USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 GLN : amide:sc= -0.705 K(o=-0.54,f=-5.9!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 167:sc= 0.169 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 19 TYR OH : rot 66:sc= 0.513 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -88:sc= 0.944! USER MOD Single : A 48 GLN : amide:sc= -3.95 X(o=-4,f=-3.8!) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.13 (180deg=0.0509) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.512 K(o=-0.51,f=-4.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.44! C(o=-5.4!,f=-7.6!) USER MOD Single : A 75 THR OG1 : rot 131:sc= -0.278! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -155:sc= -10.4! (180deg=-12.2!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 8.623 9.590 -3.060 1.00 0.00 N ATOM 67 CA LEU A 8 8.027 9.248 -1.780 1.00 0.00 C ATOM 68 C LEU A 8 8.060 7.729 -1.597 1.00 0.00 C ATOM 69 O LEU A 8 7.293 7.007 -2.232 1.00 0.00 O ATOM 70 CB LEU A 8 6.626 9.851 -1.663 1.00 0.00 C ATOM 71 CG LEU A 8 6.349 10.664 -0.397 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.923 11.217 -0.401 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.641 9.840 0.859 1.00 0.00 C ATOM 0 HA LEU A 8 8.604 9.681 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.455 10.492 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.898 9.042 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 8 7.025 11.519 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.753 11.791 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.786 11.863 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.213 10.392 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.436 10.441 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.007 8.953 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.688 9.538 0.860 1.00 0.00 H new ATOM 85 N PRO A 9 8.981 7.278 -0.703 1.00 0.00 N ATOM 86 CA PRO A 9 9.124 5.858 -0.429 1.00 0.00 C ATOM 87 C PRO A 9 7.976 5.350 0.445 1.00 0.00 C ATOM 88 O PRO A 9 7.599 6.000 1.420 1.00 0.00 O ATOM 89 CB PRO A 9 10.483 5.722 0.238 1.00 0.00 C ATOM 90 CG PRO A 9 10.847 7.113 0.731 1.00 0.00 C ATOM 91 CD PRO A 9 9.906 8.104 0.066 1.00 0.00 C ATOM 0 HA PRO A 9 9.074 5.248 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.443 5.013 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.228 5.350 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.756 7.169 1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.883 7.346 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.378 8.706 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.450 8.795 -0.578 1.00 0.00 H new ATOM 99 N ILE A 10 7.452 4.194 0.065 1.00 0.00 N ATOM 100 CA ILE A 10 6.354 3.592 0.802 1.00 0.00 C ATOM 101 C ILE A 10 6.674 2.120 1.072 1.00 0.00 C ATOM 102 O ILE A 10 6.725 1.312 0.146 1.00 0.00 O ATOM 103 CB ILE A 10 5.031 3.809 0.065 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.628 5.285 0.086 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.933 2.907 0.633 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.537 5.569 -0.948 1.00 0.00 C ATOM 0 H ILE A 10 7.767 3.658 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 10 6.235 4.076 1.771 1.00 0.00 H new ATOM 0 HB ILE A 10 5.171 3.528 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.271 5.554 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.499 5.907 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.003 3.081 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.227 1.863 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.786 3.134 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.268 6.625 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.906 5.321 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.658 4.963 -0.726 1.00 0.00 H new ATOM 118 N ILE A 11 6.880 1.816 2.345 1.00 0.00 N ATOM 119 CA ILE A 11 7.193 0.455 2.748 1.00 0.00 C ATOM 120 C ILE A 11 5.894 -0.297 3.041 1.00 0.00 C ATOM 121 O ILE A 11 5.012 0.222 3.724 1.00 0.00 O ATOM 122 CB ILE A 11 8.180 0.457 3.917 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.479 1.172 3.538 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.435 -0.965 4.421 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.382 1.353 4.760 1.00 0.00 C ATOM 0 H ILE A 11 6.836 2.488 3.111 1.00 0.00 H new ATOM 0 HA ILE A 11 7.693 -0.077 1.939 1.00 0.00 H new ATOM 0 HB ILE A 11 7.734 1.016 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.005 0.598 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.249 2.145 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.140 -0.936 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.496 -1.406 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.851 -1.568 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.298 1.864 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.862 1.948 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.630 0.377 5.177 1.00 0.00 H new ATOM 137 N VAL A 12 5.816 -1.508 2.510 1.00 0.00 N ATOM 138 CA VAL A 12 4.639 -2.337 2.706 1.00 0.00 C ATOM 139 C VAL A 12 5.032 -3.598 3.479 1.00 0.00 C ATOM 140 O VAL A 12 5.695 -4.481 2.937 1.00 0.00 O ATOM 141 CB VAL A 12 3.984 -2.642 1.358 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.617 -3.303 1.550 1.00 0.00 C ATOM 143 CG2 VAL A 12 3.866 -1.376 0.506 1.00 0.00 C ATOM 0 H VAL A 12 6.549 -1.935 1.944 1.00 0.00 H new ATOM 0 HA VAL A 12 3.894 -1.809 3.302 1.00 0.00 H new ATOM 0 HB VAL A 12 4.625 -3.345 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.173 -3.509 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.738 -4.237 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.965 -2.634 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.397 -1.621 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.258 -0.640 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.859 -0.964 0.326 1.00 0.00 H new ATOM 153 N LYS A 13 4.605 -3.642 4.732 1.00 0.00 N ATOM 154 CA LYS A 13 4.903 -4.780 5.585 1.00 0.00 C ATOM 155 C LYS A 13 3.840 -5.861 5.376 1.00 0.00 C ATOM 156 O LYS A 13 2.665 -5.646 5.671 1.00 0.00 O ATOM 157 CB LYS A 13 5.050 -4.335 7.041 1.00 0.00 C ATOM 158 CG LYS A 13 5.057 -5.539 7.985 1.00 0.00 C ATOM 159 CD LYS A 13 6.342 -5.580 8.813 1.00 0.00 C ATOM 160 CE LYS A 13 6.187 -6.504 10.023 1.00 0.00 C ATOM 161 NZ LYS A 13 7.444 -7.241 10.277 1.00 0.00 N ATOM 0 H LYS A 13 4.055 -2.908 5.177 1.00 0.00 H new ATOM 0 HA LYS A 13 5.863 -5.219 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.974 -3.769 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.231 -3.666 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.194 -5.490 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.963 -6.459 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.168 -5.925 8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.594 -4.574 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.918 -5.919 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.374 -7.209 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.321 -7.863 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.685 -7.814 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.211 -6.564 10.465 1.00 0.00 H new ATOM 175 N TRP A 14 4.291 -6.999 4.870 1.00 0.00 N ATOM 176 CA TRP A 14 3.393 -8.114 4.619 1.00 0.00 C ATOM 177 C TRP A 14 3.876 -9.306 5.448 1.00 0.00 C ATOM 178 O TRP A 14 4.835 -9.979 5.073 1.00 0.00 O ATOM 179 CB TRP A 14 3.307 -8.422 3.123 1.00 0.00 C ATOM 180 CG TRP A 14 2.261 -9.480 2.765 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.178 -9.840 3.466 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.244 -10.305 1.581 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.466 -10.833 2.824 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.135 -11.125 1.641 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.135 -10.358 0.495 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.815 -12.056 0.646 1.00 0.00 C ATOM 187 CZ3 TRP A 14 2.802 -11.293 -0.491 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.689 -12.126 -0.445 1.00 0.00 C ATOM 0 H TRP A 14 5.266 -7.173 4.627 1.00 0.00 H new ATOM 0 HA TRP A 14 2.376 -7.867 4.924 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.077 -7.502 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.284 -8.759 2.775 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.897 -9.407 4.415 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.393 -11.272 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.008 -9.726 0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.059 -12.686 0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.455 -11.374 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.500 -12.824 -1.247 1.00 0.00 H new ATOM 199 N GLY A 15 3.189 -9.530 6.559 1.00 0.00 N ATOM 200 CA GLY A 15 3.536 -10.629 7.444 1.00 0.00 C ATOM 201 C GLY A 15 4.974 -10.494 7.948 1.00 0.00 C ATOM 202 O GLY A 15 5.236 -9.762 8.901 1.00 0.00 O ATOM 0 H GLY A 15 2.394 -8.969 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.850 -10.649 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.419 -11.576 6.917 1.00 0.00 H new ATOM 206 N GLY A 16 5.870 -11.213 7.286 1.00 0.00 N ATOM 207 CA GLY A 16 7.275 -11.182 7.656 1.00 0.00 C ATOM 208 C GLY A 16 8.125 -10.594 6.528 1.00 0.00 C ATOM 209 O GLY A 16 9.315 -10.341 6.711 1.00 0.00 O ATOM 0 H GLY A 16 5.650 -11.820 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.404 -10.588 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.617 -12.191 7.886 1.00 0.00 H new ATOM 213 N GLN A 17 7.482 -10.394 5.387 1.00 0.00 N ATOM 214 CA GLN A 17 8.165 -9.841 4.230 1.00 0.00 C ATOM 215 C GLN A 17 7.684 -8.413 3.963 1.00 0.00 C ATOM 216 O GLN A 17 6.486 -8.174 3.818 1.00 0.00 O ATOM 217 CB GLN A 17 7.963 -10.726 2.999 1.00 0.00 C ATOM 218 CG GLN A 17 8.607 -12.099 3.200 1.00 0.00 C ATOM 219 CD GLN A 17 7.610 -13.221 2.905 1.00 0.00 C ATOM 220 OE1 GLN A 17 7.089 -13.352 1.810 1.00 0.00 O ATOM 221 NE2 GLN A 17 7.374 -14.021 3.941 1.00 0.00 N ATOM 0 H GLN A 17 6.495 -10.605 5.239 1.00 0.00 H new ATOM 0 HA GLN A 17 9.233 -9.811 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.897 -10.845 2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.396 -10.242 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.474 -12.197 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.968 -12.189 4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.844 -13.855 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.723 -14.800 3.846 1.00 0.00 H new ATOM 230 N GLU A 18 8.643 -7.501 3.906 1.00 0.00 N ATOM 231 CA GLU A 18 8.333 -6.103 3.659 1.00 0.00 C ATOM 232 C GLU A 18 8.812 -5.691 2.265 1.00 0.00 C ATOM 233 O GLU A 18 9.812 -6.209 1.771 1.00 0.00 O ATOM 234 CB GLU A 18 8.946 -5.206 4.737 1.00 0.00 C ATOM 235 CG GLU A 18 8.418 -5.576 6.124 1.00 0.00 C ATOM 236 CD GLU A 18 9.487 -5.355 7.195 1.00 0.00 C ATOM 237 OE1 GLU A 18 9.653 -4.183 7.598 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.115 -6.362 7.587 1.00 0.00 O ATOM 0 H GLU A 18 9.636 -7.703 4.027 1.00 0.00 H new ATOM 0 HA GLU A 18 7.251 -5.978 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.032 -5.301 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.714 -4.163 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.538 -4.975 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.102 -6.619 6.130 1.00 0.00 H new ATOM 245 N TYR A 19 8.076 -4.763 1.672 1.00 0.00 N ATOM 246 CA TYR A 19 8.413 -4.276 0.345 1.00 0.00 C ATOM 247 C TYR A 19 8.688 -2.771 0.367 1.00 0.00 C ATOM 248 O TYR A 19 8.145 -2.049 1.203 1.00 0.00 O ATOM 249 CB TYR A 19 7.186 -4.546 -0.528 1.00 0.00 C ATOM 250 CG TYR A 19 6.844 -6.029 -0.679 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.337 -6.734 0.394 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.043 -6.663 -1.889 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.015 -8.130 0.251 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.721 -8.059 -2.032 1.00 0.00 C ATOM 255 CZ TYR A 19 6.223 -8.724 -0.955 1.00 0.00 C ATOM 256 OH TYR A 19 5.919 -10.043 -1.090 1.00 0.00 O ATOM 0 H TYR A 19 7.248 -4.335 2.086 1.00 0.00 H new ATOM 0 HA TYR A 19 9.309 -4.771 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.328 -4.027 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.356 -4.120 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.182 -6.238 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.440 -6.112 -2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.617 -8.693 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.871 -8.567 -2.973 1.00 0.00 H new ATOM 0 HH TYR A 19 4.952 -10.167 -0.995 1.00 0.00 H new ATOM 266 N SER A 20 9.530 -2.342 -0.562 1.00 0.00 N ATOM 267 CA SER A 20 9.883 -0.936 -0.659 1.00 0.00 C ATOM 268 C SER A 20 9.336 -0.348 -1.962 1.00 0.00 C ATOM 269 O SER A 20 9.721 -0.775 -3.049 1.00 0.00 O ATOM 270 CB SER A 20 11.399 -0.742 -0.585 1.00 0.00 C ATOM 271 OG SER A 20 11.945 -1.267 0.622 1.00 0.00 O ATOM 0 H SER A 20 9.978 -2.943 -1.254 1.00 0.00 H new ATOM 0 HA SER A 20 9.435 -0.412 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.869 -1.230 -1.438 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.633 0.320 -0.657 1.00 0.00 H new ATOM 0 HG SER A 20 12.915 -1.126 0.631 1.00 0.00 H new ATOM 277 N VAL A 21 8.446 0.622 -1.808 1.00 0.00 N ATOM 278 CA VAL A 21 7.843 1.272 -2.959 1.00 0.00 C ATOM 279 C VAL A 21 8.533 2.616 -3.200 1.00 0.00 C ATOM 280 O VAL A 21 8.525 3.487 -2.331 1.00 0.00 O ATOM 281 CB VAL A 21 6.332 1.405 -2.753 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.672 2.084 -3.954 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.695 0.042 -2.475 1.00 0.00 C ATOM 0 H VAL A 21 8.128 0.973 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 21 7.984 0.668 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 21 6.167 2.036 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.599 2.166 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.095 3.080 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.851 1.491 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.621 0.164 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.875 -0.623 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.134 -0.388 -1.575 1.00 0.00 H new ATOM 293 N THR A 22 9.113 2.743 -4.384 1.00 0.00 N ATOM 294 CA THR A 22 9.807 3.966 -4.751 1.00 0.00 C ATOM 295 C THR A 22 9.775 4.164 -6.268 1.00 0.00 C ATOM 296 O THR A 22 10.739 4.653 -6.854 1.00 0.00 O ATOM 297 CB THR A 22 11.223 3.897 -4.177 1.00 0.00 C ATOM 298 OG1 THR A 22 11.730 2.653 -4.654 1.00 0.00 O ATOM 299 CG2 THR A 22 11.232 3.743 -2.655 1.00 0.00 C ATOM 0 H THR A 22 9.117 2.019 -5.102 1.00 0.00 H new ATOM 0 HA THR A 22 9.313 4.842 -4.331 1.00 0.00 H new ATOM 0 HB THR A 22 11.771 4.798 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.646 2.527 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.262 3.699 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.727 4.595 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.714 2.825 -2.379 1.00 0.00 H new ATOM 307 N THR A 23 8.656 3.773 -6.859 1.00 0.00 N ATOM 308 CA THR A 23 8.485 3.901 -8.297 1.00 0.00 C ATOM 309 C THR A 23 7.482 5.010 -8.618 1.00 0.00 C ATOM 310 O THR A 23 7.738 5.855 -9.474 1.00 0.00 O ATOM 311 CB THR A 23 8.076 2.533 -8.848 1.00 0.00 C ATOM 312 OG1 THR A 23 9.255 1.742 -8.725 1.00 0.00 O ATOM 313 CG2 THR A 23 7.804 2.566 -10.353 1.00 0.00 C ATOM 0 H THR A 23 7.859 3.367 -6.369 1.00 0.00 H new ATOM 0 HA THR A 23 9.415 4.198 -8.781 1.00 0.00 H new ATOM 0 HB THR A 23 7.186 2.183 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.078 0.837 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.518 1.571 -10.693 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.996 3.267 -10.561 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.704 2.884 -10.879 1.00 0.00 H new ATOM 321 N LEU A 24 6.360 4.972 -7.914 1.00 0.00 N ATOM 322 CA LEU A 24 5.317 5.963 -8.114 1.00 0.00 C ATOM 323 C LEU A 24 5.596 7.177 -7.225 1.00 0.00 C ATOM 324 O LEU A 24 6.369 7.088 -6.272 1.00 0.00 O ATOM 325 CB LEU A 24 3.937 5.341 -7.891 1.00 0.00 C ATOM 326 CG LEU A 24 3.841 4.305 -6.770 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.486 4.383 -6.063 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.132 2.898 -7.298 1.00 0.00 C ATOM 0 H LEU A 24 6.151 4.270 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 24 5.319 6.316 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.229 6.142 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.618 4.871 -8.821 1.00 0.00 H new ATOM 0 HG LEU A 24 4.604 4.535 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.445 3.635 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.357 5.376 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.689 4.193 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.057 2.180 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.409 2.643 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.138 2.867 -7.717 1.00 0.00 H new ATOM 340 N SER A 25 4.950 8.282 -7.567 1.00 0.00 N ATOM 341 CA SER A 25 5.119 9.512 -6.811 1.00 0.00 C ATOM 342 C SER A 25 3.753 10.072 -6.411 1.00 0.00 C ATOM 343 O SER A 25 2.722 9.459 -6.686 1.00 0.00 O ATOM 344 CB SER A 25 5.903 10.549 -7.617 1.00 0.00 C ATOM 345 OG SER A 25 7.289 10.227 -7.697 1.00 0.00 O ATOM 0 H SER A 25 4.309 8.352 -8.357 1.00 0.00 H new ATOM 0 HA SER A 25 5.689 9.285 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.488 10.616 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.785 11.530 -7.157 1.00 0.00 H new ATOM 0 HG SER A 25 7.754 10.912 -8.221 1.00 0.00 H new ATOM 351 N GLU A 26 3.789 11.230 -5.769 1.00 0.00 N ATOM 352 CA GLU A 26 2.566 11.880 -5.328 1.00 0.00 C ATOM 353 C GLU A 26 1.535 11.892 -6.458 1.00 0.00 C ATOM 354 O GLU A 26 0.358 11.613 -6.233 1.00 0.00 O ATOM 355 CB GLU A 26 2.848 13.298 -4.828 1.00 0.00 C ATOM 356 CG GLU A 26 3.760 13.274 -3.600 1.00 0.00 C ATOM 357 CD GLU A 26 4.405 14.643 -3.369 1.00 0.00 C ATOM 358 OE1 GLU A 26 3.675 15.540 -2.894 1.00 0.00 O ATOM 359 OE2 GLU A 26 5.611 14.760 -3.672 1.00 0.00 O ATOM 0 H GLU A 26 4.646 11.735 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 26 2.156 11.311 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.315 13.881 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.909 13.793 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.184 12.986 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.536 12.520 -3.734 1.00 0.00 H new ATOM 366 N ASP A 27 2.014 12.219 -7.650 1.00 0.00 N ATOM 367 CA ASP A 27 1.148 12.271 -8.816 1.00 0.00 C ATOM 368 C ASP A 27 0.296 11.001 -8.871 1.00 0.00 C ATOM 369 O ASP A 27 -0.932 11.071 -8.839 1.00 0.00 O ATOM 370 CB ASP A 27 1.966 12.348 -10.106 1.00 0.00 C ATOM 371 CG ASP A 27 1.207 12.884 -11.322 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.500 12.070 -11.954 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.352 14.096 -11.591 1.00 0.00 O ATOM 0 H ASP A 27 2.990 12.450 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 27 0.522 13.160 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.835 12.982 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.341 11.352 -10.341 1.00 0.00 H new ATOM 378 N ASP A 28 0.981 9.870 -8.951 1.00 0.00 N ATOM 379 CA ASP A 28 0.303 8.587 -9.011 1.00 0.00 C ATOM 380 C ASP A 28 -0.708 8.496 -7.866 1.00 0.00 C ATOM 381 O ASP A 28 -0.499 9.075 -6.801 1.00 0.00 O ATOM 382 CB ASP A 28 1.295 7.432 -8.860 1.00 0.00 C ATOM 383 CG ASP A 28 2.264 7.254 -10.030 1.00 0.00 C ATOM 384 OD1 ASP A 28 3.244 8.028 -10.078 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.003 6.348 -10.850 1.00 0.00 O ATOM 0 H ASP A 28 1.999 9.816 -8.976 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.192 8.512 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.874 7.587 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.734 6.507 -8.728 1.00 0.00 H new ATOM 390 N THR A 29 -1.781 7.763 -8.124 1.00 0.00 N ATOM 391 CA THR A 29 -2.825 7.588 -7.128 1.00 0.00 C ATOM 392 C THR A 29 -2.647 6.256 -6.398 1.00 0.00 C ATOM 393 O THR A 29 -1.768 5.467 -6.742 1.00 0.00 O ATOM 394 CB THR A 29 -4.177 7.720 -7.832 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.107 6.777 -8.897 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.341 9.068 -8.537 1.00 0.00 C ATOM 0 H THR A 29 -1.950 7.283 -9.008 1.00 0.00 H new ATOM 0 HA THR A 29 -2.768 8.356 -6.356 1.00 0.00 H new ATOM 0 HB THR A 29 -4.979 7.591 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.945 6.795 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.317 9.109 -9.020 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.264 9.873 -7.806 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.559 9.183 -9.288 1.00 0.00 H new ATOM 404 N VAL A 30 -3.496 6.045 -5.402 1.00 0.00 N ATOM 405 CA VAL A 30 -3.444 4.822 -4.620 1.00 0.00 C ATOM 406 C VAL A 30 -3.492 3.617 -5.563 1.00 0.00 C ATOM 407 O VAL A 30 -2.657 2.718 -5.470 1.00 0.00 O ATOM 408 CB VAL A 30 -4.569 4.815 -3.583 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.701 3.439 -2.927 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.353 5.906 -2.533 1.00 0.00 C ATOM 0 H VAL A 30 -4.224 6.701 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.508 4.763 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.504 5.030 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.508 3.461 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.924 2.692 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.766 3.182 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.166 5.879 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.405 5.736 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.333 6.881 -3.020 1.00 0.00 H new ATOM 420 N LEU A 31 -4.478 3.638 -6.448 1.00 0.00 N ATOM 421 CA LEU A 31 -4.646 2.558 -7.406 1.00 0.00 C ATOM 422 C LEU A 31 -3.273 2.121 -7.921 1.00 0.00 C ATOM 423 O LEU A 31 -2.917 0.947 -7.830 1.00 0.00 O ATOM 424 CB LEU A 31 -5.615 2.972 -8.515 1.00 0.00 C ATOM 425 CG LEU A 31 -6.020 1.872 -9.498 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.163 1.026 -8.934 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.363 2.459 -10.868 1.00 0.00 C ATOM 0 H LEU A 31 -5.168 4.385 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.098 1.690 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.519 3.368 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.163 3.787 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.167 1.208 -9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.431 0.252 -9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.845 0.561 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.028 1.662 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.647 1.655 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.192 3.159 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.494 2.982 -11.268 1.00 0.00 H new ATOM 439 N ASP A 32 -2.539 3.089 -8.450 1.00 0.00 N ATOM 440 CA ASP A 32 -1.213 2.818 -8.979 1.00 0.00 C ATOM 441 C ASP A 32 -0.460 1.902 -8.012 1.00 0.00 C ATOM 442 O ASP A 32 0.045 0.854 -8.411 1.00 0.00 O ATOM 443 CB ASP A 32 -0.407 4.109 -9.132 1.00 0.00 C ATOM 444 CG ASP A 32 0.068 4.410 -10.555 1.00 0.00 C ATOM 445 OD1 ASP A 32 0.737 3.524 -11.129 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.247 5.520 -11.036 1.00 0.00 O ATOM 0 H ASP A 32 -2.837 4.062 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.329 2.347 -9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.016 4.943 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.463 4.056 -8.478 1.00 0.00 H new ATOM 451 N LEU A 33 -0.408 2.332 -6.760 1.00 0.00 N ATOM 452 CA LEU A 33 0.276 1.564 -5.733 1.00 0.00 C ATOM 453 C LEU A 33 -0.287 0.141 -5.708 1.00 0.00 C ATOM 454 O LEU A 33 0.454 -0.826 -5.875 1.00 0.00 O ATOM 455 CB LEU A 33 0.195 2.281 -4.384 1.00 0.00 C ATOM 456 CG LEU A 33 1.089 1.725 -3.274 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.564 2.008 -3.566 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.662 2.261 -1.906 1.00 0.00 C ATOM 0 H LEU A 33 -0.828 3.202 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 33 1.339 1.484 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.449 3.330 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.839 2.250 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 33 0.968 0.642 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.178 1.603 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.845 1.539 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.721 3.084 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.314 1.850 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.736 3.348 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.368 1.967 -1.705 1.00 0.00 H new ATOM 470 N LYS A 34 -1.592 0.059 -5.498 1.00 0.00 N ATOM 471 CA LYS A 34 -2.263 -1.229 -5.448 1.00 0.00 C ATOM 472 C LYS A 34 -1.866 -2.053 -6.675 1.00 0.00 C ATOM 473 O LYS A 34 -1.252 -3.111 -6.545 1.00 0.00 O ATOM 474 CB LYS A 34 -3.773 -1.042 -5.296 1.00 0.00 C ATOM 475 CG LYS A 34 -4.112 -0.393 -3.952 1.00 0.00 C ATOM 476 CD LYS A 34 -5.590 0.001 -3.891 1.00 0.00 C ATOM 477 CE LYS A 34 -6.120 -0.084 -2.458 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.591 0.076 -2.440 1.00 0.00 N ATOM 0 H LYS A 34 -2.203 0.864 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.945 -1.790 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.150 -0.422 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.272 -2.008 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.883 -1.085 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.490 0.490 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.716 1.015 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.172 -0.655 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.847 -1.044 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.656 0.690 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.935 0.016 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.844 1.002 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.029 -0.677 -3.007 1.00 0.00 H new ATOM 492 N GLN A 35 -2.234 -1.537 -7.839 1.00 0.00 N ATOM 493 CA GLN A 35 -1.925 -2.212 -9.088 1.00 0.00 C ATOM 494 C GLN A 35 -0.491 -2.746 -9.062 1.00 0.00 C ATOM 495 O GLN A 35 -0.229 -3.853 -9.529 1.00 0.00 O ATOM 496 CB GLN A 35 -2.141 -1.280 -10.282 1.00 0.00 C ATOM 497 CG GLN A 35 -3.615 -1.241 -10.687 1.00 0.00 C ATOM 498 CD GLN A 35 -4.129 -2.643 -11.023 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.372 -3.565 -11.280 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.455 -2.752 -11.006 1.00 0.00 N ATOM 0 H GLN A 35 -2.743 -0.659 -7.943 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.605 -3.057 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.803 -0.275 -10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.537 -1.617 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.207 -0.817 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.742 -0.587 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.031 -1.940 -10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.896 -3.647 -11.216 1.00 0.00 H new ATOM 509 N PHE A 36 0.399 -1.934 -8.510 1.00 0.00 N ATOM 510 CA PHE A 36 1.799 -2.312 -8.417 1.00 0.00 C ATOM 511 C PHE A 36 2.012 -3.362 -7.325 1.00 0.00 C ATOM 512 O PHE A 36 2.861 -4.241 -7.461 1.00 0.00 O ATOM 513 CB PHE A 36 2.579 -1.047 -8.051 1.00 0.00 C ATOM 514 CG PHE A 36 4.088 -1.159 -8.281 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.561 -1.692 -9.440 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.955 -0.724 -7.328 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.961 -1.796 -9.653 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.355 -0.828 -7.542 1.00 0.00 C ATOM 519 CZ PHE A 36 6.829 -1.362 -8.700 1.00 0.00 C ATOM 0 H PHE A 36 0.178 -1.017 -8.123 1.00 0.00 H new ATOM 0 HA PHE A 36 2.134 -2.738 -9.363 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.193 -0.212 -8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.398 -0.811 -7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.872 -2.036 -10.197 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.579 -0.300 -6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.337 -2.220 -10.572 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.044 -0.483 -6.785 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.894 -1.441 -8.862 1.00 0.00 H new ATOM 529 N LEU A 37 1.227 -3.235 -6.265 1.00 0.00 N ATOM 530 CA LEU A 37 1.319 -4.163 -5.150 1.00 0.00 C ATOM 531 C LEU A 37 0.823 -5.540 -5.596 1.00 0.00 C ATOM 532 O LEU A 37 1.046 -6.536 -4.909 1.00 0.00 O ATOM 533 CB LEU A 37 0.581 -3.609 -3.930 1.00 0.00 C ATOM 534 CG LEU A 37 1.128 -2.302 -3.352 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.012 -1.481 -2.702 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.280 -2.571 -2.382 1.00 0.00 C ATOM 0 H LEU A 37 0.525 -2.504 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 37 2.357 -4.283 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.463 -3.454 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.598 -4.365 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 37 1.530 -1.708 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.427 -0.557 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.746 -1.243 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.441 -2.057 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.650 -1.626 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.926 -3.195 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.085 -3.085 -2.907 1.00 0.00 H new ATOM 548 N LYS A 38 0.159 -5.552 -6.743 1.00 0.00 N ATOM 549 CA LYS A 38 -0.370 -6.791 -7.288 1.00 0.00 C ATOM 550 C LYS A 38 0.774 -7.607 -7.892 1.00 0.00 C ATOM 551 O LYS A 38 0.703 -8.833 -7.951 1.00 0.00 O ATOM 552 CB LYS A 38 -1.505 -6.501 -8.271 1.00 0.00 C ATOM 553 CG LYS A 38 -2.153 -7.799 -8.759 1.00 0.00 C ATOM 554 CD LYS A 38 -3.498 -7.521 -9.433 1.00 0.00 C ATOM 555 CE LYS A 38 -3.418 -7.769 -10.940 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.966 -6.613 -11.685 1.00 0.00 N ATOM 0 H LYS A 38 -0.025 -4.724 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.811 -7.398 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.256 -5.874 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.119 -5.940 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.487 -8.300 -9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.297 -8.476 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.266 -8.159 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.796 -6.489 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.382 -7.939 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.974 -8.671 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.709 -6.694 -12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.002 -6.600 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.573 -5.732 -11.297 1.00 0.00 H new ATOM 570 N THR A 39 1.803 -6.893 -8.326 1.00 0.00 N ATOM 571 CA THR A 39 2.961 -7.536 -8.924 1.00 0.00 C ATOM 572 C THR A 39 4.086 -7.671 -7.896 1.00 0.00 C ATOM 573 O THR A 39 4.788 -8.680 -7.869 1.00 0.00 O ATOM 574 CB THR A 39 3.362 -6.731 -10.162 1.00 0.00 C ATOM 575 OG1 THR A 39 3.943 -7.699 -11.032 1.00 0.00 O ATOM 576 CG2 THR A 39 4.502 -5.751 -9.879 1.00 0.00 C ATOM 0 H THR A 39 1.859 -5.876 -8.275 1.00 0.00 H new ATOM 0 HA THR A 39 2.729 -8.553 -9.241 1.00 0.00 H new ATOM 0 HB THR A 39 2.497 -6.183 -10.535 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.230 -7.263 -11.861 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.747 -5.205 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.193 -5.047 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.379 -6.302 -9.538 1.00 0.00 H new ATOM 584 N LEU A 40 4.222 -6.639 -7.077 1.00 0.00 N ATOM 585 CA LEU A 40 5.250 -6.629 -6.050 1.00 0.00 C ATOM 586 C LEU A 40 5.091 -7.867 -5.164 1.00 0.00 C ATOM 587 O LEU A 40 6.018 -8.664 -5.033 1.00 0.00 O ATOM 588 CB LEU A 40 5.221 -5.310 -5.275 1.00 0.00 C ATOM 589 CG LEU A 40 6.126 -4.198 -5.810 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.713 -2.837 -5.246 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.598 -4.510 -5.536 1.00 0.00 C ATOM 0 H LEU A 40 3.637 -5.804 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 40 6.240 -6.684 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.195 -4.942 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.500 -5.513 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 40 6.004 -4.148 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.372 -2.064 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.685 -2.620 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.788 -2.856 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.220 -3.704 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.756 -4.603 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.869 -5.446 -6.025 1.00 0.00 H new ATOM 603 N THR A 41 3.909 -7.988 -4.578 1.00 0.00 N ATOM 604 CA THR A 41 3.617 -9.114 -3.708 1.00 0.00 C ATOM 605 C THR A 41 3.072 -10.289 -4.522 1.00 0.00 C ATOM 606 O THR A 41 3.664 -11.367 -4.535 1.00 0.00 O ATOM 607 CB THR A 41 2.656 -8.633 -2.618 1.00 0.00 C ATOM 608 OG1 THR A 41 1.427 -8.423 -3.307 1.00 0.00 O ATOM 609 CG2 THR A 41 3.025 -7.249 -2.082 1.00 0.00 C ATOM 0 H THR A 41 3.142 -7.325 -4.689 1.00 0.00 H new ATOM 0 HA THR A 41 4.521 -9.485 -3.225 1.00 0.00 H new ATOM 0 HB THR A 41 2.650 -9.350 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.400 -7.508 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.312 -6.955 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.028 -7.279 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.999 -6.525 -2.896 1.00 0.00 H new ATOM 617 N GLY A 42 1.950 -10.042 -5.181 1.00 0.00 N ATOM 618 CA GLY A 42 1.319 -11.066 -5.996 1.00 0.00 C ATOM 619 C GLY A 42 -0.082 -11.394 -5.476 1.00 0.00 C ATOM 620 O GLY A 42 -0.527 -12.538 -5.561 1.00 0.00 O ATOM 0 H GLY A 42 1.461 -9.147 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.257 -10.726 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.932 -11.967 -5.993 1.00 0.00 H new ATOM 624 N VAL A 43 -0.738 -10.371 -4.948 1.00 0.00 N ATOM 625 CA VAL A 43 -2.079 -10.537 -4.414 1.00 0.00 C ATOM 626 C VAL A 43 -2.994 -9.460 -5.001 1.00 0.00 C ATOM 627 O VAL A 43 -2.566 -8.327 -5.216 1.00 0.00 O ATOM 628 CB VAL A 43 -2.039 -10.518 -2.884 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.452 -10.480 -2.299 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.253 -11.713 -2.342 1.00 0.00 C ATOM 0 H VAL A 43 -0.366 -9.424 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.488 -11.505 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.524 -9.609 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.395 -10.467 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.966 -9.583 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.004 -11.362 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.240 -11.676 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.728 -12.639 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.231 -11.677 -2.719 1.00 0.00 H new ATOM 640 N LEU A 44 -4.236 -9.853 -5.244 1.00 0.00 N ATOM 641 CA LEU A 44 -5.214 -8.935 -5.802 1.00 0.00 C ATOM 642 C LEU A 44 -5.237 -7.652 -4.970 1.00 0.00 C ATOM 643 O LEU A 44 -4.938 -7.676 -3.777 1.00 0.00 O ATOM 644 CB LEU A 44 -6.580 -9.616 -5.921 1.00 0.00 C ATOM 645 CG LEU A 44 -6.617 -10.907 -6.740 1.00 0.00 C ATOM 646 CD1 LEU A 44 -7.964 -11.616 -6.585 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.277 -10.636 -8.207 1.00 0.00 C ATOM 0 H LEU A 44 -4.587 -10.794 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.935 -8.651 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.943 -9.836 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.279 -8.908 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.852 -11.580 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.964 -12.531 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.127 -11.863 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.763 -10.960 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.310 -11.571 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.001 -9.936 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.277 -10.208 -8.276 1.00 0.00 H new ATOM 659 N PRO A 45 -5.604 -6.532 -5.650 1.00 0.00 N ATOM 660 CA PRO A 45 -5.669 -5.242 -4.986 1.00 0.00 C ATOM 661 C PRO A 45 -6.908 -5.147 -4.092 1.00 0.00 C ATOM 662 O PRO A 45 -6.852 -4.573 -3.006 1.00 0.00 O ATOM 663 CB PRO A 45 -5.669 -4.220 -6.111 1.00 0.00 C ATOM 664 CG PRO A 45 -6.071 -4.980 -7.364 1.00 0.00 C ATOM 665 CD PRO A 45 -5.964 -6.466 -7.063 1.00 0.00 C ATOM 0 HA PRO A 45 -4.829 -5.073 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.369 -3.411 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.684 -3.767 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.089 -4.722 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.422 -4.712 -8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.907 -6.978 -7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.208 -6.943 -7.687 1.00 0.00 H new ATOM 673 N GLU A 46 -7.997 -5.719 -4.583 1.00 0.00 N ATOM 674 CA GLU A 46 -9.248 -5.706 -3.843 1.00 0.00 C ATOM 675 C GLU A 46 -9.148 -6.615 -2.617 1.00 0.00 C ATOM 676 O GLU A 46 -10.007 -6.574 -1.737 1.00 0.00 O ATOM 677 CB GLU A 46 -10.419 -6.118 -4.738 1.00 0.00 C ATOM 678 CG GLU A 46 -10.227 -7.539 -5.271 1.00 0.00 C ATOM 679 CD GLU A 46 -11.519 -8.069 -5.897 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.726 -7.785 -7.096 1.00 0.00 O ATOM 681 OE2 GLU A 46 -12.270 -8.746 -5.161 1.00 0.00 O ATOM 0 H GLU A 46 -8.040 -6.195 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.436 -4.688 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.350 -6.060 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.507 -5.422 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.429 -7.548 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.915 -8.197 -4.460 1.00 0.00 H new ATOM 688 N ARG A 47 -8.092 -7.415 -2.597 1.00 0.00 N ATOM 689 CA ARG A 47 -7.868 -8.333 -1.493 1.00 0.00 C ATOM 690 C ARG A 47 -6.838 -7.754 -0.521 1.00 0.00 C ATOM 691 O ARG A 47 -6.995 -7.862 0.694 1.00 0.00 O ATOM 692 CB ARG A 47 -7.377 -9.691 -1.997 1.00 0.00 C ATOM 693 CG ARG A 47 -8.518 -10.483 -2.638 1.00 0.00 C ATOM 694 CD ARG A 47 -8.763 -11.795 -1.890 1.00 0.00 C ATOM 695 NE ARG A 47 -10.167 -11.858 -1.426 1.00 0.00 N ATOM 696 CZ ARG A 47 -10.644 -12.798 -0.598 1.00 0.00 C ATOM 697 NH1 ARG A 47 -9.831 -13.759 -0.137 1.00 0.00 N ATOM 698 NH2 ARG A 47 -11.932 -12.777 -0.230 1.00 0.00 N ATOM 0 H ARG A 47 -7.382 -7.446 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.819 -8.471 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.577 -9.546 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.955 -10.260 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.428 -9.883 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.278 -10.694 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.549 -12.641 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.086 -11.870 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.812 -11.141 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.850 -13.775 -0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.193 -14.475 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.551 -12.045 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.294 -13.493 0.400 1.00 0.00 H new ATOM 712 N GLN A 48 -5.806 -7.151 -1.094 1.00 0.00 N ATOM 713 CA GLN A 48 -4.750 -6.555 -0.293 1.00 0.00 C ATOM 714 C GLN A 48 -5.344 -5.596 0.740 1.00 0.00 C ATOM 715 O GLN A 48 -5.975 -4.603 0.380 1.00 0.00 O ATOM 716 CB GLN A 48 -3.727 -5.841 -1.179 1.00 0.00 C ATOM 717 CG GLN A 48 -2.668 -6.819 -1.692 1.00 0.00 C ATOM 718 CD GLN A 48 -1.515 -6.074 -2.368 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.500 -5.768 -1.764 1.00 0.00 O ATOM 720 NE2 GLN A 48 -1.728 -5.799 -3.652 1.00 0.00 N ATOM 0 H GLN A 48 -5.679 -7.063 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.229 -7.352 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.235 -5.374 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.246 -5.042 -0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.285 -7.414 -0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.121 -7.513 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.601 -6.084 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.019 -5.303 -4.192 1.00 0.00 H new ATOM 729 N LYS A 49 -5.122 -5.926 2.004 1.00 0.00 N ATOM 730 CA LYS A 49 -5.628 -5.107 3.092 1.00 0.00 C ATOM 731 C LYS A 49 -4.499 -4.224 3.627 1.00 0.00 C ATOM 732 O LYS A 49 -3.522 -4.726 4.180 1.00 0.00 O ATOM 733 CB LYS A 49 -6.283 -5.982 4.162 1.00 0.00 C ATOM 734 CG LYS A 49 -7.670 -5.451 4.531 1.00 0.00 C ATOM 735 CD LYS A 49 -7.603 -4.560 5.773 1.00 0.00 C ATOM 736 CE LYS A 49 -6.976 -3.204 5.442 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.890 -2.104 5.821 1.00 0.00 N ATOM 0 H LYS A 49 -4.598 -6.750 2.299 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.413 -4.441 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.367 -7.006 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.652 -6.010 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.081 -4.885 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.346 -6.286 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.606 -4.413 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.019 -5.055 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.029 -3.096 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.754 -3.150 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.353 -1.217 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.628 -2.000 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.333 -2.320 6.737 1.00 0.00 H new ATOM 751 N LEU A 50 -4.670 -2.923 3.442 1.00 0.00 N ATOM 752 CA LEU A 50 -3.678 -1.965 3.899 1.00 0.00 C ATOM 753 C LEU A 50 -4.058 -1.470 5.296 1.00 0.00 C ATOM 754 O LEU A 50 -5.203 -1.089 5.533 1.00 0.00 O ATOM 755 CB LEU A 50 -3.506 -0.841 2.875 1.00 0.00 C ATOM 756 CG LEU A 50 -3.192 -1.281 1.444 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.754 -0.091 0.588 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.157 -2.408 1.431 1.00 0.00 C ATOM 0 H LEU A 50 -5.481 -2.510 2.982 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.701 -2.441 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.420 -0.247 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.706 -0.185 3.216 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.105 -1.678 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.537 -0.431 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.553 0.650 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.859 0.358 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.952 -2.702 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.236 -2.062 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.545 -3.265 1.982 1.00 0.00 H new ATOM 770 N LEU A 51 -3.076 -1.493 6.185 1.00 0.00 N ATOM 771 CA LEU A 51 -3.293 -1.051 7.552 1.00 0.00 C ATOM 772 C LEU A 51 -2.260 0.019 7.908 1.00 0.00 C ATOM 773 O LEU A 51 -1.073 -0.276 8.034 1.00 0.00 O ATOM 774 CB LEU A 51 -3.294 -2.247 8.507 1.00 0.00 C ATOM 775 CG LEU A 51 -4.481 -2.337 9.468 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.794 -2.509 8.702 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.269 -3.447 10.499 1.00 0.00 C ATOM 0 H LEU A 51 -2.128 -1.811 5.985 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.276 -0.591 7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.263 -3.161 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.377 -2.218 9.095 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.549 -1.397 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.622 -2.570 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.944 -1.656 8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.753 -3.424 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.127 -3.489 11.170 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.161 -4.403 9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.368 -3.240 11.076 1.00 0.00 H new ATOM 789 N GLY A 52 -2.749 1.241 8.060 1.00 0.00 N ATOM 790 CA GLY A 52 -1.883 2.358 8.399 1.00 0.00 C ATOM 791 C GLY A 52 -2.605 3.692 8.198 1.00 0.00 C ATOM 792 O GLY A 52 -2.635 4.527 9.101 1.00 0.00 O ATOM 0 H GLY A 52 -3.734 1.482 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.558 2.269 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.986 2.329 7.780 1.00 0.00 H new ATOM 796 N LEU A 53 -3.169 3.850 7.010 1.00 0.00 N ATOM 797 CA LEU A 53 -3.889 5.069 6.680 1.00 0.00 C ATOM 798 C LEU A 53 -5.321 4.716 6.273 1.00 0.00 C ATOM 799 O LEU A 53 -5.533 3.875 5.401 1.00 0.00 O ATOM 800 CB LEU A 53 -3.129 5.869 5.621 1.00 0.00 C ATOM 801 CG LEU A 53 -2.654 5.083 4.397 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.098 5.764 3.101 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.141 4.862 4.440 1.00 0.00 C ATOM 0 H LEU A 53 -3.142 3.155 6.264 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.956 5.720 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.770 6.682 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.260 6.326 6.094 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.123 4.099 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.747 5.185 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.186 5.825 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.678 6.769 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.830 4.301 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.633 5.826 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.881 4.301 5.338 1.00 0.00 H new ATOM 815 N LYS A 54 -6.267 5.376 6.926 1.00 0.00 N ATOM 816 CA LYS A 54 -7.673 5.142 6.643 1.00 0.00 C ATOM 817 C LYS A 54 -8.415 6.480 6.631 1.00 0.00 C ATOM 818 O LYS A 54 -7.862 7.504 7.028 1.00 0.00 O ATOM 819 CB LYS A 54 -8.255 4.125 7.626 1.00 0.00 C ATOM 820 CG LYS A 54 -7.856 2.699 7.241 1.00 0.00 C ATOM 821 CD LYS A 54 -7.767 1.802 8.477 1.00 0.00 C ATOM 822 CE LYS A 54 -6.548 2.160 9.329 1.00 0.00 C ATOM 823 NZ LYS A 54 -6.477 1.290 10.524 1.00 0.00 N ATOM 0 H LYS A 54 -6.087 6.072 7.650 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.795 4.700 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.903 4.345 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.342 4.210 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.585 2.290 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.895 2.713 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.674 1.906 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.706 0.758 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.639 2.050 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.605 3.205 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.644 1.546 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.337 1.415 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.400 0.297 10.226 1.00 0.00 H new ATOM 837 N VAL A 55 -9.656 6.428 6.169 1.00 0.00 N ATOM 838 CA VAL A 55 -10.480 7.623 6.100 1.00 0.00 C ATOM 839 C VAL A 55 -11.879 7.304 6.630 1.00 0.00 C ATOM 840 O VAL A 55 -12.693 6.708 5.925 1.00 0.00 O ATOM 841 CB VAL A 55 -10.491 8.168 4.670 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.526 9.284 4.518 1.00 0.00 C ATOM 843 CG2 VAL A 55 -9.100 8.649 4.256 1.00 0.00 C ATOM 0 H VAL A 55 -10.111 5.577 5.839 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.066 8.410 6.730 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.775 7.354 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.514 9.654 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.517 8.895 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.285 10.099 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.136 9.031 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.774 9.442 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.397 7.817 4.307 1.00 0.00 H new ATOM 853 N LYS A 56 -12.117 7.714 7.867 1.00 0.00 N ATOM 854 CA LYS A 56 -13.404 7.480 8.499 1.00 0.00 C ATOM 855 C LYS A 56 -13.885 6.068 8.158 1.00 0.00 C ATOM 856 O LYS A 56 -14.936 5.898 7.543 1.00 0.00 O ATOM 857 CB LYS A 56 -14.398 8.578 8.114 1.00 0.00 C ATOM 858 CG LYS A 56 -14.033 9.906 8.781 1.00 0.00 C ATOM 859 CD LYS A 56 -15.265 10.799 8.933 1.00 0.00 C ATOM 860 CE LYS A 56 -14.884 12.279 8.846 1.00 0.00 C ATOM 861 NZ LYS A 56 -14.839 12.883 10.196 1.00 0.00 N ATOM 0 H LYS A 56 -11.440 8.207 8.449 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.311 7.533 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.408 8.701 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.405 8.283 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.594 9.717 9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.278 10.420 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.990 10.560 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.747 10.600 9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.913 12.383 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.607 12.811 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.579 13.887 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.774 12.801 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.132 12.386 10.775 1.00 0.00 H new ATOM 875 N GLY A 57 -13.092 5.091 8.574 1.00 0.00 N ATOM 876 CA GLY A 57 -13.424 3.699 8.321 1.00 0.00 C ATOM 877 C GLY A 57 -12.571 3.130 7.185 1.00 0.00 C ATOM 878 O GLY A 57 -11.565 2.467 7.431 1.00 0.00 O ATOM 0 H GLY A 57 -12.221 5.236 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.267 3.113 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.480 3.614 8.065 1.00 0.00 H new ATOM 882 N LYS A 58 -13.004 3.411 5.964 1.00 0.00 N ATOM 883 CA LYS A 58 -12.293 2.935 4.790 1.00 0.00 C ATOM 884 C LYS A 58 -11.225 3.958 4.397 1.00 0.00 C ATOM 885 O LYS A 58 -11.360 5.145 4.689 1.00 0.00 O ATOM 886 CB LYS A 58 -13.276 2.610 3.664 1.00 0.00 C ATOM 887 CG LYS A 58 -14.056 1.329 3.969 1.00 0.00 C ATOM 888 CD LYS A 58 -13.237 0.089 3.604 1.00 0.00 C ATOM 889 CE LYS A 58 -14.016 -0.822 2.653 1.00 0.00 C ATOM 890 NZ LYS A 58 -13.949 -2.227 3.111 1.00 0.00 N ATOM 0 H LYS A 58 -13.838 3.962 5.763 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.776 2.001 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.970 3.440 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.734 2.495 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.315 1.300 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.993 1.328 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.300 0.392 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.979 -0.460 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.056 -0.499 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.607 -0.742 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.483 -2.832 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.956 -2.536 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.361 -2.302 4.063 1.00 0.00 H new ATOM 904 N PRO A 59 -10.159 3.446 3.725 1.00 0.00 N ATOM 905 CA PRO A 59 -9.068 4.301 3.289 1.00 0.00 C ATOM 906 C PRO A 59 -9.478 5.136 2.075 1.00 0.00 C ATOM 907 O PRO A 59 -10.455 4.818 1.399 1.00 0.00 O ATOM 908 CB PRO A 59 -7.917 3.352 2.997 1.00 0.00 C ATOM 909 CG PRO A 59 -8.543 1.976 2.832 1.00 0.00 C ATOM 910 CD PRO A 59 -9.966 2.045 3.363 1.00 0.00 C ATOM 0 HA PRO A 59 -8.780 5.034 4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.385 3.650 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.191 3.356 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.541 1.679 1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.968 1.227 3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.686 1.728 2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.099 1.391 4.225 1.00 0.00 H new ATOM 918 N ALA A 60 -8.709 6.188 1.834 1.00 0.00 N ATOM 919 CA ALA A 60 -8.979 7.072 0.713 1.00 0.00 C ATOM 920 C ALA A 60 -9.342 6.234 -0.515 1.00 0.00 C ATOM 921 O ALA A 60 -9.015 5.050 -0.582 1.00 0.00 O ATOM 922 CB ALA A 60 -7.766 7.971 0.467 1.00 0.00 C ATOM 0 H ALA A 60 -7.899 6.448 2.396 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.826 7.722 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.969 8.634 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.567 8.566 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.896 7.354 0.241 1.00 0.00 H new ATOM 928 N GLU A 61 -10.014 6.881 -1.456 1.00 0.00 N ATOM 929 CA GLU A 61 -10.424 6.211 -2.678 1.00 0.00 C ATOM 930 C GLU A 61 -9.198 5.738 -3.462 1.00 0.00 C ATOM 931 O GLU A 61 -8.070 6.101 -3.135 1.00 0.00 O ATOM 932 CB GLU A 61 -11.305 7.123 -3.535 1.00 0.00 C ATOM 933 CG GLU A 61 -12.626 7.431 -2.828 1.00 0.00 C ATOM 934 CD GLU A 61 -13.738 6.498 -3.313 1.00 0.00 C ATOM 935 OE1 GLU A 61 -14.290 6.789 -4.397 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.011 5.516 -2.590 1.00 0.00 O ATOM 0 H GLU A 61 -10.285 7.863 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.017 5.337 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.776 8.052 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.505 6.645 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.500 7.323 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.909 8.467 -3.014 1.00 0.00 H new ATOM 943 N ASN A 62 -9.462 4.935 -4.483 1.00 0.00 N ATOM 944 CA ASN A 62 -8.394 4.409 -5.316 1.00 0.00 C ATOM 945 C ASN A 62 -7.884 5.515 -6.242 1.00 0.00 C ATOM 946 O ASN A 62 -6.678 5.658 -6.438 1.00 0.00 O ATOM 947 CB ASN A 62 -8.893 3.256 -6.188 1.00 0.00 C ATOM 948 CG ASN A 62 -10.145 3.661 -6.969 1.00 0.00 C ATOM 949 OD1 ASN A 62 -11.163 4.036 -6.410 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.014 3.564 -8.289 1.00 0.00 N ATOM 0 H ASN A 62 -10.399 4.636 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.601 4.049 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.109 2.955 -6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.114 2.391 -5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.794 3.811 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.134 3.243 -8.692 1.00 0.00 H new ATOM 957 N ASP A 63 -8.827 6.269 -6.787 1.00 0.00 N ATOM 958 CA ASP A 63 -8.488 7.358 -7.687 1.00 0.00 C ATOM 959 C ASP A 63 -8.194 8.618 -6.870 1.00 0.00 C ATOM 960 O ASP A 63 -8.716 9.691 -7.168 1.00 0.00 O ATOM 961 CB ASP A 63 -9.647 7.669 -8.636 1.00 0.00 C ATOM 962 CG ASP A 63 -9.413 8.855 -9.575 1.00 0.00 C ATOM 963 OD1 ASP A 63 -8.407 8.803 -10.315 1.00 0.00 O ATOM 964 OD2 ASP A 63 -10.246 9.786 -9.531 1.00 0.00 O ATOM 0 H ASP A 63 -9.826 6.147 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.617 7.056 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.852 6.783 -9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.540 7.865 -8.043 1.00 0.00 H new ATOM 969 N VAL A 64 -7.361 8.445 -5.855 1.00 0.00 N ATOM 970 CA VAL A 64 -6.992 9.554 -4.992 1.00 0.00 C ATOM 971 C VAL A 64 -5.486 9.801 -5.102 1.00 0.00 C ATOM 972 O VAL A 64 -4.724 8.885 -5.408 1.00 0.00 O ATOM 973 CB VAL A 64 -7.449 9.277 -3.559 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.523 9.955 -2.547 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.901 9.715 -3.352 1.00 0.00 C ATOM 0 H VAL A 64 -6.931 7.553 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.495 10.468 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.396 8.201 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.871 9.742 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.509 9.574 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.529 11.032 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.201 9.507 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.990 10.784 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.548 9.167 -4.037 1.00 0.00 H new ATOM 985 N LYS A 65 -5.102 11.043 -4.845 1.00 0.00 N ATOM 986 CA LYS A 65 -3.700 11.422 -4.911 1.00 0.00 C ATOM 987 C LYS A 65 -3.023 11.089 -3.580 1.00 0.00 C ATOM 988 O LYS A 65 -3.420 11.600 -2.533 1.00 0.00 O ATOM 989 CB LYS A 65 -3.560 12.888 -5.323 1.00 0.00 C ATOM 990 CG LYS A 65 -3.217 13.011 -6.808 1.00 0.00 C ATOM 991 CD LYS A 65 -1.796 13.545 -7.000 1.00 0.00 C ATOM 992 CE LYS A 65 -1.796 14.800 -7.875 1.00 0.00 C ATOM 993 NZ LYS A 65 -0.680 15.696 -7.496 1.00 0.00 N ATOM 0 H LYS A 65 -5.737 11.800 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.186 10.848 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.490 13.418 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.782 13.364 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.311 12.037 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.929 13.677 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.355 13.774 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.174 12.777 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.704 14.519 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.745 15.326 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.694 16.543 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.784 15.978 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.224 15.197 -7.621 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.014 10.235 -3.663 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.278 9.828 -2.478 1.00 0.00 C ATOM 1009 C LEU A 66 -0.669 11.064 -1.812 1.00 0.00 C ATOM 1010 O LEU A 66 -0.422 11.066 -0.607 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.251 8.750 -2.829 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.817 7.431 -3.358 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.021 6.939 -4.568 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.885 6.379 -2.250 1.00 0.00 C ATOM 0 H LEU A 66 -1.688 9.813 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.949 9.371 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.431 9.156 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.341 8.537 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.838 7.609 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.444 6.000 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.069 7.684 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.019 6.783 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.291 5.451 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.116 6.197 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.529 6.738 -1.447 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.446 12.086 -2.625 1.00 0.00 N ATOM 1027 CA GLY A 67 0.129 13.325 -2.130 1.00 0.00 C ATOM 1028 C GLY A 67 -0.903 14.130 -1.338 1.00 0.00 C ATOM 1029 O GLY A 67 -0.590 14.682 -0.284 1.00 0.00 O ATOM 0 H GLY A 67 -0.653 12.081 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.988 13.104 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.495 13.920 -2.967 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.113 14.172 -1.876 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.193 14.901 -1.233 1.00 0.00 C ATOM 1035 C ALA A 68 -3.287 14.477 0.234 1.00 0.00 C ATOM 1036 O ALA A 68 -3.603 15.291 1.100 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.498 14.657 -1.995 1.00 0.00 C ATOM 0 H ALA A 68 -2.369 13.713 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.998 15.973 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.308 15.204 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.389 15.002 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.727 13.591 -1.992 1.00 0.00 H new ATOM 1043 N LEU A 69 -3.005 13.203 0.467 1.00 0.00 N ATOM 1044 CA LEU A 69 -3.053 12.661 1.815 1.00 0.00 C ATOM 1045 C LEU A 69 -1.875 13.210 2.623 1.00 0.00 C ATOM 1046 O LEU A 69 -1.964 13.346 3.842 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.113 11.133 1.776 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.513 10.519 1.697 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.440 11.132 2.749 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.087 10.642 0.285 1.00 0.00 C ATOM 0 H LEU A 69 -2.743 12.531 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.964 12.980 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.538 10.788 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.618 10.747 2.667 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.433 9.455 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.428 10.679 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.033 10.948 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.520 12.206 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.082 10.198 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.151 11.694 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.437 10.121 -0.418 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.799 13.511 1.911 1.00 0.00 N ATOM 1063 CA LYS A 70 0.395 14.041 2.546 1.00 0.00 C ATOM 1064 C LYS A 70 0.769 13.156 3.737 1.00 0.00 C ATOM 1065 O LYS A 70 0.787 13.618 4.877 1.00 0.00 O ATOM 1066 CB LYS A 70 0.198 15.514 2.912 1.00 0.00 C ATOM 1067 CG LYS A 70 0.882 16.428 1.894 1.00 0.00 C ATOM 1068 CD LYS A 70 2.404 16.344 2.017 1.00 0.00 C ATOM 1069 CE LYS A 70 2.977 17.626 2.625 1.00 0.00 C ATOM 1070 NZ LYS A 70 4.424 17.736 2.334 1.00 0.00 N ATOM 0 H LYS A 70 -0.729 13.398 0.900 1.00 0.00 H new ATOM 0 HA LYS A 70 1.237 14.018 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.867 15.743 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.604 15.703 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.579 16.146 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.557 17.457 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.676 15.490 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.843 16.176 1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.452 18.492 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.816 17.628 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.797 18.611 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.923 16.918 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.571 17.756 1.305 1.00 0.00 H new ATOM 1084 N LEU A 71 1.060 11.900 3.432 1.00 0.00 N ATOM 1085 CA LEU A 71 1.433 10.947 4.463 1.00 0.00 C ATOM 1086 C LEU A 71 2.912 11.130 4.809 1.00 0.00 C ATOM 1087 O LEU A 71 3.610 11.917 4.172 1.00 0.00 O ATOM 1088 CB LEU A 71 1.074 9.524 4.032 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.384 9.293 3.629 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.474 8.499 2.325 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.166 8.624 4.762 1.00 0.00 C ATOM 0 H LEU A 71 1.045 11.520 2.485 1.00 0.00 H new ATOM 0 HA LEU A 71 0.866 11.131 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.711 9.249 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.316 8.846 4.850 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.846 10.264 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.521 8.349 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.025 9.050 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.010 7.531 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.199 8.471 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.712 7.662 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.144 9.262 5.645 1.00 0.00 H new ATOM 1103 N LYS A 72 3.347 10.389 5.818 1.00 0.00 N ATOM 1104 CA LYS A 72 4.730 10.459 6.256 1.00 0.00 C ATOM 1105 C LYS A 72 5.610 9.674 5.282 1.00 0.00 C ATOM 1106 O LYS A 72 5.124 8.800 4.567 1.00 0.00 O ATOM 1107 CB LYS A 72 4.856 9.996 7.709 1.00 0.00 C ATOM 1108 CG LYS A 72 4.078 10.919 8.649 1.00 0.00 C ATOM 1109 CD LYS A 72 4.764 12.282 8.769 1.00 0.00 C ATOM 1110 CE LYS A 72 5.002 12.648 10.235 1.00 0.00 C ATOM 1111 NZ LYS A 72 3.717 12.927 10.915 1.00 0.00 N ATOM 0 H LYS A 72 2.765 9.737 6.345 1.00 0.00 H new ATOM 0 HA LYS A 72 5.082 11.491 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.482 8.977 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.907 9.978 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.062 11.051 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.000 10.459 9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.715 12.263 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.148 13.046 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.518 11.832 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.650 13.522 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.897 13.174 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.239 13.721 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.111 12.083 10.872 1.00 0.00 H new ATOM 1125 N PRO A 73 6.925 10.024 5.285 1.00 0.00 N ATOM 1126 CA PRO A 73 7.877 9.362 4.410 1.00 0.00 C ATOM 1127 C PRO A 73 8.213 7.961 4.925 1.00 0.00 C ATOM 1128 O PRO A 73 8.143 7.704 6.126 1.00 0.00 O ATOM 1129 CB PRO A 73 9.084 10.285 4.371 1.00 0.00 C ATOM 1130 CG PRO A 73 8.952 11.194 5.582 1.00 0.00 C ATOM 1131 CD PRO A 73 7.537 11.055 6.118 1.00 0.00 C ATOM 0 HA PRO A 73 7.483 9.200 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.013 9.716 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.103 10.864 3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.678 10.919 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.156 12.229 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.538 10.766 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.992 11.996 6.047 1.00 0.00 H new ATOM 1139 N ASN A 74 8.571 7.091 3.991 1.00 0.00 N ATOM 1140 CA ASN A 74 8.918 5.723 4.336 1.00 0.00 C ATOM 1141 C ASN A 74 7.930 5.199 5.380 1.00 0.00 C ATOM 1142 O ASN A 74 8.332 4.582 6.365 1.00 0.00 O ATOM 1143 CB ASN A 74 10.324 5.646 4.934 1.00 0.00 C ATOM 1144 CG ASN A 74 10.586 6.825 5.873 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.855 7.939 5.452 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.493 6.520 7.164 1.00 0.00 N ATOM 0 H ASN A 74 8.628 7.307 2.996 1.00 0.00 H new ATOM 0 HA ASN A 74 8.880 5.125 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.440 4.709 5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.064 5.643 4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.650 7.239 7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.264 5.567 7.448 1.00 0.00 H new ATOM 1153 N THR A 75 6.656 5.462 5.127 1.00 0.00 N ATOM 1154 CA THR A 75 5.608 5.024 6.033 1.00 0.00 C ATOM 1155 C THR A 75 5.395 3.514 5.912 1.00 0.00 C ATOM 1156 O THR A 75 4.827 3.041 4.929 1.00 0.00 O ATOM 1157 CB THR A 75 4.350 5.841 5.731 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.600 7.104 6.343 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.116 5.310 6.463 1.00 0.00 C ATOM 0 H THR A 75 6.326 5.973 4.308 1.00 0.00 H new ATOM 0 HA THR A 75 5.885 5.199 7.072 1.00 0.00 H new ATOM 0 HB THR A 75 4.164 5.836 4.657 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.413 7.821 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.252 5.926 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.928 4.280 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.288 5.345 7.539 1.00 0.00 H new ATOM 1167 N LYS A 76 5.862 2.800 6.926 1.00 0.00 N ATOM 1168 CA LYS A 76 5.730 1.353 6.945 1.00 0.00 C ATOM 1169 C LYS A 76 4.272 0.982 7.225 1.00 0.00 C ATOM 1170 O LYS A 76 3.829 1.016 8.372 1.00 0.00 O ATOM 1171 CB LYS A 76 6.722 0.738 7.934 1.00 0.00 C ATOM 1172 CG LYS A 76 8.162 1.096 7.562 1.00 0.00 C ATOM 1173 CD LYS A 76 9.066 1.086 8.795 1.00 0.00 C ATOM 1174 CE LYS A 76 9.678 -0.299 9.016 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.514 -0.308 10.237 1.00 0.00 N ATOM 0 H LYS A 76 6.332 3.196 7.740 1.00 0.00 H new ATOM 0 HA LYS A 76 5.985 0.934 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.504 1.093 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.605 -0.346 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.538 0.386 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.187 2.081 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.860 1.823 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.491 1.378 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.886 -1.043 9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.282 -0.578 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.921 -1.255 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.281 0.388 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.928 -0.063 11.061 1.00 0.00 H new ATOM 1189 N ILE A 77 3.568 0.637 6.158 1.00 0.00 N ATOM 1190 CA ILE A 77 2.169 0.260 6.274 1.00 0.00 C ATOM 1191 C ILE A 77 2.068 -1.253 6.475 1.00 0.00 C ATOM 1192 O ILE A 77 3.060 -1.969 6.340 1.00 0.00 O ATOM 1193 CB ILE A 77 1.374 0.775 5.073 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.702 -0.028 3.813 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.596 2.275 4.870 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.013 -1.394 3.838 1.00 0.00 C ATOM 0 H ILE A 77 3.940 0.610 5.208 1.00 0.00 H new ATOM 0 HA ILE A 77 1.720 0.729 7.149 1.00 0.00 H new ATOM 0 HB ILE A 77 0.313 0.632 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.384 0.527 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.781 -0.162 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.019 2.615 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.272 2.814 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.655 2.466 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.263 -1.944 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.351 -1.956 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.067 -1.256 3.893 1.00 0.00 H new ATOM 1208 N MET A 78 0.861 -1.697 6.795 1.00 0.00 N ATOM 1209 CA MET A 78 0.618 -3.112 7.016 1.00 0.00 C ATOM 1210 C MET A 78 -0.184 -3.717 5.862 1.00 0.00 C ATOM 1211 O MET A 78 -1.064 -3.064 5.303 1.00 0.00 O ATOM 1212 CB MET A 78 -0.150 -3.300 8.325 1.00 0.00 C ATOM 1213 CG MET A 78 0.486 -4.396 9.182 1.00 0.00 C ATOM 1214 SD MET A 78 0.359 -3.971 10.911 1.00 0.00 S ATOM 1215 CE MET A 78 1.293 -5.312 11.630 1.00 0.00 C ATOM 0 H MET A 78 0.041 -1.101 6.906 1.00 0.00 H new ATOM 0 HA MET A 78 1.580 -3.622 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.164 -2.362 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.187 -3.558 8.109 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.010 -5.348 8.996 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.533 -4.523 8.906 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.314 -5.200 12.714 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.824 -6.261 11.372 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.312 -5.294 11.244 1.00 0.00 H new ATOM 1225 N MET A 79 0.148 -4.959 5.540 1.00 0.00 N ATOM 1226 CA MET A 79 -0.531 -5.659 4.463 1.00 0.00 C ATOM 1227 C MET A 79 -1.116 -6.985 4.954 1.00 0.00 C ATOM 1228 O MET A 79 -0.393 -7.829 5.483 1.00 0.00 O ATOM 1229 CB MET A 79 0.457 -5.927 3.325 1.00 0.00 C ATOM 1230 CG MET A 79 -0.272 -6.066 1.988 1.00 0.00 C ATOM 1231 SD MET A 79 0.853 -6.669 0.739 1.00 0.00 S ATOM 1232 CE MET A 79 0.288 -8.357 0.602 1.00 0.00 C ATOM 0 H MET A 79 0.878 -5.498 6.006 1.00 0.00 H new ATOM 0 HA MET A 79 -1.349 -5.032 4.106 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.179 -5.113 3.266 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.019 -6.837 3.533 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.113 -6.751 2.093 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.681 -5.102 1.686 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.101 -8.984 0.235 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.032 -8.714 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.550 -8.405 -0.094 1.00 0.00 H new ATOM 1242 N MET A 80 -2.419 -7.128 4.762 1.00 0.00 N ATOM 1243 CA MET A 80 -3.109 -8.337 5.179 1.00 0.00 C ATOM 1244 C MET A 80 -3.888 -8.952 4.015 1.00 0.00 C ATOM 1245 O MET A 80 -4.565 -8.243 3.272 1.00 0.00 O ATOM 1246 CB MET A 80 -4.072 -8.007 6.321 1.00 0.00 C ATOM 1247 CG MET A 80 -3.424 -8.276 7.680 1.00 0.00 C ATOM 1248 SD MET A 80 -4.302 -9.578 8.528 1.00 0.00 S ATOM 1249 CE MET A 80 -5.691 -8.653 9.161 1.00 0.00 C ATOM 0 H MET A 80 -3.015 -6.426 4.323 1.00 0.00 H new ATOM 0 HA MET A 80 -2.366 -9.060 5.516 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.372 -6.961 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.978 -8.605 6.222 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.380 -8.558 7.545 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.433 -7.368 8.283 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.347 -9.319 9.722 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.332 -7.861 9.817 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.244 -8.214 8.331 1.00 0.00 H new ATOM 1259 N GLY A 81 -3.766 -10.266 3.892 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.451 -10.985 2.831 1.00 0.00 C ATOM 1261 C GLY A 81 -3.673 -12.239 2.428 1.00 0.00 C ATOM 1262 O GLY A 81 -2.705 -12.613 3.089 1.00 0.00 O ATOM 0 H GLY A 81 -3.203 -10.851 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.451 -11.264 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.572 -10.334 1.965 1.00 0.00 H new ATOM 1266 N THR A 82 -4.125 -12.855 1.345 1.00 0.00 N ATOM 1267 CA THR A 82 -3.483 -14.059 0.846 1.00 0.00 C ATOM 1268 C THR A 82 -3.526 -14.092 -0.683 1.00 0.00 C ATOM 1269 O THR A 82 -4.312 -13.376 -1.301 1.00 0.00 O ATOM 1270 CB THR A 82 -4.165 -15.263 1.499 1.00 0.00 C ATOM 1271 OG1 THR A 82 -5.544 -15.097 1.181 1.00 0.00 O ATOM 1272 CG2 THR A 82 -4.125 -15.201 3.028 1.00 0.00 C ATOM 0 H THR A 82 -4.928 -12.543 0.799 1.00 0.00 H new ATOM 0 HA THR A 82 -2.426 -14.082 1.111 1.00 0.00 H new ATOM 0 HB THR A 82 -3.683 -16.180 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.060 -15.837 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.622 -16.079 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.088 -15.180 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.636 -14.301 3.369 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.671 -14.931 -1.249 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.601 -15.066 -2.694 1.00 0.00 C ATOM 1282 C ARG A 83 -3.336 -16.330 -3.144 1.00 0.00 C ATOM 1283 O ARG A 83 -3.587 -17.227 -2.340 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.149 -15.132 -3.171 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.504 -16.465 -2.785 1.00 0.00 C ATOM 1286 CD ARG A 83 1.019 -16.395 -2.911 1.00 0.00 C ATOM 1287 NE ARG A 83 1.639 -17.527 -2.189 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.647 -18.790 -2.636 1.00 0.00 C ATOM 1289 NH1 ARG A 83 1.068 -19.090 -3.807 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.234 -19.753 -1.913 1.00 0.00 N ATOM 0 H ARG A 83 -2.021 -15.524 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.076 -14.189 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.112 -15.006 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.582 -14.310 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.776 -16.722 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.889 -17.258 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.307 -16.422 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.383 -15.451 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 83 2.089 -17.334 -1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.621 -18.357 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.074 -20.052 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.675 -19.525 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.240 -20.714 -2.253 1.00 0.00 H new