USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 37 ASN :FLIP amide:sc= 0.918 F(o=1.2,f=2.1) USER MOD Set 1.2: A 42 THR OG1 : rot 83:sc= 1.18 USER MOD Set 2.1: A 19 ASN : amide:sc= 1.06 K(o=3,f=-5.9) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 163:sc= 1.97 (180deg=0.69) USER MOD Single : A 2 THR OG1 : rot -35:sc= 0.361 USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 1.18 (180deg=0.983) USER MOD Single : A 26 ASN : amide:sc= 0.863 K(o=0.86,f=-0.022) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.844 K(o=0.84,f=-0.56) USER MOD Single : A 44 THR OG1 : rot -35:sc= 0.851 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0904 USER MOD Single : A 48 ASN : amide:sc= 0.222 K(o=0.22,f=-9.3!) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= 0.777 (180deg=-0.434) USER MOD Single : A 53 SER OG : rot -58:sc= 0.31 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0.511 (180deg=0.424) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 57:sc= -1.01 USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= 1.11 (180deg=0.837) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= -0.559! (180deg=-0.836!) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.427 9.666 8.055 1.00 10.00 N ATOM 20 CA THR A 2 -7.309 9.243 7.232 1.00 10.00 C ATOM 21 C THR A 2 -7.598 9.706 5.799 1.00 10.00 C ATOM 22 O THR A 2 -8.731 10.085 5.504 1.00 10.00 O ATOM 23 CB THR A 2 -7.187 7.713 7.303 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.468 7.123 7.268 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.468 7.219 8.561 1.00 10.00 C ATOM 0 HA THR A 2 -6.368 9.673 7.576 1.00 10.00 H new ATOM 0 HB THR A 2 -6.591 7.420 6.439 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.106 7.697 7.741 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.417 6.130 8.547 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.459 7.629 8.588 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.016 7.545 9.445 1.00 10.00 H new ATOM 33 N GLU A 3 -6.579 9.681 4.937 1.00 10.00 N ATOM 34 CA GLU A 3 -6.627 10.063 3.535 1.00 10.00 C ATOM 35 C GLU A 3 -6.515 8.829 2.647 1.00 10.00 C ATOM 36 O GLU A 3 -5.775 7.896 2.964 1.00 10.00 O ATOM 37 CB GLU A 3 -5.454 11.007 3.244 1.00 10.00 C ATOM 38 CG GLU A 3 -5.888 12.449 3.489 1.00 10.00 C ATOM 39 CD GLU A 3 -4.706 13.334 3.849 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.913 13.630 2.931 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.597 13.664 5.050 1.00 10.00 O ATOM 0 H GLU A 3 -5.648 9.375 5.221 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.575 10.560 3.326 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.606 10.758 3.882 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.123 10.886 2.212 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.377 12.839 2.597 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.623 12.477 4.293 1.00 10.00 H new ATOM 48 N LYS A 4 -7.231 8.863 1.520 1.00 10.00 N ATOM 49 CA LYS A 4 -7.177 7.856 0.476 1.00 10.00 C ATOM 50 C LYS A 4 -6.077 8.206 -0.524 1.00 10.00 C ATOM 51 O LYS A 4 -6.204 9.180 -1.261 1.00 10.00 O ATOM 52 CB LYS A 4 -8.529 7.778 -0.250 1.00 10.00 C ATOM 53 CG LYS A 4 -9.508 6.783 0.386 1.00 10.00 C ATOM 54 CD LYS A 4 -8.959 5.344 0.305 1.00 10.00 C ATOM 55 CE LYS A 4 -10.073 4.292 0.157 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.392 3.603 1.416 1.00 10.00 N ATOM 0 H LYS A 4 -7.882 9.619 1.310 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.959 6.889 0.929 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.985 8.768 -0.260 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.359 7.495 -1.289 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.681 7.052 1.428 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.471 6.839 -0.122 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.277 5.267 -0.542 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.379 5.129 1.203 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.973 4.776 -0.222 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -9.771 3.554 -0.586 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.136 2.897 1.246 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.540 3.128 1.778 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.726 4.296 2.116 1.00 10.00 H new ATOM 70 N ALA A 5 -5.035 7.376 -0.581 1.00 10.00 N ATOM 71 CA ALA A 5 -3.983 7.431 -1.593 1.00 10.00 C ATOM 72 C ALA A 5 -3.981 6.149 -2.436 1.00 10.00 C ATOM 73 O ALA A 5 -4.325 5.082 -1.923 1.00 10.00 O ATOM 74 CB ALA A 5 -2.634 7.640 -0.901 1.00 10.00 C ATOM 0 H ALA A 5 -4.897 6.626 0.096 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.167 8.266 -2.268 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.843 7.682 -1.650 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.653 8.575 -0.341 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.443 6.812 -0.218 1.00 10.00 H new ATOM 80 N GLU A 6 -3.572 6.245 -3.710 1.00 10.00 N ATOM 81 CA GLU A 6 -3.334 5.103 -4.594 1.00 10.00 C ATOM 82 C GLU A 6 -1.879 5.026 -5.021 1.00 10.00 C ATOM 83 O GLU A 6 -1.220 6.059 -5.150 1.00 10.00 O ATOM 84 CB GLU A 6 -4.176 5.184 -5.871 1.00 10.00 C ATOM 85 CG GLU A 6 -5.471 4.382 -5.745 1.00 10.00 C ATOM 86 CD GLU A 6 -5.644 3.377 -6.876 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.364 3.743 -8.042 1.00 10.00 O ATOM 88 OE2 GLU A 6 -6.017 2.236 -6.528 1.00 10.00 O ATOM 0 H GLU A 6 -3.394 7.142 -4.161 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.611 4.220 -4.018 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.413 6.226 -6.086 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.596 4.809 -6.714 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.478 3.855 -4.791 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.320 5.066 -5.738 1.00 10.00 H new ATOM 95 N PHE A 7 -1.419 3.800 -5.288 1.00 10.00 N ATOM 96 CA PHE A 7 -0.039 3.492 -5.617 1.00 10.00 C ATOM 97 C PHE A 7 0.016 2.424 -6.709 1.00 10.00 C ATOM 98 O PHE A 7 -0.737 1.450 -6.650 1.00 10.00 O ATOM 99 CB PHE A 7 0.727 3.028 -4.365 1.00 10.00 C ATOM 100 CG PHE A 7 0.459 3.786 -3.085 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.764 3.599 -2.425 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.439 4.614 -2.512 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.108 4.426 -1.348 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.136 5.349 -1.354 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.150 5.289 -0.796 1.00 10.00 C ATOM 0 H PHE A 7 -2.020 2.976 -5.279 1.00 10.00 H new ATOM 0 HA PHE A 7 0.440 4.397 -5.991 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.494 1.977 -4.193 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.794 3.087 -4.578 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.439 2.819 -2.746 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.419 4.685 -2.959 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.109 4.399 -0.943 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.895 5.962 -0.892 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.401 5.905 0.055 1.00 10.00 H new ATOM 115 N ASP A 8 0.911 2.607 -7.685 1.00 10.00 N ATOM 116 CA ASP A 8 1.075 1.748 -8.836 1.00 10.00 C ATOM 117 C ASP A 8 2.179 0.733 -8.549 1.00 10.00 C ATOM 118 O ASP A 8 3.182 1.070 -7.912 1.00 10.00 O ATOM 119 CB ASP A 8 1.430 2.638 -10.025 1.00 10.00 C ATOM 120 CG ASP A 8 0.187 3.241 -10.655 1.00 10.00 C ATOM 121 OD1 ASP A 8 -0.646 2.517 -11.234 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.030 4.460 -10.528 1.00 10.00 O ATOM 0 H ASP A 8 1.562 3.393 -7.684 1.00 10.00 H new ATOM 0 HA ASP A 8 0.163 1.193 -9.059 1.00 10.00 H new ATOM 0 HB2 ASP A 8 2.098 3.435 -9.698 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.971 2.054 -10.770 1.00 10.00 H new ATOM 127 N ILE A 9 1.945 -0.524 -8.943 1.00 10.00 N ATOM 128 CA ILE A 9 2.699 -1.688 -8.501 1.00 10.00 C ATOM 129 C ILE A 9 3.559 -2.235 -9.637 1.00 10.00 C ATOM 130 O ILE A 9 3.054 -2.446 -10.737 1.00 10.00 O ATOM 131 CB ILE A 9 1.716 -2.775 -8.017 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.532 -2.224 -7.207 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.454 -3.805 -7.164 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.982 -1.323 -6.067 1.00 10.00 C ATOM 0 H ILE A 9 1.201 -0.760 -9.599 1.00 10.00 H new ATOM 0 HA ILE A 9 3.358 -1.395 -7.683 1.00 10.00 H new ATOM 0 HB ILE A 9 1.307 -3.229 -8.920 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.130 -1.666 -7.869 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.047 -3.055 -6.804 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.752 -4.568 -6.827 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.241 -4.272 -7.757 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.896 -3.311 -6.299 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.109 -0.959 -5.525 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.622 -1.887 -5.388 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.538 -0.476 -6.470 1.00 10.00 H new ATOM 146 N GLU A 10 4.836 -2.508 -9.357 1.00 10.00 N ATOM 147 CA GLU A 10 5.746 -3.163 -10.279 1.00 10.00 C ATOM 148 C GLU A 10 6.271 -4.437 -9.615 1.00 10.00 C ATOM 149 O GLU A 10 7.315 -4.406 -8.961 1.00 10.00 O ATOM 150 CB GLU A 10 6.877 -2.185 -10.602 1.00 10.00 C ATOM 151 CG GLU A 10 6.395 -1.024 -11.483 1.00 10.00 C ATOM 152 CD GLU A 10 7.415 0.099 -11.488 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.464 0.805 -10.456 1.00 10.00 O ATOM 154 OE2 GLU A 10 8.161 0.233 -12.479 1.00 10.00 O ATOM 0 H GLU A 10 5.268 -2.272 -8.463 1.00 10.00 H new ATOM 0 HA GLU A 10 5.252 -3.442 -11.210 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.291 -1.789 -9.674 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.682 -2.716 -11.110 1.00 10.00 H new ATOM 0 HG2 GLU A 10 6.229 -1.377 -12.501 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.439 -0.653 -11.114 1.00 10.00 H new ATOM 251 N ASN A 19 -3.019 -9.833 -0.253 1.00 10.00 N ATOM 252 CA ASN A 19 -3.289 -10.128 1.152 1.00 10.00 C ATOM 253 C ASN A 19 -2.100 -9.788 2.061 1.00 10.00 C ATOM 254 O ASN A 19 -2.290 -9.370 3.200 1.00 10.00 O ATOM 255 CB ASN A 19 -3.738 -11.592 1.310 1.00 10.00 C ATOM 256 CG ASN A 19 -3.126 -12.281 2.526 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.680 -12.237 3.622 1.00 10.00 O ATOM 258 ND2 ASN A 19 -1.962 -12.898 2.348 1.00 10.00 N ATOM 0 HA ASN A 19 -4.105 -9.483 1.478 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.825 -11.625 1.390 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.468 -12.147 0.412 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -1.501 -13.354 3.135 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -1.530 -12.915 1.424 1.00 10.00 H new ATOM 265 N ARG A 20 -0.872 -10.006 1.592 1.00 10.00 N ATOM 266 CA ARG A 20 0.329 -9.733 2.358 1.00 10.00 C ATOM 267 C ARG A 20 0.551 -8.221 2.428 1.00 10.00 C ATOM 268 O ARG A 20 0.762 -7.694 3.523 1.00 10.00 O ATOM 269 CB ARG A 20 1.512 -10.510 1.757 1.00 10.00 C ATOM 270 CG ARG A 20 2.492 -10.978 2.843 1.00 10.00 C ATOM 271 CD ARG A 20 3.442 -12.047 2.288 1.00 10.00 C ATOM 272 NE ARG A 20 4.203 -12.688 3.374 1.00 10.00 N ATOM 273 CZ ARG A 20 4.729 -13.925 3.333 1.00 10.00 C ATOM 274 NH1 ARG A 20 4.711 -14.625 2.193 1.00 10.00 N ATOM 275 NH2 ARG A 20 5.268 -14.458 4.436 1.00 10.00 N ATOM 0 H ARG A 20 -0.688 -10.380 0.661 1.00 10.00 H new ATOM 0 HA ARG A 20 0.227 -10.080 3.386 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.139 -11.374 1.207 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.037 -9.878 1.041 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.067 -10.129 3.212 1.00 10.00 H new ATOM 0 HG3 ARG A 20 1.938 -11.381 3.691 1.00 10.00 H new ATOM 0 HD2 ARG A 20 2.871 -12.800 1.745 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.130 -11.593 1.575 1.00 10.00 H new ATOM 0 HE ARG A 20 4.343 -12.149 4.228 1.00 10.00 H new ATOM 0 HH11 ARG A 20 4.298 -14.221 1.353 1.00 10.00 H new ATOM 0 HH12 ARG A 20 5.111 -15.563 2.164 1.00 10.00 H new ATOM 0 HH21 ARG A 20 5.279 -13.926 5.306 1.00 10.00 H new ATOM 0 HH22 ARG A 20 5.667 -15.396 4.406 1.00 10.00 H new ATOM 289 N ILE A 21 0.461 -7.527 1.282 1.00 10.00 N ATOM 290 CA ILE A 21 0.463 -6.061 1.231 1.00 10.00 C ATOM 291 C ILE A 21 -0.414 -5.478 2.342 1.00 10.00 C ATOM 292 O ILE A 21 0.069 -4.645 3.109 1.00 10.00 O ATOM 293 CB ILE A 21 0.016 -5.491 -0.135 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.557 -6.307 -1.310 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.415 -4.015 -0.213 1.00 10.00 C ATOM 296 CD1 ILE A 21 0.467 -5.638 -2.688 1.00 10.00 C ATOM 0 H ILE A 21 0.385 -7.969 0.366 1.00 10.00 H new ATOM 0 HA ILE A 21 1.500 -5.761 1.379 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.069 -5.565 -0.212 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.602 -6.546 -1.111 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.016 -7.252 -1.350 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.104 -3.604 -1.173 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.071 -3.464 0.592 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.497 -3.925 -0.113 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.879 -6.306 -3.444 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.576 -5.425 -2.921 1.00 10.00 H new ATOM 0 HD13 ILE A 21 1.034 -4.707 -2.678 1.00 10.00 H new ATOM 308 N GLU A 22 -1.674 -5.932 2.438 1.00 10.00 N ATOM 309 CA GLU A 22 -2.613 -5.466 3.457 1.00 10.00 C ATOM 310 C GLU A 22 -1.932 -5.356 4.821 1.00 10.00 C ATOM 311 O GLU A 22 -1.915 -4.292 5.424 1.00 10.00 O ATOM 312 CB GLU A 22 -3.793 -6.427 3.631 1.00 10.00 C ATOM 313 CG GLU A 22 -4.680 -6.661 2.408 1.00 10.00 C ATOM 314 CD GLU A 22 -5.739 -7.715 2.719 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.426 -8.603 3.547 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.832 -7.625 2.127 1.00 10.00 O ATOM 0 H GLU A 22 -2.065 -6.633 1.808 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.966 -4.494 3.113 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.401 -7.391 3.955 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.421 -6.051 4.439 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.161 -5.728 2.114 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.071 -6.985 1.564 1.00 10.00 H new ATOM 323 N LYS A 23 -1.383 -6.470 5.315 1.00 10.00 N ATOM 324 CA LYS A 23 -0.813 -6.569 6.646 1.00 10.00 C ATOM 325 C LYS A 23 0.483 -5.760 6.718 1.00 10.00 C ATOM 326 O LYS A 23 0.744 -5.084 7.716 1.00 10.00 O ATOM 327 CB LYS A 23 -0.602 -8.049 7.009 1.00 10.00 C ATOM 328 CG LYS A 23 -1.786 -8.635 7.799 1.00 10.00 C ATOM 329 CD LYS A 23 -3.096 -8.782 7.003 1.00 10.00 C ATOM 330 CE LYS A 23 -3.067 -10.030 6.106 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.238 -10.123 5.208 1.00 10.00 N ATOM 0 H LYS A 23 -1.325 -7.340 4.785 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.498 -6.146 7.381 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.456 -8.627 6.096 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.309 -8.149 7.598 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.499 -9.615 8.180 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.975 -8.000 8.664 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.938 -8.846 7.692 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.253 -7.894 6.390 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.157 -10.019 5.507 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.025 -10.921 6.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.037 -10.799 4.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.065 -10.448 5.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.437 -9.188 4.799 1.00 10.00 H new ATOM 345 N ARG A 24 1.287 -5.811 5.652 1.00 10.00 N ATOM 346 CA ARG A 24 2.504 -5.019 5.546 1.00 10.00 C ATOM 347 C ARG A 24 2.200 -3.533 5.740 1.00 10.00 C ATOM 348 O ARG A 24 3.001 -2.820 6.332 1.00 10.00 O ATOM 349 CB ARG A 24 3.197 -5.268 4.198 1.00 10.00 C ATOM 350 CG ARG A 24 4.705 -5.484 4.371 1.00 10.00 C ATOM 351 CD ARG A 24 5.044 -6.878 4.928 1.00 10.00 C ATOM 352 NE ARG A 24 5.345 -6.855 6.369 1.00 10.00 N ATOM 353 CZ ARG A 24 6.481 -6.372 6.900 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.376 -5.761 6.113 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.716 -6.504 8.210 1.00 10.00 N ATOM 0 H ARG A 24 1.108 -6.404 4.842 1.00 10.00 H new ATOM 0 HA ARG A 24 3.186 -5.329 6.338 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.756 -6.141 3.717 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.024 -4.419 3.537 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.200 -5.351 3.409 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.103 -4.722 5.042 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.206 -7.551 4.746 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.900 -7.282 4.388 1.00 10.00 H new ATOM 0 HE ARG A 24 4.644 -7.231 7.007 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.194 -5.664 5.114 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.239 -5.393 6.513 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.033 -6.971 8.806 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.578 -6.137 8.613 1.00 10.00 H new ATOM 369 N LEU A 25 1.050 -3.076 5.244 1.00 10.00 N ATOM 370 CA LEU A 25 0.556 -1.728 5.471 1.00 10.00 C ATOM 371 C LEU A 25 -0.165 -1.585 6.815 1.00 10.00 C ATOM 372 O LEU A 25 -0.040 -0.565 7.476 1.00 10.00 O ATOM 373 CB LEU A 25 -0.350 -1.326 4.307 1.00 10.00 C ATOM 374 CG LEU A 25 0.438 -0.545 3.236 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.301 -1.197 1.863 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.110 0.876 3.167 1.00 10.00 C ATOM 0 H LEU A 25 0.431 -3.644 4.666 1.00 10.00 H new ATOM 0 HA LEU A 25 1.411 -1.053 5.518 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.791 -2.217 3.861 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.173 -0.714 4.677 1.00 10.00 H new ATOM 0 HG LEU A 25 1.493 -0.543 3.511 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.868 -0.623 1.130 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.687 -2.216 1.904 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.750 -1.219 1.574 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.438 1.441 2.413 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.167 0.846 2.901 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.006 1.358 4.138 1.00 10.00 H new ATOM 388 N ASN A 26 -0.907 -2.594 7.258 1.00 10.00 N ATOM 389 CA ASN A 26 -1.624 -2.566 8.534 1.00 10.00 C ATOM 390 C ASN A 26 -0.638 -2.318 9.678 1.00 10.00 C ATOM 391 O ASN A 26 -1.011 -1.811 10.732 1.00 10.00 O ATOM 392 CB ASN A 26 -2.391 -3.879 8.750 1.00 10.00 C ATOM 393 CG ASN A 26 -3.569 -3.792 9.724 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.561 -4.487 9.532 1.00 10.00 O ATOM 395 ND2 ASN A 26 -3.505 -2.982 10.776 1.00 10.00 N ATOM 0 H ASN A 26 -1.031 -3.463 6.739 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.349 -1.752 8.515 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.762 -4.227 7.786 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.693 -4.633 9.115 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.285 -2.935 11.432 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -2.676 -2.408 10.928 1.00 10.00 H new ATOM 402 N LYS A 27 0.627 -2.690 9.472 1.00 10.00 N ATOM 403 CA LYS A 27 1.718 -2.317 10.354 1.00 10.00 C ATOM 404 C LYS A 27 1.809 -0.818 10.645 1.00 10.00 C ATOM 405 O LYS A 27 2.166 -0.458 11.765 1.00 10.00 O ATOM 406 CB LYS A 27 3.038 -2.812 9.760 1.00 10.00 C ATOM 407 CG LYS A 27 3.356 -4.274 10.085 1.00 10.00 C ATOM 408 CD LYS A 27 3.424 -4.471 11.608 1.00 10.00 C ATOM 409 CE LYS A 27 2.173 -5.205 12.123 1.00 10.00 C ATOM 410 NZ LYS A 27 1.909 -4.904 13.548 1.00 10.00 N ATOM 0 H LYS A 27 0.918 -3.263 8.680 1.00 10.00 H new ATOM 0 HA LYS A 27 1.515 -2.793 11.313 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.006 -2.689 8.677 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.849 -2.184 10.128 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.592 -4.924 9.660 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.305 -4.558 9.630 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.317 -5.041 11.866 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.511 -3.503 12.101 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.309 -4.916 11.524 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.304 -6.280 11.996 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.059 -5.416 13.859 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.723 -5.203 14.122 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.759 -3.881 13.665 1.00 10.00 H new ATOM 424 N ILE A 28 1.553 0.045 9.661 1.00 10.00 N ATOM 425 CA ILE A 28 1.596 1.484 9.864 1.00 10.00 C ATOM 426 C ILE A 28 0.628 1.864 10.983 1.00 10.00 C ATOM 427 O ILE A 28 -0.539 1.483 10.947 1.00 10.00 O ATOM 428 CB ILE A 28 1.218 2.187 8.553 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.318 1.986 7.496 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.942 3.676 8.762 1.00 10.00 C ATOM 431 CD1 ILE A 28 1.675 1.877 6.125 1.00 10.00 C ATOM 0 H ILE A 28 1.312 -0.236 8.710 1.00 10.00 H new ATOM 0 HA ILE A 28 2.600 1.796 10.152 1.00 10.00 H new ATOM 0 HB ILE A 28 0.295 1.731 8.194 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.018 2.821 7.518 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.891 1.085 7.716 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.678 4.134 7.809 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.117 3.798 9.464 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.834 4.159 9.162 1.00 10.00 H new ATOM 0 HD11 ILE A 28 2.449 1.734 5.371 1.00 10.00 H new ATOM 0 HD12 ILE A 28 0.992 1.027 6.110 1.00 10.00 H new ATOM 0 HD13 ILE A 28 1.122 2.791 5.909 1.00 10.00 H new ATOM 443 N GLU A 29 1.098 2.633 11.966 1.00 10.00 N ATOM 444 CA GLU A 29 0.245 3.040 13.070 1.00 10.00 C ATOM 445 C GLU A 29 -0.892 3.944 12.581 1.00 10.00 C ATOM 446 O GLU A 29 -2.058 3.695 12.882 1.00 10.00 O ATOM 447 CB GLU A 29 1.081 3.698 14.173 1.00 10.00 C ATOM 448 CG GLU A 29 2.107 2.704 14.748 1.00 10.00 C ATOM 449 CD GLU A 29 1.900 2.458 16.238 1.00 10.00 C ATOM 450 OE1 GLU A 29 0.772 2.052 16.593 1.00 10.00 O ATOM 451 OE2 GLU A 29 2.873 2.672 16.992 1.00 10.00 O ATOM 0 H GLU A 29 2.056 2.981 12.016 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.223 2.154 13.500 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.598 4.570 13.773 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.426 4.053 14.969 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.033 1.758 14.212 1.00 10.00 H new ATOM 0 HG3 GLU A 29 3.114 3.087 14.581 1.00 10.00 H new ATOM 458 N GLY A 30 -0.590 4.985 11.795 1.00 10.00 N ATOM 459 CA GLY A 30 -1.592 5.949 11.377 1.00 10.00 C ATOM 460 C GLY A 30 -2.375 5.452 10.167 1.00 10.00 C ATOM 461 O GLY A 30 -2.556 6.196 9.206 1.00 10.00 O ATOM 0 H GLY A 30 0.347 5.174 11.439 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.278 6.143 12.201 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.109 6.896 11.135 1.00 10.00 H new ATOM 465 N VAL A 31 -2.825 4.200 10.195 1.00 10.00 N ATOM 466 CA VAL A 31 -3.541 3.561 9.114 1.00 10.00 C ATOM 467 C VAL A 31 -5.012 3.436 9.498 1.00 10.00 C ATOM 468 O VAL A 31 -5.341 3.358 10.681 1.00 10.00 O ATOM 469 CB VAL A 31 -2.876 2.206 8.837 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.337 1.090 9.783 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.063 1.805 7.380 1.00 10.00 C ATOM 0 H VAL A 31 -2.693 3.589 11.001 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.501 4.147 8.196 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.813 2.340 9.035 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.825 0.162 9.528 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.100 1.364 10.811 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.413 0.950 9.683 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.585 0.842 7.203 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.127 1.728 7.158 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.611 2.558 6.734 1.00 10.00 H new ATOM 481 N ALA A 32 -5.896 3.406 8.500 1.00 10.00 N ATOM 482 CA ALA A 32 -7.294 3.051 8.681 1.00 10.00 C ATOM 483 C ALA A 32 -7.580 1.760 7.923 1.00 10.00 C ATOM 484 O ALA A 32 -8.111 0.818 8.504 1.00 10.00 O ATOM 485 CB ALA A 32 -8.196 4.197 8.226 1.00 10.00 C ATOM 0 H ALA A 32 -5.654 3.631 7.535 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.505 2.882 9.737 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.240 3.917 8.367 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.977 5.088 8.814 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.016 4.405 7.171 1.00 10.00 H new ATOM 491 N ASN A 33 -7.227 1.699 6.634 1.00 10.00 N ATOM 492 CA ASN A 33 -7.516 0.543 5.797 1.00 10.00 C ATOM 493 C ASN A 33 -6.458 0.438 4.702 1.00 10.00 C ATOM 494 O ASN A 33 -5.824 1.432 4.359 1.00 10.00 O ATOM 495 CB ASN A 33 -8.903 0.680 5.151 1.00 10.00 C ATOM 496 CG ASN A 33 -10.057 0.711 6.144 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.467 -0.328 6.650 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.627 1.884 6.396 1.00 10.00 N ATOM 0 H ASN A 33 -6.735 2.450 6.149 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.504 -0.353 6.417 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.926 1.594 4.557 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.054 -0.151 4.462 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.428 1.937 7.025 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.264 2.732 5.960 1.00 10.00 H new ATOM 505 N ALA A 34 -6.294 -0.753 4.122 1.00 10.00 N ATOM 506 CA ALA A 34 -5.431 -0.985 2.965 1.00 10.00 C ATOM 507 C ALA A 34 -6.034 -2.018 1.999 1.00 10.00 C ATOM 508 O ALA A 34 -5.461 -3.091 1.815 1.00 10.00 O ATOM 509 CB ALA A 34 -4.038 -1.398 3.456 1.00 10.00 C ATOM 0 H ALA A 34 -6.765 -1.596 4.450 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.343 -0.061 2.394 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.387 -1.573 2.599 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.619 -0.603 4.073 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.116 -2.312 4.045 1.00 10.00 H new ATOM 515 N PRO A 35 -7.190 -1.731 1.374 1.00 10.00 N ATOM 516 CA PRO A 35 -7.869 -2.664 0.488 1.00 10.00 C ATOM 517 C PRO A 35 -7.193 -2.660 -0.886 1.00 10.00 C ATOM 518 O PRO A 35 -7.684 -2.038 -1.826 1.00 10.00 O ATOM 519 CB PRO A 35 -9.313 -2.156 0.431 1.00 10.00 C ATOM 520 CG PRO A 35 -9.147 -0.640 0.552 1.00 10.00 C ATOM 521 CD PRO A 35 -7.962 -0.504 1.508 1.00 10.00 C ATOM 0 HA PRO A 35 -7.832 -3.697 0.833 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.803 -2.436 -0.502 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.917 -2.562 1.243 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.943 -0.177 -0.414 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.044 -0.165 0.950 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.356 0.367 1.256 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.303 -0.369 2.534 1.00 10.00 H new ATOM 529 N VAL A 36 -6.047 -3.331 -1.010 1.00 10.00 N ATOM 530 CA VAL A 36 -5.289 -3.339 -2.249 1.00 10.00 C ATOM 531 C VAL A 36 -5.994 -4.162 -3.329 1.00 10.00 C ATOM 532 O VAL A 36 -6.712 -5.113 -3.013 1.00 10.00 O ATOM 533 CB VAL A 36 -3.868 -3.850 -1.982 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.296 -3.263 -0.683 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.790 -5.375 -1.918 1.00 10.00 C ATOM 0 H VAL A 36 -5.626 -3.878 -0.259 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.223 -2.319 -2.628 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.270 -3.515 -2.830 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.288 -3.646 -0.524 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.264 -2.176 -0.758 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.930 -3.550 0.156 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.761 -5.679 -1.727 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.431 -5.739 -1.115 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.123 -5.796 -2.867 1.00 10.00 H new ATOM 545 N ASN A 37 -5.758 -3.842 -4.605 1.00 10.00 N ATOM 546 CA ASN A 37 -6.346 -4.618 -5.691 1.00 10.00 C ATOM 547 C ASN A 37 -5.443 -5.800 -6.048 1.00 10.00 C ATOM 548 O ASN A 37 -4.222 -5.709 -5.938 1.00 10.00 O ATOM 549 CB ASN A 37 -6.607 -3.734 -6.909 1.00 10.00 C ATOM 550 CG ASN A 37 -7.574 -2.599 -6.585 1.00 10.00 C ATOM 551 OD1 ASN A 37 -7.131 -1.359 -6.745 1.00 10.00 O flip ATOM 552 ND2 ASN A 37 -8.713 -2.842 -6.205 1.00 10.00 N flip ATOM 0 H ASN A 37 -5.172 -3.062 -4.904 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.306 -5.012 -5.357 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.665 -3.319 -7.266 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.015 -4.340 -7.718 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -9.018 -3.809 -6.094 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.356 -2.077 -6.000 1.00 10.00 H new ATOM 559 N PHE A 38 -6.048 -6.910 -6.484 1.00 10.00 N ATOM 560 CA PHE A 38 -5.380 -8.189 -6.721 1.00 10.00 C ATOM 561 C PHE A 38 -5.606 -8.671 -8.155 1.00 10.00 C ATOM 562 O PHE A 38 -5.887 -9.845 -8.389 1.00 10.00 O ATOM 563 CB PHE A 38 -5.864 -9.208 -5.679 1.00 10.00 C ATOM 564 CG PHE A 38 -7.340 -9.151 -5.334 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.779 -8.323 -4.281 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.268 -9.942 -6.035 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.138 -8.292 -3.929 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.626 -9.920 -5.672 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.061 -9.098 -4.617 1.00 10.00 C ATOM 0 H PHE A 38 -7.047 -6.941 -6.687 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.303 -8.067 -6.608 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.634 -10.209 -6.044 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.291 -9.063 -4.763 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.069 -7.711 -3.744 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.937 -10.566 -6.852 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.474 -7.649 -3.129 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.336 -10.535 -6.204 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.104 -9.086 -4.336 1.00 10.00 H new ATOM 579 N ALA A 39 -5.461 -7.751 -9.111 1.00 10.00 N ATOM 580 CA ALA A 39 -5.588 -7.997 -10.545 1.00 10.00 C ATOM 581 C ALA A 39 -5.250 -6.721 -11.316 1.00 10.00 C ATOM 582 O ALA A 39 -4.614 -6.763 -12.362 1.00 10.00 O ATOM 583 CB ALA A 39 -7.018 -8.426 -10.891 1.00 10.00 C ATOM 0 H ALA A 39 -5.244 -6.778 -8.897 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.899 -8.794 -10.823 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.095 -8.605 -11.963 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.264 -9.341 -10.352 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.714 -7.638 -10.604 1.00 10.00 H new ATOM 589 N LEU A 40 -5.718 -5.585 -10.791 1.00 10.00 N ATOM 590 CA LEU A 40 -5.653 -4.288 -11.448 1.00 10.00 C ATOM 591 C LEU A 40 -4.257 -3.666 -11.344 1.00 10.00 C ATOM 592 O LEU A 40 -3.946 -2.732 -12.077 1.00 10.00 O ATOM 593 CB LEU A 40 -6.682 -3.346 -10.810 1.00 10.00 C ATOM 594 CG LEU A 40 -8.065 -3.965 -10.545 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.000 -2.853 -10.070 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.638 -4.678 -11.773 1.00 10.00 C ATOM 0 H LEU A 40 -6.163 -5.547 -9.874 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.874 -4.434 -12.505 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.279 -2.981 -9.866 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.808 -2.480 -11.459 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.965 -4.733 -9.778 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.989 -3.268 -9.875 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.605 -2.411 -9.155 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.074 -2.086 -10.841 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.615 -5.096 -11.528 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.742 -3.966 -12.591 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.965 -5.481 -12.074 1.00 10.00 H new ATOM 608 N GLU A 41 -3.454 -4.164 -10.398 1.00 10.00 N ATOM 609 CA GLU A 41 -2.085 -3.732 -10.139 1.00 10.00 C ATOM 610 C GLU A 41 -2.070 -2.302 -9.611 1.00 10.00 C ATOM 611 O GLU A 41 -1.256 -1.472 -10.015 1.00 10.00 O ATOM 612 CB GLU A 41 -1.182 -3.956 -11.359 1.00 10.00 C ATOM 613 CG GLU A 41 -1.142 -5.448 -11.696 1.00 10.00 C ATOM 614 CD GLU A 41 -0.073 -5.772 -12.727 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.196 -5.268 -13.862 1.00 10.00 O ATOM 616 OE2 GLU A 41 0.835 -6.545 -12.356 1.00 10.00 O ATOM 0 H GLU A 41 -3.756 -4.908 -9.769 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.658 -4.355 -9.353 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.557 -3.390 -12.211 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.176 -3.592 -11.152 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.954 -6.020 -10.787 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.116 -5.760 -12.073 1.00 10.00 H new ATOM 623 N THR A 42 -2.958 -2.055 -8.648 1.00 10.00 N ATOM 624 CA THR A 42 -3.088 -0.802 -7.936 1.00 10.00 C ATOM 625 C THR A 42 -3.333 -1.106 -6.458 1.00 10.00 C ATOM 626 O THR A 42 -4.286 -1.801 -6.098 1.00 10.00 O ATOM 627 CB THR A 42 -4.233 0.012 -8.542 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.362 -0.808 -8.774 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.805 0.658 -9.860 1.00 10.00 C ATOM 0 H THR A 42 -3.630 -2.757 -8.337 1.00 10.00 H new ATOM 0 HA THR A 42 -2.177 -0.209 -8.024 1.00 10.00 H new ATOM 0 HB THR A 42 -4.494 0.793 -7.828 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.877 -0.898 -7.945 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.636 1.231 -10.271 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.959 1.322 -9.682 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.514 -0.118 -10.568 1.00 10.00 H new ATOM 637 N VAL A 43 -2.459 -0.605 -5.591 1.00 10.00 N ATOM 638 CA VAL A 43 -2.697 -0.605 -4.155 1.00 10.00 C ATOM 639 C VAL A 43 -3.445 0.682 -3.821 1.00 10.00 C ATOM 640 O VAL A 43 -3.090 1.749 -4.318 1.00 10.00 O ATOM 641 CB VAL A 43 -1.359 -0.712 -3.413 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.413 -0.301 -1.940 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.769 -2.124 -3.512 1.00 10.00 C ATOM 0 H VAL A 43 -1.569 -0.189 -5.865 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.299 -1.458 -3.842 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.715 0.005 -3.923 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.423 -0.408 -1.496 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.734 0.738 -1.864 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.120 -0.939 -1.410 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.179 -2.161 -2.974 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.464 -2.840 -3.073 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.602 -2.376 -4.559 1.00 10.00 H new ATOM 653 N THR A 44 -4.453 0.571 -2.958 1.00 10.00 N ATOM 654 CA THR A 44 -5.254 1.663 -2.446 1.00 10.00 C ATOM 655 C THR A 44 -5.075 1.656 -0.925 1.00 10.00 C ATOM 656 O THR A 44 -5.324 0.620 -0.306 1.00 10.00 O ATOM 657 CB THR A 44 -6.718 1.387 -2.822 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.935 1.244 -4.219 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.653 2.437 -2.223 1.00 10.00 C ATOM 0 H THR A 44 -4.742 -0.332 -2.583 1.00 10.00 H new ATOM 0 HA THR A 44 -4.962 2.631 -2.853 1.00 10.00 H new ATOM 0 HB THR A 44 -6.956 0.418 -2.384 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.335 1.846 -4.707 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.681 2.213 -2.508 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.566 2.424 -1.137 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.379 3.424 -2.597 1.00 10.00 H new ATOM 667 N VAL A 45 -4.640 2.766 -0.315 1.00 10.00 N ATOM 668 CA VAL A 45 -4.463 2.867 1.129 1.00 10.00 C ATOM 669 C VAL A 45 -5.319 4.000 1.683 1.00 10.00 C ATOM 670 O VAL A 45 -5.394 5.068 1.077 1.00 10.00 O ATOM 671 CB VAL A 45 -2.986 3.101 1.472 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.760 3.039 2.986 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.116 2.058 0.765 1.00 10.00 C ATOM 0 H VAL A 45 -4.401 3.621 -0.817 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.780 1.930 1.586 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.705 4.096 1.127 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.705 3.208 3.204 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.359 3.807 3.475 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.055 2.058 3.358 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.068 2.230 1.013 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.407 1.060 1.092 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.252 2.141 -0.313 1.00 10.00 H new ATOM 683 N GLU A 46 -5.922 3.761 2.849 1.00 10.00 N ATOM 684 CA GLU A 46 -6.509 4.765 3.713 1.00 10.00 C ATOM 685 C GLU A 46 -5.556 4.950 4.901 1.00 10.00 C ATOM 686 O GLU A 46 -5.535 4.103 5.801 1.00 10.00 O ATOM 687 CB GLU A 46 -7.912 4.316 4.154 1.00 10.00 C ATOM 688 CG GLU A 46 -8.883 5.497 4.188 1.00 10.00 C ATOM 689 CD GLU A 46 -10.292 4.989 4.400 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.505 4.346 5.445 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.082 5.110 3.439 1.00 10.00 O ATOM 0 H GLU A 46 -6.014 2.818 3.226 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.635 5.719 3.200 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.285 3.554 3.470 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.857 3.858 5.142 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.609 6.183 4.989 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.824 6.057 3.254 1.00 10.00 H new ATOM 698 N TYR A 47 -4.745 6.017 4.900 1.00 10.00 N ATOM 699 CA TYR A 47 -3.820 6.315 5.992 1.00 10.00 C ATOM 700 C TYR A 47 -3.732 7.814 6.225 1.00 10.00 C ATOM 701 O TYR A 47 -4.048 8.604 5.342 1.00 10.00 O ATOM 702 CB TYR A 47 -2.417 5.733 5.750 1.00 10.00 C ATOM 703 CG TYR A 47 -1.500 6.569 4.868 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.750 6.721 3.490 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.483 7.334 5.471 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.048 7.688 2.749 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.179 8.333 4.744 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.131 8.534 3.391 1.00 10.00 C ATOM 709 OH TYR A 47 0.445 9.560 2.706 1.00 10.00 O ATOM 0 H TYR A 47 -4.715 6.696 4.139 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.221 5.835 6.885 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.931 5.590 6.715 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.525 4.747 5.299 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.482 6.094 3.002 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.211 7.150 6.500 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.215 7.780 1.686 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.926 8.947 5.225 1.00 10.00 H new ATOM 0 HH TYR A 47 1.054 10.048 3.299 1.00 10.00 H new ATOM 719 N ASN A 48 -3.302 8.201 7.423 1.00 10.00 N ATOM 720 CA ASN A 48 -3.085 9.595 7.785 1.00 10.00 C ATOM 721 C ASN A 48 -1.626 9.983 7.528 1.00 10.00 C ATOM 722 O ASN A 48 -0.722 9.292 7.996 1.00 10.00 O ATOM 723 CB ASN A 48 -3.533 9.903 9.227 1.00 10.00 C ATOM 724 CG ASN A 48 -2.719 9.274 10.365 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.527 9.515 10.527 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.381 8.524 11.240 1.00 10.00 N ATOM 0 H ASN A 48 -3.093 7.547 8.177 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.715 10.214 7.147 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.520 10.985 9.361 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.569 9.581 9.335 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.898 8.144 12.054 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.372 8.329 11.098 1.00 10.00 H new ATOM 733 N PRO A 49 -1.355 11.089 6.820 1.00 10.00 N ATOM 734 CA PRO A 49 -0.014 11.636 6.721 1.00 10.00 C ATOM 735 C PRO A 49 0.308 12.397 8.014 1.00 10.00 C ATOM 736 O PRO A 49 0.614 13.586 7.976 1.00 10.00 O ATOM 737 CB PRO A 49 -0.055 12.536 5.483 1.00 10.00 C ATOM 738 CG PRO A 49 -1.483 13.078 5.511 1.00 10.00 C ATOM 739 CD PRO A 49 -2.295 11.907 6.069 1.00 10.00 C ATOM 0 HA PRO A 49 0.771 10.887 6.613 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.683 13.336 5.539 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.149 11.978 4.569 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.565 13.962 6.144 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.823 13.365 4.516 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.102 12.262 6.710 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.756 11.333 5.265 1.00 10.00 H new ATOM 747 N LYS A 50 0.224 11.716 9.164 1.00 10.00 N ATOM 748 CA LYS A 50 0.586 12.285 10.456 1.00 10.00 C ATOM 749 C LYS A 50 1.584 11.326 11.087 1.00 10.00 C ATOM 750 O LYS A 50 2.729 11.697 11.332 1.00 10.00 O ATOM 751 CB LYS A 50 -0.678 12.563 11.303 1.00 10.00 C ATOM 752 CG LYS A 50 -0.533 12.436 12.833 1.00 10.00 C ATOM 753 CD LYS A 50 0.479 13.427 13.439 1.00 10.00 C ATOM 754 CE LYS A 50 1.583 12.742 14.263 1.00 10.00 C ATOM 755 NZ LYS A 50 1.082 12.078 15.480 1.00 10.00 N ATOM 0 H LYS A 50 -0.099 10.750 9.218 1.00 10.00 H new ATOM 0 HA LYS A 50 1.062 13.262 10.368 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -1.023 13.572 11.077 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.462 11.878 10.978 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.507 12.594 13.297 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.225 11.419 13.078 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.939 14.002 12.636 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.053 14.135 14.075 1.00 10.00 H new ATOM 0 HE2 LYS A 50 2.087 12.005 13.638 1.00 10.00 H new ATOM 0 HE3 LYS A 50 2.329 13.485 14.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 1.797 11.408 15.829 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 0.890 12.792 16.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 0.205 11.565 15.259 1.00 10.00 H new ATOM 769 N GLU A 51 1.145 10.096 11.352 1.00 10.00 N ATOM 770 CA GLU A 51 1.941 9.124 12.083 1.00 10.00 C ATOM 771 C GLU A 51 2.946 8.434 11.156 1.00 10.00 C ATOM 772 O GLU A 51 4.037 8.074 11.589 1.00 10.00 O ATOM 773 CB GLU A 51 0.999 8.129 12.784 1.00 10.00 C ATOM 774 CG GLU A 51 1.378 7.939 14.261 1.00 10.00 C ATOM 775 CD GLU A 51 1.160 9.217 15.056 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.038 9.770 15.005 1.00 10.00 O ATOM 777 OE2 GLU A 51 2.134 9.748 15.635 1.00 10.00 O ATOM 0 H GLU A 51 0.229 9.751 11.065 1.00 10.00 H new ATOM 0 HA GLU A 51 2.532 9.627 12.849 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.028 8.488 12.714 1.00 10.00 H new ATOM 0 HB3 GLU A 51 1.037 7.168 12.271 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.782 7.134 14.691 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.422 7.636 14.335 1.00 10.00 H new ATOM 784 N ALA A 52 2.579 8.256 9.884 1.00 10.00 N ATOM 785 CA ALA A 52 3.436 7.671 8.859 1.00 10.00 C ATOM 786 C ALA A 52 3.344 8.502 7.577 1.00 10.00 C ATOM 787 O ALA A 52 2.674 9.533 7.555 1.00 10.00 O ATOM 788 CB ALA A 52 3.011 6.227 8.628 1.00 10.00 C ATOM 0 H ALA A 52 1.658 8.521 9.535 1.00 10.00 H new ATOM 0 HA ALA A 52 4.477 7.676 9.181 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.645 5.779 7.863 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.111 5.665 9.557 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.972 6.202 8.299 1.00 10.00 H new ATOM 794 N SER A 53 4.016 8.061 6.508 1.00 10.00 N ATOM 795 CA SER A 53 4.029 8.741 5.222 1.00 10.00 C ATOM 796 C SER A 53 3.972 7.747 4.062 1.00 10.00 C ATOM 797 O SER A 53 4.208 6.551 4.223 1.00 10.00 O ATOM 798 CB SER A 53 5.302 9.589 5.111 1.00 10.00 C ATOM 799 OG SER A 53 6.441 8.747 5.035 1.00 10.00 O ATOM 0 H SER A 53 4.573 7.207 6.519 1.00 10.00 H new ATOM 0 HA SER A 53 3.146 9.377 5.163 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.250 10.224 4.227 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.385 10.250 5.974 1.00 10.00 H new ATOM 0 HG SER A 53 6.476 8.172 5.827 1.00 10.00 H new ATOM 805 N VAL A 54 3.765 8.291 2.865 1.00 10.00 N ATOM 806 CA VAL A 54 4.054 7.656 1.589 1.00 10.00 C ATOM 807 C VAL A 54 5.406 6.928 1.614 1.00 10.00 C ATOM 808 O VAL A 54 5.517 5.780 1.179 1.00 10.00 O ATOM 809 CB VAL A 54 4.044 8.745 0.503 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.320 8.142 -0.881 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.705 9.499 0.531 1.00 10.00 C ATOM 0 H VAL A 54 3.374 9.227 2.757 1.00 10.00 H new ATOM 0 HA VAL A 54 3.295 6.902 1.378 1.00 10.00 H new ATOM 0 HB VAL A 54 4.843 9.457 0.710 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.308 8.933 -1.631 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.297 7.659 -0.879 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.552 7.406 -1.117 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.705 10.269 -0.241 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.890 8.800 0.346 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.570 9.964 1.507 1.00 10.00 H new ATOM 821 N SER A 55 6.445 7.621 2.094 1.00 10.00 N ATOM 822 CA SER A 55 7.803 7.096 2.102 1.00 10.00 C ATOM 823 C SER A 55 7.914 5.910 3.059 1.00 10.00 C ATOM 824 O SER A 55 8.653 4.965 2.779 1.00 10.00 O ATOM 825 CB SER A 55 8.808 8.198 2.453 1.00 10.00 C ATOM 826 OG SER A 55 10.101 7.797 2.038 1.00 10.00 O ATOM 0 H SER A 55 6.362 8.559 2.486 1.00 10.00 H new ATOM 0 HA SER A 55 8.043 6.738 1.101 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.529 9.131 1.963 1.00 10.00 H new ATOM 0 HB3 SER A 55 8.799 8.386 3.527 1.00 10.00 H new ATOM 0 HG SER A 55 10.748 8.499 2.259 1.00 10.00 H new ATOM 832 N ASP A 56 7.165 5.945 4.165 1.00 10.00 N ATOM 833 CA ASP A 56 7.085 4.812 5.070 1.00 10.00 C ATOM 834 C ASP A 56 6.402 3.654 4.345 1.00 10.00 C ATOM 835 O ASP A 56 7.007 2.607 4.122 1.00 10.00 O ATOM 836 CB ASP A 56 6.318 5.203 6.337 1.00 10.00 C ATOM 837 CG ASP A 56 6.266 4.058 7.336 1.00 10.00 C ATOM 838 OD1 ASP A 56 5.555 3.078 7.030 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.911 4.202 8.394 1.00 10.00 O ATOM 0 H ASP A 56 6.607 6.750 4.449 1.00 10.00 H new ATOM 0 HA ASP A 56 8.085 4.501 5.373 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.794 6.068 6.799 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.304 5.501 6.071 1.00 10.00 H new ATOM 844 N LEU A 57 5.151 3.855 3.915 1.00 10.00 N ATOM 845 CA LEU A 57 4.310 2.746 3.518 1.00 10.00 C ATOM 846 C LEU A 57 4.889 2.027 2.301 1.00 10.00 C ATOM 847 O LEU A 57 4.996 0.802 2.301 1.00 10.00 O ATOM 848 CB LEU A 57 2.851 3.207 3.403 1.00 10.00 C ATOM 849 CG LEU A 57 2.547 4.153 2.240 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.251 3.369 0.960 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.359 5.059 2.588 1.00 10.00 C ATOM 0 H LEU A 57 4.711 4.772 3.837 1.00 10.00 H new ATOM 0 HA LEU A 57 4.298 1.976 4.290 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.217 2.326 3.307 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.570 3.701 4.333 1.00 10.00 H new ATOM 0 HG LEU A 57 3.428 4.772 2.068 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.038 4.065 0.148 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.116 2.760 0.698 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.388 2.723 1.120 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.154 5.727 1.752 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.480 4.446 2.787 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.598 5.649 3.473 1.00 10.00 H new ATOM 863 N LYS A 58 5.341 2.767 1.284 1.00 10.00 N ATOM 864 CA LYS A 58 6.093 2.187 0.190 1.00 10.00 C ATOM 865 C LYS A 58 7.229 1.286 0.651 1.00 10.00 C ATOM 866 O LYS A 58 7.434 0.245 0.039 1.00 10.00 O ATOM 867 CB LYS A 58 6.551 3.276 -0.784 1.00 10.00 C ATOM 868 CG LYS A 58 7.754 4.102 -0.314 1.00 10.00 C ATOM 869 CD LYS A 58 9.083 3.532 -0.849 1.00 10.00 C ATOM 870 CE LYS A 58 10.328 4.144 -0.186 1.00 10.00 C ATOM 871 NZ LYS A 58 10.484 3.731 1.226 1.00 10.00 N ATOM 0 H LYS A 58 5.193 3.773 1.204 1.00 10.00 H new ATOM 0 HA LYS A 58 5.419 1.522 -0.350 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.800 2.809 -1.737 1.00 10.00 H new ATOM 0 HB3 LYS A 58 5.716 3.951 -0.969 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.640 5.133 -0.648 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.779 4.121 0.776 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.094 2.453 -0.695 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.134 3.701 -1.925 1.00 10.00 H new ATOM 0 HE2 LYS A 58 11.215 3.849 -0.747 1.00 10.00 H new ATOM 0 HE3 LYS A 58 10.265 5.231 -0.238 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.299 4.224 1.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.623 3.974 1.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.640 2.704 1.272 1.00 10.00 H new ATOM 885 N GLU A 59 7.959 1.646 1.715 1.00 10.00 N ATOM 886 CA GLU A 59 9.035 0.820 2.212 1.00 10.00 C ATOM 887 C GLU A 59 8.524 -0.577 2.563 1.00 10.00 C ATOM 888 O GLU A 59 9.239 -1.557 2.389 1.00 10.00 O ATOM 889 CB GLU A 59 9.718 1.485 3.412 1.00 10.00 C ATOM 890 CG GLU A 59 11.199 1.106 3.343 1.00 10.00 C ATOM 891 CD GLU A 59 11.952 1.451 4.616 1.00 10.00 C ATOM 892 OE1 GLU A 59 12.118 2.669 4.833 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.360 0.497 5.313 1.00 10.00 O ATOM 0 H GLU A 59 7.813 2.508 2.240 1.00 10.00 H new ATOM 0 HA GLU A 59 9.781 0.712 1.425 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.594 2.567 3.377 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.275 1.144 4.347 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.288 0.037 3.152 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.663 1.620 2.501 1.00 10.00 H new ATOM 900 N ALA A 60 7.278 -0.684 3.025 1.00 10.00 N ATOM 901 CA ALA A 60 6.714 -1.969 3.415 1.00 10.00 C ATOM 902 C ALA A 60 6.757 -2.926 2.219 1.00 10.00 C ATOM 903 O ALA A 60 7.223 -4.065 2.314 1.00 10.00 O ATOM 904 CB ALA A 60 5.290 -1.757 3.938 1.00 10.00 C ATOM 0 H ALA A 60 6.643 0.106 3.137 1.00 10.00 H new ATOM 0 HA ALA A 60 7.298 -2.419 4.218 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.864 -2.716 4.231 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.315 -1.092 4.801 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.677 -1.312 3.154 1.00 10.00 H new ATOM 910 N VAL A 61 6.294 -2.420 1.078 1.00 10.00 N ATOM 911 CA VAL A 61 6.338 -3.093 -0.210 1.00 10.00 C ATOM 912 C VAL A 61 7.786 -3.297 -0.676 1.00 10.00 C ATOM 913 O VAL A 61 8.189 -4.412 -1.006 1.00 10.00 O ATOM 914 CB VAL A 61 5.500 -2.273 -1.201 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.685 -2.796 -2.626 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.025 -2.293 -0.778 1.00 10.00 C ATOM 0 H VAL A 61 5.863 -1.497 1.028 1.00 10.00 H new ATOM 0 HA VAL A 61 5.913 -4.094 -0.137 1.00 10.00 H new ATOM 0 HB VAL A 61 5.842 -1.238 -1.189 1.00 10.00 H new ATOM 0 HG11 VAL A 61 5.083 -2.201 -3.313 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.735 -2.722 -2.907 1.00 10.00 H new ATOM 0 HG13 VAL A 61 5.369 -3.838 -2.675 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.436 -1.709 -1.485 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.664 -3.321 -0.766 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.926 -1.863 0.219 1.00 10.00 H new ATOM 926 N ASP A 62 8.573 -2.221 -0.652 1.00 10.00 N ATOM 927 CA ASP A 62 9.974 -2.189 -1.065 1.00 10.00 C ATOM 928 C ASP A 62 10.730 -3.333 -0.373 1.00 10.00 C ATOM 929 O ASP A 62 11.562 -4.014 -0.966 1.00 10.00 O ATOM 930 CB ASP A 62 10.548 -0.806 -0.686 1.00 10.00 C ATOM 931 CG ASP A 62 11.411 -0.116 -1.731 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.010 -0.818 -2.571 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.426 1.136 -1.675 1.00 10.00 O ATOM 0 H ASP A 62 8.238 -1.313 -0.331 1.00 10.00 H new ATOM 0 HA ASP A 62 10.079 -2.330 -2.141 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.715 -0.147 -0.443 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.139 -0.920 0.222 1.00 10.00 H new ATOM 938 N LYS A 63 10.388 -3.567 0.898 1.00 10.00 N ATOM 939 CA LYS A 63 10.991 -4.563 1.756 1.00 10.00 C ATOM 940 C LYS A 63 10.478 -5.958 1.403 1.00 10.00 C ATOM 941 O LYS A 63 11.263 -6.903 1.404 1.00 10.00 O ATOM 942 CB LYS A 63 10.695 -4.201 3.217 1.00 10.00 C ATOM 943 CG LYS A 63 11.661 -4.880 4.195 1.00 10.00 C ATOM 944 CD LYS A 63 12.950 -4.054 4.317 1.00 10.00 C ATOM 945 CE LYS A 63 13.981 -4.766 5.203 1.00 10.00 C ATOM 946 NZ LYS A 63 15.171 -3.920 5.438 1.00 10.00 N ATOM 0 H LYS A 63 9.651 -3.039 1.366 1.00 10.00 H new ATOM 0 HA LYS A 63 12.071 -4.576 1.610 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.758 -3.120 3.340 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.673 -4.491 3.460 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.190 -4.981 5.173 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.895 -5.886 3.848 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.372 -3.885 3.326 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.720 -3.075 4.737 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.524 -5.026 6.158 1.00 10.00 H new ATOM 0 HE3 LYS A 63 14.285 -5.700 4.730 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.847 -4.432 6.040 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.621 -3.693 4.528 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 14.883 -3.040 5.911 1.00 10.00 H new ATOM 960 N LEU A 64 9.176 -6.113 1.118 1.00 10.00 N ATOM 961 CA LEU A 64 8.677 -7.356 0.550 1.00 10.00 C ATOM 962 C LEU A 64 9.458 -7.749 -0.708 1.00 10.00 C ATOM 963 O LEU A 64 9.760 -8.929 -0.878 1.00 10.00 O ATOM 964 CB LEU A 64 7.184 -7.241 0.240 1.00 10.00 C ATOM 965 CG LEU A 64 6.292 -7.410 1.474 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.894 -6.893 1.137 1.00 10.00 C ATOM 967 CD2 LEU A 64 6.201 -8.878 1.907 1.00 10.00 C ATOM 0 H LEU A 64 8.465 -5.398 1.272 1.00 10.00 H new ATOM 0 HA LEU A 64 8.821 -8.143 1.290 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.988 -6.268 -0.211 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.915 -7.995 -0.500 1.00 10.00 H new ATOM 0 HG LEU A 64 6.727 -6.846 2.299 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.245 -7.006 2.006 1.00 10.00 H new ATOM 0 HD12 LEU A 64 4.952 -5.840 0.862 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.486 -7.464 0.303 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.560 -8.959 2.785 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.781 -9.471 1.095 1.00 10.00 H new ATOM 0 HD23 LEU A 64 7.197 -9.248 2.149 1.00 10.00 H new ATOM 979 N GLY A 65 9.785 -6.785 -1.577 1.00 10.00 N ATOM 980 CA GLY A 65 10.760 -7.007 -2.644 1.00 10.00 C ATOM 981 C GLY A 65 10.373 -6.351 -3.965 1.00 10.00 C ATOM 982 O GLY A 65 11.245 -5.975 -4.745 1.00 10.00 O ATOM 0 H GLY A 65 9.388 -5.846 -1.560 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.729 -6.622 -2.326 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.878 -8.079 -2.800 1.00 10.00 H new ATOM 986 N TYR A 66 9.071 -6.233 -4.233 1.00 10.00 N ATOM 987 CA TYR A 66 8.570 -5.491 -5.381 1.00 10.00 C ATOM 988 C TYR A 66 8.428 -4.030 -4.966 1.00 10.00 C ATOM 989 O TYR A 66 8.397 -3.739 -3.774 1.00 10.00 O ATOM 990 CB TYR A 66 7.253 -6.089 -5.893 1.00 10.00 C ATOM 991 CG TYR A 66 6.107 -6.133 -4.902 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.109 -7.062 -3.845 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.037 -5.228 -5.024 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.179 -6.938 -2.807 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.057 -5.160 -4.020 1.00 10.00 C ATOM 996 CZ TYR A 66 4.207 -5.933 -2.858 1.00 10.00 C ATOM 997 OH TYR A 66 3.564 -5.585 -1.715 1.00 10.00 O ATOM 0 H TYR A 66 8.339 -6.650 -3.658 1.00 10.00 H new ATOM 0 HA TYR A 66 9.268 -5.558 -6.216 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.932 -5.516 -6.763 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.449 -7.105 -6.236 1.00 10.00 H new ATOM 0 HD1 TYR A 66 6.827 -7.869 -3.835 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.969 -4.586 -5.889 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.211 -7.617 -1.968 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.196 -4.519 -4.141 1.00 10.00 H new ATOM 0 HH TYR A 66 4.220 -5.311 -1.041 1.00 10.00 H new ATOM 1007 N LYS A 67 8.377 -3.109 -5.930 1.00 10.00 N ATOM 1008 CA LYS A 67 8.446 -1.680 -5.639 1.00 10.00 C ATOM 1009 C LYS A 67 7.065 -1.033 -5.790 1.00 10.00 C ATOM 1010 O LYS A 67 6.229 -1.500 -6.568 1.00 10.00 O ATOM 1011 CB LYS A 67 9.550 -1.038 -6.495 1.00 10.00 C ATOM 1012 CG LYS A 67 9.980 0.363 -6.018 1.00 10.00 C ATOM 1013 CD LYS A 67 9.297 1.478 -6.824 1.00 10.00 C ATOM 1014 CE LYS A 67 10.004 1.676 -8.175 1.00 10.00 C ATOM 1015 NZ LYS A 67 9.109 2.266 -9.187 1.00 10.00 N ATOM 0 H LYS A 67 8.288 -3.331 -6.922 1.00 10.00 H new ATOM 0 HA LYS A 67 8.726 -1.511 -4.599 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.421 -1.693 -6.496 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.202 -0.968 -7.526 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.736 0.477 -4.962 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.062 0.461 -6.108 1.00 10.00 H new ATOM 0 HD2 LYS A 67 8.249 1.226 -6.989 1.00 10.00 H new ATOM 0 HD3 LYS A 67 9.316 2.409 -6.257 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.872 2.321 -8.039 1.00 10.00 H new ATOM 0 HE3 LYS A 67 10.374 0.716 -8.534 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 9.654 2.901 -9.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 8.684 1.508 -9.759 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 8.357 2.805 -8.713 1.00 10.00 H new ATOM 1029 N LEU A 68 6.838 0.034 -5.015 1.00 10.00 N ATOM 1030 CA LEU A 68 5.599 0.788 -4.918 1.00 10.00 C ATOM 1031 C LEU A 68 5.901 2.247 -5.247 1.00 10.00 C ATOM 1032 O LEU A 68 6.996 2.730 -4.953 1.00 10.00 O ATOM 1033 CB LEU A 68 5.089 0.704 -3.468 1.00 10.00 C ATOM 1034 CG LEU A 68 3.667 1.252 -3.286 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.681 0.286 -3.927 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.275 1.481 -1.830 1.00 10.00 C ATOM 0 H LEU A 68 7.563 0.411 -4.405 1.00 10.00 H new ATOM 0 HA LEU A 68 4.851 0.390 -5.604 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.113 -0.336 -3.142 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.769 1.257 -2.820 1.00 10.00 H new ATOM 0 HG LEU A 68 3.642 2.229 -3.768 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.667 0.666 -3.803 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.905 0.189 -4.989 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.764 -0.690 -3.448 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.257 1.869 -1.784 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.329 0.538 -1.286 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.958 2.200 -1.378 1.00 10.00 H new ATOM 1048 N LYS A 69 4.924 2.970 -5.798 1.00 10.00 N ATOM 1049 CA LYS A 69 4.964 4.413 -5.891 1.00 10.00 C ATOM 1050 C LYS A 69 3.553 4.988 -5.954 1.00 10.00 C ATOM 1051 O LYS A 69 2.698 4.397 -6.603 1.00 10.00 O ATOM 1052 CB LYS A 69 5.788 4.814 -7.122 1.00 10.00 C ATOM 1053 CG LYS A 69 6.357 6.223 -6.973 1.00 10.00 C ATOM 1054 CD LYS A 69 7.172 6.295 -5.674 1.00 10.00 C ATOM 1055 CE LYS A 69 8.328 7.298 -5.803 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.158 7.354 -4.581 1.00 10.00 N ATOM 0 H LYS A 69 4.079 2.557 -6.193 1.00 10.00 H new ATOM 0 HA LYS A 69 5.440 4.824 -5.000 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.602 4.104 -7.264 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.162 4.764 -8.013 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.988 6.467 -7.828 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.550 6.955 -6.953 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.523 6.588 -4.849 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.567 5.308 -5.434 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.953 7.022 -6.652 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.925 8.289 -6.012 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.925 8.043 -4.714 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.569 7.643 -3.774 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.565 6.415 -4.394 1.00 10.00 H new ATOM 1070 N LEU A 70 3.308 6.112 -5.267 1.00 10.00 N ATOM 1071 CA LEU A 70 2.003 6.758 -5.220 1.00 10.00 C ATOM 1072 C LEU A 70 1.689 7.389 -6.576 1.00 10.00 C ATOM 1073 O LEU A 70 2.595 7.696 -7.350 1.00 10.00 O ATOM 1074 CB LEU A 70 1.999 7.821 -4.116 1.00 10.00 C ATOM 1075 CG LEU A 70 0.651 8.110 -3.427 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.936 8.800 -2.096 1.00 10.00 C ATOM 1077 CD2 LEU A 70 -0.251 9.052 -4.224 1.00 10.00 C ATOM 0 H LEU A 70 4.022 6.598 -4.725 1.00 10.00 H new ATOM 0 HA LEU A 70 1.235 6.017 -4.997 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.712 7.516 -3.350 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.368 8.754 -4.543 1.00 10.00 H new ATOM 0 HG LEU A 70 0.139 7.153 -3.322 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.005 9.015 -1.589 1.00 10.00 H new ATOM 0 HD12 LEU A 70 1.544 8.147 -1.470 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.472 9.732 -2.277 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -1.182 9.211 -3.680 1.00 10.00 H new ATOM 0 HD22 LEU A 70 0.255 10.007 -4.365 1.00 10.00 H new ATOM 0 HD23 LEU A 70 -0.470 8.610 -5.196 1.00 10.00 H new ATOM 1089 N LYS A 71 0.402 7.606 -6.820 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.167 8.208 -8.004 1.00 10.00 C ATOM 1091 C LYS A 71 -0.970 9.441 -7.591 1.00 10.00 C ATOM 1092 O LYS A 71 -0.603 10.565 -7.921 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.043 7.145 -8.668 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.913 7.740 -9.772 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.182 6.733 -10.900 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.969 5.498 -10.422 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.650 4.300 -11.223 1.00 10.00 N ATOM 0 H LYS A 71 -0.316 7.345 -6.144 1.00 10.00 H new ATOM 0 HA LYS A 71 0.594 8.537 -8.712 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.411 6.361 -9.085 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.678 6.676 -7.917 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.861 8.070 -9.348 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.423 8.623 -10.183 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.738 7.227 -11.697 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.232 6.410 -11.327 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.741 5.305 -9.374 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.038 5.702 -10.484 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.260 3.512 -10.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.811 4.503 -12.230 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.654 4.040 -11.077 1.00 10.00 H new ATOM 1111 N GLY A 72 -2.072 9.221 -6.872 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.897 10.293 -6.347 1.00 10.00 C ATOM 1113 C GLY A 72 -3.852 9.748 -5.294 1.00 10.00 C ATOM 1114 O GLY A 72 -3.572 9.834 -4.103 1.00 10.00 O ATOM 0 H GLY A 72 -2.413 8.288 -6.640 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.266 11.068 -5.911 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.461 10.758 -7.155 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.963 9.160 -5.740 1.00 10.00 N ATOM 1119 CA GLU A 73 -6.093 8.783 -4.901 1.00 10.00 C ATOM 1120 C GLU A 73 -6.950 7.794 -5.684 1.00 10.00 C ATOM 1121 O GLU A 73 -6.807 7.701 -6.904 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.910 10.030 -4.505 1.00 10.00 C ATOM 1123 CG GLU A 73 -7.410 10.847 -5.711 1.00 10.00 C ATOM 1124 CD GLU A 73 -8.328 11.989 -5.286 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -7.790 12.973 -4.743 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -9.556 11.852 -5.503 1.00 10.00 O ATOM 0 H GLU A 73 -5.102 8.928 -6.723 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.743 8.319 -3.979 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.767 9.718 -3.907 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.296 10.671 -3.872 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.556 11.251 -6.254 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.943 10.190 -6.398 1.00 10.00 H new