USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 31 SER OG : rot 180:sc= -0.0196 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -114:sc= -2.29! (180deg=-4.46!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 134:sc= -1.41 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00221 X(o=-0.0022,f=-0.42) USER MOD Single : A 38 SER OG : rot -64:sc= 0.711 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 48 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 140:sc= 0 USER MOD Single : A 66 TYR OH : rot 165:sc= 0.475 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 72 SER OG : rot 150:sc= -0.654 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.946 -13.665 4.645 1.00 0.00 N ATOM 60 CA GLY A 7 5.804 -12.840 3.461 1.00 0.00 C ATOM 61 C GLY A 7 6.851 -11.746 3.387 1.00 0.00 C ATOM 62 O GLY A 7 8.050 -12.026 3.369 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.876 -13.468 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.811 -12.390 3.453 1.00 0.00 H new ATOM 66 N MET A 8 6.399 -10.498 3.342 1.00 0.00 N ATOM 67 CA MET A 8 7.306 -9.358 3.269 1.00 0.00 C ATOM 68 C MET A 8 6.733 -8.158 4.015 1.00 0.00 C ATOM 69 O MET A 8 5.522 -7.939 4.018 1.00 0.00 O ATOM 70 CB MET A 8 7.576 -8.986 1.810 1.00 0.00 C ATOM 71 CG MET A 8 6.502 -8.098 1.201 1.00 0.00 C ATOM 72 SD MET A 8 6.952 -7.487 -0.434 1.00 0.00 S ATOM 73 CE MET A 8 5.398 -6.776 -0.969 1.00 0.00 C ATOM 0 H MET A 8 5.410 -10.250 3.355 1.00 0.00 H new ATOM 0 HA MET A 8 8.245 -9.642 3.743 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.537 -8.476 1.745 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.659 -9.899 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.569 -8.658 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.317 -7.252 1.863 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.011 -7.343 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.680 -6.812 -0.149 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.556 -5.740 -1.268 1.00 0.00 H new ATOM 83 N GLN A 9 7.610 -7.384 4.646 1.00 0.00 N ATOM 84 CA GLN A 9 7.189 -6.207 5.396 1.00 0.00 C ATOM 85 C GLN A 9 7.107 -4.984 4.488 1.00 0.00 C ATOM 86 O GLN A 9 7.981 -4.760 3.650 1.00 0.00 O ATOM 87 CB GLN A 9 8.158 -5.937 6.548 1.00 0.00 C ATOM 88 CG GLN A 9 7.653 -4.898 7.537 1.00 0.00 C ATOM 89 CD GLN A 9 8.582 -4.719 8.721 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.679 -4.176 8.588 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.147 -5.177 9.890 1.00 0.00 N ATOM 0 H GLN A 9 8.616 -7.551 4.653 1.00 0.00 H new ATOM 0 HA GLN A 9 6.197 -6.402 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.347 -6.870 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.112 -5.604 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.534 -3.943 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.667 -5.192 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.231 -5.620 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.729 -5.085 10.722 1.00 0.00 H new ATOM 100 N LEU A 10 6.052 -4.195 4.660 1.00 0.00 N ATOM 101 CA LEU A 10 5.855 -2.994 3.856 1.00 0.00 C ATOM 102 C LEU A 10 5.703 -1.763 4.743 1.00 0.00 C ATOM 103 O LEU A 10 5.151 -1.840 5.841 1.00 0.00 O ATOM 104 CB LEU A 10 4.622 -3.150 2.964 1.00 0.00 C ATOM 105 CG LEU A 10 4.735 -4.173 1.833 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.428 -4.264 1.063 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.882 -3.811 0.900 1.00 0.00 C ATOM 0 H LEU A 10 5.320 -4.365 5.349 1.00 0.00 H new ATOM 0 HA LEU A 10 6.735 -2.859 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.776 -3.426 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.390 -2.179 2.526 1.00 0.00 H new ATOM 0 HG LEU A 10 4.943 -5.149 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.528 -4.997 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.629 -4.570 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.189 -3.290 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.948 -4.550 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.704 -2.826 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.817 -3.798 1.460 1.00 0.00 H new ATOM 119 N THR A 11 6.195 -0.627 4.260 1.00 0.00 N ATOM 120 CA THR A 11 6.114 0.621 5.008 1.00 0.00 C ATOM 121 C THR A 11 5.485 1.726 4.167 1.00 0.00 C ATOM 122 O THR A 11 6.150 2.339 3.332 1.00 0.00 O ATOM 123 CB THR A 11 7.504 1.082 5.485 1.00 0.00 C ATOM 124 OG1 THR A 11 8.305 -0.053 5.830 1.00 0.00 O ATOM 125 CG2 THR A 11 7.384 2.009 6.686 1.00 0.00 C ATOM 0 H THR A 11 6.654 -0.546 3.353 1.00 0.00 H new ATOM 0 HA THR A 11 5.486 0.428 5.878 1.00 0.00 H new ATOM 0 HB THR A 11 7.981 1.628 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.188 0.249 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.378 2.322 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.799 2.886 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.889 1.484 7.503 1.00 0.00 H new ATOM 133 N VAL A 12 4.199 1.978 4.394 1.00 0.00 N ATOM 134 CA VAL A 12 3.481 3.011 3.658 1.00 0.00 C ATOM 135 C VAL A 12 3.734 4.390 4.258 1.00 0.00 C ATOM 136 O VAL A 12 3.369 4.658 5.403 1.00 0.00 O ATOM 137 CB VAL A 12 1.965 2.740 3.645 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.225 3.878 2.959 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.668 1.412 2.965 1.00 0.00 C ATOM 0 H VAL A 12 3.634 1.480 5.082 1.00 0.00 H new ATOM 0 HA VAL A 12 3.856 2.989 2.635 1.00 0.00 H new ATOM 0 HB VAL A 12 1.615 2.681 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.155 3.669 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.413 4.809 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.576 3.973 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.592 1.236 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.032 1.440 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.167 0.607 3.505 1.00 0.00 H new ATOM 149 N LYS A 13 4.362 5.263 3.477 1.00 0.00 N ATOM 150 CA LYS A 13 4.664 6.616 3.929 1.00 0.00 C ATOM 151 C LYS A 13 3.844 7.643 3.155 1.00 0.00 C ATOM 152 O LYS A 13 3.916 7.711 1.929 1.00 0.00 O ATOM 153 CB LYS A 13 6.156 6.909 3.765 1.00 0.00 C ATOM 154 CG LYS A 13 6.533 8.345 4.088 1.00 0.00 C ATOM 155 CD LYS A 13 6.885 8.513 5.556 1.00 0.00 C ATOM 156 CE LYS A 13 7.724 9.760 5.789 1.00 0.00 C ATOM 157 NZ LYS A 13 6.878 10.977 5.937 1.00 0.00 N ATOM 0 H LYS A 13 4.672 5.057 2.527 1.00 0.00 H new ATOM 0 HA LYS A 13 4.401 6.688 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.723 6.239 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.451 6.687 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.381 8.646 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.704 9.006 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.970 8.573 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.431 7.636 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.330 9.628 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.413 9.896 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.486 11.806 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.318 11.118 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.238 10.858 6.748 1.00 0.00 H new ATOM 171 N ALA A 14 3.067 8.441 3.880 1.00 0.00 N ATOM 172 CA ALA A 14 2.237 9.467 3.261 1.00 0.00 C ATOM 173 C ALA A 14 3.052 10.718 2.950 1.00 0.00 C ATOM 174 O ALA A 14 3.573 11.373 3.854 1.00 0.00 O ATOM 175 CB ALA A 14 1.062 9.811 4.164 1.00 0.00 C ATOM 0 H ALA A 14 2.995 8.397 4.896 1.00 0.00 H new ATOM 0 HA ALA A 14 1.854 9.071 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.451 10.578 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.459 8.919 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.434 10.183 5.119 1.00 0.00 H new ATOM 224 N ARG A 18 0.726 10.638 7.102 1.00 0.00 N ATOM 225 CA ARG A 18 1.338 9.794 8.121 1.00 0.00 C ATOM 226 C ARG A 18 1.958 8.549 7.494 1.00 0.00 C ATOM 227 O ARG A 18 1.951 8.388 6.274 1.00 0.00 O ATOM 228 CB ARG A 18 0.300 9.388 9.169 1.00 0.00 C ATOM 229 CG ARG A 18 -0.220 10.553 9.994 1.00 0.00 C ATOM 230 CD ARG A 18 -1.406 10.142 10.853 1.00 0.00 C ATOM 231 NE ARG A 18 -1.919 11.256 11.647 1.00 0.00 N ATOM 232 CZ ARG A 18 -3.080 11.225 12.291 1.00 0.00 C ATOM 233 NH1 ARG A 18 -3.845 10.143 12.236 1.00 0.00 N ATOM 234 NH2 ARG A 18 -3.479 12.278 12.992 1.00 0.00 N ATOM 0 HA ARG A 18 2.128 10.368 8.606 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.539 8.905 8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.741 8.649 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.578 10.934 10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.514 11.367 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.200 9.756 10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.109 9.330 11.517 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.355 12.103 11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.542 9.331 11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.736 10.123 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.894 13.112 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.371 12.253 13.486 1.00 0.00 H new ATOM 248 N GLU A 19 2.494 7.672 8.338 1.00 0.00 N ATOM 249 CA GLU A 19 3.119 6.442 7.866 1.00 0.00 C ATOM 250 C GLU A 19 2.637 5.242 8.675 1.00 0.00 C ATOM 251 O GLU A 19 2.036 5.397 9.739 1.00 0.00 O ATOM 252 CB GLU A 19 4.642 6.552 7.953 1.00 0.00 C ATOM 253 CG GLU A 19 5.135 7.149 9.261 1.00 0.00 C ATOM 254 CD GLU A 19 6.517 6.654 9.644 1.00 0.00 C ATOM 255 OE1 GLU A 19 6.961 5.636 9.072 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.153 7.284 10.514 1.00 0.00 O ATOM 0 H GLU A 19 2.508 7.791 9.351 1.00 0.00 H new ATOM 0 HA GLU A 19 2.832 6.295 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.077 5.560 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.002 7.164 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.153 8.236 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.432 6.903 10.056 1.00 0.00 H new ATOM 263 N CYS A 20 2.905 4.045 8.163 1.00 0.00 N ATOM 264 CA CYS A 20 2.498 2.817 8.837 1.00 0.00 C ATOM 265 C CYS A 20 3.094 1.595 8.146 1.00 0.00 C ATOM 266 O CYS A 20 3.144 1.526 6.919 1.00 0.00 O ATOM 267 CB CYS A 20 0.973 2.708 8.866 1.00 0.00 C ATOM 268 SG CYS A 20 0.216 2.505 7.236 1.00 0.00 S ATOM 0 H CYS A 20 3.402 3.899 7.284 1.00 0.00 H new ATOM 0 HA CYS A 20 2.872 2.852 9.860 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.692 1.862 9.493 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.564 3.603 9.336 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.671 1.555 7.284 1.00 0.00 H new ATOM 274 N SER A 21 3.548 0.634 8.944 1.00 0.00 N ATOM 275 CA SER A 21 4.147 -0.584 8.410 1.00 0.00 C ATOM 276 C SER A 21 3.247 -1.789 8.666 1.00 0.00 C ATOM 277 O SER A 21 2.537 -1.847 9.670 1.00 0.00 O ATOM 278 CB SER A 21 5.523 -0.818 9.037 1.00 0.00 C ATOM 279 OG SER A 21 5.405 -1.209 10.395 1.00 0.00 O ATOM 0 H SER A 21 3.513 0.675 9.963 1.00 0.00 H new ATOM 0 HA SER A 21 4.263 -0.461 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.054 -1.588 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.117 0.093 8.968 1.00 0.00 H new ATOM 0 HG SER A 21 6.298 -1.354 10.772 1.00 0.00 H new ATOM 285 N LEU A 22 3.282 -2.750 7.749 1.00 0.00 N ATOM 286 CA LEU A 22 2.470 -3.956 7.874 1.00 0.00 C ATOM 287 C LEU A 22 3.183 -5.157 7.261 1.00 0.00 C ATOM 288 O LEU A 22 4.142 -5.003 6.505 1.00 0.00 O ATOM 289 CB LEU A 22 1.114 -3.753 7.196 1.00 0.00 C ATOM 290 CG LEU A 22 0.081 -2.951 7.990 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.853 -2.206 7.049 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.708 -3.866 8.915 1.00 0.00 C ATOM 0 H LEU A 22 3.863 -2.718 6.912 1.00 0.00 H new ATOM 0 HA LEU A 22 2.313 -4.152 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.278 -3.252 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.691 -4.733 6.973 1.00 0.00 H new ATOM 0 HG LEU A 22 0.608 -2.218 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.581 -1.641 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.274 -1.521 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.374 -2.921 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.438 -3.279 9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.225 -4.622 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.027 -4.354 9.612 1.00 0.00 H new ATOM 304 N GLN A 23 2.705 -6.353 7.590 1.00 0.00 N ATOM 305 CA GLN A 23 3.296 -7.581 7.071 1.00 0.00 C ATOM 306 C GLN A 23 2.350 -8.269 6.093 1.00 0.00 C ATOM 307 O GLN A 23 1.235 -8.646 6.453 1.00 0.00 O ATOM 308 CB GLN A 23 3.641 -8.531 8.219 1.00 0.00 C ATOM 309 CG GLN A 23 2.473 -8.808 9.151 1.00 0.00 C ATOM 310 CD GLN A 23 2.873 -9.635 10.358 1.00 0.00 C ATOM 311 OE1 GLN A 23 4.030 -10.030 10.498 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.914 -9.899 11.238 1.00 0.00 N ATOM 0 H GLN A 23 1.911 -6.498 8.213 1.00 0.00 H new ATOM 0 HA GLN A 23 4.211 -7.318 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.996 -9.475 7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.463 -8.107 8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.049 -7.862 9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.690 -9.330 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.968 -9.551 11.081 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.123 -10.450 12.071 1.00 0.00 H new ATOM 321 N VAL A 24 2.802 -8.428 4.853 1.00 0.00 N ATOM 322 CA VAL A 24 1.995 -9.071 3.822 1.00 0.00 C ATOM 323 C VAL A 24 2.877 -9.722 2.761 1.00 0.00 C ATOM 324 O VAL A 24 4.007 -9.301 2.514 1.00 0.00 O ATOM 325 CB VAL A 24 1.049 -8.065 3.141 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.048 -7.629 4.100 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.829 -6.864 2.628 1.00 0.00 C ATOM 0 H VAL A 24 3.722 -8.121 4.538 1.00 0.00 H new ATOM 0 HA VAL A 24 1.401 -9.839 4.318 1.00 0.00 H new ATOM 0 HB VAL A 24 0.579 -8.555 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.706 -6.918 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.624 -8.499 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.400 -7.156 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.145 -6.163 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.329 -6.371 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.573 -7.196 1.904 1.00 0.00 H new ATOM 337 N PRO A 25 2.349 -10.774 2.118 1.00 0.00 N ATOM 338 CA PRO A 25 3.070 -11.505 1.072 1.00 0.00 C ATOM 339 C PRO A 25 3.234 -10.683 -0.202 1.00 0.00 C ATOM 340 O PRO A 25 2.596 -9.644 -0.367 1.00 0.00 O ATOM 341 CB PRO A 25 2.180 -12.723 0.812 1.00 0.00 C ATOM 342 CG PRO A 25 0.814 -12.287 1.218 1.00 0.00 C ATOM 343 CD PRO A 25 1.007 -11.330 2.361 1.00 0.00 C ATOM 0 HA PRO A 25 4.085 -11.759 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.207 -13.016 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.509 -13.585 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.296 -11.805 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.206 -13.140 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.244 -10.551 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.951 -11.838 3.324 1.00 0.00 H new ATOM 351 N GLU A 26 4.092 -11.157 -1.100 1.00 0.00 N ATOM 352 CA GLU A 26 4.339 -10.464 -2.359 1.00 0.00 C ATOM 353 C GLU A 26 3.263 -10.804 -3.387 1.00 0.00 C ATOM 354 O GLU A 26 3.144 -10.143 -4.419 1.00 0.00 O ATOM 355 CB GLU A 26 5.718 -10.833 -2.908 1.00 0.00 C ATOM 356 CG GLU A 26 5.878 -12.314 -3.208 1.00 0.00 C ATOM 357 CD GLU A 26 6.999 -12.593 -4.190 1.00 0.00 C ATOM 358 OE1 GLU A 26 8.157 -12.734 -3.744 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.719 -12.670 -5.405 1.00 0.00 O ATOM 0 H GLU A 26 4.627 -12.017 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 26 4.308 -9.392 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.901 -10.265 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.479 -10.533 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.072 -12.850 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.942 -12.702 -3.611 1.00 0.00 H new ATOM 366 N ASP A 27 2.483 -11.840 -3.097 1.00 0.00 N ATOM 367 CA ASP A 27 1.416 -12.269 -3.995 1.00 0.00 C ATOM 368 C ASP A 27 0.053 -11.835 -3.466 1.00 0.00 C ATOM 369 O ASP A 27 -0.967 -12.447 -3.778 1.00 0.00 O ATOM 370 CB ASP A 27 1.449 -13.787 -4.172 1.00 0.00 C ATOM 371 CG ASP A 27 2.862 -14.329 -4.267 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.627 -13.841 -5.124 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.202 -15.242 -3.485 1.00 0.00 O ATOM 0 H ASP A 27 2.569 -12.398 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 27 1.577 -11.795 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.938 -14.259 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.898 -14.057 -5.073 1.00 0.00 H new ATOM 378 N GLU A 28 0.046 -10.776 -2.662 1.00 0.00 N ATOM 379 CA GLU A 28 -1.192 -10.262 -2.088 1.00 0.00 C ATOM 380 C GLU A 28 -1.900 -9.329 -3.067 1.00 0.00 C ATOM 381 O GLU A 28 -1.258 -8.651 -3.870 1.00 0.00 O ATOM 382 CB GLU A 28 -0.905 -9.523 -0.779 1.00 0.00 C ATOM 383 CG GLU A 28 -2.049 -9.586 0.219 1.00 0.00 C ATOM 384 CD GLU A 28 -2.148 -10.933 0.909 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.101 -11.965 0.208 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.271 -10.954 2.152 1.00 0.00 O ATOM 0 H GLU A 28 0.883 -10.258 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.846 -11.109 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.011 -9.946 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.685 -8.479 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.915 -8.807 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.987 -9.376 -0.295 1.00 0.00 H new ATOM 393 N LEU A 29 -3.226 -9.301 -2.994 1.00 0.00 N ATOM 394 CA LEU A 29 -4.023 -8.453 -3.873 1.00 0.00 C ATOM 395 C LEU A 29 -4.005 -7.004 -3.395 1.00 0.00 C ATOM 396 O LEU A 29 -4.364 -6.712 -2.254 1.00 0.00 O ATOM 397 CB LEU A 29 -5.463 -8.963 -3.939 1.00 0.00 C ATOM 398 CG LEU A 29 -5.634 -10.475 -4.087 1.00 0.00 C ATOM 399 CD1 LEU A 29 -7.094 -10.866 -3.919 1.00 0.00 C ATOM 400 CD2 LEU A 29 -5.107 -10.941 -5.437 1.00 0.00 C ATOM 0 H LEU A 29 -3.772 -9.856 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.585 -8.493 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.981 -8.646 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.961 -8.477 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.056 -10.966 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.196 -11.946 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.439 -10.566 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.694 -10.366 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.237 -12.020 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.658 -10.443 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.048 -10.695 -5.519 1.00 0.00 H new ATOM 412 N VAL A 30 -3.587 -6.101 -4.276 1.00 0.00 N ATOM 413 CA VAL A 30 -3.526 -4.682 -3.945 1.00 0.00 C ATOM 414 C VAL A 30 -4.813 -4.219 -3.273 1.00 0.00 C ATOM 415 O VAL A 30 -4.806 -3.284 -2.472 1.00 0.00 O ATOM 416 CB VAL A 30 -3.277 -3.824 -5.200 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.093 -2.363 -4.819 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.069 -4.339 -5.967 1.00 0.00 C ATOM 0 H VAL A 30 -3.286 -6.326 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.693 -4.553 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.149 -3.899 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.918 -1.772 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.990 -2.002 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.238 -2.266 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.908 -3.721 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.187 -4.296 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.245 -5.370 -6.273 1.00 0.00 H new ATOM 428 N SER A 31 -5.918 -4.879 -3.604 1.00 0.00 N ATOM 429 CA SER A 31 -7.215 -4.533 -3.034 1.00 0.00 C ATOM 430 C SER A 31 -7.198 -4.679 -1.515 1.00 0.00 C ATOM 431 O SER A 31 -7.732 -3.838 -0.792 1.00 0.00 O ATOM 432 CB SER A 31 -8.311 -5.418 -3.631 1.00 0.00 C ATOM 433 OG SER A 31 -8.124 -6.775 -3.268 1.00 0.00 O ATOM 0 H SER A 31 -5.941 -5.656 -4.264 1.00 0.00 H new ATOM 0 HA SER A 31 -7.425 -3.492 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.287 -5.077 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.307 -5.325 -4.717 1.00 0.00 H new ATOM 0 HG SER A 31 -8.838 -7.320 -3.660 1.00 0.00 H new ATOM 439 N THR A 32 -6.580 -5.755 -1.038 1.00 0.00 N ATOM 440 CA THR A 32 -6.494 -6.014 0.394 1.00 0.00 C ATOM 441 C THR A 32 -5.328 -5.257 1.020 1.00 0.00 C ATOM 442 O THR A 32 -5.459 -4.679 2.100 1.00 0.00 O ATOM 443 CB THR A 32 -6.329 -7.518 0.683 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.404 -8.253 0.087 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.298 -7.781 2.181 1.00 0.00 C ATOM 0 H THR A 32 -6.132 -6.461 -1.622 1.00 0.00 H new ATOM 0 HA THR A 32 -7.428 -5.667 0.835 1.00 0.00 H new ATOM 0 HB THR A 32 -5.383 -7.846 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.290 -9.208 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.181 -8.850 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.461 -7.244 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.230 -7.438 2.630 1.00 0.00 H new ATOM 453 N LEU A 33 -4.189 -5.263 0.337 1.00 0.00 N ATOM 454 CA LEU A 33 -3.000 -4.575 0.826 1.00 0.00 C ATOM 455 C LEU A 33 -3.323 -3.134 1.209 1.00 0.00 C ATOM 456 O LEU A 33 -2.653 -2.540 2.054 1.00 0.00 O ATOM 457 CB LEU A 33 -1.900 -4.598 -0.237 1.00 0.00 C ATOM 458 CG LEU A 33 -1.200 -5.940 -0.449 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.629 -6.027 -1.856 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.103 -6.140 0.587 1.00 0.00 C ATOM 0 H LEU A 33 -4.064 -5.737 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.648 -5.098 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.333 -4.283 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.147 -3.857 0.032 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.936 -6.735 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.134 -6.989 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.436 -5.930 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.093 -5.224 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.384 -7.101 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.632 -5.340 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.539 -6.123 1.586 1.00 0.00 H new ATOM 472 N LYS A 34 -4.355 -2.579 0.584 1.00 0.00 N ATOM 473 CA LYS A 34 -4.771 -1.209 0.861 1.00 0.00 C ATOM 474 C LYS A 34 -5.672 -1.152 2.091 1.00 0.00 C ATOM 475 O LYS A 34 -5.477 -0.318 2.975 1.00 0.00 O ATOM 476 CB LYS A 34 -5.503 -0.622 -0.348 1.00 0.00 C ATOM 477 CG LYS A 34 -4.587 -0.304 -1.517 1.00 0.00 C ATOM 478 CD LYS A 34 -5.347 -0.292 -2.833 1.00 0.00 C ATOM 479 CE LYS A 34 -4.646 0.567 -3.874 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.520 0.839 -5.049 1.00 0.00 N ATOM 0 H LYS A 34 -4.919 -3.057 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.877 -0.618 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.267 -1.326 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.019 0.289 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.117 0.666 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.787 -1.042 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.445 -1.311 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.356 0.085 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.342 1.511 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.737 0.066 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.006 1.427 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.789 -0.060 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.376 1.340 -4.736 1.00 0.00 H new ATOM 494 N GLN A 35 -6.656 -2.043 2.140 1.00 0.00 N ATOM 495 CA GLN A 35 -7.586 -2.094 3.262 1.00 0.00 C ATOM 496 C GLN A 35 -6.835 -2.142 4.589 1.00 0.00 C ATOM 497 O GLN A 35 -7.098 -1.347 5.492 1.00 0.00 O ATOM 498 CB GLN A 35 -8.504 -3.311 3.137 1.00 0.00 C ATOM 499 CG GLN A 35 -9.603 -3.140 2.100 1.00 0.00 C ATOM 500 CD GLN A 35 -10.709 -4.166 2.248 1.00 0.00 C ATOM 501 OE1 GLN A 35 -11.186 -4.427 3.353 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.124 -4.754 1.132 1.00 0.00 N ATOM 0 H GLN A 35 -6.830 -2.740 1.416 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.192 -1.188 3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.904 -4.183 2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.959 -3.514 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.027 -2.139 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.171 -3.218 1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.700 -4.507 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.866 -5.452 1.169 1.00 0.00 H new ATOM 511 N LEU A 36 -5.901 -3.080 4.700 1.00 0.00 N ATOM 512 CA LEU A 36 -5.112 -3.233 5.917 1.00 0.00 C ATOM 513 C LEU A 36 -4.673 -1.876 6.456 1.00 0.00 C ATOM 514 O LEU A 36 -4.665 -1.649 7.666 1.00 0.00 O ATOM 515 CB LEU A 36 -3.886 -4.108 5.647 1.00 0.00 C ATOM 516 CG LEU A 36 -4.164 -5.585 5.367 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.030 -6.198 4.560 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.367 -6.346 6.669 1.00 0.00 C ATOM 0 H LEU A 36 -5.672 -3.746 3.962 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.738 -3.716 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.348 -3.692 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.220 -4.041 6.507 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.080 -5.658 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.245 -7.250 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.932 -5.671 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.098 -6.114 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.564 -7.396 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.469 -6.265 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.214 -5.923 7.209 1.00 0.00 H new ATOM 530 N VAL A 37 -4.310 -0.974 5.549 1.00 0.00 N ATOM 531 CA VAL A 37 -3.873 0.363 5.933 1.00 0.00 C ATOM 532 C VAL A 37 -5.065 1.264 6.238 1.00 0.00 C ATOM 533 O VAL A 37 -5.017 2.085 7.154 1.00 0.00 O ATOM 534 CB VAL A 37 -3.021 1.014 4.827 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.688 2.454 5.188 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.754 0.208 4.588 1.00 0.00 C ATOM 0 H VAL A 37 -4.310 -1.145 4.543 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.266 0.252 6.831 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.599 1.021 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.086 2.898 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.611 3.023 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.129 2.475 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.164 0.682 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.170 0.167 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.019 -0.804 4.281 1.00 0.00 H new ATOM 546 N SER A 38 -6.134 1.105 5.464 1.00 0.00 N ATOM 547 CA SER A 38 -7.338 1.906 5.649 1.00 0.00 C ATOM 548 C SER A 38 -7.705 2.002 7.127 1.00 0.00 C ATOM 549 O SER A 38 -7.950 3.090 7.647 1.00 0.00 O ATOM 550 CB SER A 38 -8.503 1.305 4.861 1.00 0.00 C ATOM 551 OG SER A 38 -9.091 0.224 5.565 1.00 0.00 O ATOM 0 H SER A 38 -6.191 0.429 4.703 1.00 0.00 H new ATOM 0 HA SER A 38 -7.137 2.910 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.254 2.073 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.150 0.961 3.889 1.00 0.00 H new ATOM 0 HG SER A 38 -8.439 -0.503 5.652 1.00 0.00 H new ATOM 557 N GLU A 39 -7.740 0.854 7.797 1.00 0.00 N ATOM 558 CA GLU A 39 -8.077 0.809 9.215 1.00 0.00 C ATOM 559 C GLU A 39 -6.958 1.409 10.061 1.00 0.00 C ATOM 560 O GLU A 39 -7.209 2.184 10.984 1.00 0.00 O ATOM 561 CB GLU A 39 -8.344 -0.633 9.652 1.00 0.00 C ATOM 562 CG GLU A 39 -7.159 -1.562 9.444 1.00 0.00 C ATOM 563 CD GLU A 39 -7.515 -3.019 9.662 1.00 0.00 C ATOM 564 OE1 GLU A 39 -8.445 -3.511 8.989 1.00 0.00 O ATOM 565 OE2 GLU A 39 -6.862 -3.669 10.505 1.00 0.00 O ATOM 0 H GLU A 39 -7.539 -0.056 7.381 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.980 1.401 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.619 -0.639 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.199 -1.019 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.774 -1.433 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.358 -1.281 10.128 1.00 0.00 H new ATOM 572 N LYS A 40 -5.721 1.045 9.739 1.00 0.00 N ATOM 573 CA LYS A 40 -4.562 1.547 10.467 1.00 0.00 C ATOM 574 C LYS A 40 -4.666 3.053 10.685 1.00 0.00 C ATOM 575 O LYS A 40 -4.647 3.529 11.821 1.00 0.00 O ATOM 576 CB LYS A 40 -3.275 1.219 9.706 1.00 0.00 C ATOM 577 CG LYS A 40 -2.732 -0.168 9.999 1.00 0.00 C ATOM 578 CD LYS A 40 -1.905 -0.186 11.274 1.00 0.00 C ATOM 579 CE LYS A 40 -0.880 -1.310 11.258 1.00 0.00 C ATOM 580 NZ LYS A 40 0.248 -1.044 12.193 1.00 0.00 N ATOM 0 H LYS A 40 -5.496 0.404 8.978 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.536 1.058 11.441 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.463 1.308 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.515 1.958 9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.559 -0.872 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.120 -0.504 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.396 0.770 11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.564 -0.305 12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.365 -2.248 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.492 -1.434 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.925 -1.832 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.726 -0.163 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.119 -0.951 13.162 1.00 0.00 H new ATOM 594 N LEU A 41 -4.778 3.798 9.591 1.00 0.00 N ATOM 595 CA LEU A 41 -4.887 5.251 9.663 1.00 0.00 C ATOM 596 C LEU A 41 -6.348 5.690 9.626 1.00 0.00 C ATOM 597 O LEU A 41 -6.647 6.883 9.619 1.00 0.00 O ATOM 598 CB LEU A 41 -4.119 5.898 8.508 1.00 0.00 C ATOM 599 CG LEU A 41 -2.616 5.621 8.464 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.049 5.975 7.098 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.898 6.396 9.559 1.00 0.00 C ATOM 0 H LEU A 41 -4.796 3.420 8.644 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.452 5.577 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.559 5.558 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.268 6.977 8.558 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.457 4.557 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.978 5.772 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.542 5.375 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.220 7.032 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.829 6.186 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.065 7.464 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.285 6.094 10.532 1.00 0.00 H new ATOM 613 N ASN A 42 -7.252 4.716 9.605 1.00 0.00 N ATOM 614 CA ASN A 42 -8.682 5.002 9.571 1.00 0.00 C ATOM 615 C ASN A 42 -9.036 5.864 8.363 1.00 0.00 C ATOM 616 O ASN A 42 -9.886 6.751 8.447 1.00 0.00 O ATOM 617 CB ASN A 42 -9.113 5.707 10.858 1.00 0.00 C ATOM 618 CG ASN A 42 -10.601 5.572 11.121 1.00 0.00 C ATOM 619 OD1 ASN A 42 -11.293 4.802 10.455 1.00 0.00 O ATOM 620 ND2 ASN A 42 -11.100 6.325 12.094 1.00 0.00 N ATOM 0 H ASN A 42 -7.020 3.723 9.611 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.215 4.055 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.559 5.291 11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.852 6.763 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.095 6.279 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.489 6.949 12.620 1.00 0.00 H new ATOM 627 N VAL A 43 -8.378 5.597 7.239 1.00 0.00 N ATOM 628 CA VAL A 43 -8.623 6.347 6.013 1.00 0.00 C ATOM 629 C VAL A 43 -9.273 5.467 4.951 1.00 0.00 C ATOM 630 O VAL A 43 -8.912 4.304 4.767 1.00 0.00 O ATOM 631 CB VAL A 43 -7.319 6.938 5.446 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.582 7.642 4.123 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.686 7.891 6.449 1.00 0.00 C ATOM 0 H VAL A 43 -7.671 4.867 7.152 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.300 7.161 6.271 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.620 6.122 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.649 8.053 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.988 6.929 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.298 8.449 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.765 8.299 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.379 8.704 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.460 7.353 7.369 1.00 0.00 H new ATOM 643 N PRO A 44 -10.255 6.032 4.234 1.00 0.00 N ATOM 644 CA PRO A 44 -10.976 5.316 3.177 1.00 0.00 C ATOM 645 C PRO A 44 -10.102 5.053 1.955 1.00 0.00 C ATOM 646 O PRO A 44 -9.494 5.971 1.404 1.00 0.00 O ATOM 647 CB PRO A 44 -12.120 6.269 2.820 1.00 0.00 C ATOM 648 CG PRO A 44 -11.620 7.620 3.199 1.00 0.00 C ATOM 649 CD PRO A 44 -10.737 7.413 4.399 1.00 0.00 C ATOM 0 HA PRO A 44 -11.309 4.332 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.360 6.219 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.030 6.017 3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.064 8.075 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.447 8.290 3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.913 8.126 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.289 7.537 5.330 1.00 0.00 H new ATOM 657 N VAL A 45 -10.043 3.793 1.536 1.00 0.00 N ATOM 658 CA VAL A 45 -9.244 3.409 0.378 1.00 0.00 C ATOM 659 C VAL A 45 -9.660 4.195 -0.861 1.00 0.00 C ATOM 660 O VAL A 45 -8.832 4.510 -1.715 1.00 0.00 O ATOM 661 CB VAL A 45 -9.371 1.903 0.083 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.240 1.439 -0.822 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.387 1.107 1.379 1.00 0.00 C ATOM 0 H VAL A 45 -10.539 3.021 1.981 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.206 3.638 0.619 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.314 1.730 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.346 0.372 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.278 1.988 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.284 1.624 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.477 0.045 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.461 1.284 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.234 1.421 1.989 1.00 0.00 H new ATOM 673 N ARG A 46 -10.948 4.508 -0.952 1.00 0.00 N ATOM 674 CA ARG A 46 -11.475 5.256 -2.087 1.00 0.00 C ATOM 675 C ARG A 46 -10.741 6.584 -2.250 1.00 0.00 C ATOM 676 O ARG A 46 -10.807 7.214 -3.305 1.00 0.00 O ATOM 677 CB ARG A 46 -12.973 5.507 -1.909 1.00 0.00 C ATOM 678 CG ARG A 46 -13.815 4.243 -1.975 1.00 0.00 C ATOM 679 CD ARG A 46 -14.128 3.857 -3.412 1.00 0.00 C ATOM 680 NE ARG A 46 -15.132 2.799 -3.488 1.00 0.00 N ATOM 681 CZ ARG A 46 -14.847 1.506 -3.380 1.00 0.00 C ATOM 682 NH1 ARG A 46 -13.595 1.114 -3.191 1.00 0.00 N ATOM 683 NH2 ARG A 46 -15.816 0.603 -3.459 1.00 0.00 N ATOM 0 H ARG A 46 -11.646 4.255 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.318 4.661 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.139 5.994 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.311 6.199 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.286 3.426 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.745 4.395 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.483 4.734 -3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.214 3.526 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.105 3.068 -3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.848 1.806 -3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.379 0.121 -3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.781 0.901 -3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.596 -0.390 -3.376 1.00 0.00 H new ATOM 697 N GLN A 47 -10.044 7.002 -1.198 1.00 0.00 N ATOM 698 CA GLN A 47 -9.300 8.256 -1.225 1.00 0.00 C ATOM 699 C GLN A 47 -7.799 7.996 -1.289 1.00 0.00 C ATOM 700 O GLN A 47 -7.129 8.407 -2.237 1.00 0.00 O ATOM 701 CB GLN A 47 -9.632 9.097 0.009 1.00 0.00 C ATOM 702 CG GLN A 47 -10.981 9.792 -0.074 1.00 0.00 C ATOM 703 CD GLN A 47 -11.051 11.035 0.791 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.330 10.958 1.988 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.796 12.191 0.188 1.00 0.00 N ATOM 0 H GLN A 47 -9.979 6.491 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.594 8.805 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.617 8.456 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.854 9.848 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.183 10.063 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.763 9.097 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.569 12.208 -0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.827 13.061 0.719 1.00 0.00 H new ATOM 714 N GLN A 48 -7.277 7.312 -0.276 1.00 0.00 N ATOM 715 CA GLN A 48 -5.854 6.999 -0.218 1.00 0.00 C ATOM 716 C GLN A 48 -5.444 6.112 -1.389 1.00 0.00 C ATOM 717 O GLN A 48 -6.154 5.173 -1.747 1.00 0.00 O ATOM 718 CB GLN A 48 -5.516 6.307 1.104 1.00 0.00 C ATOM 719 CG GLN A 48 -6.268 5.003 1.318 1.00 0.00 C ATOM 720 CD GLN A 48 -5.753 4.222 2.510 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.927 4.713 3.279 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.240 2.997 2.671 1.00 0.00 N ATOM 0 H GLN A 48 -7.818 6.964 0.516 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.299 7.935 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.445 6.109 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.740 6.985 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.327 5.218 1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.184 4.388 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.924 2.629 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.930 2.424 3.456 1.00 0.00 H new ATOM 731 N ARG A 49 -4.294 6.418 -1.982 1.00 0.00 N ATOM 732 CA ARG A 49 -3.790 5.650 -3.114 1.00 0.00 C ATOM 733 C ARG A 49 -2.376 5.146 -2.842 1.00 0.00 C ATOM 734 O ARG A 49 -1.591 5.805 -2.159 1.00 0.00 O ATOM 735 CB ARG A 49 -3.804 6.503 -4.383 1.00 0.00 C ATOM 736 CG ARG A 49 -3.757 5.688 -5.665 1.00 0.00 C ATOM 737 CD ARG A 49 -4.247 6.496 -6.857 1.00 0.00 C ATOM 738 NE ARG A 49 -4.164 5.738 -8.103 1.00 0.00 N ATOM 739 CZ ARG A 49 -4.473 6.243 -9.292 1.00 0.00 C ATOM 740 NH1 ARG A 49 -4.884 7.500 -9.396 1.00 0.00 N ATOM 741 NH2 ARG A 49 -4.372 5.491 -10.380 1.00 0.00 N ATOM 0 H ARG A 49 -3.694 7.192 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.443 4.789 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.703 7.119 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.952 7.183 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.736 5.352 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.371 4.795 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.279 6.803 -6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.654 7.406 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.852 4.768 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.963 8.081 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.121 7.885 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.057 4.524 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.610 5.880 -11.293 1.00 0.00 H new ATOM 755 N LEU A 50 -2.057 3.974 -3.380 1.00 0.00 N ATOM 756 CA LEU A 50 -0.737 3.381 -3.196 1.00 0.00 C ATOM 757 C LEU A 50 0.157 3.659 -4.399 1.00 0.00 C ATOM 758 O LEU A 50 -0.263 3.509 -5.547 1.00 0.00 O ATOM 759 CB LEU A 50 -0.861 1.872 -2.976 1.00 0.00 C ATOM 760 CG LEU A 50 -1.043 1.418 -1.527 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.438 -0.050 -1.474 1.00 0.00 C ATOM 762 CD2 LEU A 50 0.230 1.658 -0.729 1.00 0.00 C ATOM 0 H LEU A 50 -2.695 3.415 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.281 3.834 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.707 1.508 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.032 1.392 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.845 2.006 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.563 -0.356 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.376 -0.194 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.658 -0.654 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.082 1.329 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.051 1.096 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.471 2.721 -0.739 1.00 0.00 H new ATOM 774 N LEU A 51 1.394 4.063 -4.129 1.00 0.00 N ATOM 775 CA LEU A 51 2.350 4.361 -5.190 1.00 0.00 C ATOM 776 C LEU A 51 3.685 3.669 -4.929 1.00 0.00 C ATOM 777 O LEU A 51 4.194 3.681 -3.808 1.00 0.00 O ATOM 778 CB LEU A 51 2.559 5.871 -5.306 1.00 0.00 C ATOM 779 CG LEU A 51 1.370 6.675 -5.833 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.703 8.158 -5.872 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.963 6.182 -7.214 1.00 0.00 C ATOM 0 H LEU A 51 1.758 4.192 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 51 1.943 3.984 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.826 6.257 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.412 6.050 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 51 0.529 6.530 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.845 8.714 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.945 8.503 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.558 8.322 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.115 6.765 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.800 6.296 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.681 5.131 -7.157 1.00 0.00 H new ATOM 793 N PHE A 52 4.248 3.069 -5.973 1.00 0.00 N ATOM 794 CA PHE A 52 5.525 2.374 -5.857 1.00 0.00 C ATOM 795 C PHE A 52 6.589 3.044 -6.721 1.00 0.00 C ATOM 796 O PHE A 52 6.629 2.855 -7.937 1.00 0.00 O ATOM 797 CB PHE A 52 5.370 0.907 -6.265 1.00 0.00 C ATOM 798 CG PHE A 52 6.639 0.114 -6.144 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.323 0.057 -4.940 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.148 -0.575 -7.233 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.492 -0.672 -4.826 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.316 -1.306 -7.124 1.00 0.00 C ATOM 803 CZ PHE A 52 8.988 -1.356 -5.918 1.00 0.00 C ATOM 0 H PHE A 52 3.841 3.050 -6.908 1.00 0.00 H new ATOM 0 HA PHE A 52 5.844 2.423 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.602 0.445 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.019 0.860 -7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.939 0.588 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.626 -0.540 -8.178 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.017 -0.706 -3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.703 -1.838 -7.981 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.899 -1.929 -5.830 1.00 0.00 H new ATOM 813 N LYS A 53 7.451 3.829 -6.083 1.00 0.00 N ATOM 814 CA LYS A 53 8.518 4.528 -6.790 1.00 0.00 C ATOM 815 C LYS A 53 7.950 5.401 -7.905 1.00 0.00 C ATOM 816 O LYS A 53 8.628 5.682 -8.892 1.00 0.00 O ATOM 817 CB LYS A 53 9.516 3.524 -7.372 1.00 0.00 C ATOM 818 CG LYS A 53 10.357 2.824 -6.319 1.00 0.00 C ATOM 819 CD LYS A 53 11.717 2.424 -6.867 1.00 0.00 C ATOM 820 CE LYS A 53 12.491 1.574 -5.872 1.00 0.00 C ATOM 821 NZ LYS A 53 13.005 2.385 -4.733 1.00 0.00 N ATOM 0 H LYS A 53 7.431 3.997 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 53 9.033 5.170 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.972 2.775 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.176 4.042 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.489 3.483 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.832 1.938 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.587 1.870 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.291 3.319 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.846 0.782 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.326 1.090 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.527 1.770 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.640 3.126 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.207 2.827 -4.233 1.00 0.00 H new ATOM 835 N GLY A 54 6.702 5.828 -7.740 1.00 0.00 N ATOM 836 CA GLY A 54 6.065 6.665 -8.739 1.00 0.00 C ATOM 837 C GLY A 54 5.096 5.892 -9.611 1.00 0.00 C ATOM 838 O GLY A 54 4.471 6.456 -10.510 1.00 0.00 O ATOM 0 H GLY A 54 6.120 5.609 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.534 7.477 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.830 7.121 -9.367 1.00 0.00 H new ATOM 842 N LYS A 55 4.970 4.596 -9.348 1.00 0.00 N ATOM 843 CA LYS A 55 4.070 3.743 -10.115 1.00 0.00 C ATOM 844 C LYS A 55 2.666 3.757 -9.518 1.00 0.00 C ATOM 845 O LYS A 55 2.499 3.840 -8.302 1.00 0.00 O ATOM 846 CB LYS A 55 4.604 2.309 -10.155 1.00 0.00 C ATOM 847 CG LYS A 55 3.810 1.390 -11.067 1.00 0.00 C ATOM 848 CD LYS A 55 4.346 1.417 -12.489 1.00 0.00 C ATOM 849 CE LYS A 55 3.318 0.895 -13.481 1.00 0.00 C ATOM 850 NZ LYS A 55 3.962 0.303 -14.687 1.00 0.00 N ATOM 0 H LYS A 55 5.480 4.113 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 55 4.018 4.134 -11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.643 2.326 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.597 1.899 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.849 0.371 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.762 1.691 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.625 2.437 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.251 0.813 -12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.694 0.144 -12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.659 1.709 -13.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.228 -0.041 -15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.537 1.027 -15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.571 -0.490 -14.401 1.00 0.00 H new ATOM 864 N ALA A 56 1.660 3.673 -10.382 1.00 0.00 N ATOM 865 CA ALA A 56 0.271 3.673 -9.940 1.00 0.00 C ATOM 866 C ALA A 56 -0.274 2.252 -9.843 1.00 0.00 C ATOM 867 O ALA A 56 -0.441 1.570 -10.855 1.00 0.00 O ATOM 868 CB ALA A 56 -0.584 4.505 -10.885 1.00 0.00 C ATOM 0 H ALA A 56 1.781 3.604 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 56 0.232 4.118 -8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.619 4.496 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.216 5.531 -10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.530 4.085 -11.889 1.00 0.00 H new ATOM 874 N LEU A 57 -0.549 1.811 -8.621 1.00 0.00 N ATOM 875 CA LEU A 57 -1.075 0.470 -8.392 1.00 0.00 C ATOM 876 C LEU A 57 -2.599 0.464 -8.460 1.00 0.00 C ATOM 877 O LEU A 57 -3.255 1.383 -7.973 1.00 0.00 O ATOM 878 CB LEU A 57 -0.612 -0.055 -7.031 1.00 0.00 C ATOM 879 CG LEU A 57 0.818 0.303 -6.625 1.00 0.00 C ATOM 880 CD1 LEU A 57 1.359 -0.711 -5.629 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.717 0.381 -7.850 1.00 0.00 C ATOM 0 H LEU A 57 -0.417 2.362 -7.773 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.692 -0.183 -9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.291 0.324 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.707 -1.141 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 57 0.805 1.282 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.378 -0.440 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.730 -0.718 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.358 -1.702 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.731 0.637 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.725 -0.584 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.341 1.146 -8.529 1.00 0.00 H new ATOM 893 N ALA A 58 -3.154 -0.580 -9.067 1.00 0.00 N ATOM 894 CA ALA A 58 -4.600 -0.709 -9.195 1.00 0.00 C ATOM 895 C ALA A 58 -5.133 -1.830 -8.309 1.00 0.00 C ATOM 896 O ALA A 58 -4.426 -2.796 -8.022 1.00 0.00 O ATOM 897 CB ALA A 58 -4.981 -0.955 -10.647 1.00 0.00 C ATOM 0 H ALA A 58 -2.624 -1.349 -9.478 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.053 0.226 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.064 -1.049 -10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.643 -0.119 -11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.510 -1.874 -10.996 1.00 0.00 H new ATOM 903 N ASP A 59 -6.382 -1.694 -7.878 1.00 0.00 N ATOM 904 CA ASP A 59 -7.009 -2.696 -7.024 1.00 0.00 C ATOM 905 C ASP A 59 -7.333 -3.959 -7.816 1.00 0.00 C ATOM 906 O ASP A 59 -8.042 -3.910 -8.820 1.00 0.00 O ATOM 907 CB ASP A 59 -8.284 -2.134 -6.393 1.00 0.00 C ATOM 908 CG ASP A 59 -9.508 -2.368 -7.257 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.997 -3.516 -7.294 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.977 -1.402 -7.895 1.00 0.00 O ATOM 0 H ASP A 59 -6.980 -0.900 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.305 -2.955 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.437 -2.596 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.161 -1.064 -6.224 1.00 0.00 H new ATOM 915 N GLY A 60 -6.805 -5.091 -7.357 1.00 0.00 N ATOM 916 CA GLY A 60 -7.048 -6.350 -8.036 1.00 0.00 C ATOM 917 C GLY A 60 -5.767 -7.096 -8.350 1.00 0.00 C ATOM 918 O GLY A 60 -5.615 -8.264 -7.990 1.00 0.00 O ATOM 0 H GLY A 60 -6.214 -5.158 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.687 -6.977 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.591 -6.161 -8.962 1.00 0.00 H new ATOM 922 N LYS A 61 -4.842 -6.422 -9.024 1.00 0.00 N ATOM 923 CA LYS A 61 -3.566 -7.027 -9.388 1.00 0.00 C ATOM 924 C LYS A 61 -2.785 -7.439 -8.144 1.00 0.00 C ATOM 925 O LYS A 61 -3.279 -7.322 -7.022 1.00 0.00 O ATOM 926 CB LYS A 61 -2.736 -6.052 -10.225 1.00 0.00 C ATOM 927 CG LYS A 61 -3.331 -5.764 -11.592 1.00 0.00 C ATOM 928 CD LYS A 61 -2.254 -5.439 -12.613 1.00 0.00 C ATOM 929 CE LYS A 61 -2.834 -4.741 -13.833 1.00 0.00 C ATOM 930 NZ LYS A 61 -3.313 -5.714 -14.854 1.00 0.00 N ATOM 0 H LYS A 61 -4.952 -5.455 -9.330 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.771 -7.920 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.632 -5.115 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.733 -6.459 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.904 -6.628 -11.929 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.027 -4.928 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.497 -4.803 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.755 -6.358 -12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.661 -4.100 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.077 -4.094 -14.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.701 -5.199 -15.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.519 -6.309 -15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.054 -6.315 -14.440 1.00 0.00 H new ATOM 944 N ARG A 62 -1.563 -7.919 -8.350 1.00 0.00 N ATOM 945 CA ARG A 62 -0.714 -8.347 -7.245 1.00 0.00 C ATOM 946 C ARG A 62 0.643 -7.651 -7.301 1.00 0.00 C ATOM 947 O ARG A 62 1.251 -7.538 -8.366 1.00 0.00 O ATOM 948 CB ARG A 62 -0.522 -9.865 -7.280 1.00 0.00 C ATOM 949 CG ARG A 62 -1.800 -10.646 -7.018 1.00 0.00 C ATOM 950 CD ARG A 62 -1.675 -12.089 -7.481 1.00 0.00 C ATOM 951 NE ARG A 62 -0.335 -12.623 -7.255 1.00 0.00 N ATOM 952 CZ ARG A 62 0.102 -13.760 -7.784 1.00 0.00 C ATOM 953 NH1 ARG A 62 -0.691 -14.479 -8.566 1.00 0.00 N ATOM 954 NH2 ARG A 62 1.336 -14.180 -7.531 1.00 0.00 N ATOM 0 H ARG A 62 -1.139 -8.021 -9.272 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.207 -8.071 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.125 -10.150 -8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.224 -10.146 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.030 -10.623 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.632 -10.168 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.404 -12.704 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.916 -12.151 -8.542 1.00 0.00 H new ATOM 0 HE ARG A 62 0.300 -12.094 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.639 -14.159 -8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.353 -15.352 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.949 -13.629 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.671 -15.053 -7.938 1.00 0.00 H new ATOM 968 N LEU A 63 1.112 -7.187 -6.148 1.00 0.00 N ATOM 969 CA LEU A 63 2.397 -6.501 -6.065 1.00 0.00 C ATOM 970 C LEU A 63 3.475 -7.273 -6.818 1.00 0.00 C ATOM 971 O LEU A 63 4.353 -6.680 -7.445 1.00 0.00 O ATOM 972 CB LEU A 63 2.808 -6.323 -4.602 1.00 0.00 C ATOM 973 CG LEU A 63 1.818 -5.570 -3.713 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.307 -5.542 -2.274 1.00 0.00 C ATOM 975 CD2 LEU A 63 1.603 -4.156 -4.233 1.00 0.00 C ATOM 0 H LEU A 63 0.622 -7.273 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 63 2.289 -5.520 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.976 -7.310 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.762 -5.797 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 63 0.863 -6.095 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.589 -5.002 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.408 -6.562 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.274 -5.042 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.896 -3.635 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.553 -3.621 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.206 -4.198 -5.247 1.00 0.00 H new ATOM 987 N SER A 64 3.401 -8.599 -6.754 1.00 0.00 N ATOM 988 CA SER A 64 4.373 -9.452 -7.428 1.00 0.00 C ATOM 989 C SER A 64 4.445 -9.121 -8.916 1.00 0.00 C ATOM 990 O SER A 64 5.510 -9.196 -9.529 1.00 0.00 O ATOM 991 CB SER A 64 4.007 -10.925 -7.239 1.00 0.00 C ATOM 992 OG SER A 64 2.685 -11.183 -7.678 1.00 0.00 O ATOM 0 H SER A 64 2.678 -9.105 -6.242 1.00 0.00 H new ATOM 0 HA SER A 64 5.352 -9.268 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.706 -11.551 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.103 -11.195 -6.187 1.00 0.00 H new ATOM 0 HG SER A 64 2.658 -12.043 -8.147 1.00 0.00 H new ATOM 998 N ASP A 65 3.304 -8.756 -9.490 1.00 0.00 N ATOM 999 CA ASP A 65 3.237 -8.412 -10.906 1.00 0.00 C ATOM 1000 C ASP A 65 3.812 -7.022 -11.156 1.00 0.00 C ATOM 1001 O ASP A 65 4.097 -6.652 -12.295 1.00 0.00 O ATOM 1002 CB ASP A 65 1.791 -8.476 -11.400 1.00 0.00 C ATOM 1003 CG ASP A 65 1.331 -9.897 -11.661 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.821 -10.511 -12.631 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.479 -10.395 -10.895 1.00 0.00 O ATOM 0 H ASP A 65 2.413 -8.691 -8.997 1.00 0.00 H new ATOM 0 HA ASP A 65 3.834 -9.137 -11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.137 -8.015 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.697 -7.893 -12.316 1.00 0.00 H new ATOM 1010 N TYR A 66 3.978 -6.255 -10.084 1.00 0.00 N ATOM 1011 CA TYR A 66 4.515 -4.903 -10.187 1.00 0.00 C ATOM 1012 C TYR A 66 6.025 -4.899 -9.969 1.00 0.00 C ATOM 1013 O TYR A 66 6.644 -3.841 -9.854 1.00 0.00 O ATOM 1014 CB TYR A 66 3.838 -3.984 -9.169 1.00 0.00 C ATOM 1015 CG TYR A 66 2.441 -3.564 -9.567 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.232 -2.462 -10.387 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.330 -4.270 -9.123 1.00 0.00 C ATOM 1018 CE1 TYR A 66 0.958 -2.075 -10.752 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.052 -3.891 -9.484 1.00 0.00 C ATOM 1020 CZ TYR A 66 -0.129 -2.792 -10.298 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.401 -2.410 -10.660 1.00 0.00 O ATOM 0 H TYR A 66 3.748 -6.546 -9.134 1.00 0.00 H new ATOM 0 HA TYR A 66 4.311 -4.533 -11.192 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.795 -4.492 -8.206 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.451 -3.093 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.081 -1.898 -10.745 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.468 -5.130 -8.485 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.813 -1.215 -11.390 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.801 -4.452 -9.131 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.029 -3.137 -10.467 1.00 0.00 H new ATOM 1031 N SER A 67 6.611 -6.090 -9.913 1.00 0.00 N ATOM 1032 CA SER A 67 8.048 -6.226 -9.706 1.00 0.00 C ATOM 1033 C SER A 67 8.467 -5.599 -8.379 1.00 0.00 C ATOM 1034 O SER A 67 9.545 -5.014 -8.270 1.00 0.00 O ATOM 1035 CB SER A 67 8.815 -5.572 -10.856 1.00 0.00 C ATOM 1036 OG SER A 67 8.192 -5.838 -12.101 1.00 0.00 O ATOM 0 H SER A 67 6.113 -6.975 -10.008 1.00 0.00 H new ATOM 0 HA SER A 67 8.287 -7.289 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.869 -4.495 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.840 -5.944 -10.872 1.00 0.00 H new ATOM 0 HG SER A 67 8.700 -5.408 -12.820 1.00 0.00 H new ATOM 1042 N ILE A 68 7.607 -5.726 -7.374 1.00 0.00 N ATOM 1043 CA ILE A 68 7.887 -5.173 -6.055 1.00 0.00 C ATOM 1044 C ILE A 68 8.536 -6.215 -5.149 1.00 0.00 C ATOM 1045 O ILE A 68 8.119 -7.372 -5.119 1.00 0.00 O ATOM 1046 CB ILE A 68 6.606 -4.650 -5.380 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.067 -3.432 -6.135 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.878 -4.299 -3.925 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.613 -3.135 -5.842 1.00 0.00 C ATOM 0 H ILE A 68 6.711 -6.207 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 68 8.576 -4.341 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 68 5.852 -5.436 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.667 -2.560 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.187 -3.596 -7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.962 -3.931 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.221 -5.187 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.646 -3.527 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.299 -2.260 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.002 -3.992 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.489 -2.939 -4.777 1.00 0.00 H new ATOM 1061 N GLY A 69 9.558 -5.794 -4.411 1.00 0.00 N ATOM 1062 CA GLY A 69 10.248 -6.702 -3.513 1.00 0.00 C ATOM 1063 C GLY A 69 9.939 -6.422 -2.055 1.00 0.00 C ATOM 1064 O GLY A 69 9.145 -5.540 -1.725 1.00 0.00 O ATOM 0 H GLY A 69 9.921 -4.841 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.965 -7.728 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.323 -6.622 -3.675 1.00 0.00 H new ATOM 1068 N PRO A 70 10.574 -7.185 -1.154 1.00 0.00 N ATOM 1069 CA PRO A 70 10.378 -7.034 0.291 1.00 0.00 C ATOM 1070 C PRO A 70 10.975 -5.736 0.824 1.00 0.00 C ATOM 1071 O PRO A 70 11.722 -5.053 0.125 1.00 0.00 O ATOM 1072 CB PRO A 70 11.113 -8.242 0.877 1.00 0.00 C ATOM 1073 CG PRO A 70 12.142 -8.591 -0.143 1.00 0.00 C ATOM 1074 CD PRO A 70 11.533 -8.255 -1.476 1.00 0.00 C ATOM 0 HA PRO A 70 9.322 -6.991 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.572 -7.999 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.431 -9.074 1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.060 -8.027 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.403 -9.648 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.286 -7.918 -2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.037 -9.118 -1.920 1.00 0.00 H new ATOM 1082 N ASN A 71 10.641 -5.403 2.066 1.00 0.00 N ATOM 1083 CA ASN A 71 11.146 -4.186 2.693 1.00 0.00 C ATOM 1084 C ASN A 71 11.066 -3.005 1.731 1.00 0.00 C ATOM 1085 O ASN A 71 11.951 -2.150 1.706 1.00 0.00 O ATOM 1086 CB ASN A 71 12.591 -4.386 3.154 1.00 0.00 C ATOM 1087 CG ASN A 71 12.696 -5.341 4.327 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.481 -6.290 4.301 1.00 0.00 O ATOM 1089 ND2 ASN A 71 11.905 -5.094 5.364 1.00 0.00 N ATOM 0 H ASN A 71 10.023 -5.958 2.658 1.00 0.00 H new ATOM 0 HA ASN A 71 10.522 -3.968 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.185 -4.768 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.017 -3.423 3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.932 -5.702 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.270 -4.296 5.342 1.00 0.00 H new ATOM 1096 N SER A 72 9.998 -2.965 0.939 1.00 0.00 N ATOM 1097 CA SER A 72 9.804 -1.891 -0.028 1.00 0.00 C ATOM 1098 C SER A 72 9.005 -0.745 0.586 1.00 0.00 C ATOM 1099 O SER A 72 8.009 -0.967 1.276 1.00 0.00 O ATOM 1100 CB SER A 72 9.087 -2.419 -1.271 1.00 0.00 C ATOM 1101 OG SER A 72 7.731 -2.721 -0.989 1.00 0.00 O ATOM 0 H SER A 72 9.255 -3.664 0.948 1.00 0.00 H new ATOM 0 HA SER A 72 10.785 -1.513 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.139 -1.677 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.594 -3.313 -1.635 1.00 0.00 H new ATOM 0 HG SER A 72 7.192 -2.588 -1.796 1.00 0.00 H new ATOM 1107 N LYS A 73 9.448 0.481 0.331 1.00 0.00 N ATOM 1108 CA LYS A 73 8.775 1.663 0.856 1.00 0.00 C ATOM 1109 C LYS A 73 7.718 2.167 -0.122 1.00 0.00 C ATOM 1110 O LYS A 73 8.044 2.689 -1.190 1.00 0.00 O ATOM 1111 CB LYS A 73 9.793 2.771 1.138 1.00 0.00 C ATOM 1112 CG LYS A 73 10.496 2.623 2.477 1.00 0.00 C ATOM 1113 CD LYS A 73 11.512 3.731 2.698 1.00 0.00 C ATOM 1114 CE LYS A 73 10.833 5.078 2.898 1.00 0.00 C ATOM 1115 NZ LYS A 73 11.711 6.040 3.620 1.00 0.00 N ATOM 0 H LYS A 73 10.271 0.682 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 73 8.281 1.386 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.539 2.778 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.286 3.735 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.759 2.638 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.996 1.655 2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.123 3.497 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.185 3.785 1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.559 5.494 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.908 4.939 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.212 6.945 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.952 5.655 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.582 6.193 3.073 1.00 0.00 H new ATOM 1129 N LEU A 74 6.453 2.009 0.249 1.00 0.00 N ATOM 1130 CA LEU A 74 5.347 2.450 -0.595 1.00 0.00 C ATOM 1131 C LEU A 74 4.901 3.858 -0.216 1.00 0.00 C ATOM 1132 O LEU A 74 4.943 4.240 0.952 1.00 0.00 O ATOM 1133 CB LEU A 74 4.170 1.480 -0.475 1.00 0.00 C ATOM 1134 CG LEU A 74 4.276 0.192 -1.292 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.536 -0.942 -0.599 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.734 0.405 -2.698 1.00 0.00 C ATOM 0 H LEU A 74 6.167 1.579 1.128 1.00 0.00 H new ATOM 0 HA LEU A 74 5.694 2.465 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.052 1.212 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.262 2.003 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 74 5.328 -0.081 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.622 -1.851 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.971 -1.112 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.484 -0.678 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.818 -0.522 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.687 0.703 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.308 1.187 -3.195 1.00 0.00 H new ATOM 1148 N ASN A 75 4.472 4.625 -1.213 1.00 0.00 N ATOM 1149 CA ASN A 75 4.016 5.992 -0.984 1.00 0.00 C ATOM 1150 C ASN A 75 2.492 6.069 -1.018 1.00 0.00 C ATOM 1151 O ASN A 75 1.842 5.382 -1.806 1.00 0.00 O ATOM 1152 CB ASN A 75 4.608 6.932 -2.036 1.00 0.00 C ATOM 1153 CG ASN A 75 6.006 7.397 -1.673 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.994 6.920 -2.230 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.093 8.333 -0.735 1.00 0.00 N ATOM 0 H ASN A 75 4.430 4.324 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 75 4.357 6.302 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.636 6.423 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.958 7.799 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.007 8.685 -0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.246 8.700 -0.300 1.00 0.00 H new ATOM 1162 N LEU A 76 1.930 6.910 -0.157 1.00 0.00 N ATOM 1163 CA LEU A 76 0.482 7.079 -0.087 1.00 0.00 C ATOM 1164 C LEU A 76 0.076 8.484 -0.522 1.00 0.00 C ATOM 1165 O LEU A 76 0.712 9.469 -0.147 1.00 0.00 O ATOM 1166 CB LEU A 76 -0.015 6.809 1.334 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.525 6.634 1.495 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.946 5.232 1.080 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.945 6.916 2.930 1.00 0.00 C ATOM 0 H LEU A 76 2.454 7.485 0.502 1.00 0.00 H new ATOM 0 HA LEU A 76 0.024 6.361 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.476 5.909 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.305 7.633 1.972 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.026 7.350 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.024 5.125 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.680 5.066 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.436 4.499 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.023 6.787 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.435 6.224 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.678 7.940 3.193 1.00 0.00 H new ATOM 1181 N VAL A 77 -0.988 8.568 -1.314 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.481 9.852 -1.797 1.00 0.00 C ATOM 1183 C VAL A 77 -2.918 10.094 -1.348 1.00 0.00 C ATOM 1184 O VAL A 77 -3.767 9.208 -1.444 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.415 9.937 -3.334 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.450 11.387 -3.791 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.168 9.236 -3.852 1.00 0.00 C ATOM 0 H VAL A 77 -1.525 7.762 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.835 10.619 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.287 9.431 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.402 11.427 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.375 11.853 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.598 11.922 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.137 9.305 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.718 9.712 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.191 8.187 -3.556 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.184 11.300 -0.856 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.518 11.659 -0.393 1.00 0.00 C ATOM 1199 C VAL A 78 -5.309 12.366 -1.488 1.00 0.00 C ATOM 1200 O VAL A 78 -4.868 13.378 -2.033 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.455 12.570 0.848 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -3.620 13.808 0.560 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -5.857 12.954 1.298 1.00 0.00 C ATOM 0 H VAL A 78 -2.493 12.045 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.021 10.729 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.976 12.020 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.587 14.439 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.607 13.509 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.066 14.364 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.794 13.597 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.364 13.486 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.418 12.054 1.548 1.00 0.00 H new