USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 971 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 NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: B 214 SER OG : rot 180:sc= -0.0524 USER MOD Set 1.2: B 215 HIS : no HD1:sc= 0 X(o=-0.052,f=-0.052) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.983 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.698 K(o=-1.7,f=-2.7!) USER MOD Set 3.1: A 7 THR OG1 : rot 121:sc= 0.592 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.749 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.05 (180deg=0.337) USER MOD Single : A 2 GLN : amide:sc=-0.00953 X(o=-0.0095,f=-0.25) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.738 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 0.212! (180deg=-0.258) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 0.0244 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= -0.592 (180deg=-3.34!) USER MOD Single : A 40 GLN : amide:sc= -2.99! K(o=-3!,f=-1.9) USER MOD Single : A 41 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.93) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.56 K(o=-2.6,f=-3.4!) USER MOD Single : A 55 THR OG1 : rot -67:sc= 0.243 USER MOD Single : A 57 SER OG : rot 180:sc= -0.786 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00463 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00942) USER MOD Single : A 65 SER OG : rot 106:sc= 1.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.617 X(o=-0.62,f=-1.1) USER MOD Single : B 198 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 200 THR OG1 : rot 168:sc= 0.482 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.3!) USER MOD Single : B 217 ASN : amide:sc= -1.75 K(o=-1.7,f=-4.2!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 88:sc= 0.645 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 232 SER OG : rot -80:sc= 0.185 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 236 SER OG : rot 180:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.063) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.472 15.821 10.287 1.00 0.00 N ATOM 2 CA MET A 1 96.968 14.807 11.266 1.00 0.00 C ATOM 3 C MET A 1 98.198 14.124 10.692 1.00 0.00 C ATOM 4 O MET A 1 98.214 13.735 9.529 1.00 0.00 O ATOM 5 CB MET A 1 95.874 13.754 11.523 1.00 0.00 C ATOM 6 CG MET A 1 95.456 13.071 10.197 1.00 0.00 C ATOM 7 SD MET A 1 93.673 13.262 9.943 1.00 0.00 S ATOM 8 CE MET A 1 93.173 11.741 10.773 1.00 0.00 C ATOM 0 H1 MET A 1 95.456 15.984 10.440 1.00 0.00 H new ATOM 0 H2 MET A 1 96.989 16.713 10.419 1.00 0.00 H new ATOM 0 H3 MET A 1 96.625 15.473 9.319 1.00 0.00 H new ATOM 0 HA MET A 1 97.220 15.300 12.205 1.00 0.00 H new ATOM 0 HB2 MET A 1 96.240 13.005 12.225 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.007 14.227 11.984 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.001 13.513 9.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 95.717 12.013 10.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.088 11.648 10.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.627 10.887 10.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.502 11.768 11.812 1.00 0.00 H new ATOM 20 N GLN A 2 99.208 13.974 11.534 1.00 0.00 N ATOM 21 CA GLN A 2 100.448 13.326 11.125 1.00 0.00 C ATOM 22 C GLN A 2 100.262 11.827 11.172 1.00 0.00 C ATOM 23 O GLN A 2 100.026 11.251 12.236 1.00 0.00 O ATOM 24 CB GLN A 2 101.601 13.727 12.051 1.00 0.00 C ATOM 25 CG GLN A 2 102.930 13.216 11.487 1.00 0.00 C ATOM 26 CD GLN A 2 104.093 13.703 12.347 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.678 14.752 12.077 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.457 13.002 13.387 1.00 0.00 N ATOM 0 H GLN A 2 99.196 14.291 12.503 1.00 0.00 H new ATOM 0 HA GLN A 2 100.693 13.642 10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.634 14.812 12.155 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.438 13.316 13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.924 12.126 11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 2 103.056 13.565 10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 2 103.973 12.133 13.611 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.226 13.324 13.975 1.00 0.00 H new ATOM 37 N ILE A 3 100.369 11.213 10.005 1.00 0.00 N ATOM 38 CA ILE A 3 100.218 9.773 9.873 1.00 0.00 C ATOM 39 C ILE A 3 101.490 9.192 9.282 1.00 0.00 C ATOM 40 O ILE A 3 102.144 9.832 8.455 1.00 0.00 O ATOM 41 CB ILE A 3 99.003 9.428 8.990 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.174 10.046 7.585 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.727 9.970 9.653 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.134 9.464 6.622 1.00 0.00 C ATOM 0 H ILE A 3 100.562 11.695 9.127 1.00 0.00 H new ATOM 0 HA ILE A 3 100.045 9.339 10.858 1.00 0.00 H new ATOM 0 HB ILE A 3 98.927 8.346 8.885 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.064 11.129 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.178 9.846 7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.864 9.729 9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.606 9.514 10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.805 11.052 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.264 9.907 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.264 8.384 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.132 9.686 6.990 1.00 0.00 H new ATOM 56 N PHE A 4 101.839 7.991 9.722 1.00 0.00 N ATOM 57 CA PHE A 4 103.043 7.328 9.233 1.00 0.00 C ATOM 58 C PHE A 4 102.657 6.210 8.277 1.00 0.00 C ATOM 59 O PHE A 4 101.646 5.534 8.483 1.00 0.00 O ATOM 60 CB PHE A 4 103.841 6.738 10.408 1.00 0.00 C ATOM 61 CG PHE A 4 104.127 7.812 11.434 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.409 7.836 12.637 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.103 8.780 11.180 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.674 8.831 13.587 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.366 9.773 12.130 1.00 0.00 C ATOM 66 CZ PHE A 4 104.652 9.798 13.334 1.00 0.00 C ATOM 0 H PHE A 4 101.310 7.458 10.412 1.00 0.00 H new ATOM 0 HA PHE A 4 103.661 8.061 8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.279 5.925 10.868 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.777 6.313 10.045 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.653 7.089 12.831 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.654 8.761 10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 4 103.123 8.851 14.515 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.120 10.521 11.934 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.856 10.564 14.067 1.00 0.00 H new ATOM 76 N VAL A 5 103.473 6.014 7.246 1.00 0.00 N ATOM 77 CA VAL A 5 103.227 4.955 6.271 1.00 0.00 C ATOM 78 C VAL A 5 104.434 4.025 6.266 1.00 0.00 C ATOM 79 O VAL A 5 105.580 4.486 6.248 1.00 0.00 O ATOM 80 CB VAL A 5 102.960 5.543 4.871 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.659 4.418 3.871 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.757 6.497 4.929 1.00 0.00 C ATOM 0 H VAL A 5 104.307 6.572 7.064 1.00 0.00 H new ATOM 0 HA VAL A 5 102.335 4.393 6.547 1.00 0.00 H new ATOM 0 HB VAL A 5 103.848 6.086 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.472 4.847 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.512 3.742 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.779 3.866 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.572 6.910 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.875 5.951 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.969 7.308 5.626 1.00 0.00 H new ATOM 92 N LYS A 6 104.163 2.722 6.299 1.00 0.00 N ATOM 93 CA LYS A 6 105.225 1.725 6.319 1.00 0.00 C ATOM 94 C LYS A 6 105.137 0.816 5.102 1.00 0.00 C ATOM 95 O LYS A 6 104.151 0.095 4.922 1.00 0.00 O ATOM 96 CB LYS A 6 105.122 0.881 7.594 1.00 0.00 C ATOM 97 CG LYS A 6 106.335 -0.047 7.696 1.00 0.00 C ATOM 98 CD LYS A 6 106.249 -0.860 8.983 1.00 0.00 C ATOM 99 CE LYS A 6 107.472 -1.768 9.085 1.00 0.00 C ATOM 100 NZ LYS A 6 107.398 -2.557 10.344 1.00 0.00 N ATOM 0 H LYS A 6 103.219 2.335 6.312 1.00 0.00 H new ATOM 0 HA LYS A 6 106.183 2.245 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.073 1.530 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.203 0.295 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.369 -0.714 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.255 0.537 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.202 -0.195 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.337 -1.456 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.515 -2.437 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.384 -1.171 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.231 -3.176 10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.377 -1.910 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 106.535 -3.137 10.340 1.00 0.00 H new ATOM 114 N THR A 7 106.173 0.875 4.272 1.00 0.00 N ATOM 115 CA THR A 7 106.222 0.074 3.057 1.00 0.00 C ATOM 116 C THR A 7 106.634 -1.352 3.397 1.00 0.00 C ATOM 117 O THR A 7 107.125 -1.622 4.495 1.00 0.00 O ATOM 118 CB THR A 7 107.231 0.672 2.067 1.00 0.00 C ATOM 119 OG1 THR A 7 108.523 0.674 2.660 1.00 0.00 O ATOM 120 CG2 THR A 7 106.836 2.108 1.704 1.00 0.00 C ATOM 0 H THR A 7 106.989 1.469 4.419 1.00 0.00 H new ATOM 0 HA THR A 7 105.232 0.070 2.600 1.00 0.00 H new ATOM 0 HB THR A 7 107.238 0.069 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.139 0.152 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.561 2.518 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.847 2.109 1.246 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.819 2.720 2.606 1.00 0.00 H new ATOM 128 N LEU A 8 106.409 -2.259 2.451 1.00 0.00 N ATOM 129 CA LEU A 8 106.736 -3.671 2.643 1.00 0.00 C ATOM 130 C LEU A 8 108.246 -3.883 2.751 1.00 0.00 C ATOM 131 O LEU A 8 108.698 -4.857 3.358 1.00 0.00 O ATOM 132 CB LEU A 8 106.198 -4.491 1.465 1.00 0.00 C ATOM 133 CG LEU A 8 104.666 -4.423 1.434 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.159 -5.000 0.109 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.086 -5.233 2.599 1.00 0.00 C ATOM 0 H LEU A 8 106.001 -2.042 1.542 1.00 0.00 H new ATOM 0 HA LEU A 8 106.272 -3.999 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.606 -4.109 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.522 -5.528 1.555 1.00 0.00 H new ATOM 0 HG LEU A 8 104.349 -3.384 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.070 -4.953 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.566 -4.421 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.479 -6.038 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.998 -5.181 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.402 -6.273 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.445 -4.822 3.542 1.00 0.00 H new ATOM 147 N THR A 9 109.010 -2.962 2.166 1.00 0.00 N ATOM 148 CA THR A 9 110.467 -3.043 2.186 1.00 0.00 C ATOM 149 C THR A 9 111.034 -2.652 3.558 1.00 0.00 C ATOM 150 O THR A 9 112.201 -2.932 3.851 1.00 0.00 O ATOM 151 CB THR A 9 111.046 -2.128 1.100 1.00 0.00 C ATOM 152 OG1 THR A 9 110.550 -0.809 1.286 1.00 0.00 O ATOM 153 CG2 THR A 9 110.627 -2.643 -0.286 1.00 0.00 C ATOM 0 H THR A 9 108.642 -2.150 1.671 1.00 0.00 H new ATOM 0 HA THR A 9 110.754 -4.076 1.990 1.00 0.00 H new ATOM 0 HB THR A 9 112.134 -2.124 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.919 -0.220 0.595 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.039 -1.991 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.004 -3.656 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.539 -2.648 -0.359 1.00 0.00 H new ATOM 161 N GLY A 10 110.201 -2.020 4.401 1.00 0.00 N ATOM 162 CA GLY A 10 110.623 -1.614 5.741 1.00 0.00 C ATOM 163 C GLY A 10 110.844 -0.103 5.851 1.00 0.00 C ATOM 164 O GLY A 10 111.026 0.414 6.956 1.00 0.00 O ATOM 0 H GLY A 10 109.235 -1.782 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.869 -1.922 6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.545 -2.133 6.001 1.00 0.00 H new ATOM 168 N LYS A 11 110.821 0.603 4.711 1.00 0.00 N ATOM 169 CA LYS A 11 111.011 2.049 4.711 1.00 0.00 C ATOM 170 C LYS A 11 109.867 2.720 5.466 1.00 0.00 C ATOM 171 O LYS A 11 108.757 2.186 5.533 1.00 0.00 O ATOM 172 CB LYS A 11 111.074 2.580 3.276 1.00 0.00 C ATOM 173 CG LYS A 11 111.509 4.050 3.290 1.00 0.00 C ATOM 174 CD LYS A 11 111.651 4.550 1.858 1.00 0.00 C ATOM 175 CE LYS A 11 112.099 6.011 1.868 1.00 0.00 C ATOM 176 NZ LYS A 11 112.281 6.482 0.465 1.00 0.00 N ATOM 0 H LYS A 11 110.674 0.195 3.788 1.00 0.00 H new ATOM 0 HA LYS A 11 111.953 2.279 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.776 1.988 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.099 2.483 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.776 4.652 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.456 4.155 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.376 3.940 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.701 4.454 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.358 6.627 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 11 113.032 6.113 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.586 7.476 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.003 5.900 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.381 6.398 -0.049 1.00 0.00 H new ATOM 190 N THR A 12 110.155 3.895 6.029 1.00 0.00 N ATOM 191 CA THR A 12 109.154 4.643 6.788 1.00 0.00 C ATOM 192 C THR A 12 109.105 6.098 6.330 1.00 0.00 C ATOM 193 O THR A 12 110.137 6.760 6.206 1.00 0.00 O ATOM 194 CB THR A 12 109.475 4.586 8.286 1.00 0.00 C ATOM 195 OG1 THR A 12 109.683 3.236 8.671 1.00 0.00 O ATOM 196 CG2 THR A 12 108.300 5.160 9.083 1.00 0.00 C ATOM 0 H THR A 12 111.068 4.346 5.974 1.00 0.00 H new ATOM 0 HA THR A 12 108.181 4.186 6.610 1.00 0.00 H new ATOM 0 HB THR A 12 110.373 5.170 8.487 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.890 3.197 9.628 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.528 5.119 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.131 6.195 8.787 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.403 4.574 8.882 1.00 0.00 H new ATOM 204 N ILE A 13 107.889 6.578 6.094 1.00 0.00 N ATOM 205 CA ILE A 13 107.662 7.956 5.662 1.00 0.00 C ATOM 206 C ILE A 13 106.534 8.579 6.485 1.00 0.00 C ATOM 207 O ILE A 13 105.495 7.948 6.700 1.00 0.00 O ATOM 208 CB ILE A 13 107.306 7.989 4.157 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.031 9.444 3.701 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.066 7.114 3.891 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.869 9.507 2.176 1.00 0.00 C ATOM 0 H ILE A 13 107.036 6.028 6.195 1.00 0.00 H new ATOM 0 HA ILE A 13 108.574 8.533 5.818 1.00 0.00 H new ATOM 0 HB ILE A 13 108.150 7.597 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.129 9.819 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.851 10.090 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.822 7.142 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.275 6.086 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.222 7.493 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.676 10.536 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.782 9.153 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.033 8.877 1.873 1.00 0.00 H new ATOM 223 N THR A 14 106.736 9.827 6.901 1.00 0.00 N ATOM 224 CA THR A 14 105.719 10.538 7.669 1.00 0.00 C ATOM 225 C THR A 14 104.959 11.440 6.719 1.00 0.00 C ATOM 226 O THR A 14 105.558 12.242 5.995 1.00 0.00 O ATOM 227 CB THR A 14 106.341 11.370 8.788 1.00 0.00 C ATOM 228 OG1 THR A 14 107.249 10.566 9.530 1.00 0.00 O ATOM 229 CG2 THR A 14 105.232 11.880 9.717 1.00 0.00 C ATOM 0 H THR A 14 107.586 10.362 6.721 1.00 0.00 H new ATOM 0 HA THR A 14 105.051 9.814 8.135 1.00 0.00 H new ATOM 0 HB THR A 14 106.876 12.217 8.358 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.795 10.202 10.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.673 12.475 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.536 12.496 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.699 11.032 10.146 1.00 0.00 H new ATOM 237 N LEU A 15 103.647 11.257 6.685 1.00 0.00 N ATOM 238 CA LEU A 15 102.790 12.012 5.783 1.00 0.00 C ATOM 239 C LEU A 15 101.708 12.758 6.546 1.00 0.00 C ATOM 240 O LEU A 15 101.176 12.260 7.541 1.00 0.00 O ATOM 241 CB LEU A 15 102.153 11.039 4.786 1.00 0.00 C ATOM 242 CG LEU A 15 101.403 11.794 3.683 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.385 12.574 2.798 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.643 10.780 2.830 1.00 0.00 C ATOM 0 H LEU A 15 103.151 10.589 7.275 1.00 0.00 H new ATOM 0 HA LEU A 15 103.392 12.753 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.925 10.411 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.465 10.375 5.309 1.00 0.00 H new ATOM 0 HG LEU A 15 100.712 12.504 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.833 13.103 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.932 13.293 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.088 11.881 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.103 11.301 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.348 10.077 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.935 10.237 3.455 1.00 0.00 H new ATOM 256 N GLU A 16 101.387 13.955 6.055 1.00 0.00 N ATOM 257 CA GLU A 16 100.376 14.793 6.677 1.00 0.00 C ATOM 258 C GLU A 16 99.116 14.798 5.831 1.00 0.00 C ATOM 259 O GLU A 16 99.168 15.097 4.634 1.00 0.00 O ATOM 260 CB GLU A 16 100.892 16.224 6.825 1.00 0.00 C ATOM 261 CG GLU A 16 102.008 16.263 7.878 1.00 0.00 C ATOM 262 CD GLU A 16 103.379 15.934 7.263 1.00 0.00 C ATOM 263 OE1 GLU A 16 103.439 15.594 6.088 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.355 16.024 7.989 1.00 0.00 O ATOM 0 H GLU A 16 101.817 14.362 5.225 1.00 0.00 H new ATOM 0 HA GLU A 16 100.150 14.390 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.268 16.586 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.078 16.886 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.042 17.251 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 101.785 15.551 8.672 1.00 0.00 H new ATOM 271 N VAL A 17 97.991 14.453 6.451 1.00 0.00 N ATOM 272 CA VAL A 17 96.710 14.422 5.747 1.00 0.00 C ATOM 273 C VAL A 17 95.608 14.991 6.631 1.00 0.00 C ATOM 274 O VAL A 17 95.817 15.199 7.825 1.00 0.00 O ATOM 275 CB VAL A 17 96.365 12.986 5.329 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.418 12.477 4.340 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.330 12.063 6.561 1.00 0.00 C ATOM 0 H VAL A 17 97.939 14.192 7.436 1.00 0.00 H new ATOM 0 HA VAL A 17 96.792 15.036 4.850 1.00 0.00 H new ATOM 0 HB VAL A 17 95.382 12.982 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.174 11.457 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.430 13.119 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.400 12.492 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.084 11.048 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.306 12.067 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 17 95.575 12.420 7.262 1.00 0.00 H new ATOM 287 N GLU A 18 94.438 15.230 6.039 1.00 0.00 N ATOM 288 CA GLU A 18 93.312 15.765 6.797 1.00 0.00 C ATOM 289 C GLU A 18 92.138 14.773 6.793 1.00 0.00 C ATOM 290 O GLU A 18 91.957 14.052 5.810 1.00 0.00 O ATOM 291 CB GLU A 18 92.849 17.105 6.215 1.00 0.00 C ATOM 292 CG GLU A 18 93.942 18.156 6.422 1.00 0.00 C ATOM 293 CD GLU A 18 93.490 19.495 5.848 1.00 0.00 C ATOM 294 OE1 GLU A 18 92.593 20.091 6.422 1.00 0.00 O ATOM 295 OE2 GLU A 18 94.048 19.903 4.845 1.00 0.00 O ATOM 0 H GLU A 18 94.248 15.064 5.051 1.00 0.00 H new ATOM 0 HA GLU A 18 93.646 15.922 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.631 16.996 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 18 91.926 17.424 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.161 18.261 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.864 17.835 5.937 1.00 0.00 H new ATOM 302 N PRO A 19 91.333 14.718 7.853 1.00 0.00 N ATOM 303 CA PRO A 19 90.157 13.784 7.918 1.00 0.00 C ATOM 304 C PRO A 19 89.186 14.003 6.750 1.00 0.00 C ATOM 305 O PRO A 19 88.492 13.079 6.322 1.00 0.00 O ATOM 306 CB PRO A 19 89.492 14.127 9.256 1.00 0.00 C ATOM 307 CG PRO A 19 90.566 14.750 10.080 1.00 0.00 C ATOM 308 CD PRO A 19 91.440 15.515 9.100 1.00 0.00 C ATOM 0 HA PRO A 19 90.458 12.739 7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.656 14.812 9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.094 13.234 9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.146 15.416 10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.142 13.992 10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.085 16.536 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.471 15.582 9.448 1.00 0.00 H new ATOM 316 N SER A 20 89.162 15.239 6.250 1.00 0.00 N ATOM 317 CA SER A 20 88.301 15.601 5.120 1.00 0.00 C ATOM 318 C SER A 20 88.964 15.272 3.779 1.00 0.00 C ATOM 319 O SER A 20 88.297 15.274 2.741 1.00 0.00 O ATOM 320 CB SER A 20 87.977 17.093 5.171 1.00 0.00 C ATOM 321 OG SER A 20 87.244 17.373 6.356 1.00 0.00 O ATOM 0 H SER A 20 89.729 16.008 6.609 1.00 0.00 H new ATOM 0 HA SER A 20 87.384 15.017 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 88.897 17.678 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.397 17.381 4.294 1.00 0.00 H new ATOM 0 HG SER A 20 87.036 18.330 6.393 1.00 0.00 H new ATOM 327 N ASP A 21 90.273 14.996 3.809 1.00 0.00 N ATOM 328 CA ASP A 21 91.013 14.662 2.595 1.00 0.00 C ATOM 329 C ASP A 21 90.685 13.247 2.150 1.00 0.00 C ATOM 330 O ASP A 21 90.541 12.343 2.980 1.00 0.00 O ATOM 331 CB ASP A 21 92.522 14.789 2.838 1.00 0.00 C ATOM 332 CG ASP A 21 93.295 14.807 1.512 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.862 15.482 0.586 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.314 14.140 1.442 1.00 0.00 O ATOM 0 H ASP A 21 90.836 14.998 4.659 1.00 0.00 H new ATOM 0 HA ASP A 21 90.719 15.360 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.728 15.703 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 21 92.866 13.957 3.452 1.00 0.00 H new ATOM 339 N THR A 22 90.566 13.069 0.835 1.00 0.00 N ATOM 340 CA THR A 22 90.258 11.765 0.271 1.00 0.00 C ATOM 341 C THR A 22 91.529 10.945 0.102 1.00 0.00 C ATOM 342 O THR A 22 92.631 11.489 0.073 1.00 0.00 O ATOM 343 CB THR A 22 89.570 11.935 -1.085 1.00 0.00 C ATOM 344 OG1 THR A 22 90.298 12.866 -1.872 1.00 0.00 O ATOM 345 CG2 THR A 22 88.141 12.448 -0.881 1.00 0.00 C ATOM 0 H THR A 22 90.679 13.812 0.146 1.00 0.00 H new ATOM 0 HA THR A 22 89.589 11.240 0.953 1.00 0.00 H new ATOM 0 HB THR A 22 89.538 10.972 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.858 12.974 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.656 12.567 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.580 11.733 -0.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.169 13.410 -0.368 1.00 0.00 H new ATOM 353 N ILE A 23 91.362 9.632 0.015 1.00 0.00 N ATOM 354 CA ILE A 23 92.504 8.725 -0.123 1.00 0.00 C ATOM 355 C ILE A 23 93.257 9.037 -1.418 1.00 0.00 C ATOM 356 O ILE A 23 94.490 9.083 -1.422 1.00 0.00 O ATOM 357 CB ILE A 23 92.030 7.254 -0.102 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.396 6.904 1.278 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.209 6.308 -0.408 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.411 7.031 2.435 1.00 0.00 C ATOM 0 H ILE A 23 90.454 9.169 0.037 1.00 0.00 H new ATOM 0 HA ILE A 23 93.181 8.872 0.719 1.00 0.00 H new ATOM 0 HB ILE A 23 91.270 7.124 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.550 7.565 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.006 5.887 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.861 5.275 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.613 6.538 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.987 6.442 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.923 6.777 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.245 6.351 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.782 8.055 2.483 1.00 0.00 H new ATOM 372 N GLU A 24 92.510 9.269 -2.500 1.00 0.00 N ATOM 373 CA GLU A 24 93.122 9.586 -3.787 1.00 0.00 C ATOM 374 C GLU A 24 94.027 10.820 -3.659 1.00 0.00 C ATOM 375 O GLU A 24 95.055 10.922 -4.335 1.00 0.00 O ATOM 376 CB GLU A 24 92.025 9.860 -4.818 1.00 0.00 C ATOM 377 CG GLU A 24 92.649 9.985 -6.217 1.00 0.00 C ATOM 378 CD GLU A 24 91.571 10.114 -7.301 1.00 0.00 C ATOM 379 OE1 GLU A 24 91.869 9.866 -8.463 1.00 0.00 O ATOM 380 OE2 GLU A 24 90.456 10.461 -6.950 1.00 0.00 O ATOM 0 H GLU A 24 91.490 9.243 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 24 93.727 8.739 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.292 9.053 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.494 10.777 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.305 10.855 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.269 9.112 -6.420 1.00 0.00 H new ATOM 387 N ASN A 25 93.637 11.737 -2.769 1.00 0.00 N ATOM 388 CA ASN A 25 94.413 12.951 -2.523 1.00 0.00 C ATOM 389 C ASN A 25 95.718 12.612 -1.805 1.00 0.00 C ATOM 390 O ASN A 25 96.768 13.186 -2.103 1.00 0.00 O ATOM 391 CB ASN A 25 93.599 13.951 -1.690 1.00 0.00 C ATOM 392 CG ASN A 25 92.529 14.628 -2.551 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.591 14.602 -3.785 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.537 15.246 -1.968 1.00 0.00 N ATOM 0 H ASN A 25 92.789 11.660 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 25 94.649 13.408 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.127 13.436 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.263 14.705 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.820 15.703 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.480 15.271 -0.950 1.00 0.00 H new ATOM 401 N VAL A 26 95.631 11.679 -0.851 1.00 0.00 N ATOM 402 CA VAL A 26 96.798 11.257 -0.071 1.00 0.00 C ATOM 403 C VAL A 26 97.863 10.648 -0.983 1.00 0.00 C ATOM 404 O VAL A 26 99.052 10.931 -0.825 1.00 0.00 O ATOM 405 CB VAL A 26 96.370 10.231 1.006 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.587 9.765 1.824 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.347 10.870 1.953 1.00 0.00 C ATOM 0 H VAL A 26 94.765 11.202 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 26 97.224 12.133 0.419 1.00 0.00 H new ATOM 0 HB VAL A 26 95.927 9.371 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.266 9.044 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.314 9.297 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.045 10.623 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.049 10.144 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.793 11.738 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.471 11.183 1.385 1.00 0.00 H new ATOM 417 N LYS A 27 97.434 9.784 -1.906 1.00 0.00 N ATOM 418 CA LYS A 27 98.377 9.117 -2.809 1.00 0.00 C ATOM 419 C LYS A 27 99.211 10.155 -3.554 1.00 0.00 C ATOM 420 O LYS A 27 100.436 10.032 -3.625 1.00 0.00 O ATOM 421 CB LYS A 27 97.628 8.233 -3.804 1.00 0.00 C ATOM 422 CG LYS A 27 97.000 7.053 -3.065 1.00 0.00 C ATOM 423 CD LYS A 27 96.277 6.151 -4.062 1.00 0.00 C ATOM 424 CE LYS A 27 95.644 4.974 -3.318 1.00 0.00 C ATOM 425 NZ LYS A 27 94.928 4.101 -4.289 1.00 0.00 N ATOM 0 H LYS A 27 96.456 9.532 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 27 99.041 8.488 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.855 8.811 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.312 7.872 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.770 6.488 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.300 7.414 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.509 6.717 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.978 5.786 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.413 4.403 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.950 5.339 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 95.014 3.108 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.923 4.367 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.346 4.217 -5.234 1.00 0.00 H new ATOM 439 N ALA A 28 98.543 11.175 -4.101 1.00 0.00 N ATOM 440 CA ALA A 28 99.239 12.232 -4.837 1.00 0.00 C ATOM 441 C ALA A 28 100.343 12.853 -3.980 1.00 0.00 C ATOM 442 O ALA A 28 101.431 13.141 -4.484 1.00 0.00 O ATOM 443 CB ALA A 28 98.246 13.315 -5.264 1.00 0.00 C ATOM 0 H ALA A 28 97.531 11.290 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 28 99.694 11.789 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.773 14.097 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.482 12.876 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.774 13.745 -4.380 1.00 0.00 H new ATOM 449 N LYS A 29 100.060 13.038 -2.686 1.00 0.00 N ATOM 450 CA LYS A 29 101.050 13.602 -1.766 1.00 0.00 C ATOM 451 C LYS A 29 102.262 12.676 -1.675 1.00 0.00 C ATOM 452 O LYS A 29 103.411 13.131 -1.681 1.00 0.00 O ATOM 453 CB LYS A 29 100.443 13.776 -0.371 1.00 0.00 C ATOM 454 CG LYS A 29 99.322 14.818 -0.417 1.00 0.00 C ATOM 455 CD LYS A 29 98.714 14.972 0.979 1.00 0.00 C ATOM 456 CE LYS A 29 97.570 15.989 0.933 1.00 0.00 C ATOM 457 NZ LYS A 29 97.007 16.163 2.303 1.00 0.00 N ATOM 0 H LYS A 29 99.164 12.808 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 29 101.360 14.576 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.052 12.823 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.213 14.089 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.714 15.775 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.555 14.512 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.344 14.010 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.477 15.300 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 29 97.933 16.944 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.793 15.648 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.807 17.170 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.127 15.616 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.695 15.825 3.006 1.00 0.00 H new ATOM 471 N ILE A 30 101.984 11.373 -1.604 1.00 0.00 N ATOM 472 CA ILE A 30 103.036 10.366 -1.519 1.00 0.00 C ATOM 473 C ILE A 30 103.873 10.392 -2.799 1.00 0.00 C ATOM 474 O ILE A 30 105.097 10.310 -2.740 1.00 0.00 O ATOM 475 CB ILE A 30 102.418 8.968 -1.311 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.708 8.931 0.051 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.523 7.888 -1.329 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.813 7.688 0.146 1.00 0.00 C ATOM 0 H ILE A 30 101.037 10.993 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 30 103.679 10.589 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 30 101.709 8.769 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.445 8.920 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.108 9.832 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.074 6.906 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 30 104.038 7.911 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.237 8.085 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.315 7.672 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.065 7.717 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.423 6.791 0.037 1.00 0.00 H new ATOM 490 N GLN A 31 103.199 10.491 -3.946 1.00 0.00 N ATOM 491 CA GLN A 31 103.887 10.516 -5.238 1.00 0.00 C ATOM 492 C GLN A 31 105.038 11.521 -5.219 1.00 0.00 C ATOM 493 O GLN A 31 106.110 11.254 -5.767 1.00 0.00 O ATOM 494 CB GLN A 31 102.893 10.885 -6.347 1.00 0.00 C ATOM 495 CG GLN A 31 103.576 10.817 -7.723 1.00 0.00 C ATOM 496 CD GLN A 31 102.615 11.268 -8.822 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.866 12.238 -8.655 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.593 10.624 -9.953 1.00 0.00 N ATOM 0 H GLN A 31 102.183 10.555 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 31 104.297 9.525 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.042 10.205 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.504 11.889 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.464 11.450 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.910 9.798 -7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.209 9.823 -10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 101.960 10.920 -10.696 1.00 0.00 H new ATOM 507 N ASP A 32 104.799 12.675 -4.609 1.00 0.00 N ATOM 508 CA ASP A 32 105.815 13.724 -4.532 1.00 0.00 C ATOM 509 C ASP A 32 107.000 13.324 -3.646 1.00 0.00 C ATOM 510 O ASP A 32 108.139 13.697 -3.933 1.00 0.00 O ATOM 511 CB ASP A 32 105.185 15.012 -3.999 1.00 0.00 C ATOM 512 CG ASP A 32 104.544 15.788 -5.145 1.00 0.00 C ATOM 513 OD1 ASP A 32 103.456 16.308 -4.947 1.00 0.00 O ATOM 514 OD2 ASP A 32 105.150 15.854 -6.201 1.00 0.00 O ATOM 0 H ASP A 32 103.914 12.911 -4.161 1.00 0.00 H new ATOM 0 HA ASP A 32 106.200 13.881 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.435 14.775 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.944 15.625 -3.513 1.00 0.00 H new ATOM 519 N LYS A 33 106.724 12.596 -2.556 1.00 0.00 N ATOM 520 CA LYS A 33 107.785 12.187 -1.623 1.00 0.00 C ATOM 521 C LYS A 33 108.539 10.931 -2.062 1.00 0.00 C ATOM 522 O LYS A 33 109.765 10.866 -1.920 1.00 0.00 O ATOM 523 CB LYS A 33 107.201 11.947 -0.230 1.00 0.00 C ATOM 524 CG LYS A 33 106.783 13.282 0.387 1.00 0.00 C ATOM 525 CD LYS A 33 106.172 13.044 1.766 1.00 0.00 C ATOM 526 CE LYS A 33 105.804 14.386 2.397 1.00 0.00 C ATOM 527 NZ LYS A 33 105.224 14.156 3.749 1.00 0.00 N ATOM 0 H LYS A 33 105.788 12.281 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 33 108.501 13.009 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.342 11.280 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.938 11.456 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.647 13.941 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.062 13.782 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.286 12.415 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.879 12.512 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.688 15.019 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.087 14.912 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.374 14.743 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 104.969 13.153 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.924 14.411 4.475 1.00 0.00 H new ATOM 541 N GLU A 34 107.813 9.934 -2.566 1.00 0.00 N ATOM 542 CA GLU A 34 108.429 8.674 -2.989 1.00 0.00 C ATOM 543 C GLU A 34 108.696 8.639 -4.496 1.00 0.00 C ATOM 544 O GLU A 34 109.404 7.746 -4.975 1.00 0.00 O ATOM 545 CB GLU A 34 107.510 7.506 -2.610 1.00 0.00 C ATOM 546 CG GLU A 34 107.464 7.352 -1.084 1.00 0.00 C ATOM 547 CD GLU A 34 106.433 6.286 -0.676 1.00 0.00 C ATOM 548 OE1 GLU A 34 106.235 6.077 0.515 1.00 0.00 O ATOM 549 OE2 GLU A 34 105.853 5.692 -1.568 1.00 0.00 O ATOM 0 H GLU A 34 106.801 9.972 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 34 109.389 8.588 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.506 7.681 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.871 6.585 -3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.450 7.073 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.208 8.307 -0.625 1.00 0.00 H new ATOM 556 N GLY A 35 108.151 9.610 -5.231 1.00 0.00 N ATOM 557 CA GLY A 35 108.357 9.680 -6.673 1.00 0.00 C ATOM 558 C GLY A 35 107.686 8.514 -7.396 1.00 0.00 C ATOM 559 O GLY A 35 108.075 8.183 -8.521 1.00 0.00 O ATOM 0 H GLY A 35 107.567 10.354 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.959 10.621 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.425 9.676 -6.889 1.00 0.00 H new ATOM 563 N ILE A 36 106.691 7.880 -6.751 1.00 0.00 N ATOM 564 CA ILE A 36 106.000 6.742 -7.368 1.00 0.00 C ATOM 565 C ILE A 36 104.547 7.110 -7.733 1.00 0.00 C ATOM 566 O ILE A 36 103.850 7.720 -6.921 1.00 0.00 O ATOM 567 CB ILE A 36 106.011 5.512 -6.440 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.464 5.156 -6.084 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.362 4.313 -7.160 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.490 4.209 -4.882 1.00 0.00 C ATOM 0 H ILE A 36 106.355 8.132 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 36 106.539 6.491 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 36 105.451 5.740 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.952 4.687 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 36 108.024 6.063 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.371 3.445 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.333 4.559 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.922 4.086 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.523 3.962 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 36 107.019 4.694 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.946 3.296 -5.126 1.00 0.00 H new ATOM 582 N PRO A 37 104.071 6.744 -8.925 1.00 0.00 N ATOM 583 CA PRO A 37 102.676 7.058 -9.353 1.00 0.00 C ATOM 584 C PRO A 37 101.616 6.540 -8.359 1.00 0.00 C ATOM 585 O PRO A 37 101.816 5.489 -7.742 1.00 0.00 O ATOM 586 CB PRO A 37 102.529 6.370 -10.718 1.00 0.00 C ATOM 587 CG PRO A 37 103.916 6.187 -11.228 1.00 0.00 C ATOM 588 CD PRO A 37 104.786 6.007 -9.994 1.00 0.00 C ATOM 0 HA PRO A 37 102.512 8.135 -9.399 1.00 0.00 H new ATOM 0 HB2 PRO A 37 102.018 5.412 -10.621 1.00 0.00 H new ATOM 0 HB3 PRO A 37 101.937 6.979 -11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.981 5.318 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.236 7.051 -11.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 104.902 4.953 -9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.787 6.409 -10.152 1.00 0.00 H new ATOM 596 N PRO A 38 100.494 7.246 -8.191 1.00 0.00 N ATOM 597 CA PRO A 38 99.411 6.817 -7.249 1.00 0.00 C ATOM 598 C PRO A 38 98.765 5.494 -7.668 1.00 0.00 C ATOM 599 O PRO A 38 98.338 4.708 -6.819 1.00 0.00 O ATOM 600 CB PRO A 38 98.392 7.967 -7.297 1.00 0.00 C ATOM 601 CG PRO A 38 98.649 8.682 -8.578 1.00 0.00 C ATOM 602 CD PRO A 38 100.132 8.511 -8.873 1.00 0.00 C ATOM 0 HA PRO A 38 99.799 6.634 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.371 7.587 -7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 38 98.515 8.635 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.042 8.268 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.389 9.737 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 38 100.321 8.454 -9.945 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.714 9.350 -8.491 1.00 0.00 H new ATOM 610 N ASP A 39 98.697 5.265 -8.981 1.00 0.00 N ATOM 611 CA ASP A 39 98.104 4.041 -9.521 1.00 0.00 C ATOM 612 C ASP A 39 98.919 2.807 -9.133 1.00 0.00 C ATOM 613 O ASP A 39 98.353 1.734 -8.905 1.00 0.00 O ATOM 614 CB ASP A 39 98.014 4.132 -11.047 1.00 0.00 C ATOM 615 CG ASP A 39 97.254 2.930 -11.599 1.00 0.00 C ATOM 616 OD1 ASP A 39 96.106 2.757 -11.222 1.00 0.00 O ATOM 617 OD2 ASP A 39 97.830 2.202 -12.389 1.00 0.00 O ATOM 0 H ASP A 39 99.045 5.911 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 39 97.105 3.940 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.510 5.055 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 39 99.015 4.168 -11.477 1.00 0.00 H new ATOM 622 N GLN A 40 100.246 2.959 -9.084 1.00 0.00 N ATOM 623 CA GLN A 40 101.132 1.841 -8.742 1.00 0.00 C ATOM 624 C GLN A 40 101.192 1.594 -7.228 1.00 0.00 C ATOM 625 O GLN A 40 101.869 0.665 -6.779 1.00 0.00 O ATOM 626 CB GLN A 40 102.546 2.119 -9.274 1.00 0.00 C ATOM 627 CG GLN A 40 103.346 0.811 -9.318 1.00 0.00 C ATOM 628 CD GLN A 40 104.717 1.035 -9.947 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.893 1.944 -10.758 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.704 0.248 -9.617 1.00 0.00 N ATOM 0 H GLN A 40 100.728 3.838 -9.275 1.00 0.00 H new ATOM 0 HA GLN A 40 100.724 0.944 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.491 2.557 -10.271 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.050 2.844 -8.635 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.464 0.418 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.797 0.063 -9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.554 -0.504 -8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.626 0.385 -10.032 1.00 0.00 H new ATOM 639 N GLN A 41 100.487 2.423 -6.447 1.00 0.00 N ATOM 640 CA GLN A 41 100.485 2.282 -4.994 1.00 0.00 C ATOM 641 C GLN A 41 99.096 1.951 -4.470 1.00 0.00 C ATOM 642 O GLN A 41 98.119 2.637 -4.781 1.00 0.00 O ATOM 643 CB GLN A 41 100.973 3.573 -4.344 1.00 0.00 C ATOM 644 CG GLN A 41 102.443 3.789 -4.689 1.00 0.00 C ATOM 645 CD GLN A 41 102.919 5.117 -4.116 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.208 6.118 -4.191 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.093 5.190 -3.556 1.00 0.00 N ATOM 0 H GLN A 41 99.916 3.192 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 41 101.155 1.461 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.378 4.417 -4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.846 3.520 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.044 2.973 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.577 3.781 -5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.681 4.359 -3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.424 6.078 -3.179 1.00 0.00 H new ATOM 656 N ARG A 42 99.032 0.895 -3.662 1.00 0.00 N ATOM 657 CA ARG A 42 97.777 0.459 -3.058 1.00 0.00 C ATOM 658 C ARG A 42 97.923 0.486 -1.545 1.00 0.00 C ATOM 659 O ARG A 42 98.764 -0.225 -0.989 1.00 0.00 O ATOM 660 CB ARG A 42 97.435 -0.960 -3.509 1.00 0.00 C ATOM 661 CG ARG A 42 97.169 -0.965 -5.013 1.00 0.00 C ATOM 662 CD ARG A 42 97.004 -2.401 -5.494 1.00 0.00 C ATOM 663 NE ARG A 42 95.793 -2.982 -4.911 1.00 0.00 N ATOM 664 CZ ARG A 42 94.576 -2.852 -5.472 1.00 0.00 C ATOM 665 NH1 ARG A 42 94.399 -2.195 -6.597 1.00 0.00 N ATOM 666 NH2 ARG A 42 93.545 -3.395 -4.887 1.00 0.00 N ATOM 0 H ARG A 42 99.839 0.324 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 42 96.976 1.129 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.256 -1.636 -3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.558 -1.322 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.270 -0.390 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.994 -0.486 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.943 -2.425 -6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 42 97.875 -2.992 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 42 95.875 -3.509 -4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 42 95.196 -1.767 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 42 93.465 -2.113 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 42 93.666 -3.911 -4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 42 92.617 -3.304 -5.301 1.00 0.00 H new ATOM 680 N LEU A 43 97.125 1.328 -0.887 1.00 0.00 N ATOM 681 CA LEU A 43 97.192 1.460 0.566 1.00 0.00 C ATOM 682 C LEU A 43 96.198 0.534 1.253 1.00 0.00 C ATOM 683 O LEU A 43 95.055 0.395 0.811 1.00 0.00 O ATOM 684 CB LEU A 43 96.885 2.908 0.958 1.00 0.00 C ATOM 685 CG LEU A 43 98.079 3.813 0.623 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.640 5.281 0.667 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.193 3.595 1.654 1.00 0.00 C ATOM 0 H LEU A 43 96.429 1.925 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 43 98.196 1.184 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 43 95.997 3.255 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.664 2.965 2.024 1.00 0.00 H new ATOM 0 HG LEU A 43 98.445 3.568 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.489 5.922 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 43 96.846 5.445 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.273 5.521 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.040 4.238 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.821 3.839 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.511 2.553 1.631 1.00 0.00 H new ATOM 699 N ILE A 44 96.645 -0.075 2.350 1.00 0.00 N ATOM 700 CA ILE A 44 95.804 -0.966 3.139 1.00 0.00 C ATOM 701 C ILE A 44 95.887 -0.573 4.604 1.00 0.00 C ATOM 702 O ILE A 44 96.952 -0.217 5.114 1.00 0.00 O ATOM 703 CB ILE A 44 96.205 -2.443 2.953 1.00 0.00 C ATOM 704 CG1 ILE A 44 95.998 -2.825 1.478 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.329 -3.347 3.852 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.522 -4.240 1.212 1.00 0.00 C ATOM 0 H ILE A 44 97.592 0.035 2.712 1.00 0.00 H new ATOM 0 HA ILE A 44 94.776 -0.865 2.791 1.00 0.00 H new ATOM 0 HB ILE A 44 97.250 -2.579 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.939 -2.770 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.515 -2.112 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.619 -4.388 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.469 -3.067 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.281 -3.224 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.367 -4.494 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.586 -4.283 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.985 -4.951 1.840 1.00 0.00 H new ATOM 718 N PHE A 45 94.740 -0.645 5.255 1.00 0.00 N ATOM 719 CA PHE A 45 94.632 -0.301 6.659 1.00 0.00 C ATOM 720 C PHE A 45 93.651 -1.232 7.354 1.00 0.00 C ATOM 721 O PHE A 45 92.476 -1.293 6.993 1.00 0.00 O ATOM 722 CB PHE A 45 94.164 1.158 6.806 1.00 0.00 C ATOM 723 CG PHE A 45 94.098 1.549 8.273 1.00 0.00 C ATOM 724 CD1 PHE A 45 95.273 1.613 9.034 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.865 1.842 8.867 1.00 0.00 C ATOM 726 CE1 PHE A 45 95.213 1.970 10.386 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.804 2.200 10.216 1.00 0.00 C ATOM 728 CZ PHE A 45 93.979 2.265 10.977 1.00 0.00 C ATOM 0 H PHE A 45 93.863 -0.942 4.827 1.00 0.00 H new ATOM 0 HA PHE A 45 95.611 -0.411 7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.849 1.821 6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.183 1.280 6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.225 1.387 8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.959 1.791 8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 45 96.118 2.018 10.973 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.852 2.427 10.672 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.932 2.543 12.020 1.00 0.00 H new ATOM 738 N ALA A 46 94.159 -1.954 8.354 1.00 0.00 N ATOM 739 CA ALA A 46 93.347 -2.896 9.136 1.00 0.00 C ATOM 740 C ALA A 46 92.961 -4.136 8.315 1.00 0.00 C ATOM 741 O ALA A 46 91.900 -4.727 8.538 1.00 0.00 O ATOM 742 CB ALA A 46 92.072 -2.201 9.648 1.00 0.00 C ATOM 0 H ALA A 46 95.135 -1.906 8.645 1.00 0.00 H new ATOM 0 HA ALA A 46 93.953 -3.224 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.479 -2.909 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.347 -1.357 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.487 -1.844 8.800 1.00 0.00 H new ATOM 748 N GLY A 47 93.833 -4.536 7.382 1.00 0.00 N ATOM 749 CA GLY A 47 93.581 -5.720 6.553 1.00 0.00 C ATOM 750 C GLY A 47 92.588 -5.451 5.411 1.00 0.00 C ATOM 751 O GLY A 47 92.118 -6.396 4.770 1.00 0.00 O ATOM 0 H GLY A 47 94.713 -4.061 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.524 -6.070 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.195 -6.522 7.182 1.00 0.00 H new ATOM 755 N LYS A 48 92.277 -4.175 5.156 1.00 0.00 N ATOM 756 CA LYS A 48 91.338 -3.809 4.089 1.00 0.00 C ATOM 757 C LYS A 48 91.896 -2.661 3.251 1.00 0.00 C ATOM 758 O LYS A 48 92.608 -1.805 3.767 1.00 0.00 O ATOM 759 CB LYS A 48 89.976 -3.406 4.677 1.00 0.00 C ATOM 760 CG LYS A 48 90.152 -2.296 5.725 1.00 0.00 C ATOM 761 CD LYS A 48 88.785 -1.854 6.248 1.00 0.00 C ATOM 762 CE LYS A 48 88.974 -0.755 7.298 1.00 0.00 C ATOM 763 NZ LYS A 48 87.644 -0.316 7.810 1.00 0.00 N ATOM 0 H LYS A 48 92.659 -3.382 5.671 1.00 0.00 H new ATOM 0 HA LYS A 48 91.202 -4.681 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.316 -3.062 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.499 -4.273 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.768 -2.656 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.675 -1.447 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.171 -1.486 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.258 -2.703 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.587 -1.125 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.504 0.091 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.775 0.430 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 87.074 0.054 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.154 -1.125 8.242 1.00 0.00 H new ATOM 777 N GLN A 49 91.550 -2.646 1.964 1.00 0.00 N ATOM 778 CA GLN A 49 92.020 -1.597 1.059 1.00 0.00 C ATOM 779 C GLN A 49 91.244 -0.306 1.272 1.00 0.00 C ATOM 780 O GLN A 49 90.059 -0.328 1.612 1.00 0.00 O ATOM 781 CB GLN A 49 91.861 -2.043 -0.390 1.00 0.00 C ATOM 782 CG GLN A 49 92.659 -1.112 -1.300 1.00 0.00 C ATOM 783 CD GLN A 49 92.463 -1.511 -2.756 1.00 0.00 C ATOM 784 OE1 GLN A 49 91.667 -2.403 -3.056 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.143 -0.902 -3.688 1.00 0.00 N ATOM 0 H GLN A 49 90.949 -3.344 1.526 1.00 0.00 H new ATOM 0 HA GLN A 49 93.073 -1.416 1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.210 -3.069 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.808 -2.030 -0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.338 -0.081 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.717 -1.157 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 49 93.802 -0.164 -3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.016 -1.164 -4.666 1.00 0.00 H new ATOM 794 N LEU A 50 91.934 0.813 1.061 1.00 0.00 N ATOM 795 CA LEU A 50 91.328 2.127 1.225 1.00 0.00 C ATOM 796 C LEU A 50 90.780 2.620 -0.106 1.00 0.00 C ATOM 797 O LEU A 50 91.520 2.767 -1.081 1.00 0.00 O ATOM 798 CB LEU A 50 92.371 3.113 1.757 1.00 0.00 C ATOM 799 CG LEU A 50 92.762 2.735 3.190 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.007 3.524 3.600 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.616 3.077 4.152 1.00 0.00 C ATOM 0 H LEU A 50 92.913 0.833 0.776 1.00 0.00 H new ATOM 0 HA LEU A 50 90.507 2.054 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.252 3.105 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.971 4.127 1.735 1.00 0.00 H new ATOM 0 HG LEU A 50 92.966 1.665 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.288 3.257 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.828 3.286 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.794 4.592 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.901 2.806 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.409 4.146 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.723 2.522 3.865 1.00 0.00 H new ATOM 813 N GLU A 51 89.469 2.852 -0.134 1.00 0.00 N ATOM 814 CA GLU A 51 88.794 3.297 -1.349 1.00 0.00 C ATOM 815 C GLU A 51 89.192 4.726 -1.689 1.00 0.00 C ATOM 816 O GLU A 51 89.104 5.621 -0.848 1.00 0.00 O ATOM 817 CB GLU A 51 87.281 3.217 -1.160 1.00 0.00 C ATOM 818 CG GLU A 51 86.578 3.360 -2.518 1.00 0.00 C ATOM 819 CD GLU A 51 86.876 2.150 -3.416 1.00 0.00 C ATOM 820 OE1 GLU A 51 86.845 2.294 -4.633 1.00 0.00 O ATOM 821 OE2 GLU A 51 87.146 1.095 -2.871 1.00 0.00 O ATOM 0 H GLU A 51 88.854 2.739 0.672 1.00 0.00 H new ATOM 0 HA GLU A 51 89.093 2.645 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.013 2.266 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.948 4.004 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 51 85.502 3.451 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.910 4.274 -3.010 1.00 0.00 H new ATOM 828 N ASP A 52 89.648 4.920 -2.927 1.00 0.00 N ATOM 829 CA ASP A 52 90.085 6.234 -3.391 1.00 0.00 C ATOM 830 C ASP A 52 88.949 7.255 -3.331 1.00 0.00 C ATOM 831 O ASP A 52 89.184 8.431 -3.037 1.00 0.00 O ATOM 832 CB ASP A 52 90.607 6.127 -4.828 1.00 0.00 C ATOM 833 CG ASP A 52 91.957 5.410 -4.852 1.00 0.00 C ATOM 834 OD1 ASP A 52 92.785 5.708 -4.003 1.00 0.00 O ATOM 835 OD2 ASP A 52 92.147 4.577 -5.723 1.00 0.00 O ATOM 0 H ASP A 52 89.724 4.181 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 52 90.882 6.577 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.889 5.585 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.709 7.123 -5.260 1.00 0.00 H new ATOM 840 N GLY A 53 87.725 6.797 -3.624 1.00 0.00 N ATOM 841 CA GLY A 53 86.551 7.678 -3.624 1.00 0.00 C ATOM 842 C GLY A 53 85.993 7.921 -2.215 1.00 0.00 C ATOM 843 O GLY A 53 84.938 8.545 -2.068 1.00 0.00 O ATOM 0 H GLY A 53 87.523 5.826 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.819 8.634 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.772 7.239 -4.248 1.00 0.00 H new ATOM 847 N ARG A 54 86.702 7.437 -1.188 1.00 0.00 N ATOM 848 CA ARG A 54 86.270 7.612 0.197 1.00 0.00 C ATOM 849 C ARG A 54 87.248 8.495 0.958 1.00 0.00 C ATOM 850 O ARG A 54 88.389 8.688 0.528 1.00 0.00 O ATOM 851 CB ARG A 54 86.152 6.258 0.895 1.00 0.00 C ATOM 852 CG ARG A 54 84.957 5.498 0.322 1.00 0.00 C ATOM 853 CD ARG A 54 84.755 4.197 1.094 1.00 0.00 C ATOM 854 NE ARG A 54 83.625 3.451 0.529 1.00 0.00 N ATOM 855 CZ ARG A 54 82.350 3.677 0.895 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.040 4.589 1.787 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.398 2.972 0.350 1.00 0.00 N ATOM 0 H ARG A 54 87.576 6.922 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 54 85.293 8.095 0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.066 5.682 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.027 6.399 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.059 6.113 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.123 5.283 -0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.661 3.592 1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.569 4.413 2.146 1.00 0.00 H new ATOM 0 HE ARG A 54 83.814 2.732 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 54 82.774 5.148 2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.065 4.739 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.624 2.260 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.427 3.133 0.618 1.00 0.00 H new ATOM 871 N THR A 55 86.784 9.033 2.085 1.00 0.00 N ATOM 872 CA THR A 55 87.612 9.911 2.910 1.00 0.00 C ATOM 873 C THR A 55 88.168 9.166 4.117 1.00 0.00 C ATOM 874 O THR A 55 87.670 8.101 4.489 1.00 0.00 O ATOM 875 CB THR A 55 86.804 11.129 3.376 1.00 0.00 C ATOM 876 OG1 THR A 55 85.593 10.686 3.970 1.00 0.00 O ATOM 877 CG2 THR A 55 86.490 12.040 2.183 1.00 0.00 C ATOM 0 H THR A 55 85.843 8.877 2.447 1.00 0.00 H new ATOM 0 HA THR A 55 88.448 10.251 2.299 1.00 0.00 H new ATOM 0 HB THR A 55 87.388 11.691 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.021 10.283 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.916 12.902 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.421 12.380 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.909 11.486 1.445 1.00 0.00 H new ATOM 885 N LEU A 56 89.217 9.738 4.709 1.00 0.00 N ATOM 886 CA LEU A 56 89.871 9.138 5.868 1.00 0.00 C ATOM 887 C LEU A 56 88.903 9.006 7.040 1.00 0.00 C ATOM 888 O LEU A 56 88.898 7.980 7.727 1.00 0.00 O ATOM 889 CB LEU A 56 91.072 9.995 6.284 1.00 0.00 C ATOM 890 CG LEU A 56 92.162 9.935 5.201 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.192 11.038 5.451 1.00 0.00 C ATOM 892 CD2 LEU A 56 92.871 8.574 5.244 1.00 0.00 C ATOM 0 H LEU A 56 89.631 10.618 4.403 1.00 0.00 H new ATOM 0 HA LEU A 56 90.209 8.140 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.757 11.027 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.472 9.639 7.234 1.00 0.00 H new ATOM 0 HG LEU A 56 91.697 10.073 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 56 93.965 10.995 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.700 12.010 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.647 10.896 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.641 8.541 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.330 8.434 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.146 7.780 5.066 1.00 0.00 H new ATOM 904 N SER A 57 88.086 10.039 7.260 1.00 0.00 N ATOM 905 CA SER A 57 87.119 10.019 8.360 1.00 0.00 C ATOM 906 C SER A 57 86.162 8.836 8.216 1.00 0.00 C ATOM 907 O SER A 57 85.766 8.225 9.211 1.00 0.00 O ATOM 908 CB SER A 57 86.321 11.322 8.386 1.00 0.00 C ATOM 909 OG SER A 57 87.157 12.377 8.843 1.00 0.00 O ATOM 0 H SER A 57 88.074 10.890 6.698 1.00 0.00 H new ATOM 0 HA SER A 57 87.670 9.915 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.941 11.549 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.456 11.219 9.041 1.00 0.00 H new ATOM 0 HG SER A 57 86.648 13.214 8.859 1.00 0.00 H new ATOM 915 N ASP A 58 85.801 8.523 6.967 1.00 0.00 N ATOM 916 CA ASP A 58 84.887 7.418 6.686 1.00 0.00 C ATOM 917 C ASP A 58 85.498 6.065 7.058 1.00 0.00 C ATOM 918 O ASP A 58 84.778 5.069 7.167 1.00 0.00 O ATOM 919 CB ASP A 58 84.517 7.420 5.198 1.00 0.00 C ATOM 920 CG ASP A 58 83.626 8.620 4.864 1.00 0.00 C ATOM 921 OD1 ASP A 58 82.945 9.114 5.756 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.620 9.018 3.712 1.00 0.00 O ATOM 0 H ASP A 58 86.128 9.020 6.138 1.00 0.00 H new ATOM 0 HA ASP A 58 83.995 7.562 7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.423 7.454 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 58 83.999 6.495 4.946 1.00 0.00 H new ATOM 927 N TYR A 59 86.821 6.034 7.250 1.00 0.00 N ATOM 928 CA TYR A 59 87.516 4.797 7.606 1.00 0.00 C ATOM 929 C TYR A 59 87.902 4.752 9.084 1.00 0.00 C ATOM 930 O TYR A 59 88.629 3.846 9.496 1.00 0.00 O ATOM 931 CB TYR A 59 88.779 4.638 6.747 1.00 0.00 C ATOM 932 CG TYR A 59 88.429 4.025 5.409 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.392 4.821 4.265 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.135 2.655 5.322 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.066 4.256 3.031 1.00 0.00 C ATOM 936 CE2 TYR A 59 87.807 2.088 4.084 1.00 0.00 C ATOM 937 CZ TYR A 59 87.773 2.891 2.939 1.00 0.00 C ATOM 938 OH TYR A 59 87.450 2.337 1.719 1.00 0.00 O ATOM 0 H TYR A 59 87.428 6.849 7.165 1.00 0.00 H new ATOM 0 HA TYR A 59 86.825 3.976 7.417 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.250 5.609 6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.503 4.009 7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.616 5.875 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.162 2.039 6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.040 4.874 2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.581 1.034 4.014 1.00 0.00 H new ATOM 0 HH TYR A 59 87.276 1.379 1.831 1.00 0.00 H new ATOM 948 N ASN A 60 87.418 5.712 9.884 1.00 0.00 N ATOM 949 CA ASN A 60 87.727 5.735 11.312 1.00 0.00 C ATOM 950 C ASN A 60 89.242 5.730 11.537 1.00 0.00 C ATOM 951 O ASN A 60 89.777 4.900 12.280 1.00 0.00 O ATOM 952 CB ASN A 60 87.074 4.528 12.003 1.00 0.00 C ATOM 953 CG ASN A 60 85.554 4.621 11.901 1.00 0.00 C ATOM 954 OD1 ASN A 60 84.990 5.711 11.988 1.00 0.00 O ATOM 955 ND2 ASN A 60 84.856 3.535 11.718 1.00 0.00 N ATOM 0 H ASN A 60 86.818 6.473 9.567 1.00 0.00 H new ATOM 0 HA ASN A 60 87.325 6.651 11.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.421 3.604 11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.374 4.493 13.050 1.00 0.00 H new ATOM 0 HD21 ASN A 60 83.840 3.588 11.647 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.326 2.633 11.646 1.00 0.00 H new ATOM 962 N ILE A 61 89.927 6.678 10.890 1.00 0.00 N ATOM 963 CA ILE A 61 91.378 6.803 11.028 1.00 0.00 C ATOM 964 C ILE A 61 91.681 7.998 11.929 1.00 0.00 C ATOM 965 O ILE A 61 91.292 9.128 11.623 1.00 0.00 O ATOM 966 CB ILE A 61 92.035 6.999 9.645 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.686 5.809 8.731 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.565 7.079 9.804 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.033 6.146 7.277 1.00 0.00 C ATOM 0 H ILE A 61 89.501 7.366 10.269 1.00 0.00 H new ATOM 0 HA ILE A 61 91.784 5.893 11.470 1.00 0.00 H new ATOM 0 HB ILE A 61 91.663 7.923 9.202 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.235 4.923 9.049 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.625 5.574 8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.026 7.217 8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.820 7.921 10.448 1.00 0.00 H new ATOM 0 HG23 ILE A 61 93.933 6.156 10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.783 5.299 6.638 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.464 7.020 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.099 6.359 7.197 1.00 0.00 H new ATOM 981 N GLN A 62 92.365 7.731 13.039 1.00 0.00 N ATOM 982 CA GLN A 62 92.700 8.776 14.000 1.00 0.00 C ATOM 983 C GLN A 62 94.117 9.302 13.769 1.00 0.00 C ATOM 984 O GLN A 62 94.789 8.911 12.811 1.00 0.00 O ATOM 985 CB GLN A 62 92.562 8.224 15.427 1.00 0.00 C ATOM 986 CG GLN A 62 91.082 7.966 15.735 1.00 0.00 C ATOM 987 CD GLN A 62 90.928 7.321 17.112 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.692 6.428 17.472 1.00 0.00 O ATOM 989 NE2 GLN A 62 89.973 7.727 17.905 1.00 0.00 N ATOM 0 H GLN A 62 92.697 6.801 13.294 1.00 0.00 H new ATOM 0 HA GLN A 62 92.009 9.608 13.865 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.132 7.300 15.528 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.975 8.933 16.144 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.528 8.904 15.702 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.653 7.316 14.972 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.340 8.468 17.604 1.00 0.00 H new ATOM 0 HE22 GLN A 62 89.860 7.303 18.826 1.00 0.00 H new ATOM 998 N LYS A 63 94.553 10.187 14.665 1.00 0.00 N ATOM 999 CA LYS A 63 95.880 10.789 14.589 1.00 0.00 C ATOM 1000 C LYS A 63 96.957 9.794 14.993 1.00 0.00 C ATOM 1001 O LYS A 63 96.731 8.929 15.844 1.00 0.00 O ATOM 1002 CB LYS A 63 95.935 11.996 15.522 1.00 0.00 C ATOM 1003 CG LYS A 63 94.990 13.078 15.000 1.00 0.00 C ATOM 1004 CD LYS A 63 95.043 14.297 15.920 1.00 0.00 C ATOM 1005 CE LYS A 63 94.182 15.418 15.334 1.00 0.00 C ATOM 1006 NZ LYS A 63 92.741 15.121 15.576 1.00 0.00 N ATOM 0 H LYS A 63 93.998 10.504 15.460 1.00 0.00 H new ATOM 0 HA LYS A 63 96.063 11.095 13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.649 11.703 16.532 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.953 12.381 15.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.273 13.363 13.987 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.972 12.692 14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.685 14.031 16.914 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.073 14.636 16.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.449 16.371 15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.369 15.513 14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 92.161 15.915 15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 92.474 14.255 15.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 92.581 14.985 16.595 1.00 0.00 H new ATOM 1020 N GLU A 64 98.131 9.926 14.368 1.00 0.00 N ATOM 1021 CA GLU A 64 99.262 9.043 14.657 1.00 0.00 C ATOM 1022 C GLU A 64 98.911 7.586 14.353 1.00 0.00 C ATOM 1023 O GLU A 64 99.032 6.702 15.209 1.00 0.00 O ATOM 1024 CB GLU A 64 99.684 9.196 16.120 1.00 0.00 C ATOM 1025 CG GLU A 64 100.544 10.461 16.291 1.00 0.00 C ATOM 1026 CD GLU A 64 102.043 10.131 16.174 1.00 0.00 C ATOM 1027 OE1 GLU A 64 102.808 10.979 15.719 1.00 0.00 O ATOM 1028 OE2 GLU A 64 102.408 9.029 16.541 1.00 0.00 O ATOM 0 H GLU A 64 98.322 10.635 13.660 1.00 0.00 H new ATOM 0 HA GLU A 64 100.095 9.329 14.015 1.00 0.00 H new ATOM 0 HB2 GLU A 64 98.802 9.258 16.757 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.246 8.318 16.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 100.270 11.196 15.534 1.00 0.00 H new ATOM 0 HG3 GLU A 64 100.343 10.913 17.262 1.00 0.00 H new ATOM 1035 N SER A 65 98.476 7.353 13.116 1.00 0.00 N ATOM 1036 CA SER A 65 98.112 6.014 12.667 1.00 0.00 C ATOM 1037 C SER A 65 99.139 5.514 11.662 1.00 0.00 C ATOM 1038 O SER A 65 99.671 6.301 10.875 1.00 0.00 O ATOM 1039 CB SER A 65 96.721 6.029 12.034 1.00 0.00 C ATOM 1040 OG SER A 65 95.749 6.264 13.044 1.00 0.00 O ATOM 0 H SER A 65 98.367 8.078 12.406 1.00 0.00 H new ATOM 0 HA SER A 65 98.096 5.343 13.526 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.664 6.805 11.271 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.524 5.079 11.538 1.00 0.00 H new ATOM 0 HG SER A 65 95.414 7.182 12.968 1.00 0.00 H new ATOM 1046 N THR A 66 99.415 4.209 11.694 1.00 0.00 N ATOM 1047 CA THR A 66 100.392 3.621 10.782 1.00 0.00 C ATOM 1048 C THR A 66 99.694 2.868 9.655 1.00 0.00 C ATOM 1049 O THR A 66 98.947 1.916 9.896 1.00 0.00 O ATOM 1050 CB THR A 66 101.312 2.667 11.546 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.816 3.326 12.701 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.481 2.251 10.648 1.00 0.00 C ATOM 0 H THR A 66 98.980 3.546 12.336 1.00 0.00 H new ATOM 0 HA THR A 66 100.984 4.427 10.348 1.00 0.00 H new ATOM 0 HB THR A 66 100.751 1.781 11.843 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.405 2.717 13.194 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.135 1.571 11.194 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.097 1.750 9.760 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.044 3.136 10.350 1.00 0.00 H new ATOM 1060 N LEU A 67 99.954 3.309 8.424 1.00 0.00 N ATOM 1061 CA LEU A 67 99.369 2.682 7.243 1.00 0.00 C ATOM 1062 C LEU A 67 100.384 1.767 6.572 1.00 0.00 C ATOM 1063 O LEU A 67 101.572 1.795 6.906 1.00 0.00 O ATOM 1064 CB LEU A 67 98.924 3.760 6.248 1.00 0.00 C ATOM 1065 CG LEU A 67 97.782 4.591 6.847 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.617 5.885 6.048 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.472 3.799 6.784 1.00 0.00 C ATOM 0 H LEU A 67 100.567 4.099 8.221 1.00 0.00 H new ATOM 0 HA LEU A 67 98.507 2.092 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.765 4.408 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.597 3.295 5.318 1.00 0.00 H new ATOM 0 HG LEU A 67 98.020 4.823 7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.805 6.475 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.543 6.459 6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.385 5.645 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.666 4.395 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.239 3.564 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.579 2.874 7.351 1.00 0.00 H new ATOM 1079 N HIS A 68 99.909 0.969 5.617 1.00 0.00 N ATOM 1080 CA HIS A 68 100.775 0.052 4.886 1.00 0.00 C ATOM 1081 C HIS A 68 100.747 0.375 3.402 1.00 0.00 C ATOM 1082 O HIS A 68 99.677 0.559 2.820 1.00 0.00 O ATOM 1083 CB HIS A 68 100.324 -1.393 5.105 1.00 0.00 C ATOM 1084 CG HIS A 68 101.015 -1.951 6.318 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.054 -1.268 7.522 1.00 0.00 N ATOM 1086 CD2 HIS A 68 101.698 -3.123 6.528 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.739 -2.026 8.396 1.00 0.00 C ATOM 1088 NE2 HIS A 68 102.155 -3.169 7.843 1.00 0.00 N ATOM 0 H HIS A 68 98.930 0.941 5.333 1.00 0.00 H new ATOM 0 HA HIS A 68 101.793 0.168 5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.243 -1.432 5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.560 -1.996 4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 68 101.857 -3.892 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 68 101.930 -1.745 9.421 1.00 0.00 H new ATOM 0 HE2 HIS A 68 102.691 -3.914 8.288 1.00 0.00 H new ATOM 1096 N LEU A 69 101.931 0.444 2.797 1.00 0.00 N ATOM 1097 CA LEU A 69 102.045 0.744 1.375 1.00 0.00 C ATOM 1098 C LEU A 69 102.524 -0.485 0.617 1.00 0.00 C ATOM 1099 O LEU A 69 103.490 -1.139 1.023 1.00 0.00 O ATOM 1100 CB LEU A 69 103.034 1.892 1.142 1.00 0.00 C ATOM 1101 CG LEU A 69 102.940 2.369 -0.319 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.676 3.212 -0.500 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.168 3.210 -0.674 1.00 0.00 C ATOM 0 H LEU A 69 102.823 0.296 3.270 1.00 0.00 H new ATOM 0 HA LEU A 69 101.061 1.040 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.814 2.717 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 69 104.049 1.561 1.362 1.00 0.00 H new ATOM 0 HG LEU A 69 102.899 1.501 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.609 3.550 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.800 2.611 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.717 4.077 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.094 3.543 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.217 4.078 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 105.069 2.609 -0.550 1.00 0.00 H new ATOM 1115 N VAL A 70 101.853 -0.779 -0.494 1.00 0.00 N ATOM 1116 CA VAL A 70 102.204 -1.917 -1.334 1.00 0.00 C ATOM 1117 C VAL A 70 102.427 -1.392 -2.748 1.00 0.00 C ATOM 1118 O VAL A 70 101.828 -0.383 -3.131 1.00 0.00 O ATOM 1119 CB VAL A 70 101.069 -2.960 -1.330 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.480 -4.182 -2.165 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.770 -3.409 0.110 1.00 0.00 C ATOM 0 H VAL A 70 101.057 -0.239 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 70 103.104 -2.403 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 70 100.176 -2.507 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.674 -4.915 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.679 -3.871 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.379 -4.628 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.967 -4.146 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.665 -3.853 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.466 -2.547 0.704 1.00 0.00 H new ATOM 1131 N LEU A 71 103.284 -2.066 -3.521 1.00 0.00 N ATOM 1132 CA LEU A 71 103.559 -1.637 -4.891 1.00 0.00 C ATOM 1133 C LEU A 71 103.031 -2.666 -5.881 1.00 0.00 C ATOM 1134 O LEU A 71 103.364 -3.851 -5.790 1.00 0.00 O ATOM 1135 CB LEU A 71 105.064 -1.448 -5.100 1.00 0.00 C ATOM 1136 CG LEU A 71 105.315 -0.699 -6.420 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.026 0.794 -6.233 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.775 -0.876 -6.848 1.00 0.00 C ATOM 0 H LEU A 71 103.792 -2.899 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 71 103.055 -0.685 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.489 -0.888 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.562 -2.417 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 71 104.657 -1.106 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.205 1.320 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 71 103.986 0.929 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.680 1.197 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.947 -0.344 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.432 -0.475 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.987 -1.936 -6.990 1.00 0.00 H new ATOM 1150 N ARG A 72 102.219 -2.199 -6.832 1.00 0.00 N ATOM 1151 CA ARG A 72 101.649 -3.077 -7.842 1.00 0.00 C ATOM 1152 C ARG A 72 102.409 -2.919 -9.163 1.00 0.00 C ATOM 1153 O ARG A 72 102.075 -2.066 -9.989 1.00 0.00 O ATOM 1154 CB ARG A 72 100.167 -2.749 -8.040 1.00 0.00 C ATOM 1155 CG ARG A 72 99.543 -3.757 -9.011 1.00 0.00 C ATOM 1156 CD ARG A 72 98.077 -3.417 -9.218 1.00 0.00 C ATOM 1157 NE ARG A 72 97.459 -4.385 -10.128 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.145 -4.371 -10.418 1.00 0.00 C ATOM 1159 NH1 ARG A 72 95.333 -3.478 -9.896 1.00 0.00 N ATOM 1160 NH2 ARG A 72 95.664 -5.262 -11.236 1.00 0.00 N ATOM 0 H ARG A 72 101.945 -1.220 -6.919 1.00 0.00 H new ATOM 0 HA ARG A 72 101.739 -4.111 -7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.646 -2.780 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.057 -1.737 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.071 -3.735 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.641 -4.768 -8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.556 -3.422 -8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.983 -2.411 -9.627 1.00 0.00 H new ATOM 0 HE ARG A 72 98.048 -5.098 -10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.695 -2.773 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.341 -3.490 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 72 96.281 -5.961 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 72 94.670 -5.261 -11.463 1.00 0.00 H new ATOM 1174 N LEU A 73 103.425 -3.754 -9.344 1.00 0.00 N ATOM 1175 CA LEU A 73 104.234 -3.718 -10.556 1.00 0.00 C ATOM 1176 C LEU A 73 103.423 -4.203 -11.747 1.00 0.00 C ATOM 1177 O LEU A 73 102.552 -5.066 -11.604 1.00 0.00 O ATOM 1178 CB LEU A 73 105.478 -4.595 -10.384 1.00 0.00 C ATOM 1179 CG LEU A 73 106.422 -3.962 -9.352 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.457 -4.996 -8.905 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.150 -2.765 -9.977 1.00 0.00 C ATOM 0 H LEU A 73 103.708 -4.463 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 73 104.544 -2.689 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.188 -5.594 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 73 105.991 -4.706 -11.339 1.00 0.00 H new ATOM 0 HG LEU A 73 105.838 -3.627 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 73 108.127 -4.547 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 73 106.948 -5.849 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.034 -5.330 -9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.818 -2.320 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.730 -3.100 -10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.420 -2.023 -10.299 1.00 0.00 H new ATOM 1193 N ARG A 74 103.723 -3.651 -12.923 1.00 0.00 N ATOM 1194 CA ARG A 74 103.029 -4.037 -14.145 1.00 0.00 C ATOM 1195 C ARG A 74 103.415 -5.463 -14.537 1.00 0.00 C ATOM 1196 O ARG A 74 102.559 -6.263 -14.923 1.00 0.00 O ATOM 1197 CB ARG A 74 103.384 -3.068 -15.276 1.00 0.00 C ATOM 1198 CG ARG A 74 102.552 -3.405 -16.516 1.00 0.00 C ATOM 1199 CD ARG A 74 102.948 -2.484 -17.669 1.00 0.00 C ATOM 1200 NE ARG A 74 102.054 -2.702 -18.812 1.00 0.00 N ATOM 1201 CZ ARG A 74 100.905 -2.022 -18.980 1.00 0.00 C ATOM 1202 NH1 ARG A 74 100.508 -1.112 -18.120 1.00 0.00 N ATOM 1203 NH2 ARG A 74 100.170 -2.266 -20.029 1.00 0.00 N ATOM 0 H ARG A 74 104.440 -2.937 -13.052 1.00 0.00 H new ATOM 0 HA ARG A 74 101.954 -3.998 -13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.192 -2.042 -14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 74 104.447 -3.137 -15.508 1.00 0.00 H new ATOM 0 HG2 ARG A 74 102.709 -4.446 -16.799 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.491 -3.291 -16.295 1.00 0.00 H new ATOM 0 HD2 ARG A 74 102.896 -1.443 -17.349 1.00 0.00 H new ATOM 0 HD3 ARG A 74 103.980 -2.676 -17.962 1.00 0.00 H new ATOM 0 HE ARG A 74 102.315 -3.399 -19.509 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.076 -0.905 -17.298 1.00 0.00 H new ATOM 0 HH12 ARG A 74 99.632 -0.613 -18.274 1.00 0.00 H new ATOM 0 HH21 ARG A 74 100.468 -2.965 -20.709 1.00 0.00 H new ATOM 0 HH22 ARG A 74 99.297 -1.758 -20.169 1.00 0.00 H new ATOM 1217 N GLY A 75 104.711 -5.767 -14.421 1.00 0.00 N ATOM 1218 CA GLY A 75 105.220 -7.098 -14.750 1.00 0.00 C ATOM 1219 C GLY A 75 105.439 -7.922 -13.489 1.00 0.00 C ATOM 1220 O GLY A 75 104.746 -8.918 -13.263 1.00 0.00 O ATOM 0 H GLY A 75 105.424 -5.110 -14.103 1.00 0.00 H new ATOM 0 HA2 GLY A 75 104.515 -7.609 -15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 106.158 -7.008 -15.298 1.00 0.00 H new ATOM 1224 N GLY A 76 106.411 -7.503 -12.676 1.00 0.00 N ATOM 1225 CA GLY A 76 106.729 -8.205 -11.435 1.00 0.00 C ATOM 1226 C GLY A 76 108.096 -8.875 -11.525 1.00 0.00 C ATOM 1227 O GLY A 76 109.013 -8.394 -10.880 1.00 0.00 O ATOM 1228 OXT GLY A 76 108.205 -9.858 -12.238 1.00 0.00 O ATOM 0 H GLY A 76 106.989 -6.682 -12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 76 106.718 -7.502 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 76 105.965 -8.955 -11.230 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 116.076 -13.101 -9.847 1.00 0.00 N ATOM 1234 CA GLN B 198 116.007 -12.422 -8.522 1.00 0.00 C ATOM 1235 C GLN B 198 114.543 -12.157 -8.176 1.00 0.00 C ATOM 1236 O GLN B 198 113.903 -11.286 -8.771 1.00 0.00 O ATOM 1237 CB GLN B 198 116.791 -11.106 -8.586 1.00 0.00 C ATOM 1238 CG GLN B 198 116.840 -10.454 -7.196 1.00 0.00 C ATOM 1239 CD GLN B 198 117.582 -9.119 -7.254 1.00 0.00 C ATOM 1240 OE1 GLN B 198 118.395 -8.895 -8.151 1.00 0.00 O ATOM 1241 NE2 GLN B 198 117.340 -8.211 -6.347 1.00 0.00 N ATOM 0 HA GLN B 198 116.446 -13.054 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.803 -11.293 -8.944 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.321 -10.428 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN B 198 115.827 -10.297 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN B 198 117.337 -11.122 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN B 198 116.666 -8.399 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN B 198 117.825 -7.314 -6.381 1.00 0.00 H new ATOM 1250 N VAL B 199 114.028 -12.919 -7.211 1.00 0.00 N ATOM 1251 CA VAL B 199 112.641 -12.777 -6.775 1.00 0.00 C ATOM 1252 C VAL B 199 112.606 -12.329 -5.315 1.00 0.00 C ATOM 1253 O VAL B 199 113.287 -12.904 -4.463 1.00 0.00 O ATOM 1254 CB VAL B 199 111.881 -14.109 -6.935 1.00 0.00 C ATOM 1255 CG1 VAL B 199 111.808 -14.506 -8.417 1.00 0.00 C ATOM 1256 CG2 VAL B 199 112.598 -15.220 -6.159 1.00 0.00 C ATOM 0 H VAL B 199 114.552 -13.641 -6.717 1.00 0.00 H new ATOM 0 HA VAL B 199 112.154 -12.026 -7.397 1.00 0.00 H new ATOM 0 HB VAL B 199 110.873 -13.977 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL B 199 111.269 -15.448 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL B 199 111.286 -13.729 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL B 199 112.817 -14.622 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL B 199 112.054 -16.157 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL B 199 113.611 -15.337 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL B 199 112.640 -14.957 -5.102 1.00 0.00 H new ATOM 1266 N THR B 200 111.808 -11.300 -5.045 1.00 0.00 N ATOM 1267 CA THR B 200 111.675 -10.766 -3.691 1.00 0.00 C ATOM 1268 C THR B 200 110.387 -11.266 -3.050 1.00 0.00 C ATOM 1269 O THR B 200 109.512 -11.802 -3.735 1.00 0.00 O ATOM 1270 CB THR B 200 111.672 -9.230 -3.735 1.00 0.00 C ATOM 1271 OG1 THR B 200 110.583 -8.785 -4.529 1.00 0.00 O ATOM 1272 CG2 THR B 200 112.988 -8.718 -4.337 1.00 0.00 C ATOM 0 H THR B 200 111.243 -10.819 -5.745 1.00 0.00 H new ATOM 0 HA THR B 200 112.520 -11.108 -3.094 1.00 0.00 H new ATOM 0 HB THR B 200 111.571 -8.843 -2.721 1.00 0.00 H new ATOM 0 HG1 THR B 200 110.456 -7.822 -4.400 1.00 0.00 H new ATOM 0 HG21 THR B 200 112.976 -7.628 -4.364 1.00 0.00 H new ATOM 0 HG22 THR B 200 113.824 -9.057 -3.725 1.00 0.00 H new ATOM 0 HG23 THR B 200 113.099 -9.105 -5.350 1.00 0.00 H new ATOM 1280 N LYS B 201 110.282 -11.078 -1.738 1.00 0.00 N ATOM 1281 CA LYS B 201 109.100 -11.494 -0.996 1.00 0.00 C ATOM 1282 C LYS B 201 108.639 -10.385 -0.059 1.00 0.00 C ATOM 1283 O LYS B 201 109.452 -9.602 0.440 1.00 0.00 O ATOM 1284 CB LYS B 201 109.399 -12.768 -0.203 1.00 0.00 C ATOM 1285 CG LYS B 201 109.599 -13.932 -1.178 1.00 0.00 C ATOM 1286 CD LYS B 201 109.980 -15.191 -0.401 1.00 0.00 C ATOM 1287 CE LYS B 201 110.222 -16.340 -1.381 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.574 -17.571 -0.619 1.00 0.00 N ATOM 0 H LYS B 201 111.004 -10.639 -1.167 1.00 0.00 H new ATOM 0 HA LYS B 201 108.299 -11.700 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.292 -12.630 0.406 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.578 -12.987 0.480 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.685 -14.105 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.380 -13.687 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.877 -15.009 0.191 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.186 -15.455 0.297 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.330 -16.514 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS B 201 111.026 -16.082 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.739 -18.355 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.436 -17.400 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.793 -17.818 0.021 1.00 0.00 H new ATOM 1302 N VAL B 202 107.332 -10.333 0.169 1.00 0.00 N ATOM 1303 CA VAL B 202 106.737 -9.329 1.049 1.00 0.00 C ATOM 1304 C VAL B 202 105.624 -9.950 1.884 1.00 0.00 C ATOM 1305 O VAL B 202 104.814 -10.727 1.373 1.00 0.00 O ATOM 1306 CB VAL B 202 106.192 -8.146 0.236 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.351 -7.422 -0.458 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.191 -8.642 -0.823 1.00 0.00 C ATOM 0 H VAL B 202 106.659 -10.978 -0.245 1.00 0.00 H new ATOM 0 HA VAL B 202 107.514 -8.958 1.717 1.00 0.00 H new ATOM 0 HB VAL B 202 105.682 -7.460 0.912 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.962 -6.583 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.051 -7.054 0.292 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.865 -8.114 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.813 -7.793 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.690 -9.338 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.361 -9.147 -0.330 1.00 0.00 H new ATOM 1318 N ASP B 203 105.605 -9.609 3.172 1.00 0.00 N ATOM 1319 CA ASP B 203 104.610 -10.149 4.094 1.00 0.00 C ATOM 1320 C ASP B 203 103.228 -9.572 3.801 1.00 0.00 C ATOM 1321 O ASP B 203 103.115 -8.431 3.342 1.00 0.00 O ATOM 1322 CB ASP B 203 105.008 -9.813 5.532 1.00 0.00 C ATOM 1323 CG ASP B 203 106.309 -10.519 5.897 1.00 0.00 C ATOM 1324 OD1 ASP B 203 106.442 -11.687 5.566 1.00 0.00 O ATOM 1325 OD2 ASP B 203 107.155 -9.884 6.507 1.00 0.00 O ATOM 0 H ASP B 203 106.267 -8.962 3.599 1.00 0.00 H new ATOM 0 HA ASP B 203 104.570 -11.230 3.964 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.128 -8.735 5.642 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.216 -10.117 6.217 1.00 0.00 H new ATOM 1330 N CYS B 204 102.183 -10.358 4.080 1.00 0.00 N ATOM 1331 CA CYS B 204 100.810 -9.888 3.847 1.00 0.00 C ATOM 1332 C CYS B 204 100.277 -9.144 5.093 1.00 0.00 C ATOM 1333 O CYS B 204 100.263 -9.721 6.175 1.00 0.00 O ATOM 1334 CB CYS B 204 99.866 -11.048 3.506 1.00 0.00 C ATOM 1335 SG CYS B 204 98.193 -10.407 3.167 1.00 0.00 S ATOM 0 H CYS B 204 102.255 -11.302 4.459 1.00 0.00 H new ATOM 0 HA CYS B 204 100.840 -9.207 2.997 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.240 -11.590 2.637 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.833 -11.757 4.334 1.00 0.00 H new ATOM 1340 N PRO B 205 99.831 -7.895 4.985 1.00 0.00 N ATOM 1341 CA PRO B 205 99.297 -7.133 6.173 1.00 0.00 C ATOM 1342 C PRO B 205 97.910 -7.630 6.624 1.00 0.00 C ATOM 1343 O PRO B 205 97.425 -7.265 7.698 1.00 0.00 O ATOM 1344 CB PRO B 205 99.214 -5.681 5.668 1.00 0.00 C ATOM 1345 CG PRO B 205 99.105 -5.764 4.183 1.00 0.00 C ATOM 1346 CD PRO B 205 99.774 -7.071 3.753 1.00 0.00 C ATOM 0 HA PRO B 205 99.935 -7.256 7.048 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.351 -5.169 6.094 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.098 -5.115 5.963 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.060 -5.746 3.872 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.592 -4.910 3.713 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.201 -7.569 2.971 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.771 -6.891 3.352 1.00 0.00 H new ATOM 1354 N VAL B 206 97.285 -8.445 5.774 1.00 0.00 N ATOM 1355 CA VAL B 206 95.945 -8.992 6.022 1.00 0.00 C ATOM 1356 C VAL B 206 96.004 -10.287 6.805 1.00 0.00 C ATOM 1357 O VAL B 206 95.233 -10.503 7.743 1.00 0.00 O ATOM 1358 CB VAL B 206 95.282 -9.345 4.675 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.813 -9.772 4.883 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.350 -8.175 3.692 1.00 0.00 C ATOM 0 H VAL B 206 97.693 -8.747 4.889 1.00 0.00 H new ATOM 0 HA VAL B 206 95.391 -8.237 6.580 1.00 0.00 H new ATOM 0 HB VAL B 206 95.838 -10.180 4.249 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.365 -10.016 3.920 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.777 -10.647 5.532 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.258 -8.955 5.344 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.873 -8.460 2.754 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.833 -7.314 4.115 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.392 -7.917 3.505 1.00 0.00 H new ATOM 1370 N CYS B 207 96.862 -11.178 6.328 1.00 0.00 N ATOM 1371 CA CYS B 207 96.973 -12.504 6.893 1.00 0.00 C ATOM 1372 C CYS B 207 98.405 -12.860 7.286 1.00 0.00 C ATOM 1373 O CYS B 207 98.621 -13.845 7.994 1.00 0.00 O ATOM 1374 CB CYS B 207 96.410 -13.471 5.845 1.00 0.00 C ATOM 1375 SG CYS B 207 97.636 -13.826 4.548 1.00 0.00 S ATOM 0 H CYS B 207 97.492 -10.999 5.546 1.00 0.00 H new ATOM 0 HA CYS B 207 96.410 -12.565 7.824 1.00 0.00 H new ATOM 0 HB2 CYS B 207 96.110 -14.400 6.329 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.515 -13.042 5.395 1.00 0.00 H new ATOM 1380 N GLY B 208 99.365 -12.070 6.816 1.00 0.00 N ATOM 1381 CA GLY B 208 100.763 -12.323 7.115 1.00 0.00 C ATOM 1382 C GLY B 208 101.180 -13.691 6.601 1.00 0.00 C ATOM 1383 O GLY B 208 101.243 -14.656 7.362 1.00 0.00 O ATOM 0 H GLY B 208 99.198 -11.253 6.229 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.384 -11.552 6.658 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.926 -12.267 8.191 1.00 0.00 H new ATOM 1387 N VAL B 209 101.474 -13.755 5.303 1.00 0.00 N ATOM 1388 CA VAL B 209 101.919 -14.989 4.667 1.00 0.00 C ATOM 1389 C VAL B 209 103.090 -14.685 3.737 1.00 0.00 C ATOM 1390 O VAL B 209 103.087 -13.671 3.030 1.00 0.00 O ATOM 1391 CB VAL B 209 100.751 -15.637 3.901 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.242 -16.798 3.021 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.730 -16.176 4.908 1.00 0.00 C ATOM 0 H VAL B 209 101.410 -12.958 4.669 1.00 0.00 H new ATOM 0 HA VAL B 209 102.254 -15.696 5.426 1.00 0.00 H new ATOM 0 HB VAL B 209 100.298 -14.881 3.260 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.396 -17.237 2.492 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.968 -16.425 2.298 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.711 -17.557 3.648 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.900 -16.637 4.373 1.00 0.00 H new ATOM 0 HG22 VAL B 209 100.207 -16.919 5.547 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.356 -15.356 5.521 1.00 0.00 H new ATOM 1403 N ASN B 210 104.068 -15.588 3.727 1.00 0.00 N ATOM 1404 CA ASN B 210 105.232 -15.430 2.870 1.00 0.00 C ATOM 1405 C ASN B 210 104.796 -15.568 1.424 1.00 0.00 C ATOM 1406 O ASN B 210 104.276 -16.615 1.022 1.00 0.00 O ATOM 1407 CB ASN B 210 106.279 -16.490 3.203 1.00 0.00 C ATOM 1408 CG ASN B 210 107.661 -15.996 2.803 1.00 0.00 C ATOM 1409 OD1 ASN B 210 108.373 -16.670 2.060 1.00 0.00 O ATOM 1410 ND2 ASN B 210 108.081 -14.846 3.251 1.00 0.00 N ATOM 0 H ASN B 210 104.075 -16.431 4.301 1.00 0.00 H new ATOM 0 HA ASN B 210 105.674 -14.447 3.031 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.257 -16.712 4.270 1.00 0.00 H new ATOM 0 HB3 ASN B 210 106.049 -17.418 2.679 1.00 0.00 H new ATOM 0 HD21 ASN B 210 109.004 -14.501 2.986 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.487 -14.291 3.867 1.00 0.00 H new ATOM 1417 N ILE B 211 104.989 -14.500 0.649 1.00 0.00 N ATOM 1418 CA ILE B 211 104.592 -14.513 -0.756 1.00 0.00 C ATOM 1419 C ILE B 211 105.520 -13.612 -1.591 1.00 0.00 C ATOM 1420 O ILE B 211 105.893 -12.530 -1.133 1.00 0.00 O ATOM 1421 CB ILE B 211 103.127 -14.044 -0.928 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.198 -14.862 -0.010 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.683 -14.242 -2.393 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.786 -14.284 -0.029 1.00 0.00 C ATOM 0 H ILE B 211 105.412 -13.628 0.966 1.00 0.00 H new ATOM 0 HA ILE B 211 104.674 -15.541 -1.110 1.00 0.00 H new ATOM 0 HB ILE B 211 103.066 -12.989 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.176 -15.901 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.586 -14.856 1.009 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.651 -13.910 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.327 -13.659 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.756 -15.297 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.143 -14.873 0.624 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.811 -13.252 0.321 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.395 -14.313 -1.046 1.00 0.00 H new ATOM 1436 N PRO B 212 105.879 -14.007 -2.815 1.00 0.00 N ATOM 1437 CA PRO B 212 106.743 -13.167 -3.698 1.00 0.00 C ATOM 1438 C PRO B 212 106.122 -11.792 -3.916 1.00 0.00 C ATOM 1439 O PRO B 212 104.905 -11.631 -3.795 1.00 0.00 O ATOM 1440 CB PRO B 212 106.826 -13.953 -5.013 1.00 0.00 C ATOM 1441 CG PRO B 212 106.482 -15.359 -4.665 1.00 0.00 C ATOM 1442 CD PRO B 212 105.526 -15.281 -3.494 1.00 0.00 C ATOM 0 HA PRO B 212 107.727 -12.985 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.133 -13.552 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.825 -13.890 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.021 -15.868 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.376 -15.925 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.488 -15.280 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.645 -16.134 -2.826 1.00 0.00 H new ATOM 1450 N GLU B 213 106.963 -10.807 -4.238 1.00 0.00 N ATOM 1451 CA GLU B 213 106.492 -9.440 -4.468 1.00 0.00 C ATOM 1452 C GLU B 213 105.648 -9.350 -5.742 1.00 0.00 C ATOM 1453 O GLU B 213 104.912 -8.381 -5.937 1.00 0.00 O ATOM 1454 CB GLU B 213 107.677 -8.483 -4.569 1.00 0.00 C ATOM 1455 CG GLU B 213 107.173 -7.029 -4.567 1.00 0.00 C ATOM 1456 CD GLU B 213 108.342 -6.031 -4.595 1.00 0.00 C ATOM 1457 OE1 GLU B 213 108.144 -4.872 -4.248 1.00 0.00 O ATOM 1458 OE2 GLU B 213 109.428 -6.443 -4.965 1.00 0.00 O ATOM 0 H GLU B 213 107.970 -10.930 -4.345 1.00 0.00 H new ATOM 0 HA GLU B 213 105.867 -9.157 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.358 -8.643 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.240 -8.681 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.530 -6.864 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.564 -6.854 -3.680 1.00 0.00 H new ATOM 1465 N SER B 214 105.752 -10.375 -6.593 1.00 0.00 N ATOM 1466 CA SER B 214 104.987 -10.420 -7.839 1.00 0.00 C ATOM 1467 C SER B 214 103.590 -11.020 -7.614 1.00 0.00 C ATOM 1468 O SER B 214 102.596 -10.495 -8.119 1.00 0.00 O ATOM 1469 CB SER B 214 105.737 -11.262 -8.869 1.00 0.00 C ATOM 1470 OG SER B 214 105.923 -12.574 -8.352 1.00 0.00 O ATOM 0 H SER B 214 106.357 -11.182 -6.441 1.00 0.00 H new ATOM 0 HA SER B 214 104.869 -9.399 -8.202 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.176 -11.302 -9.802 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.701 -10.807 -9.096 1.00 0.00 H new ATOM 0 HG SER B 214 106.403 -13.120 -9.010 1.00 0.00 H new ATOM 1476 N HIS B 215 103.529 -12.111 -6.842 1.00 0.00 N ATOM 1477 CA HIS B 215 102.267 -12.785 -6.544 1.00 0.00 C ATOM 1478 C HIS B 215 101.475 -12.057 -5.451 1.00 0.00 C ATOM 1479 O HIS B 215 100.335 -12.433 -5.165 1.00 0.00 O ATOM 1480 CB HIS B 215 102.545 -14.217 -6.087 1.00 0.00 C ATOM 1481 CG HIS B 215 102.763 -15.101 -7.282 1.00 0.00 C ATOM 1482 ND1 HIS B 215 103.979 -15.171 -7.940 1.00 0.00 N ATOM 1483 CD2 HIS B 215 101.920 -15.946 -7.953 1.00 0.00 C ATOM 1484 CE1 HIS B 215 103.834 -16.033 -8.964 1.00 0.00 C ATOM 1485 NE2 HIS B 215 102.597 -16.534 -9.016 1.00 0.00 N ATOM 0 H HIS B 215 104.346 -12.545 -6.412 1.00 0.00 H new ATOM 0 HA HIS B 215 101.670 -12.784 -7.456 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.424 -14.238 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.708 -14.589 -5.496 1.00 0.00 H new ATOM 0 HD2 HIS B 215 100.887 -16.128 -7.696 1.00 0.00 H new ATOM 0 HE1 HIS B 215 104.621 -16.288 -9.658 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.228 -17.204 -9.691 1.00 0.00 H new ATOM 1493 N ILE B 216 102.087 -11.040 -4.830 1.00 0.00 N ATOM 1494 CA ILE B 216 101.439 -10.296 -3.759 1.00 0.00 C ATOM 1495 C ILE B 216 100.197 -9.562 -4.270 1.00 0.00 C ATOM 1496 O ILE B 216 99.198 -9.469 -3.560 1.00 0.00 O ATOM 1497 CB ILE B 216 102.439 -9.303 -3.129 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.832 -8.705 -1.846 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.778 -8.172 -4.119 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.804 -9.759 -0.733 1.00 0.00 C ATOM 0 H ILE B 216 103.029 -10.719 -5.056 1.00 0.00 H new ATOM 0 HA ILE B 216 101.114 -11.003 -2.995 1.00 0.00 H new ATOM 0 HB ILE B 216 103.357 -9.838 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.417 -7.843 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.821 -8.349 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.484 -7.483 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.223 -8.597 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.867 -7.635 -4.384 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.373 -9.324 0.169 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.200 -10.608 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.820 -10.095 -0.524 1.00 0.00 H new ATOM 1512 N ASN B 217 100.286 -9.031 -5.491 1.00 0.00 N ATOM 1513 CA ASN B 217 99.173 -8.288 -6.078 1.00 0.00 C ATOM 1514 C ASN B 217 97.946 -9.183 -6.201 1.00 0.00 C ATOM 1515 O ASN B 217 96.849 -8.805 -5.782 1.00 0.00 O ATOM 1516 CB ASN B 217 99.573 -7.756 -7.457 1.00 0.00 C ATOM 1517 CG ASN B 217 100.660 -6.687 -7.319 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.615 -5.856 -6.410 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.642 -6.659 -8.179 1.00 0.00 N ATOM 0 H ASN B 217 101.111 -9.101 -6.087 1.00 0.00 H new ATOM 0 HA ASN B 217 98.929 -7.448 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.935 -8.575 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.702 -7.336 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.371 -5.950 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.680 -7.346 -8.932 1.00 0.00 H new ATOM 1526 N LYS B 218 98.146 -10.378 -6.755 1.00 0.00 N ATOM 1527 CA LYS B 218 97.053 -11.339 -6.905 1.00 0.00 C ATOM 1528 C LYS B 218 96.584 -11.805 -5.536 1.00 0.00 C ATOM 1529 O LYS B 218 95.379 -11.907 -5.290 1.00 0.00 O ATOM 1530 CB LYS B 218 97.510 -12.541 -7.731 1.00 0.00 C ATOM 1531 CG LYS B 218 96.311 -13.444 -8.036 1.00 0.00 C ATOM 1532 CD LYS B 218 96.753 -14.608 -8.927 1.00 0.00 C ATOM 1533 CE LYS B 218 95.550 -15.487 -9.246 1.00 0.00 C ATOM 1534 NZ LYS B 218 95.974 -16.587 -10.156 1.00 0.00 N ATOM 0 H LYS B 218 99.047 -10.703 -7.105 1.00 0.00 H new ATOM 0 HA LYS B 218 96.227 -10.851 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS B 218 97.968 -12.203 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.270 -13.101 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.886 -13.825 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.529 -12.870 -8.533 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.194 -14.228 -9.848 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.522 -15.194 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.132 -15.899 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS B 218 94.765 -14.893 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.156 -17.190 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.354 -16.183 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 96.709 -17.158 -9.692 1.00 0.00 H new ATOM 1548 N HIS B 219 97.546 -12.099 -4.659 1.00 0.00 N ATOM 1549 CA HIS B 219 97.224 -12.560 -3.315 1.00 0.00 C ATOM 1550 C HIS B 219 96.352 -11.534 -2.586 1.00 0.00 C ATOM 1551 O HIS B 219 95.394 -11.915 -1.913 1.00 0.00 O ATOM 1552 CB HIS B 219 98.502 -12.849 -2.499 1.00 0.00 C ATOM 1553 CG HIS B 219 98.112 -13.187 -1.079 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.494 -14.378 -0.734 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.174 -12.450 0.074 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.202 -14.314 0.580 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.600 -13.159 1.120 1.00 0.00 N ATOM 0 H HIS B 219 98.544 -12.026 -4.856 1.00 0.00 H new ATOM 0 HA HIS B 219 96.665 -13.491 -3.411 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.055 -13.676 -2.945 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.162 -11.981 -2.512 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.296 -15.159 -1.359 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.606 -11.463 0.157 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.707 -15.101 1.129 1.00 0.00 H new ATOM 1564 N LEU B 220 96.699 -10.254 -2.699 1.00 0.00 N ATOM 1565 CA LEU B 220 95.935 -9.211 -2.022 1.00 0.00 C ATOM 1566 C LEU B 220 94.502 -9.185 -2.540 1.00 0.00 C ATOM 1567 O LEU B 220 93.564 -8.987 -1.767 1.00 0.00 O ATOM 1568 CB LEU B 220 96.590 -7.841 -2.228 1.00 0.00 C ATOM 1569 CG LEU B 220 97.877 -7.748 -1.399 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.692 -6.546 -1.866 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.528 -7.575 0.088 1.00 0.00 C ATOM 0 H LEU B 220 97.492 -9.918 -3.245 1.00 0.00 H new ATOM 0 HA LEU B 220 95.923 -9.434 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.816 -7.691 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.900 -7.050 -1.934 1.00 0.00 H new ATOM 0 HG LEU B 220 98.456 -8.662 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.608 -6.477 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.945 -6.665 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU B 220 98.107 -5.636 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.446 -7.510 0.672 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.947 -6.662 0.222 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.943 -8.430 0.426 1.00 0.00 H new ATOM 1583 N ASP B 221 94.344 -9.399 -3.845 1.00 0.00 N ATOM 1584 CA ASP B 221 93.027 -9.415 -4.467 1.00 0.00 C ATOM 1585 C ASP B 221 92.156 -10.521 -3.863 1.00 0.00 C ATOM 1586 O ASP B 221 90.944 -10.356 -3.734 1.00 0.00 O ATOM 1587 CB ASP B 221 93.175 -9.648 -5.971 1.00 0.00 C ATOM 1588 CG ASP B 221 93.436 -8.326 -6.680 1.00 0.00 C ATOM 1589 OD1 ASP B 221 94.325 -8.291 -7.515 1.00 0.00 O ATOM 1590 OD2 ASP B 221 92.745 -7.367 -6.376 1.00 0.00 O ATOM 0 H ASP B 221 95.116 -9.564 -4.491 1.00 0.00 H new ATOM 0 HA ASP B 221 92.546 -8.454 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.995 -10.340 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.270 -10.110 -6.367 1.00 0.00 H new ATOM 1595 N SER B 222 92.787 -11.639 -3.490 1.00 0.00 N ATOM 1596 CA SER B 222 92.071 -12.773 -2.891 1.00 0.00 C ATOM 1597 C SER B 222 91.899 -12.585 -1.380 1.00 0.00 C ATOM 1598 O SER B 222 90.821 -12.824 -0.834 1.00 0.00 O ATOM 1599 CB SER B 222 92.843 -14.068 -3.152 1.00 0.00 C ATOM 1600 OG SER B 222 92.790 -14.374 -4.538 1.00 0.00 O ATOM 0 H SER B 222 93.791 -11.784 -3.592 1.00 0.00 H new ATOM 0 HA SER B 222 91.083 -12.827 -3.349 1.00 0.00 H new ATOM 0 HB2 SER B 222 93.879 -13.958 -2.831 1.00 0.00 H new ATOM 0 HB3 SER B 222 92.414 -14.884 -2.571 1.00 0.00 H new ATOM 0 HG SER B 222 93.285 -15.202 -4.709 1.00 0.00 H new ATOM 1606 N CYS B 223 92.978 -12.165 -0.719 1.00 0.00 N ATOM 1607 CA CYS B 223 92.977 -11.943 0.730 1.00 0.00 C ATOM 1608 C CYS B 223 91.948 -10.886 1.121 1.00 0.00 C ATOM 1609 O CYS B 223 91.242 -11.032 2.121 1.00 0.00 O ATOM 1610 CB CYS B 223 94.377 -11.484 1.163 1.00 0.00 C ATOM 1611 SG CYS B 223 94.727 -12.057 2.850 1.00 0.00 S ATOM 0 H CYS B 223 93.873 -11.970 -1.168 1.00 0.00 H new ATOM 0 HA CYS B 223 92.713 -12.875 1.230 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.126 -11.876 0.475 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.442 -10.397 1.119 1.00 0.00 H new ATOM 1616 N LEU B 224 91.876 -9.832 0.316 1.00 0.00 N ATOM 1617 CA LEU B 224 90.927 -8.747 0.548 1.00 0.00 C ATOM 1618 C LEU B 224 89.490 -9.255 0.421 1.00 0.00 C ATOM 1619 O LEU B 224 88.621 -8.867 1.207 1.00 0.00 O ATOM 1620 CB LEU B 224 91.182 -7.606 -0.441 1.00 0.00 C ATOM 1621 CG LEU B 224 92.507 -6.912 -0.085 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.980 -6.078 -1.274 1.00 0.00 C ATOM 1623 CD2 LEU B 224 92.305 -5.988 1.125 1.00 0.00 C ATOM 0 H LEU B 224 92.466 -9.705 -0.507 1.00 0.00 H new ATOM 0 HA LEU B 224 91.067 -8.370 1.561 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.223 -7.994 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.362 -6.889 -0.406 1.00 0.00 H new ATOM 0 HG LEU B 224 93.252 -7.670 0.157 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.919 -5.586 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.130 -6.727 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU B 224 92.228 -5.325 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU B 224 93.248 -5.500 1.371 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.557 -5.232 0.885 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.967 -6.575 1.979 1.00 0.00 H new ATOM 1635 N SER B 225 89.253 -10.118 -0.571 1.00 0.00 N ATOM 1636 CA SER B 225 87.917 -10.668 -0.803 1.00 0.00 C ATOM 1637 C SER B 225 87.454 -11.490 0.399 1.00 0.00 C ATOM 1638 O SER B 225 86.266 -11.494 0.733 1.00 0.00 O ATOM 1639 CB SER B 225 87.928 -11.560 -2.050 1.00 0.00 C ATOM 1640 OG SER B 225 88.078 -10.754 -3.212 1.00 0.00 O ATOM 0 H SER B 225 89.965 -10.449 -1.222 1.00 0.00 H new ATOM 0 HA SER B 225 87.227 -9.837 -0.950 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.744 -12.280 -1.987 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.002 -12.132 -2.109 1.00 0.00 H new ATOM 0 HG SER B 225 89.031 -10.615 -3.393 1.00 0.00 H new ATOM 1646 N ARG B 226 88.401 -12.175 1.048 1.00 0.00 N ATOM 1647 CA ARG B 226 88.080 -13.003 2.209 1.00 0.00 C ATOM 1648 C ARG B 226 87.363 -12.170 3.262 1.00 0.00 C ATOM 1649 O ARG B 226 86.321 -12.578 3.783 1.00 0.00 O ATOM 1650 CB ARG B 226 89.371 -13.580 2.810 1.00 0.00 C ATOM 1651 CG ARG B 226 89.950 -14.650 1.882 1.00 0.00 C ATOM 1652 CD ARG B 226 91.272 -15.174 2.444 1.00 0.00 C ATOM 1653 NE ARG B 226 91.823 -16.188 1.541 1.00 0.00 N ATOM 1654 CZ ARG B 226 92.807 -17.030 1.910 1.00 0.00 C ATOM 1655 NH1 ARG B 226 93.337 -16.989 3.114 1.00 0.00 N ATOM 1656 NH2 ARG B 226 93.243 -17.913 1.058 1.00 0.00 N ATOM 0 H ARG B 226 89.388 -12.171 0.790 1.00 0.00 H new ATOM 0 HA ARG B 226 87.430 -13.818 1.890 1.00 0.00 H new ATOM 0 HB2 ARG B 226 90.100 -12.783 2.959 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.165 -14.010 3.790 1.00 0.00 H new ATOM 0 HG2 ARG B 226 89.241 -15.471 1.774 1.00 0.00 H new ATOM 0 HG3 ARG B 226 90.109 -14.233 0.888 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.980 -14.353 2.561 1.00 0.00 H new ATOM 0 HD3 ARG B 226 91.114 -15.602 3.434 1.00 0.00 H new ATOM 0 HE ARG B 226 91.446 -16.259 0.596 1.00 0.00 H new ATOM 0 HH11 ARG B 226 93.003 -16.307 3.795 1.00 0.00 H new ATOM 0 HH12 ARG B 226 94.081 -17.639 3.366 1.00 0.00 H new ATOM 0 HH21 ARG B 226 92.840 -17.962 0.122 1.00 0.00 H new ATOM 0 HH22 ARG B 226 93.988 -18.556 1.326 1.00 0.00 H new ATOM 1670 N GLU B 227 87.929 -11.001 3.556 1.00 0.00 N ATOM 1671 CA GLU B 227 87.351 -10.090 4.537 1.00 0.00 C ATOM 1672 C GLU B 227 85.936 -9.691 4.133 1.00 0.00 C ATOM 1673 O GLU B 227 85.044 -9.619 4.981 1.00 0.00 O ATOM 1674 CB GLU B 227 88.220 -8.843 4.661 1.00 0.00 C ATOM 1675 CG GLU B 227 87.728 -7.994 5.845 1.00 0.00 C ATOM 1676 CD GLU B 227 88.610 -6.751 6.040 1.00 0.00 C ATOM 1677 OE1 GLU B 227 88.180 -5.818 6.712 1.00 0.00 O ATOM 1678 OE2 GLU B 227 89.704 -6.746 5.506 1.00 0.00 O ATOM 0 H GLU B 227 88.790 -10.663 3.126 1.00 0.00 H new ATOM 0 HA GLU B 227 87.308 -10.601 5.499 1.00 0.00 H new ATOM 0 HB2 GLU B 227 89.262 -9.126 4.810 1.00 0.00 H new ATOM 0 HB3 GLU B 227 88.176 -8.262 3.740 1.00 0.00 H new ATOM 0 HG2 GLU B 227 86.696 -7.688 5.673 1.00 0.00 H new ATOM 0 HG3 GLU B 227 87.735 -8.595 6.755 1.00 0.00 H new ATOM 1685 N GLU B 228 85.743 -9.447 2.837 1.00 0.00 N ATOM 1686 CA GLU B 228 84.427 -9.075 2.318 1.00 0.00 C ATOM 1687 C GLU B 228 83.459 -10.267 2.352 1.00 0.00 C ATOM 1688 O GLU B 228 82.241 -10.076 2.353 1.00 0.00 O ATOM 1689 CB GLU B 228 84.549 -8.566 0.885 1.00 0.00 C ATOM 1690 CG GLU B 228 85.279 -7.217 0.861 1.00 0.00 C ATOM 1691 CD GLU B 228 85.490 -6.747 -0.588 1.00 0.00 C ATOM 1692 OE1 GLU B 228 85.061 -7.436 -1.508 1.00 0.00 O ATOM 1693 OE2 GLU B 228 86.086 -5.699 -0.757 1.00 0.00 O ATOM 0 H GLU B 228 86.477 -9.500 2.131 1.00 0.00 H new ATOM 0 HA GLU B 228 84.031 -8.285 2.956 1.00 0.00 H new ATOM 0 HB2 GLU B 228 85.091 -9.292 0.279 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.558 -8.459 0.444 1.00 0.00 H new ATOM 0 HG2 GLU B 228 84.701 -6.474 1.411 1.00 0.00 H new ATOM 0 HG3 GLU B 228 86.242 -7.308 1.364 1.00 0.00 H new ATOM 1700 N LYS B 229 84.009 -11.490 2.402 1.00 0.00 N ATOM 1701 CA LYS B 229 83.193 -12.702 2.464 1.00 0.00 C ATOM 1702 C LYS B 229 82.708 -12.960 3.892 1.00 0.00 C ATOM 1703 O LYS B 229 81.546 -13.315 4.104 1.00 0.00 O ATOM 1704 CB LYS B 229 84.002 -13.902 1.980 1.00 0.00 C ATOM 1705 CG LYS B 229 84.139 -13.843 0.460 1.00 0.00 C ATOM 1706 CD LYS B 229 85.013 -15.002 -0.023 1.00 0.00 C ATOM 1707 CE LYS B 229 85.155 -14.925 -1.542 1.00 0.00 C ATOM 1708 NZ LYS B 229 85.982 -16.067 -2.020 1.00 0.00 N ATOM 0 H LYS B 229 85.015 -11.661 2.400 1.00 0.00 H new ATOM 0 HA LYS B 229 82.326 -12.560 1.819 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.988 -13.901 2.445 1.00 0.00 H new ATOM 0 HB3 LYS B 229 83.511 -14.829 2.276 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.155 -13.898 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.581 -12.892 0.161 1.00 0.00 H new ATOM 0 HD2 LYS B 229 85.994 -14.954 0.449 1.00 0.00 H new ATOM 0 HD3 LYS B 229 84.567 -15.954 0.265 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.172 -14.952 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS B 229 85.619 -13.981 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 86.080 -16.016 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 86.924 -16.022 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 85.521 -16.962 -1.760 1.00 0.00 H new ATOM 1722 N LYS B 230 83.606 -12.769 4.868 1.00 0.00 N ATOM 1723 CA LYS B 230 83.263 -12.981 6.274 1.00 0.00 C ATOM 1724 C LYS B 230 82.129 -12.044 6.721 1.00 0.00 C ATOM 1725 O LYS B 230 81.204 -12.480 7.408 1.00 0.00 O ATOM 1726 CB LYS B 230 84.491 -12.750 7.155 1.00 0.00 C ATOM 1727 CG LYS B 230 85.515 -13.854 6.899 1.00 0.00 C ATOM 1728 CD LYS B 230 86.734 -13.638 7.796 1.00 0.00 C ATOM 1729 CE LYS B 230 87.750 -14.754 7.552 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.936 -14.543 8.430 1.00 0.00 N ATOM 0 H LYS B 230 84.568 -12.470 4.708 1.00 0.00 H new ATOM 0 HA LYS B 230 82.922 -14.011 6.381 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.929 -11.776 6.939 1.00 0.00 H new ATOM 0 HB3 LYS B 230 84.202 -12.744 8.206 1.00 0.00 H new ATOM 0 HG2 LYS B 230 85.071 -14.829 7.099 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.816 -13.850 5.851 1.00 0.00 H new ATOM 0 HD2 LYS B 230 87.186 -12.668 7.587 1.00 0.00 H new ATOM 0 HD3 LYS B 230 86.431 -13.629 8.843 1.00 0.00 H new ATOM 0 HE2 LYS B 230 87.298 -15.724 7.759 1.00 0.00 H new ATOM 0 HE3 LYS B 230 88.055 -14.761 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 89.629 -15.301 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 89.370 -13.624 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 88.637 -14.557 9.426 1.00 0.00 H new ATOM 1744 N GLU B 231 82.210 -10.767 6.324 1.00 0.00 N ATOM 1745 CA GLU B 231 81.206 -9.781 6.685 1.00 0.00 C ATOM 1746 C GLU B 231 79.821 -10.230 6.231 1.00 0.00 C ATOM 1747 O GLU B 231 78.924 -10.434 7.053 1.00 0.00 O ATOM 1748 CB GLU B 231 81.549 -8.433 6.038 1.00 0.00 C ATOM 1749 CG GLU B 231 80.593 -7.353 6.555 1.00 0.00 C ATOM 1750 CD GLU B 231 80.884 -7.045 8.025 1.00 0.00 C ATOM 1751 OE1 GLU B 231 81.885 -7.531 8.528 1.00 0.00 O ATOM 1752 OE2 GLU B 231 80.107 -6.320 8.621 1.00 0.00 O ATOM 0 H GLU B 231 82.969 -10.400 5.750 1.00 0.00 H new ATOM 0 HA GLU B 231 81.199 -9.675 7.770 1.00 0.00 H new ATOM 0 HB2 GLU B 231 82.579 -8.160 6.267 1.00 0.00 H new ATOM 0 HB3 GLU B 231 81.474 -8.510 4.953 1.00 0.00 H new ATOM 0 HG2 GLU B 231 80.700 -6.447 5.959 1.00 0.00 H new ATOM 0 HG3 GLU B 231 79.562 -7.687 6.444 1.00 0.00 H new ATOM 1759 N SER B 232 79.656 -10.358 4.914 1.00 0.00 N ATOM 1760 CA SER B 232 78.369 -10.772 4.337 1.00 0.00 C ATOM 1761 C SER B 232 78.182 -12.285 4.459 1.00 0.00 C ATOM 1762 O SER B 232 79.108 -13.006 4.849 1.00 0.00 O ATOM 1763 CB SER B 232 78.307 -10.358 2.862 1.00 0.00 C ATOM 1764 OG SER B 232 79.283 -11.085 2.131 1.00 0.00 O ATOM 0 H SER B 232 80.390 -10.183 4.228 1.00 0.00 H new ATOM 0 HA SER B 232 77.567 -10.280 4.888 1.00 0.00 H new ATOM 0 HB2 SER B 232 77.313 -10.553 2.459 1.00 0.00 H new ATOM 0 HB3 SER B 232 78.486 -9.287 2.765 1.00 0.00 H new ATOM 0 HG SER B 232 80.163 -10.673 2.260 1.00 0.00 H new ATOM 1770 N LEU B 233 76.975 -12.757 4.128 1.00 0.00 N ATOM 1771 CA LEU B 233 76.663 -14.174 4.200 1.00 0.00 C ATOM 1772 C LEU B 233 75.701 -14.541 3.083 1.00 0.00 C ATOM 1773 O LEU B 233 74.677 -13.879 2.898 1.00 0.00 O ATOM 1774 CB LEU B 233 76.028 -14.499 5.553 1.00 0.00 C ATOM 1775 CG LEU B 233 76.008 -16.025 5.773 1.00 0.00 C ATOM 1776 CD1 LEU B 233 76.066 -16.329 7.273 1.00 0.00 C ATOM 1777 CD2 LEU B 233 74.720 -16.623 5.185 1.00 0.00 C ATOM 0 H LEU B 233 76.203 -12.172 3.808 1.00 0.00 H new ATOM 0 HA LEU B 233 77.582 -14.749 4.090 1.00 0.00 H new ATOM 0 HB2 LEU B 233 76.589 -14.015 6.353 1.00 0.00 H new ATOM 0 HB3 LEU B 233 75.013 -14.104 5.592 1.00 0.00 H new ATOM 0 HG LEU B 233 76.871 -16.466 5.275 1.00 0.00 H new ATOM 0 HD11 LEU B 233 76.052 -17.408 7.426 1.00 0.00 H new ATOM 0 HD12 LEU B 233 76.983 -15.915 7.693 1.00 0.00 H new ATOM 0 HD13 LEU B 233 75.205 -15.881 7.769 1.00 0.00 H new ATOM 0 HD21 LEU B 233 74.714 -17.701 5.345 1.00 0.00 H new ATOM 0 HD22 LEU B 233 73.855 -16.178 5.677 1.00 0.00 H new ATOM 0 HD23 LEU B 233 74.677 -16.414 4.116 1.00 0.00 H new ATOM 1789 N ARG B 234 76.043 -15.584 2.335 1.00 0.00 N ATOM 1790 CA ARG B 234 75.208 -16.034 1.223 1.00 0.00 C ATOM 1791 C ARG B 234 74.563 -17.374 1.538 1.00 0.00 C ATOM 1792 O ARG B 234 75.238 -18.310 1.972 1.00 0.00 O ATOM 1793 CB ARG B 234 76.057 -16.160 -0.047 1.00 0.00 C ATOM 1794 CG ARG B 234 76.586 -14.780 -0.455 1.00 0.00 C ATOM 1795 CD ARG B 234 75.455 -13.955 -1.078 1.00 0.00 C ATOM 1796 NE ARG B 234 75.944 -12.624 -1.450 1.00 0.00 N ATOM 1797 CZ ARG B 234 75.879 -11.566 -0.619 1.00 0.00 C ATOM 1798 NH1 ARG B 234 75.371 -11.666 0.590 1.00 0.00 N ATOM 1799 NH2 ARG B 234 76.336 -10.413 -1.021 1.00 0.00 N ATOM 0 H ARG B 234 76.890 -16.134 2.476 1.00 0.00 H new ATOM 0 HA ARG B 234 74.420 -15.297 1.066 1.00 0.00 H new ATOM 0 HB2 ARG B 234 76.889 -16.842 0.127 1.00 0.00 H new ATOM 0 HB3 ARG B 234 75.460 -16.584 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG B 234 76.989 -14.263 0.416 1.00 0.00 H new ATOM 0 HG3 ARG B 234 77.404 -14.890 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG B 234 75.065 -14.466 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG B 234 74.630 -13.863 -0.371 1.00 0.00 H new ATOM 0 HE ARG B 234 76.350 -12.494 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG B 234 75.013 -12.562 0.920 1.00 0.00 H new ATOM 0 HH12 ARG B 234 75.335 -10.847 1.197 1.00 0.00 H new ATOM 0 HH21 ARG B 234 76.736 -10.321 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG B 234 76.293 -9.603 -0.402 1.00 0.00 H new ATOM 1813 N SER B 235 73.253 -17.449 1.314 1.00 0.00 N ATOM 1814 CA SER B 235 72.503 -18.672 1.570 1.00 0.00 C ATOM 1815 C SER B 235 72.907 -19.751 0.577 1.00 0.00 C ATOM 1816 O SER B 235 72.993 -20.929 0.933 1.00 0.00 O ATOM 1817 CB SER B 235 71.001 -18.402 1.455 1.00 0.00 C ATOM 1818 OG SER B 235 70.711 -17.906 0.154 1.00 0.00 O ATOM 0 H SER B 235 72.691 -16.677 0.956 1.00 0.00 H new ATOM 0 HA SER B 235 72.728 -19.014 2.580 1.00 0.00 H new ATOM 0 HB2 SER B 235 70.440 -19.318 1.641 1.00 0.00 H new ATOM 0 HB3 SER B 235 70.691 -17.679 2.210 1.00 0.00 H new ATOM 0 HG SER B 235 69.749 -17.734 0.076 1.00 0.00 H new ATOM 1824 N SER B 236 73.159 -19.338 -0.667 1.00 0.00 N ATOM 1825 CA SER B 236 73.551 -20.275 -1.714 1.00 0.00 C ATOM 1826 C SER B 236 74.679 -19.686 -2.550 1.00 0.00 C ATOM 1827 O SER B 236 74.781 -18.465 -2.697 1.00 0.00 O ATOM 1828 CB SER B 236 72.355 -20.588 -2.610 1.00 0.00 C ATOM 1829 OG SER B 236 72.734 -21.561 -3.575 1.00 0.00 O ATOM 0 H SER B 236 73.098 -18.366 -0.970 1.00 0.00 H new ATOM 0 HA SER B 236 73.899 -21.196 -1.247 1.00 0.00 H new ATOM 0 HB2 SER B 236 71.524 -20.958 -2.010 1.00 0.00 H new ATOM 0 HB3 SER B 236 72.011 -19.681 -3.107 1.00 0.00 H new ATOM 0 HG SER B 236 71.968 -21.766 -4.151 1.00 0.00 H new ATOM 1835 N VAL B 237 75.523 -20.565 -3.087 1.00 0.00 N ATOM 1836 CA VAL B 237 76.653 -20.138 -3.912 1.00 0.00 C ATOM 1837 C VAL B 237 76.142 -19.550 -5.228 1.00 0.00 C ATOM 1838 O VAL B 237 75.253 -20.116 -5.868 1.00 0.00 O ATOM 1839 CB VAL B 237 77.589 -21.332 -4.198 1.00 0.00 C ATOM 1840 CG1 VAL B 237 78.805 -20.871 -5.017 1.00 0.00 C ATOM 1841 CG2 VAL B 237 78.081 -21.946 -2.879 1.00 0.00 C ATOM 0 H VAL B 237 75.447 -21.575 -2.966 1.00 0.00 H new ATOM 0 HA VAL B 237 77.214 -19.375 -3.372 1.00 0.00 H new ATOM 0 HB VAL B 237 77.030 -22.077 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL B 237 79.457 -21.723 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL B 237 78.467 -20.449 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL B 237 79.355 -20.114 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL B 237 78.740 -22.787 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL B 237 78.626 -21.194 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL B 237 77.226 -22.293 -2.298 1.00 0.00 H new ATOM 1851 N HIS B 238 76.727 -18.421 -5.621 1.00 0.00 N ATOM 1852 CA HIS B 238 76.352 -17.752 -6.866 1.00 0.00 C ATOM 1853 C HIS B 238 77.513 -17.788 -7.862 1.00 0.00 C ATOM 1854 O HIS B 238 78.680 -17.825 -7.461 1.00 0.00 O ATOM 1855 CB HIS B 238 75.958 -16.299 -6.583 1.00 0.00 C ATOM 1856 CG HIS B 238 74.696 -16.267 -5.763 1.00 0.00 C ATOM 1857 ND1 HIS B 238 73.483 -16.728 -6.254 1.00 0.00 N ATOM 1858 CD2 HIS B 238 74.443 -15.841 -4.482 1.00 0.00 C ATOM 1859 CE1 HIS B 238 72.567 -16.571 -5.282 1.00 0.00 C ATOM 1860 NE2 HIS B 238 73.098 -16.035 -4.181 1.00 0.00 N ATOM 0 H HIS B 238 77.463 -17.949 -5.096 1.00 0.00 H new ATOM 0 HA HIS B 238 75.501 -18.277 -7.299 1.00 0.00 H new ATOM 0 HB2 HIS B 238 76.762 -15.791 -6.051 1.00 0.00 H new ATOM 0 HB3 HIS B 238 75.808 -15.763 -7.520 1.00 0.00 H new ATOM 0 HD2 HIS B 238 75.176 -15.420 -3.810 1.00 0.00 H new ATOM 0 HE1 HIS B 238 71.527 -16.846 -5.380 1.00 0.00 H new ATOM 0 HE2 HIS B 238 72.621 -15.815 -3.307 1.00 0.00 H new ATOM 1868 N LYS B 239 77.179 -17.776 -9.155 1.00 0.00 N ATOM 1869 CA LYS B 239 78.193 -17.813 -10.210 1.00 0.00 C ATOM 1870 C LYS B 239 79.085 -16.576 -10.144 1.00 0.00 C ATOM 1871 O LYS B 239 80.305 -16.670 -10.312 1.00 0.00 O ATOM 1872 CB LYS B 239 77.514 -17.881 -11.581 1.00 0.00 C ATOM 1873 CG LYS B 239 76.847 -19.247 -11.753 1.00 0.00 C ATOM 1874 CD LYS B 239 76.170 -19.317 -13.123 1.00 0.00 C ATOM 1875 CE LYS B 239 75.515 -20.687 -13.299 1.00 0.00 C ATOM 1876 NZ LYS B 239 74.832 -20.746 -14.621 1.00 0.00 N ATOM 0 H LYS B 239 76.218 -17.741 -9.495 1.00 0.00 H new ATOM 0 HA LYS B 239 78.811 -18.699 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS B 239 76.771 -17.088 -11.671 1.00 0.00 H new ATOM 0 HB3 LYS B 239 78.248 -17.721 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS B 239 77.589 -20.040 -11.662 1.00 0.00 H new ATOM 0 HG3 LYS B 239 76.112 -19.406 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS B 239 75.421 -18.530 -13.211 1.00 0.00 H new ATOM 0 HD3 LYS B 239 76.903 -19.149 -13.912 1.00 0.00 H new ATOM 0 HE2 LYS B 239 76.267 -21.473 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS B 239 74.797 -20.864 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 74.387 -21.678 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 74.103 -20.005 -14.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 75.528 -20.596 -15.379 1.00 0.00 H new ATOM 1890 N ARG B 240 78.463 -15.419 -9.899 1.00 0.00 N ATOM 1891 CA ARG B 240 79.196 -14.156 -9.820 1.00 0.00 C ATOM 1892 C ARG B 240 80.032 -14.107 -8.538 1.00 0.00 C ATOM 1893 O ARG B 240 80.954 -13.308 -8.482 1.00 0.00 O ATOM 1894 CB ARG B 240 78.207 -12.981 -9.850 1.00 0.00 C ATOM 1895 CG ARG B 240 77.501 -12.917 -11.209 1.00 0.00 C ATOM 1896 CD ARG B 240 76.476 -11.783 -11.189 1.00 0.00 C ATOM 1897 NE ARG B 240 77.156 -10.484 -11.079 1.00 0.00 N ATOM 1898 CZ ARG B 240 76.497 -9.343 -10.813 1.00 0.00 C ATOM 1899 NH1 ARG B 240 75.195 -9.323 -10.636 1.00 0.00 N ATOM 1900 NH2 ARG B 240 77.169 -8.226 -10.726 1.00 0.00 N ATOM 1901 OXT ARG B 240 79.741 -14.877 -7.637 1.00 0.00 O ATOM 0 H ARG B 240 77.457 -15.333 -9.753 1.00 0.00 H new ATOM 0 HA ARG B 240 79.867 -14.081 -10.676 1.00 0.00 H new ATOM 0 HB2 ARG B 240 77.471 -13.096 -9.055 1.00 0.00 H new ATOM 0 HB3 ARG B 240 78.736 -12.046 -9.662 1.00 0.00 H new ATOM 0 HG2 ARG B 240 78.229 -12.751 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG B 240 77.008 -13.866 -11.421 1.00 0.00 H new ATOM 0 HD2 ARG B 240 75.875 -11.811 -12.098 1.00 0.00 H new ATOM 0 HD3 ARG B 240 75.793 -11.916 -10.350 1.00 0.00 H new ATOM 0 HE ARG B 240 78.167 -10.447 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG B 240 74.658 -10.188 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG B 240 74.721 -8.442 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG B 240 78.180 -8.227 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG B 240 76.682 -7.352 -10.525 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 97.040 -12.385 2.864 1.00 0.00 ZN