ATOM 1450 CB ARG A 92 9.518 12.982 -4.385 1.00 0.00 C ATOM 1451 CG ARG A 92 10.914 12.633 -3.865 1.00 0.00 C ATOM 1452 CD ARG A 92 11.620 11.652 -4.803 1.00 0.00 C ATOM 1453 NE ARG A 92 12.143 12.372 -5.986 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.163 13.240 -5.947 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.775 13.502 -4.784 1.00 0.00 N ATOM 1456 NH2 ARG A 92 13.570 13.846 -7.070 1.00 0.00 N ATOM 0 H ARG A 92 7.661 12.408 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 92 9.560 14.621 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.923 12.073 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.596 13.416 -5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.508 13.542 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.836 12.197 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.437 11.157 -4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.926 10.873 -5.118 1.00 0.00 H new ATOM 0 HE ARG A 92 11.699 12.196 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.464 13.041 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.552 14.163 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.103 13.647 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.346 14.507 -7.040 1.00 0.00 H new ATOM 1470 N SER A 93 6.573 14.786 -3.790 1.00 0.00 N ATOM 1471 CA SER A 93 5.518 15.532 -4.454 1.00 0.00 C ATOM 1472 C SER A 93 4.988 16.628 -3.526 1.00 0.00 C ATOM 1473 O SER A 93 4.682 17.732 -3.975 1.00 0.00 O ATOM 1474 CB SER A 93 4.378 14.608 -4.888 1.00 0.00 C ATOM 1475 OG SER A 93 4.533 14.165 -6.233 1.00 0.00 O ATOM 0 H SER A 93 6.275 14.271 -2.962 1.00 0.00 H new ATOM 0 HA SER A 93 5.937 15.993 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.339 13.744 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.428 15.132 -4.786 1.00 0.00 H new ATOM 0 HG SER A 93 3.689 14.284 -6.716 1.00 0.00 H new ATOM 1481 N ARG A 94 4.896 16.285 -2.250 1.00 0.00 N ATOM 1482 CA ARG A 94 4.409 17.226 -1.255 1.00 0.00 C ATOM 1483 C ARG A 94 5.495 18.249 -0.915 1.00 0.00 C ATOM 1484 O ARG A 94 5.282 19.133 -0.088 1.00 0.00 O ATOM 1485 CB ARG A 94 3.980 16.503 0.023 1.00 0.00 C ATOM 1486 CG ARG A 94 5.188 15.898 0.742 1.00 0.00 C ATOM 1487 CD ARG A 94 4.755 15.142 2.000 1.00 0.00 C ATOM 1488 NE ARG A 94 5.864 15.113 2.980 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.704 14.875 4.288 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.480 14.643 4.782 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.767 14.868 5.103 1.00 0.00 N ATOM 0 H ARG A 94 5.150 15.368 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 94 3.544 17.737 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.470 17.201 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.266 15.716 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.714 15.221 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.889 16.688 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.882 15.623 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.462 14.125 1.740 1.00 0.00 H new ATOM 0 HE ARG A 94 6.809 15.285 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.670 14.648 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.358 14.462 5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.699 15.044 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.645 14.687 6.099 1.00 0.00 H new ATOM 1505 N ILE A 95 6.635 18.093 -1.571 1.00 0.00 N ATOM 1506 CA ILE A 95 7.755 18.992 -1.349 1.00 0.00 C ATOM 1507 C ILE A 95 7.717 20.114 -2.389 1.00 0.00 C ATOM 1508 O ILE A 95 8.743 20.726 -2.685 1.00 0.00 O ATOM 1509 CB ILE A 95 9.072 18.214 -1.331 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.288 17.472 -2.652 1.00 0.00 C ATOM 1511 CG2 ILE A 95 9.136 17.272 -0.127 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.774 17.197 -2.889 1.00 0.00 C ATOM 0 H ILE A 95 6.808 17.358 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 95 7.677 19.463 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 95 9.889 18.927 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.738 16.531 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.888 18.064 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.082 16.731 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.060 17.852 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.311 16.561 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.900 16.669 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.317 18.141 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.165 16.585 -2.076 1.00 0.00 H new