USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 474 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 52 ASN : amide:sc= -0.107 K(o=-0.77,f=-3!) USER MOD Set 1.2: A 62 MET CE :methyl -131:sc= -0.661 (180deg=-0.032) USER MOD Set 2.1: A 15 LYS NZ :NH3+ -141:sc=-0.00461 (180deg=0) USER MOD Set 2.2: A 70 MET CE :methyl -145:sc= -0.219 (180deg=-0.184) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.33! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0136 (180deg=-0.176) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0323) USER MOD Single : A 48 MET CE :methyl 171:sc= 0 (180deg=-0.0689) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00881 USER MOD Single : A 60 MET CE :methyl -166:sc= -0.147 (180deg=-0.341) USER MOD Single : A 66 THR OG1 : rot 106:sc= 1.2 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.226 8.634 -5.620 1.00 0.00 N ATOM 110 CA THR A 7 -6.017 7.165 -5.483 1.00 0.00 C ATOM 111 C THR A 7 -6.635 6.686 -4.156 1.00 0.00 C ATOM 112 O THR A 7 -7.068 7.489 -3.353 1.00 0.00 O ATOM 113 CB THR A 7 -4.500 6.873 -5.554 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.267 5.809 -6.464 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.927 6.505 -4.179 1.00 0.00 C ATOM 0 HA THR A 7 -6.508 6.622 -6.291 1.00 0.00 H new ATOM 0 HB THR A 7 -3.998 7.779 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.306 5.624 -6.512 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.859 6.307 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.085 7.332 -3.486 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.430 5.614 -3.802 1.00 0.00 H new ATOM 123 N PRO A 8 -6.662 5.391 -3.972 1.00 0.00 N ATOM 124 CA PRO A 8 -7.226 4.768 -2.760 1.00 0.00 C ATOM 125 C PRO A 8 -6.255 4.914 -1.580 1.00 0.00 C ATOM 126 O PRO A 8 -5.163 5.419 -1.744 1.00 0.00 O ATOM 127 CB PRO A 8 -7.403 3.299 -3.164 1.00 0.00 C ATOM 128 CG PRO A 8 -6.440 3.051 -4.347 1.00 0.00 C ATOM 129 CD PRO A 8 -6.122 4.427 -4.953 1.00 0.00 C ATOM 0 HA PRO A 8 -8.160 5.225 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.172 2.637 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.434 3.098 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.529 2.558 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.899 2.398 -5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.050 4.561 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.590 4.549 -5.930 1.00 0.00 H new ATOM 137 N PRO A 9 -6.685 4.471 -0.424 1.00 0.00 N ATOM 138 CA PRO A 9 -5.873 4.548 0.804 1.00 0.00 C ATOM 139 C PRO A 9 -4.720 3.538 0.761 1.00 0.00 C ATOM 140 O PRO A 9 -4.731 2.597 -0.005 1.00 0.00 O ATOM 141 CB PRO A 9 -6.869 4.225 1.921 1.00 0.00 C ATOM 142 CG PRO A 9 -8.035 3.459 1.255 1.00 0.00 C ATOM 143 CD PRO A 9 -8.015 3.849 -0.234 1.00 0.00 C ATOM 0 HA PRO A 9 -5.399 5.520 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.400 3.621 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.226 5.137 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.913 2.383 1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.987 3.725 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.144 2.978 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.819 4.544 -0.475 1.00 0.00 H new ATOM 151 N ALA A 10 -3.718 3.743 1.573 1.00 0.00 N ATOM 152 CA ALA A 10 -2.547 2.823 1.582 1.00 0.00 C ATOM 153 C ALA A 10 -3.009 1.369 1.473 1.00 0.00 C ATOM 154 O ALA A 10 -2.862 0.737 0.446 1.00 0.00 O ATOM 155 CB ALA A 10 -1.767 3.005 2.886 1.00 0.00 C ATOM 0 H ALA A 10 -3.661 4.516 2.236 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.910 3.058 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.910 2.332 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.420 4.036 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.415 2.777 3.732 1.00 0.00 H new ATOM 161 N ALA A 11 -3.551 0.834 2.528 1.00 0.00 N ATOM 162 CA ALA A 11 -4.009 -0.585 2.494 1.00 0.00 C ATOM 163 C ALA A 11 -4.725 -0.870 1.172 1.00 0.00 C ATOM 164 O ALA A 11 -4.207 -1.550 0.308 1.00 0.00 O ATOM 165 CB ALA A 11 -4.966 -0.844 3.659 1.00 0.00 C ATOM 0 H ALA A 11 -3.698 1.316 3.415 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.143 -1.241 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.299 -1.881 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.453 -0.652 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.829 -0.183 3.575 1.00 0.00 H new ATOM 171 N VAL A 12 -5.913 -0.360 1.006 1.00 0.00 N ATOM 172 CA VAL A 12 -6.658 -0.608 -0.260 1.00 0.00 C ATOM 173 C VAL A 12 -5.734 -0.382 -1.461 1.00 0.00 C ATOM 174 O VAL A 12 -5.746 -1.139 -2.410 1.00 0.00 O ATOM 175 CB VAL A 12 -7.851 0.344 -0.342 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.489 0.247 -1.728 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.883 -0.040 0.722 1.00 0.00 C ATOM 0 H VAL A 12 -6.400 0.217 1.691 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.013 -1.638 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.512 1.366 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.340 0.926 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.755 0.520 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.828 -0.774 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.734 0.638 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.221 -1.062 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.429 0.030 1.711 1.00 0.00 H new ATOM 187 N LEU A 13 -4.935 0.650 -1.431 1.00 0.00 N ATOM 188 CA LEU A 13 -4.020 0.905 -2.580 1.00 0.00 C ATOM 189 C LEU A 13 -3.118 -0.308 -2.781 1.00 0.00 C ATOM 190 O LEU A 13 -2.734 -0.636 -3.885 1.00 0.00 O ATOM 191 CB LEU A 13 -3.158 2.137 -2.300 1.00 0.00 C ATOM 192 CG LEU A 13 -2.593 2.680 -3.614 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.859 3.997 -3.352 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.614 1.665 -4.205 1.00 0.00 C ATOM 0 H LEU A 13 -4.876 1.323 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.612 1.081 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.753 2.904 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.344 1.877 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.410 2.852 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.457 4.382 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.554 4.723 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.043 3.825 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.211 2.051 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.799 1.494 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.134 0.726 -4.394 1.00 0.00 H new ATOM 206 N LEU A 14 -2.790 -0.984 -1.719 1.00 0.00 N ATOM 207 CA LEU A 14 -1.921 -2.185 -1.849 1.00 0.00 C ATOM 208 C LEU A 14 -2.696 -3.260 -2.610 1.00 0.00 C ATOM 209 O LEU A 14 -2.220 -3.806 -3.585 1.00 0.00 O ATOM 210 CB LEU A 14 -1.536 -2.699 -0.461 1.00 0.00 C ATOM 211 CG LEU A 14 -0.217 -2.054 -0.030 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.859 -2.341 -1.079 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.408 -0.542 0.097 1.00 0.00 C ATOM 0 H LEU A 14 -3.084 -0.759 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.009 -1.932 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.321 -2.463 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.435 -3.784 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 14 0.091 -2.466 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.798 -1.881 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.996 -3.418 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.550 -1.928 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.531 -0.081 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.716 -0.132 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.175 -0.334 0.843 1.00 0.00 H new ATOM 225 N LYS A 15 -3.899 -3.551 -2.192 1.00 0.00 N ATOM 226 CA LYS A 15 -4.699 -4.567 -2.923 1.00 0.00 C ATOM 227 C LYS A 15 -4.807 -4.116 -4.379 1.00 0.00 C ATOM 228 O LYS A 15 -4.907 -4.910 -5.289 1.00 0.00 O ATOM 229 CB LYS A 15 -6.097 -4.674 -2.308 1.00 0.00 C ATOM 230 CG LYS A 15 -6.556 -6.134 -2.343 1.00 0.00 C ATOM 231 CD LYS A 15 -6.949 -6.581 -0.934 1.00 0.00 C ATOM 232 CE LYS A 15 -8.472 -6.680 -0.835 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.870 -6.796 0.595 1.00 0.00 N ATOM 0 H LYS A 15 -4.356 -3.131 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.220 -5.544 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.084 -4.310 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.798 -4.047 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.403 -6.243 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.757 -6.768 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.496 -7.546 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.572 -5.871 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.934 -5.800 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.828 -7.545 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.658 -7.469 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.061 -7.135 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.169 -5.865 0.949 1.00 0.00 H new ATOM 247 N LYS A 16 -4.772 -2.834 -4.604 1.00 0.00 N ATOM 248 CA LYS A 16 -4.847 -2.329 -5.997 1.00 0.00 C ATOM 249 C LYS A 16 -3.531 -2.638 -6.697 1.00 0.00 C ATOM 250 O LYS A 16 -3.468 -3.414 -7.631 1.00 0.00 O ATOM 251 CB LYS A 16 -5.084 -0.818 -5.987 1.00 0.00 C ATOM 252 CG LYS A 16 -6.551 -0.537 -5.649 1.00 0.00 C ATOM 253 CD LYS A 16 -7.394 -0.638 -6.922 1.00 0.00 C ATOM 254 CE LYS A 16 -7.548 0.750 -7.546 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.996 1.078 -7.677 1.00 0.00 N ATOM 0 H LYS A 16 -4.695 -2.116 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.671 -2.811 -6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.433 -0.341 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.835 -0.393 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.908 -1.250 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.651 0.456 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.920 -1.316 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.374 -1.054 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.050 1.496 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.068 0.776 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.101 2.022 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.458 0.372 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.440 1.070 -6.737 1.00 0.00 H new ATOM 269 N ALA A 17 -2.482 -2.030 -6.242 1.00 0.00 N ATOM 270 CA ALA A 17 -1.142 -2.261 -6.855 1.00 0.00 C ATOM 271 C ALA A 17 -0.696 -3.711 -6.633 1.00 0.00 C ATOM 272 O ALA A 17 -0.504 -4.461 -7.570 1.00 0.00 O ATOM 273 CB ALA A 17 -0.122 -1.317 -6.215 1.00 0.00 C ATOM 0 H ALA A 17 -2.489 -1.373 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.207 -2.070 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.858 -1.484 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.426 -0.284 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.070 -1.510 -5.143 1.00 0.00 H new ATOM 279 N ALA A 18 -0.510 -4.106 -5.400 1.00 0.00 N ATOM 280 CA ALA A 18 -0.054 -5.500 -5.117 1.00 0.00 C ATOM 281 C ALA A 18 -1.219 -6.484 -5.238 1.00 0.00 C ATOM 282 O ALA A 18 -1.052 -7.596 -5.697 1.00 0.00 O ATOM 283 CB ALA A 18 0.518 -5.566 -3.698 1.00 0.00 C ATOM 0 H ALA A 18 -0.654 -3.523 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 18 0.711 -5.773 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.852 -6.582 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.362 -4.882 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.253 -5.281 -2.981 1.00 0.00 H new ATOM 289 N GLY A 19 -2.394 -6.099 -4.822 1.00 0.00 N ATOM 290 CA GLY A 19 -3.546 -7.039 -4.910 1.00 0.00 C ATOM 291 C GLY A 19 -3.141 -8.387 -4.324 1.00 0.00 C ATOM 292 O GLY A 19 -3.688 -9.416 -4.666 1.00 0.00 O ATOM 0 H GLY A 19 -2.605 -5.182 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.401 -6.636 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.854 -7.159 -5.949 1.00 0.00 H new ATOM 447 N LYS A 31 0.623 -12.499 7.521 1.00 0.00 N ATOM 448 CA LYS A 31 1.482 -12.356 6.310 1.00 0.00 C ATOM 449 C LYS A 31 1.041 -13.359 5.242 1.00 0.00 C ATOM 450 O LYS A 31 1.270 -14.546 5.356 1.00 0.00 O ATOM 451 CB LYS A 31 2.940 -12.625 6.688 1.00 0.00 C ATOM 452 CG LYS A 31 3.256 -11.940 8.019 1.00 0.00 C ATOM 453 CD LYS A 31 4.771 -11.787 8.164 1.00 0.00 C ATOM 454 CE LYS A 31 5.412 -13.167 8.322 1.00 0.00 C ATOM 455 NZ LYS A 31 6.004 -13.592 7.023 1.00 0.00 N ATOM 0 HA LYS A 31 1.385 -11.344 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.114 -13.698 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.604 -12.252 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.775 -10.963 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.858 -12.527 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.181 -11.282 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.003 -11.166 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.183 -13.136 9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.665 -13.891 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.700 -14.347 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.252 -13.946 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.474 -12.780 6.574 1.00 0.00 H new ATOM 469 N VAL A 32 0.409 -12.889 4.200 1.00 0.00 N ATOM 470 CA VAL A 32 -0.043 -13.816 3.124 1.00 0.00 C ATOM 471 C VAL A 32 0.466 -13.321 1.769 1.00 0.00 C ATOM 472 O VAL A 32 0.123 -13.854 0.732 1.00 0.00 O ATOM 473 CB VAL A 32 -1.570 -13.871 3.111 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.078 -14.270 4.497 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.124 -12.492 2.741 1.00 0.00 C ATOM 0 H VAL A 32 0.187 -11.905 4.048 1.00 0.00 H new ATOM 0 HA VAL A 32 0.355 -14.813 3.313 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.902 -14.606 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.167 -14.309 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.682 -15.250 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.748 -13.535 5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.213 -12.528 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.792 -11.758 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.761 -12.207 1.753 1.00 0.00 H new ATOM 485 N ALA A 33 1.285 -12.307 1.771 1.00 0.00 N ATOM 486 CA ALA A 33 1.824 -11.775 0.487 1.00 0.00 C ATOM 487 C ALA A 33 3.123 -11.015 0.763 1.00 0.00 C ATOM 488 O ALA A 33 3.247 -10.322 1.754 1.00 0.00 O ATOM 489 CB ALA A 33 0.804 -10.825 -0.147 1.00 0.00 C ATOM 0 H ALA A 33 1.606 -11.822 2.609 1.00 0.00 H new ATOM 0 HA ALA A 33 2.018 -12.602 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.201 -10.438 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.124 -11.364 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.607 -9.996 0.533 1.00 0.00 H new ATOM 495 N THR A 34 4.095 -11.136 -0.100 1.00 0.00 N ATOM 496 CA THR A 34 5.379 -10.417 0.125 1.00 0.00 C ATOM 497 C THR A 34 5.859 -9.789 -1.184 1.00 0.00 C ATOM 498 O THR A 34 6.362 -10.463 -2.061 1.00 0.00 O ATOM 499 CB THR A 34 6.435 -11.399 0.633 1.00 0.00 C ATOM 500 OG1 THR A 34 5.795 -12.536 1.192 1.00 0.00 O ATOM 501 CG2 THR A 34 7.294 -10.716 1.696 1.00 0.00 C ATOM 0 H THR A 34 4.055 -11.700 -0.949 1.00 0.00 H new ATOM 0 HA THR A 34 5.223 -9.633 0.866 1.00 0.00 H new ATOM 0 HB THR A 34 7.069 -11.714 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.472 -13.166 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.047 -11.415 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.786 -9.845 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.662 -10.400 2.526 1.00 0.00 H new ATOM 509 N ILE A 35 5.718 -8.500 -1.315 1.00 0.00 N ATOM 510 CA ILE A 35 6.175 -7.816 -2.560 1.00 0.00 C ATOM 511 C ILE A 35 7.497 -7.109 -2.280 1.00 0.00 C ATOM 512 O ILE A 35 7.828 -6.827 -1.152 1.00 0.00 O ATOM 513 CB ILE A 35 5.139 -6.780 -2.997 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.479 -6.167 -1.758 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.073 -7.459 -3.858 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.748 -4.883 -2.148 1.00 0.00 C ATOM 0 H ILE A 35 5.305 -7.887 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 35 6.302 -8.554 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 35 5.628 -5.996 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.778 -6.877 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.233 -5.952 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.334 -6.722 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.542 -7.898 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.583 -8.242 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.279 -4.449 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.460 -4.172 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.983 -5.111 -2.890 1.00 0.00 H new ATOM 528 N LYS A 36 8.254 -6.805 -3.288 1.00 0.00 N ATOM 529 CA LYS A 36 9.538 -6.103 -3.038 1.00 0.00 C ATOM 530 C LYS A 36 9.281 -4.596 -2.980 1.00 0.00 C ATOM 531 O LYS A 36 8.152 -4.151 -3.032 1.00 0.00 O ATOM 532 CB LYS A 36 10.524 -6.417 -4.166 1.00 0.00 C ATOM 533 CG LYS A 36 11.527 -7.470 -3.690 1.00 0.00 C ATOM 534 CD LYS A 36 11.947 -8.347 -4.870 1.00 0.00 C ATOM 535 CE LYS A 36 10.880 -9.416 -5.120 1.00 0.00 C ATOM 536 NZ LYS A 36 11.534 -10.671 -5.586 1.00 0.00 N ATOM 0 H LYS A 36 8.045 -7.009 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 36 9.962 -6.438 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.987 -6.781 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.048 -5.510 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.401 -6.985 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.081 -8.084 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.079 -7.735 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.907 -8.819 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.317 -9.604 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.167 -9.066 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.810 -11.398 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.052 -10.485 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.198 -11.007 -4.859 1.00 0.00 H new ATOM 550 N ARG A 37 10.313 -3.809 -2.872 1.00 0.00 N ATOM 551 CA ARG A 37 10.118 -2.334 -2.808 1.00 0.00 C ATOM 552 C ARG A 37 9.493 -1.847 -4.115 1.00 0.00 C ATOM 553 O ARG A 37 8.996 -0.744 -4.207 1.00 0.00 O ATOM 554 CB ARG A 37 11.468 -1.643 -2.594 1.00 0.00 C ATOM 555 CG ARG A 37 11.242 -0.161 -2.291 1.00 0.00 C ATOM 556 CD ARG A 37 12.365 0.664 -2.924 1.00 0.00 C ATOM 557 NE ARG A 37 13.683 0.102 -2.518 1.00 0.00 N ATOM 558 CZ ARG A 37 14.659 0.038 -3.381 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.616 -0.829 -4.356 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.681 0.844 -3.269 1.00 0.00 N ATOM 0 H ARG A 37 11.283 -4.122 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 37 9.456 -2.092 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.004 -2.116 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.089 -1.752 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.276 0.158 -2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.219 0.002 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.272 0.652 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.289 1.705 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 37 13.823 -0.233 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.818 -1.458 -4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.380 -0.877 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.715 1.522 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.445 0.795 -3.943 1.00 0.00 H new ATOM 574 N ASP A 38 9.517 -2.666 -5.125 1.00 0.00 N ATOM 575 CA ASP A 38 8.927 -2.261 -6.434 1.00 0.00 C ATOM 576 C ASP A 38 7.445 -1.925 -6.251 1.00 0.00 C ATOM 577 O ASP A 38 6.910 -1.053 -6.911 1.00 0.00 O ATOM 578 CB ASP A 38 9.067 -3.409 -7.434 1.00 0.00 C ATOM 579 CG ASP A 38 10.016 -2.994 -8.560 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.092 -2.510 -8.253 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.648 -3.168 -9.710 1.00 0.00 O ATOM 0 H ASP A 38 9.921 -3.603 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 38 9.453 -1.383 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.449 -4.298 -6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.091 -3.669 -7.844 1.00 0.00 H new ATOM 586 N LYS A 39 6.772 -2.614 -5.370 1.00 0.00 N ATOM 587 CA LYS A 39 5.323 -2.339 -5.160 1.00 0.00 C ATOM 588 C LYS A 39 5.150 -1.143 -4.232 1.00 0.00 C ATOM 589 O LYS A 39 4.505 -0.171 -4.571 1.00 0.00 O ATOM 590 CB LYS A 39 4.679 -3.551 -4.513 1.00 0.00 C ATOM 591 CG LYS A 39 3.904 -4.356 -5.564 1.00 0.00 C ATOM 592 CD LYS A 39 4.726 -4.455 -6.853 1.00 0.00 C ATOM 593 CE LYS A 39 4.489 -5.817 -7.511 1.00 0.00 C ATOM 594 NZ LYS A 39 5.788 -6.372 -7.984 1.00 0.00 N ATOM 0 H LYS A 39 7.163 -3.354 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 39 4.856 -2.126 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.443 -4.178 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.006 -3.234 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.687 -5.354 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.946 -3.877 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.444 -3.655 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.785 -4.327 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.026 -6.501 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.799 -5.713 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.628 -7.297 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.212 -5.722 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.432 -6.485 -7.175 1.00 0.00 H new ATOM 608 N VAL A 40 5.730 -1.195 -3.066 1.00 0.00 N ATOM 609 CA VAL A 40 5.590 -0.045 -2.140 1.00 0.00 C ATOM 610 C VAL A 40 6.232 1.164 -2.806 1.00 0.00 C ATOM 611 O VAL A 40 6.004 2.295 -2.428 1.00 0.00 O ATOM 612 CB VAL A 40 6.304 -0.349 -0.821 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.921 0.702 0.221 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.884 -1.734 -0.323 1.00 0.00 C ATOM 0 H VAL A 40 6.288 -1.975 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 40 4.539 0.147 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 40 7.382 -0.329 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.430 0.485 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.217 1.690 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.843 0.682 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.392 -1.952 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.806 -1.752 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.155 -2.485 -1.065 1.00 0.00 H new ATOM 624 N ARG A 41 7.017 0.928 -3.826 1.00 0.00 N ATOM 625 CA ARG A 41 7.651 2.063 -4.547 1.00 0.00 C ATOM 626 C ARG A 41 6.577 2.766 -5.379 1.00 0.00 C ATOM 627 O ARG A 41 6.305 3.936 -5.205 1.00 0.00 O ATOM 628 CB ARG A 41 8.761 1.545 -5.468 1.00 0.00 C ATOM 629 CG ARG A 41 9.292 2.692 -6.336 1.00 0.00 C ATOM 630 CD ARG A 41 9.599 2.172 -7.743 1.00 0.00 C ATOM 631 NE ARG A 41 8.628 2.759 -8.709 1.00 0.00 N ATOM 632 CZ ARG A 41 9.032 3.147 -9.889 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.116 2.639 -10.408 1.00 0.00 N ATOM 634 NH2 ARG A 41 8.351 4.042 -10.549 1.00 0.00 N ATOM 0 H ARG A 41 7.243 0.001 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 41 8.089 2.759 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.571 1.121 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.377 0.745 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.556 3.494 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.192 3.113 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.617 2.438 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.536 1.084 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 41 7.647 2.858 -8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.648 1.938 -9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.431 2.942 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.503 4.439 -10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.666 4.345 -11.470 1.00 0.00 H new ATOM 648 N GLU A 42 5.952 2.047 -6.276 1.00 0.00 N ATOM 649 CA GLU A 42 4.882 2.660 -7.112 1.00 0.00 C ATOM 650 C GLU A 42 3.747 3.120 -6.200 1.00 0.00 C ATOM 651 O GLU A 42 3.330 4.260 -6.224 1.00 0.00 O ATOM 652 CB GLU A 42 4.349 1.626 -8.106 1.00 0.00 C ATOM 653 CG GLU A 42 5.225 1.620 -9.362 1.00 0.00 C ATOM 654 CD GLU A 42 4.706 2.662 -10.352 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.890 3.841 -10.094 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.131 2.266 -11.353 1.00 0.00 O ATOM 0 H GLU A 42 6.138 1.062 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 42 5.286 3.510 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.344 0.636 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.318 1.860 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.260 1.838 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.215 0.631 -9.820 1.00 0.00 H new ATOM 663 N ILE A 43 3.248 2.223 -5.395 1.00 0.00 N ATOM 664 CA ILE A 43 2.141 2.567 -4.463 1.00 0.00 C ATOM 665 C ILE A 43 2.385 3.953 -3.856 1.00 0.00 C ATOM 666 O ILE A 43 1.576 4.849 -3.991 1.00 0.00 O ATOM 667 CB ILE A 43 2.091 1.501 -3.360 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.284 0.298 -3.858 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.426 2.066 -2.099 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.171 -0.950 -3.854 1.00 0.00 C ATOM 0 H ILE A 43 3.565 1.255 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 43 1.190 2.590 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 43 3.109 1.196 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.414 0.141 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.911 0.489 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.399 1.297 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.997 2.922 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.409 2.381 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.596 -1.806 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.027 -0.790 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.522 -1.143 -2.840 1.00 0.00 H new ATOM 682 N ALA A 44 3.491 4.139 -3.191 1.00 0.00 N ATOM 683 CA ALA A 44 3.770 5.470 -2.582 1.00 0.00 C ATOM 684 C ALA A 44 3.819 6.521 -3.691 1.00 0.00 C ATOM 685 O ALA A 44 3.216 7.575 -3.591 1.00 0.00 O ATOM 686 CB ALA A 44 5.115 5.426 -1.851 1.00 0.00 C ATOM 0 H ALA A 44 4.211 3.431 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 44 2.985 5.724 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.319 6.400 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.079 4.669 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.906 5.178 -2.559 1.00 0.00 H new ATOM 692 N GLU A 45 4.519 6.238 -4.755 1.00 0.00 N ATOM 693 CA GLU A 45 4.593 7.216 -5.872 1.00 0.00 C ATOM 694 C GLU A 45 3.176 7.531 -6.342 1.00 0.00 C ATOM 695 O GLU A 45 2.875 8.631 -6.762 1.00 0.00 O ATOM 696 CB GLU A 45 5.397 6.612 -7.029 1.00 0.00 C ATOM 697 CG GLU A 45 6.487 7.595 -7.463 1.00 0.00 C ATOM 698 CD GLU A 45 6.413 7.800 -8.976 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.314 7.773 -9.506 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.457 7.982 -9.581 1.00 0.00 O ATOM 0 H GLU A 45 5.041 5.373 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 45 5.083 8.129 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.846 5.668 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.737 6.391 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.358 8.548 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.469 7.213 -7.184 1.00 0.00 H new ATOM 707 N LEU A 46 2.302 6.568 -6.262 1.00 0.00 N ATOM 708 CA LEU A 46 0.893 6.797 -6.687 1.00 0.00 C ATOM 709 C LEU A 46 0.241 7.801 -5.735 1.00 0.00 C ATOM 710 O LEU A 46 0.006 8.939 -6.084 1.00 0.00 O ATOM 711 CB LEU A 46 0.126 5.477 -6.641 1.00 0.00 C ATOM 712 CG LEU A 46 -0.190 5.020 -8.068 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.956 6.124 -8.800 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.116 4.730 -8.811 1.00 0.00 C ATOM 0 H LEU A 46 2.503 5.629 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 46 0.874 7.189 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.717 4.719 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.797 5.600 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.799 4.116 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.181 5.799 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.886 6.333 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.347 7.028 -8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.892 4.405 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.724 5.634 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.664 3.944 -8.291 1.00 0.00 H new ATOM 726 N LYS A 47 -0.049 7.384 -4.530 1.00 0.00 N ATOM 727 CA LYS A 47 -0.683 8.307 -3.544 1.00 0.00 C ATOM 728 C LYS A 47 0.370 9.240 -2.920 1.00 0.00 C ATOM 729 O LYS A 47 0.188 9.740 -1.828 1.00 0.00 O ATOM 730 CB LYS A 47 -1.346 7.488 -2.436 1.00 0.00 C ATOM 731 CG LYS A 47 -2.379 8.352 -1.709 1.00 0.00 C ATOM 732 CD LYS A 47 -3.430 7.452 -1.052 1.00 0.00 C ATOM 733 CE LYS A 47 -3.929 8.103 0.239 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.406 8.289 0.159 1.00 0.00 N ATOM 0 H LYS A 47 0.127 6.440 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.428 8.911 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.827 6.606 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.593 7.133 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.888 8.966 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.858 9.034 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.264 7.291 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.001 6.473 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.676 7.479 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.438 9.064 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.762 8.637 1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.629 8.980 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.859 7.380 -0.066 1.00 0.00 H new ATOM 748 N MET A 48 1.469 9.479 -3.587 1.00 0.00 N ATOM 749 CA MET A 48 2.513 10.372 -3.008 1.00 0.00 C ATOM 750 C MET A 48 2.002 11.819 -2.931 1.00 0.00 C ATOM 751 O MET A 48 2.155 12.462 -1.913 1.00 0.00 O ATOM 752 CB MET A 48 3.770 10.322 -3.881 1.00 0.00 C ATOM 753 CG MET A 48 5.012 10.378 -2.985 1.00 0.00 C ATOM 754 SD MET A 48 6.373 11.158 -3.885 1.00 0.00 S ATOM 755 CE MET A 48 7.154 11.959 -2.462 1.00 0.00 C ATOM 0 H MET A 48 1.687 9.095 -4.506 1.00 0.00 H new ATOM 0 HA MET A 48 2.748 10.028 -2.001 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.777 9.409 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.774 11.158 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.793 10.940 -2.077 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.296 9.372 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.116 12.374 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.511 12.760 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.306 11.226 -1.670 1.00 0.00 H new ATOM 765 N PRO A 49 1.414 12.294 -4.003 1.00 0.00 N ATOM 766 CA PRO A 49 0.882 13.668 -4.060 1.00 0.00 C ATOM 767 C PRO A 49 -0.454 13.751 -3.315 1.00 0.00 C ATOM 768 O PRO A 49 -1.047 14.806 -3.200 1.00 0.00 O ATOM 769 CB PRO A 49 0.705 13.926 -5.557 1.00 0.00 C ATOM 770 CG PRO A 49 0.603 12.537 -6.232 1.00 0.00 C ATOM 771 CD PRO A 49 1.223 11.523 -5.250 1.00 0.00 C ATOM 0 HA PRO A 49 1.533 14.404 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.192 14.516 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.548 14.490 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.436 12.285 -6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.134 12.529 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.565 10.668 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.169 11.133 -5.625 1.00 0.00 H new ATOM 779 N ASP A 50 -0.925 12.648 -2.800 1.00 0.00 N ATOM 780 CA ASP A 50 -2.214 12.661 -2.053 1.00 0.00 C ATOM 781 C ASP A 50 -2.012 11.988 -0.694 1.00 0.00 C ATOM 782 O ASP A 50 -2.958 11.682 0.005 1.00 0.00 O ATOM 783 CB ASP A 50 -3.279 11.900 -2.846 1.00 0.00 C ATOM 784 CG ASP A 50 -4.619 12.629 -2.734 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.631 13.836 -2.902 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.611 11.966 -2.480 1.00 0.00 O ATOM 0 H ASP A 50 -0.471 11.737 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.542 13.691 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.982 11.822 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.374 10.883 -2.465 1.00 0.00 H new ATOM 791 N LEU A 51 -0.785 11.754 -0.315 1.00 0.00 N ATOM 792 CA LEU A 51 -0.520 11.098 0.996 1.00 0.00 C ATOM 793 C LEU A 51 0.337 12.022 1.867 1.00 0.00 C ATOM 794 O LEU A 51 1.007 12.907 1.374 1.00 0.00 O ATOM 795 CB LEU A 51 0.227 9.782 0.762 1.00 0.00 C ATOM 796 CG LEU A 51 0.536 9.122 2.107 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.772 8.784 2.822 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.334 7.837 1.870 1.00 0.00 C ATOM 0 H LEU A 51 0.046 11.989 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.465 10.898 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.376 9.114 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.152 9.969 0.216 1.00 0.00 H new ATOM 0 HG LEU A 51 1.120 9.806 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.552 8.314 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.342 9.698 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.356 8.099 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.556 7.365 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.749 7.154 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.267 8.077 1.359 1.00 0.00 H new ATOM 810 N ASN A 52 0.322 11.822 3.157 1.00 0.00 N ATOM 811 CA ASN A 52 1.137 12.688 4.055 1.00 0.00 C ATOM 812 C ASN A 52 2.535 12.084 4.217 1.00 0.00 C ATOM 813 O ASN A 52 3.150 12.183 5.259 1.00 0.00 O ATOM 814 CB ASN A 52 0.461 12.785 5.426 1.00 0.00 C ATOM 815 CG ASN A 52 0.186 11.379 5.964 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.690 10.691 5.477 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.901 10.919 6.954 1.00 0.00 N ATOM 0 H ASN A 52 -0.219 11.097 3.627 1.00 0.00 H new ATOM 0 HA ASN A 52 1.219 13.684 3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.100 13.332 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.472 13.343 5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.725 9.983 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.636 11.496 7.363 1.00 0.00 H new ATOM 824 N ALA A 53 3.042 11.461 3.186 1.00 0.00 N ATOM 825 CA ALA A 53 4.399 10.855 3.275 1.00 0.00 C ATOM 826 C ALA A 53 5.456 11.943 3.083 1.00 0.00 C ATOM 827 O ALA A 53 5.157 13.044 2.667 1.00 0.00 O ATOM 828 CB ALA A 53 4.556 9.798 2.179 1.00 0.00 C ATOM 0 H ALA A 53 2.574 11.347 2.287 1.00 0.00 H new ATOM 0 HA ALA A 53 4.527 10.391 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.549 9.353 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.802 9.022 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.429 10.265 1.202 1.00 0.00 H new ATOM 834 N ALA A 54 6.691 11.642 3.379 1.00 0.00 N ATOM 835 CA ALA A 54 7.767 12.659 3.208 1.00 0.00 C ATOM 836 C ALA A 54 8.694 12.226 2.070 1.00 0.00 C ATOM 837 O ALA A 54 9.492 12.998 1.573 1.00 0.00 O ATOM 838 CB ALA A 54 8.570 12.774 4.506 1.00 0.00 C ATOM 0 H ALA A 54 7.001 10.737 3.732 1.00 0.00 H new ATOM 0 HA ALA A 54 7.323 13.626 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.357 13.518 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.909 13.078 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.017 11.809 4.744 1.00 0.00 H new ATOM 844 N SER A 55 8.590 10.995 1.655 1.00 0.00 N ATOM 845 CA SER A 55 9.455 10.495 0.550 1.00 0.00 C ATOM 846 C SER A 55 9.193 9.000 0.362 1.00 0.00 C ATOM 847 O SER A 55 8.736 8.333 1.267 1.00 0.00 O ATOM 848 CB SER A 55 10.924 10.719 0.910 1.00 0.00 C ATOM 849 OG SER A 55 11.184 10.163 2.194 1.00 0.00 O ATOM 0 H SER A 55 7.939 10.309 2.036 1.00 0.00 H new ATOM 0 HA SER A 55 9.229 11.030 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.568 10.255 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.152 11.785 0.910 1.00 0.00 H new ATOM 0 HG SER A 55 12.125 10.304 2.427 1.00 0.00 H new ATOM 855 N ILE A 56 9.471 8.470 -0.799 1.00 0.00 N ATOM 856 CA ILE A 56 9.230 7.015 -1.026 1.00 0.00 C ATOM 857 C ILE A 56 9.684 6.233 0.208 1.00 0.00 C ATOM 858 O ILE A 56 8.946 5.450 0.768 1.00 0.00 O ATOM 859 CB ILE A 56 10.016 6.553 -2.260 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.258 6.965 -3.524 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.174 5.029 -2.241 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.716 8.354 -3.966 1.00 0.00 C ATOM 0 H ILE A 56 9.853 8.978 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 56 8.168 6.837 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 56 11.003 7.016 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.437 6.242 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.185 6.969 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.733 4.710 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.712 4.730 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.190 4.561 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.175 8.646 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.514 9.073 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.786 8.335 -4.175 1.00 0.00 H new ATOM 874 N GLU A 57 10.894 6.452 0.643 1.00 0.00 N ATOM 875 CA GLU A 57 11.394 5.735 1.846 1.00 0.00 C ATOM 876 C GLU A 57 10.423 5.961 3.010 1.00 0.00 C ATOM 877 O GLU A 57 9.952 5.028 3.631 1.00 0.00 O ATOM 878 CB GLU A 57 12.777 6.272 2.220 1.00 0.00 C ATOM 879 CG GLU A 57 13.251 5.609 3.512 1.00 0.00 C ATOM 880 CD GLU A 57 13.645 4.159 3.226 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.755 3.946 2.770 1.00 0.00 O ATOM 882 OE2 GLU A 57 12.826 3.287 3.467 1.00 0.00 O ATOM 0 H GLU A 57 11.558 7.098 0.216 1.00 0.00 H new ATOM 0 HA GLU A 57 11.466 4.668 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.485 6.073 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.736 7.354 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.101 6.154 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.460 5.641 4.261 1.00 0.00 H new ATOM 889 N ALA A 58 10.121 7.196 3.312 1.00 0.00 N ATOM 890 CA ALA A 58 9.183 7.482 4.434 1.00 0.00 C ATOM 891 C ALA A 58 7.785 6.969 4.082 1.00 0.00 C ATOM 892 O ALA A 58 7.092 6.411 4.910 1.00 0.00 O ATOM 893 CB ALA A 58 9.126 8.991 4.681 1.00 0.00 C ATOM 0 H ALA A 58 10.484 8.018 2.830 1.00 0.00 H new ATOM 0 HA ALA A 58 9.535 6.979 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.440 9.200 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.121 9.355 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.777 9.494 3.779 1.00 0.00 H new ATOM 899 N ALA A 59 7.363 7.150 2.860 1.00 0.00 N ATOM 900 CA ALA A 59 6.012 6.664 2.466 1.00 0.00 C ATOM 901 C ALA A 59 5.953 5.151 2.663 1.00 0.00 C ATOM 902 O ALA A 59 5.005 4.616 3.199 1.00 0.00 O ATOM 903 CB ALA A 59 5.750 7.001 0.994 1.00 0.00 C ATOM 0 H ALA A 59 7.893 7.611 2.121 1.00 0.00 H new ATOM 0 HA ALA A 59 5.254 7.147 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.760 6.644 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.800 8.081 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.503 6.519 0.371 1.00 0.00 H new ATOM 909 N MET A 60 6.970 4.467 2.232 1.00 0.00 N ATOM 910 CA MET A 60 7.007 2.984 2.383 1.00 0.00 C ATOM 911 C MET A 60 6.940 2.622 3.866 1.00 0.00 C ATOM 912 O MET A 60 6.408 1.597 4.240 1.00 0.00 O ATOM 913 CB MET A 60 8.309 2.444 1.787 1.00 0.00 C ATOM 914 CG MET A 60 8.443 0.958 2.121 1.00 0.00 C ATOM 915 SD MET A 60 10.011 0.671 2.978 1.00 0.00 S ATOM 916 CE MET A 60 10.930 0.016 1.563 1.00 0.00 C ATOM 0 H MET A 60 7.787 4.873 1.776 1.00 0.00 H new ATOM 0 HA MET A 60 6.157 2.544 1.861 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.314 2.587 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.160 2.996 2.185 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.610 0.639 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.401 0.364 1.208 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.847 -0.459 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.318 -0.718 1.040 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.180 0.830 0.883 1.00 0.00 H new ATOM 926 N ARG A 61 7.465 3.457 4.720 1.00 0.00 N ATOM 927 CA ARG A 61 7.412 3.148 6.174 1.00 0.00 C ATOM 928 C ARG A 61 5.948 3.115 6.614 1.00 0.00 C ATOM 929 O ARG A 61 5.448 2.106 7.070 1.00 0.00 O ATOM 930 CB ARG A 61 8.165 4.226 6.958 1.00 0.00 C ATOM 931 CG ARG A 61 9.284 3.576 7.775 1.00 0.00 C ATOM 932 CD ARG A 61 8.689 2.532 8.723 1.00 0.00 C ATOM 933 NE ARG A 61 9.198 1.180 8.356 1.00 0.00 N ATOM 934 CZ ARG A 61 8.871 0.143 9.078 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.728 0.119 9.706 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.688 -0.871 9.173 1.00 0.00 N ATOM 0 H ARG A 61 7.925 4.334 4.475 1.00 0.00 H new ATOM 0 HA ARG A 61 7.879 2.182 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.582 4.964 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.479 4.756 7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.008 3.106 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.820 4.335 8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.957 2.766 9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.601 2.551 8.665 1.00 0.00 H new ATOM 0 HE ARG A 61 9.801 1.065 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.089 0.911 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.473 -0.692 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.582 -0.853 8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.432 -1.681 9.737 1.00 0.00 H new ATOM 950 N MET A 62 5.253 4.209 6.465 1.00 0.00 N ATOM 951 CA MET A 62 3.817 4.239 6.857 1.00 0.00 C ATOM 952 C MET A 62 3.012 3.391 5.870 1.00 0.00 C ATOM 953 O MET A 62 1.998 2.815 6.210 1.00 0.00 O ATOM 954 CB MET A 62 3.308 5.681 6.816 1.00 0.00 C ATOM 955 CG MET A 62 3.228 6.241 8.237 1.00 0.00 C ATOM 956 SD MET A 62 2.030 7.596 8.281 1.00 0.00 S ATOM 957 CE MET A 62 3.055 8.836 7.451 1.00 0.00 C ATOM 0 H MET A 62 5.618 5.084 6.088 1.00 0.00 H new ATOM 0 HA MET A 62 3.703 3.842 7.866 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.974 6.295 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.326 5.717 6.345 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.932 5.456 8.933 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.208 6.597 8.556 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.044 9.762 8.026 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.079 8.469 7.374 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.661 9.025 6.452 1.00 0.00 H new ATOM 967 N ILE A 63 3.458 3.315 4.644 1.00 0.00 N ATOM 968 CA ILE A 63 2.726 2.512 3.624 1.00 0.00 C ATOM 969 C ILE A 63 2.926 1.019 3.903 1.00 0.00 C ATOM 970 O ILE A 63 1.983 0.256 3.945 1.00 0.00 O ATOM 971 CB ILE A 63 3.264 2.856 2.230 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.736 4.232 1.813 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.796 1.807 1.222 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.210 4.183 1.714 1.00 0.00 C ATOM 0 H ILE A 63 4.302 3.777 4.305 1.00 0.00 H new ATOM 0 HA ILE A 63 1.662 2.743 3.671 1.00 0.00 H new ATOM 0 HB ILE A 63 4.354 2.869 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.040 4.986 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.164 4.523 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.181 2.056 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.166 0.826 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.706 1.790 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.833 5.162 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.917 3.441 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.791 3.911 2.683 1.00 0.00 H new ATOM 986 N GLU A 64 4.146 0.596 4.094 1.00 0.00 N ATOM 987 CA GLU A 64 4.400 -0.846 4.371 1.00 0.00 C ATOM 988 C GLU A 64 3.674 -1.247 5.654 1.00 0.00 C ATOM 989 O GLU A 64 2.861 -2.151 5.660 1.00 0.00 O ATOM 990 CB GLU A 64 5.902 -1.084 4.537 1.00 0.00 C ATOM 991 CG GLU A 64 6.217 -2.556 4.269 1.00 0.00 C ATOM 992 CD GLU A 64 6.673 -3.227 5.567 1.00 0.00 C ATOM 993 OE1 GLU A 64 6.273 -2.763 6.621 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.415 -4.191 5.482 1.00 0.00 O ATOM 0 H GLU A 64 4.977 1.187 4.070 1.00 0.00 H new ATOM 0 HA GLU A 64 4.033 -1.446 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.460 -0.450 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.215 -0.812 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.335 -3.062 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.996 -2.640 3.511 1.00 0.00 H new ATOM 1001 N GLY A 65 3.953 -0.579 6.740 1.00 0.00 N ATOM 1002 CA GLY A 65 3.265 -0.923 8.015 1.00 0.00 C ATOM 1003 C GLY A 65 1.774 -1.099 7.737 1.00 0.00 C ATOM 1004 O GLY A 65 1.168 -2.077 8.131 1.00 0.00 O ATOM 0 H GLY A 65 4.625 0.186 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.682 -1.839 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.421 -0.136 8.753 1.00 0.00 H new ATOM 1008 N THR A 66 1.180 -0.164 7.047 1.00 0.00 N ATOM 1009 CA THR A 66 -0.270 -0.279 6.730 1.00 0.00 C ATOM 1010 C THR A 66 -0.530 -1.638 6.080 1.00 0.00 C ATOM 1011 O THR A 66 -1.440 -2.352 6.450 1.00 0.00 O ATOM 1012 CB THR A 66 -0.671 0.841 5.765 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.413 2.100 6.370 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.160 0.727 5.435 1.00 0.00 C ATOM 0 H THR A 66 1.637 0.675 6.689 1.00 0.00 H new ATOM 0 HA THR A 66 -0.858 -0.192 7.644 1.00 0.00 H new ATOM 0 HB THR A 66 -0.091 0.753 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.379 2.504 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.443 1.525 4.748 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.357 -0.239 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.743 0.814 6.352 1.00 0.00 H new ATOM 1022 N ALA A 67 0.270 -2.003 5.114 1.00 0.00 N ATOM 1023 CA ALA A 67 0.079 -3.318 4.441 1.00 0.00 C ATOM 1024 C ALA A 67 0.109 -4.433 5.487 1.00 0.00 C ATOM 1025 O ALA A 67 -0.621 -5.401 5.400 1.00 0.00 O ATOM 1026 CB ALA A 67 1.203 -3.548 3.431 1.00 0.00 C ATOM 0 H ALA A 67 1.048 -1.445 4.762 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.881 -3.321 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.060 -4.511 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.189 -2.755 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.163 -3.543 3.947 1.00 0.00 H new ATOM 1032 N ARG A 68 0.951 -4.307 6.477 1.00 0.00 N ATOM 1033 CA ARG A 68 1.028 -5.362 7.525 1.00 0.00 C ATOM 1034 C ARG A 68 -0.350 -5.535 8.162 1.00 0.00 C ATOM 1035 O ARG A 68 -0.666 -6.575 8.707 1.00 0.00 O ATOM 1036 CB ARG A 68 2.041 -4.950 8.594 1.00 0.00 C ATOM 1037 CG ARG A 68 2.139 -6.049 9.653 1.00 0.00 C ATOM 1038 CD ARG A 68 2.274 -5.416 11.040 1.00 0.00 C ATOM 1039 NE ARG A 68 3.505 -5.931 11.704 1.00 0.00 N ATOM 1040 CZ ARG A 68 3.426 -6.937 12.532 1.00 0.00 C ATOM 1041 NH1 ARG A 68 3.111 -6.728 13.781 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.662 -8.150 12.111 1.00 0.00 N ATOM 0 H ARG A 68 1.587 -3.520 6.604 1.00 0.00 H new ATOM 0 HA ARG A 68 1.345 -6.303 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.017 -4.780 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.737 -4.011 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.253 -6.683 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.998 -6.689 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.322 -4.331 10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.397 -5.649 11.645 1.00 0.00 H new ATOM 0 HE ARG A 68 4.408 -5.498 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.927 -5.780 14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.049 -7.513 14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.908 -8.312 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.600 -8.936 12.759 1.00 0.00 H new ATOM 1056 N SER A 69 -1.175 -4.528 8.091 1.00 0.00 N ATOM 1057 CA SER A 69 -2.537 -4.639 8.680 1.00 0.00 C ATOM 1058 C SER A 69 -3.402 -5.504 7.762 1.00 0.00 C ATOM 1059 O SER A 69 -4.512 -5.870 8.096 1.00 0.00 O ATOM 1060 CB SER A 69 -3.154 -3.244 8.810 1.00 0.00 C ATOM 1061 OG SER A 69 -3.791 -3.130 10.076 1.00 0.00 O ATOM 0 H SER A 69 -0.964 -3.633 7.650 1.00 0.00 H new ATOM 0 HA SER A 69 -2.479 -5.095 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.382 -2.481 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.875 -3.077 8.010 1.00 0.00 H new ATOM 0 HG SER A 69 -4.186 -2.238 10.164 1.00 0.00 H new ATOM 1067 N MET A 70 -2.895 -5.838 6.605 1.00 0.00 N ATOM 1068 CA MET A 70 -3.673 -6.684 5.660 1.00 0.00 C ATOM 1069 C MET A 70 -2.923 -7.990 5.420 1.00 0.00 C ATOM 1070 O MET A 70 -3.486 -9.066 5.484 1.00 0.00 O ATOM 1071 CB MET A 70 -3.821 -5.955 4.327 1.00 0.00 C ATOM 1072 CG MET A 70 -4.779 -4.774 4.491 1.00 0.00 C ATOM 1073 SD MET A 70 -6.487 -5.355 4.333 1.00 0.00 S ATOM 1074 CE MET A 70 -6.558 -5.353 2.526 1.00 0.00 C ATOM 0 H MET A 70 -1.971 -5.559 6.275 1.00 0.00 H new ATOM 0 HA MET A 70 -4.656 -6.887 6.084 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.848 -5.602 3.984 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.198 -6.639 3.567 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.632 -4.305 5.464 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.570 -4.015 3.737 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.559 -5.067 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.832 -4.641 2.134 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.326 -6.350 2.152 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.651 -7.907 5.143 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.867 -9.146 4.899 1.00 0.00 C ATOM 1086 C GLY A 71 0.126 -8.939 3.747 1.00 0.00 C ATOM 1087 O GLY A 71 0.834 -9.849 3.364 1.00 0.00 O ATOM 0 H GLY A 71 -1.123 -7.037 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.329 -9.426 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.541 -9.969 4.662 1.00 0.00 H new ATOM 1091 N ILE A 72 0.192 -7.758 3.191 1.00 0.00 N ATOM 1092 CA ILE A 72 1.144 -7.520 2.068 1.00 0.00 C ATOM 1093 C ILE A 72 2.517 -7.141 2.628 1.00 0.00 C ATOM 1094 O ILE A 72 2.846 -5.981 2.764 1.00 0.00 O ATOM 1095 CB ILE A 72 0.626 -6.382 1.188 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.849 -6.624 0.862 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.434 -6.337 -0.112 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.699 -5.519 1.493 1.00 0.00 C ATOM 0 H ILE A 72 -0.370 -6.952 3.465 1.00 0.00 H new ATOM 0 HA ILE A 72 1.231 -8.430 1.474 1.00 0.00 H new ATOM 0 HB ILE A 72 0.732 -5.434 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.996 -6.639 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.161 -7.598 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.066 -5.526 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.486 -6.169 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.326 -7.284 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.750 -5.691 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.560 -5.526 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.393 -4.552 1.094 1.00 0.00 H new ATOM 1110 N VAL A 73 3.319 -8.115 2.955 1.00 0.00 N ATOM 1111 CA VAL A 73 4.670 -7.821 3.508 1.00 0.00 C ATOM 1112 C VAL A 73 5.568 -7.256 2.408 1.00 0.00 C ATOM 1113 O VAL A 73 5.234 -7.284 1.241 1.00 0.00 O ATOM 1114 CB VAL A 73 5.282 -9.112 4.050 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.566 -8.790 4.817 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.283 -9.786 4.989 1.00 0.00 C ATOM 0 H VAL A 73 3.096 -9.106 2.863 1.00 0.00 H new ATOM 0 HA VAL A 73 4.582 -7.088 4.310 1.00 0.00 H new ATOM 0 HB VAL A 73 5.516 -9.780 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.001 -9.712 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.277 -8.305 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.336 -8.122 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.715 -10.708 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.052 -9.115 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.368 -10.016 4.443 1.00 0.00 H new ATOM 1126 N VAL A 74 6.712 -6.747 2.777 1.00 0.00 N ATOM 1127 CA VAL A 74 7.644 -6.179 1.762 1.00 0.00 C ATOM 1128 C VAL A 74 9.085 -6.495 2.169 1.00 0.00 C ATOM 1129 O VAL A 74 9.473 -6.316 3.306 1.00 0.00 O ATOM 1130 CB VAL A 74 7.465 -4.661 1.684 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.467 -4.077 0.686 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.045 -4.330 1.222 1.00 0.00 C ATOM 0 H VAL A 74 7.042 -6.700 3.741 1.00 0.00 H new ATOM 0 HA VAL A 74 7.427 -6.618 0.788 1.00 0.00 H new ATOM 0 HB VAL A 74 7.636 -4.231 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.338 -2.996 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.481 -4.306 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.296 -4.513 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.923 -3.248 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.872 -4.764 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.327 -4.741 1.931 1.00 0.00 H new ATOM 1142 N GLU A 75 9.878 -6.962 1.247 1.00 0.00 N ATOM 1143 CA GLU A 75 11.293 -7.291 1.577 1.00 0.00 C ATOM 1144 C GLU A 75 12.218 -6.683 0.519 1.00 0.00 C ATOM 1145 O GLU A 75 12.305 -7.168 -0.592 1.00 0.00 O ATOM 1146 CB GLU A 75 11.475 -8.810 1.600 1.00 0.00 C ATOM 1147 CG GLU A 75 12.058 -9.237 2.949 1.00 0.00 C ATOM 1148 CD GLU A 75 11.561 -10.641 3.300 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.424 -10.943 2.981 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.327 -11.390 3.883 1.00 0.00 O ATOM 0 H GLU A 75 9.608 -7.131 0.278 1.00 0.00 H new ATOM 0 HA GLU A 75 11.541 -6.882 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.518 -9.304 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.138 -9.119 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.147 -9.226 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.762 -8.531 3.725 1.00 0.00 H new ATOM 1157 N ASP A 76 12.910 -5.630 0.860 1.00 0.00 N ATOM 1158 CA ASP A 76 13.831 -4.985 -0.119 1.00 0.00 C ATOM 1159 C ASP A 76 13.169 -4.942 -1.498 1.00 0.00 C ATOM 1160 O ASP A 76 13.891 -4.830 -2.477 1.00 0.00 O ATOM 1161 CB ASP A 76 15.131 -5.789 -0.205 1.00 0.00 C ATOM 1162 CG ASP A 76 16.327 -4.838 -0.150 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.106 -3.640 -0.087 1.00 0.00 O ATOM 1164 OD2 ASP A 76 17.446 -5.323 -0.174 1.00 0.00 O ATOM 1165 OXT ASP A 76 11.954 -5.021 -1.552 1.00 0.00 O ATOM 0 H ASP A 76 12.877 -5.187 1.778 1.00 0.00 H new ATOM 0 HA ASP A 76 14.051 -3.969 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.184 -6.503 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.154 -6.365 -1.130 1.00 0.00 H new