USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 587 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 27 GLN : amide:sc= -0.281 K(o=-2.3,f=-6.9!) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.06! C(o=-2.3!,f=-6.4!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -108:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 TRP N :NH3+ -132:sc= 0.815 (180deg=-0.672!) USER MOD Single : A 5 CYS SG : rot -100:sc= -1.42 USER MOD Single : A 12 HIS : no HE2:sc= -0.46 X(o=-0.46,f=-0.83) USER MOD Single : A 15 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0774 USER MOD Single : A 19 SER OG : rot -160:sc= -0.84 USER MOD Single : A 21 THR OG1 : rot -110:sc= 0.467 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.295 F(o=-1.7,f=-0.29) USER MOD Single : A 34 THR OG1 : rot -32:sc= 0.56 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 166:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -39:sc= 0.385 USER MOD Single : A 60 THR OG1 : rot -20:sc= 0.328 USER MOD Single : A 67 GLN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 68 SER OG : rot 43:sc= 0.139 USER MOD Single : A 71 MET CE :methyl -168:sc= -0.663 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.663 0.288 -0.445 1.00 0.00 N ATOM 2 CA TRP A 1 2.456 0.207 -1.696 1.00 0.00 C ATOM 3 C TRP A 1 3.904 -0.163 -1.351 1.00 0.00 C ATOM 4 O TRP A 1 4.644 0.649 -0.787 1.00 0.00 O ATOM 5 CB TRP A 1 2.414 1.550 -2.484 1.00 0.00 C ATOM 6 CG TRP A 1 1.054 1.975 -3.002 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.177 1.556 -2.580 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.807 2.941 -4.031 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.158 2.173 -3.301 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.582 3.030 -4.196 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.633 3.725 -4.837 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.169 3.882 -5.126 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.052 4.571 -5.761 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.339 4.644 -5.900 1.00 0.00 C ATOM 0 H1 TRP A 1 0.777 -0.245 -0.560 1.00 0.00 H new ATOM 0 H2 TRP A 1 2.211 -0.117 0.340 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.444 1.283 -0.237 1.00 0.00 H new ATOM 0 HA TRP A 1 2.021 -0.561 -2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.797 2.340 -1.838 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.095 1.473 -3.331 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.349 0.840 -1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.160 2.019 -3.190 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.707 3.671 -4.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.242 3.939 -5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.681 5.187 -6.387 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.764 5.315 -6.632 1.00 0.00 H new ATOM 27 N ARG A 2 4.286 -1.411 -1.666 1.00 0.00 N ATOM 28 CA ARG A 2 5.643 -1.930 -1.447 1.00 0.00 C ATOM 29 C ARG A 2 6.524 -1.581 -2.662 1.00 0.00 C ATOM 30 O ARG A 2 6.633 -2.358 -3.610 1.00 0.00 O ATOM 31 CB ARG A 2 5.577 -3.456 -1.191 1.00 0.00 C ATOM 32 CG ARG A 2 4.832 -3.837 0.111 1.00 0.00 C ATOM 33 CD ARG A 2 4.821 -5.354 0.367 1.00 0.00 C ATOM 34 NE ARG A 2 4.126 -6.103 -0.697 1.00 0.00 N ATOM 35 CZ ARG A 2 4.260 -7.417 -0.945 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.090 -8.175 -0.239 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.551 -7.970 -1.916 1.00 0.00 N ATOM 0 H ARG A 2 3.654 -2.094 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 2 6.092 -1.468 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.083 -3.936 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.591 -3.852 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.304 -3.334 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.805 -3.474 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.847 -5.713 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.337 -5.554 1.323 1.00 0.00 H new ATOM 0 HE ARG A 2 3.489 -5.578 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.644 -7.762 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.174 -9.170 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.910 -7.400 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.645 -8.966 -2.112 1.00 0.00 H new ATOM 51 N VAL A 3 7.108 -0.375 -2.623 1.00 0.00 N ATOM 52 CA VAL A 3 7.816 0.240 -3.763 1.00 0.00 C ATOM 53 C VAL A 3 9.344 0.064 -3.633 1.00 0.00 C ATOM 54 O VAL A 3 9.896 0.174 -2.540 1.00 0.00 O ATOM 55 CB VAL A 3 7.431 1.763 -3.849 1.00 0.00 C ATOM 56 CG1 VAL A 3 8.226 2.512 -4.943 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.905 1.917 -4.068 1.00 0.00 C ATOM 0 H VAL A 3 7.104 0.212 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 3 7.512 -0.261 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 3 7.701 2.223 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.923 3.559 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.292 2.447 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.024 2.059 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.651 2.975 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.619 1.424 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.370 1.460 -3.235 1.00 0.00 H new ATOM 67 N ARG A 4 10.015 -0.187 -4.776 1.00 0.00 N ATOM 68 CA ARG A 4 11.457 -0.479 -4.829 1.00 0.00 C ATOM 69 C ARG A 4 12.276 0.776 -5.213 1.00 0.00 C ATOM 70 O ARG A 4 12.404 1.107 -6.390 1.00 0.00 O ATOM 71 CB ARG A 4 11.714 -1.619 -5.849 1.00 0.00 C ATOM 72 CG ARG A 4 11.191 -2.998 -5.412 1.00 0.00 C ATOM 73 CD ARG A 4 11.521 -4.098 -6.432 1.00 0.00 C ATOM 74 NE ARG A 4 11.190 -5.435 -5.921 1.00 0.00 N ATOM 75 CZ ARG A 4 11.052 -6.540 -6.664 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.092 -6.480 -7.996 1.00 0.00 N ATOM 77 NH2 ARG A 4 10.866 -7.703 -6.059 1.00 0.00 N ATOM 0 H ARG A 4 9.566 -0.192 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 4 11.781 -0.792 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.248 -1.352 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.786 -1.692 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.625 -3.259 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.111 -2.947 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.970 -3.915 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.581 -4.056 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 4 11.054 -5.529 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.229 -5.583 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.985 -7.331 -8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.830 -7.748 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.759 -8.554 -6.611 1.00 0.00 H new ATOM 91 N CYS A 5 12.821 1.465 -4.202 1.00 0.00 N ATOM 92 CA CYS A 5 13.705 2.616 -4.391 1.00 0.00 C ATOM 93 C CYS A 5 15.142 2.150 -4.719 1.00 0.00 C ATOM 94 O CYS A 5 15.892 1.715 -3.834 1.00 0.00 O ATOM 95 CB CYS A 5 13.675 3.522 -3.137 1.00 0.00 C ATOM 96 SG CYS A 5 12.054 4.255 -2.827 1.00 0.00 S ATOM 0 H CYS A 5 12.657 1.235 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 5 13.348 3.201 -5.238 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.974 2.937 -2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.410 4.318 -3.254 1.00 0.00 H new ATOM 0 HG CYS A 5 12.043 5.481 -3.258 1.00 0.00 H new ATOM 102 N LYS A 6 15.487 2.204 -6.014 1.00 0.00 N ATOM 103 CA LYS A 6 16.828 1.884 -6.523 1.00 0.00 C ATOM 104 C LYS A 6 17.777 3.062 -6.233 1.00 0.00 C ATOM 105 O LYS A 6 17.716 4.085 -6.910 1.00 0.00 O ATOM 106 CB LYS A 6 16.745 1.614 -8.057 1.00 0.00 C ATOM 107 CG LYS A 6 18.083 1.252 -8.778 1.00 0.00 C ATOM 108 CD LYS A 6 18.442 -0.263 -8.749 1.00 0.00 C ATOM 109 CE LYS A 6 18.910 -0.784 -7.383 1.00 0.00 C ATOM 110 NZ LYS A 6 19.244 -2.227 -7.427 1.00 0.00 N ATOM 0 H LYS A 6 14.832 2.475 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 6 17.213 0.992 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.039 0.800 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.329 2.500 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.021 1.578 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.894 1.814 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.569 -0.836 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.226 -0.451 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.784 -0.219 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.128 -0.615 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.513 -2.768 -6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.287 -2.543 -8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.167 -2.384 -6.973 1.00 0.00 H new ATOM 124 N ALA A 7 18.634 2.924 -5.221 1.00 0.00 N ATOM 125 CA ALA A 7 19.563 4.000 -4.809 1.00 0.00 C ATOM 126 C ALA A 7 20.966 3.442 -4.580 1.00 0.00 C ATOM 127 O ALA A 7 21.175 2.225 -4.613 1.00 0.00 O ATOM 128 CB ALA A 7 19.040 4.700 -3.540 1.00 0.00 C ATOM 0 H ALA A 7 18.711 2.074 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 7 19.619 4.736 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.733 5.489 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.060 5.133 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.956 3.973 -2.732 1.00 0.00 H new ATOM 170 N THR A 11 18.811 -1.848 -3.871 1.00 0.00 N ATOM 171 CA THR A 11 17.358 -1.583 -3.902 1.00 0.00 C ATOM 172 C THR A 11 16.833 -1.420 -2.462 1.00 0.00 C ATOM 173 O THR A 11 17.471 -1.884 -1.512 1.00 0.00 O ATOM 174 CB THR A 11 16.582 -2.741 -4.628 1.00 0.00 C ATOM 175 OG1 THR A 11 17.350 -3.243 -5.730 1.00 0.00 O ATOM 176 CG2 THR A 11 15.227 -2.266 -5.170 1.00 0.00 C ATOM 0 HA THR A 11 17.189 -0.663 -4.462 1.00 0.00 H new ATOM 0 HB THR A 11 16.418 -3.523 -3.887 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.855 -3.965 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.722 -3.096 -5.665 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.611 -1.906 -4.346 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.384 -1.459 -5.885 1.00 0.00 H new ATOM 184 N HIS A 12 15.685 -0.743 -2.298 1.00 0.00 N ATOM 185 CA HIS A 12 15.081 -0.488 -0.975 1.00 0.00 C ATOM 186 C HIS A 12 13.560 -0.679 -1.060 1.00 0.00 C ATOM 187 O HIS A 12 12.909 0.010 -1.824 1.00 0.00 O ATOM 188 CB HIS A 12 15.426 0.955 -0.515 1.00 0.00 C ATOM 189 CG HIS A 12 16.916 1.222 -0.426 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.625 1.902 -1.396 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.826 0.862 0.509 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.904 1.936 -1.066 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.049 1.309 0.078 1.00 0.00 N ATOM 0 H HIS A 12 15.149 -0.357 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 12 15.481 -1.192 -0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.978 1.666 -1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.974 1.135 0.460 1.00 0.00 H new ATOM 0 HD1 HIS A 12 17.223 2.315 -2.238 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.626 0.323 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.694 2.400 -1.639 1.00 0.00 H new ATOM 202 N LEU A 13 13.005 -1.609 -0.281 1.00 0.00 N ATOM 203 CA LEU A 13 11.561 -1.940 -0.327 1.00 0.00 C ATOM 204 C LEU A 13 10.834 -1.152 0.788 1.00 0.00 C ATOM 205 O LEU A 13 10.871 -1.533 1.963 1.00 0.00 O ATOM 206 CB LEU A 13 11.382 -3.496 -0.210 1.00 0.00 C ATOM 207 CG LEU A 13 10.019 -4.125 -0.673 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.868 -3.819 0.294 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.664 -3.700 -2.115 1.00 0.00 C ATOM 0 H LEU A 13 13.532 -2.157 0.399 1.00 0.00 H new ATOM 0 HA LEU A 13 11.113 -1.644 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.178 -3.967 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.538 -3.771 0.833 1.00 0.00 H new ATOM 0 HG LEU A 13 10.158 -5.206 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.951 -4.278 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.104 -4.221 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.730 -2.740 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.715 -4.152 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.578 -2.614 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.447 -4.033 -2.796 1.00 0.00 H new ATOM 221 N LEU A 14 10.214 -0.018 0.406 1.00 0.00 N ATOM 222 CA LEU A 14 9.510 0.885 1.346 1.00 0.00 C ATOM 223 C LEU A 14 8.070 0.407 1.614 1.00 0.00 C ATOM 224 O LEU A 14 7.386 -0.075 0.708 1.00 0.00 O ATOM 225 CB LEU A 14 9.488 2.358 0.815 1.00 0.00 C ATOM 226 CG LEU A 14 10.805 3.184 0.972 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.980 2.591 0.166 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.574 4.668 0.605 1.00 0.00 C ATOM 0 H LEU A 14 10.186 0.300 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 14 10.065 0.861 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.226 2.334 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.689 2.892 1.329 1.00 0.00 H new ATOM 0 HG LEU A 14 11.087 3.127 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.868 3.205 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.180 1.576 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.722 2.573 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.506 5.221 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.238 4.739 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.815 5.092 1.263 1.00 0.00 H new ATOM 240 N GLN A 15 7.636 0.556 2.880 1.00 0.00 N ATOM 241 CA GLN A 15 6.256 0.278 3.324 1.00 0.00 C ATOM 242 C GLN A 15 5.580 1.599 3.737 1.00 0.00 C ATOM 243 O GLN A 15 6.203 2.668 3.693 1.00 0.00 O ATOM 244 CB GLN A 15 6.224 -0.719 4.527 1.00 0.00 C ATOM 245 CG GLN A 15 6.839 -2.114 4.271 1.00 0.00 C ATOM 246 CD GLN A 15 8.366 -2.112 4.172 1.00 0.00 C ATOM 247 OE1 GLN A 15 9.049 -1.299 4.795 1.00 0.00 O ATOM 248 NE2 GLN A 15 8.910 -3.032 3.412 1.00 0.00 N ATOM 0 H GLN A 15 8.243 0.878 3.634 1.00 0.00 H new ATOM 0 HA GLN A 15 5.720 -0.182 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.749 -0.261 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.187 -0.853 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.538 -2.786 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.426 -2.518 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.318 -3.692 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.925 -3.087 3.325 1.00 0.00 H new ATOM 257 N GLY A 16 4.299 1.507 4.157 1.00 0.00 N ATOM 258 CA GLY A 16 3.543 2.656 4.672 1.00 0.00 C ATOM 259 C GLY A 16 3.244 3.708 3.613 1.00 0.00 C ATOM 260 O GLY A 16 3.112 4.897 3.925 1.00 0.00 O ATOM 0 H GLY A 16 3.768 0.636 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.604 2.302 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.106 3.118 5.483 1.00 0.00 H new ATOM 264 N LEU A 17 3.136 3.269 2.348 1.00 0.00 N ATOM 265 CA LEU A 17 2.878 4.156 1.206 1.00 0.00 C ATOM 266 C LEU A 17 1.430 4.001 0.712 1.00 0.00 C ATOM 267 O LEU A 17 1.034 2.939 0.234 1.00 0.00 O ATOM 268 CB LEU A 17 3.880 3.862 0.064 1.00 0.00 C ATOM 269 CG LEU A 17 5.389 4.058 0.422 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.307 3.677 -0.760 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.648 5.505 0.878 1.00 0.00 C ATOM 0 H LEU A 17 3.226 2.286 2.090 1.00 0.00 H new ATOM 0 HA LEU A 17 3.015 5.187 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.734 2.834 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.639 4.506 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 17 5.628 3.387 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.348 3.826 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.148 2.631 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.073 4.305 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.703 5.626 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.381 6.193 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.043 5.723 1.758 1.00 0.00 H new ATOM 283 N SER A 18 0.660 5.069 0.877 1.00 0.00 N ATOM 284 CA SER A 18 -0.705 5.211 0.335 1.00 0.00 C ATOM 285 C SER A 18 -0.635 5.971 -0.999 1.00 0.00 C ATOM 286 O SER A 18 0.417 6.500 -1.364 1.00 0.00 O ATOM 287 CB SER A 18 -1.597 5.973 1.354 1.00 0.00 C ATOM 288 OG SER A 18 -2.939 6.114 0.897 1.00 0.00 O ATOM 0 H SER A 18 0.966 5.887 1.404 1.00 0.00 H new ATOM 0 HA SER A 18 -1.144 4.228 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.593 5.441 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.173 6.960 1.539 1.00 0.00 H new ATOM 0 HG SER A 18 -3.464 6.597 1.569 1.00 0.00 H new ATOM 294 N SER A 19 -1.761 6.049 -1.712 1.00 0.00 N ATOM 295 CA SER A 19 -1.840 6.782 -2.985 1.00 0.00 C ATOM 296 C SER A 19 -1.672 8.305 -2.782 1.00 0.00 C ATOM 297 O SER A 19 -1.254 9.018 -3.702 1.00 0.00 O ATOM 298 CB SER A 19 -3.169 6.452 -3.678 1.00 0.00 C ATOM 299 OG SER A 19 -4.269 6.672 -2.819 1.00 0.00 O ATOM 0 H SER A 19 -2.638 5.611 -1.430 1.00 0.00 H new ATOM 0 HA SER A 19 -1.016 6.463 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.276 7.065 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.162 5.412 -4.004 1.00 0.00 H new ATOM 0 HG SER A 19 -5.046 6.172 -3.147 1.00 0.00 H new ATOM 305 N ARG A 20 -1.985 8.796 -1.559 1.00 0.00 N ATOM 306 CA ARG A 20 -1.847 10.228 -1.210 1.00 0.00 C ATOM 307 C ARG A 20 -0.579 10.494 -0.371 1.00 0.00 C ATOM 308 O ARG A 20 -0.496 11.517 0.325 1.00 0.00 O ATOM 309 CB ARG A 20 -3.106 10.774 -0.460 1.00 0.00 C ATOM 310 CG ARG A 20 -4.417 10.867 -1.287 1.00 0.00 C ATOM 311 CD ARG A 20 -5.092 9.511 -1.546 1.00 0.00 C ATOM 312 NE ARG A 20 -5.431 8.815 -0.291 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.112 7.671 -0.195 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.549 7.037 -1.270 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.353 7.158 0.992 1.00 0.00 N ATOM 0 H ARG A 20 -2.336 8.218 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.755 10.763 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.292 10.136 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.872 11.768 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.119 11.516 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.198 11.340 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.998 9.663 -2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.429 8.883 -2.141 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.118 9.245 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.368 7.421 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.067 6.164 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.020 7.634 1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.873 6.284 1.074 1.00 0.00 H new ATOM 329 N THR A 21 0.411 9.593 -0.454 1.00 0.00 N ATOM 330 CA THR A 21 1.733 9.827 0.136 1.00 0.00 C ATOM 331 C THR A 21 2.434 10.989 -0.610 1.00 0.00 C ATOM 332 O THR A 21 2.786 10.871 -1.787 1.00 0.00 O ATOM 333 CB THR A 21 2.583 8.526 0.101 1.00 0.00 C ATOM 334 OG1 THR A 21 1.975 7.538 0.932 1.00 0.00 O ATOM 335 CG2 THR A 21 4.024 8.731 0.558 1.00 0.00 C ATOM 0 H THR A 21 0.318 8.694 -0.926 1.00 0.00 H new ATOM 0 HA THR A 21 1.620 10.111 1.182 1.00 0.00 H new ATOM 0 HB THR A 21 2.616 8.205 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.530 7.391 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.560 7.783 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.512 9.458 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.031 9.099 1.584 1.00 0.00 H new ATOM 343 N ARG A 22 2.583 12.115 0.104 1.00 0.00 N ATOM 344 CA ARG A 22 3.102 13.385 -0.444 1.00 0.00 C ATOM 345 C ARG A 22 4.625 13.333 -0.677 1.00 0.00 C ATOM 346 O ARG A 22 5.253 12.304 -0.450 1.00 0.00 O ATOM 347 CB ARG A 22 2.721 14.533 0.530 1.00 0.00 C ATOM 348 CG ARG A 22 1.202 14.589 0.839 1.00 0.00 C ATOM 349 CD ARG A 22 0.826 15.616 1.918 1.00 0.00 C ATOM 350 NE ARG A 22 -0.636 15.678 2.134 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.482 16.515 1.505 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.033 17.363 0.586 1.00 0.00 N ATOM 353 NH2 ARG A 22 -2.775 16.493 1.802 1.00 0.00 N ATOM 0 H ARG A 22 2.344 12.173 1.094 1.00 0.00 H new ATOM 0 HA ARG A 22 2.651 13.563 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.271 14.408 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.034 15.485 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.663 14.826 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.869 13.602 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.321 15.357 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.192 16.600 1.626 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.036 15.033 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.040 17.383 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.681 17.994 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.126 15.843 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.418 17.126 1.327 1.00 0.00 H new ATOM 367 N LEU A 23 5.198 14.457 -1.149 1.00 0.00 N ATOM 368 CA LEU A 23 6.665 14.629 -1.325 1.00 0.00 C ATOM 369 C LEU A 23 7.370 14.381 0.021 1.00 0.00 C ATOM 370 O LEU A 23 8.263 13.534 0.128 1.00 0.00 O ATOM 371 CB LEU A 23 6.953 16.067 -1.884 1.00 0.00 C ATOM 372 CG LEU A 23 8.441 16.461 -2.262 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.459 17.727 -3.136 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.352 16.701 -1.029 1.00 0.00 C ATOM 0 H LEU A 23 4.659 15.279 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 23 7.054 13.907 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.340 16.202 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.601 16.785 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 23 8.840 15.606 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.489 17.982 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.898 17.544 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.003 18.553 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.355 16.967 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.943 17.513 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.399 15.792 -0.429 1.00 0.00 H new ATOM 386 N ARG A 24 6.911 15.118 1.049 1.00 0.00 N ATOM 387 CA ARG A 24 7.494 15.079 2.411 1.00 0.00 C ATOM 388 C ARG A 24 7.354 13.689 3.071 1.00 0.00 C ATOM 389 O ARG A 24 8.086 13.362 4.006 1.00 0.00 O ATOM 390 CB ARG A 24 6.812 16.142 3.307 1.00 0.00 C ATOM 391 CG ARG A 24 5.329 15.825 3.634 1.00 0.00 C ATOM 392 CD ARG A 24 4.722 16.749 4.700 1.00 0.00 C ATOM 393 NE ARG A 24 3.400 16.266 5.156 1.00 0.00 N ATOM 394 CZ ARG A 24 2.478 17.005 5.790 1.00 0.00 C ATOM 395 NH1 ARG A 24 2.677 18.302 6.016 1.00 0.00 N ATOM 396 NH2 ARG A 24 1.352 16.440 6.194 1.00 0.00 N ATOM 0 H ARG A 24 6.123 15.760 0.963 1.00 0.00 H new ATOM 0 HA ARG A 24 8.558 15.294 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.369 16.230 4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.866 17.111 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.740 15.903 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.254 14.792 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.399 16.815 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.621 17.756 4.294 1.00 0.00 H new ATOM 0 HE ARG A 24 3.171 15.289 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.541 18.747 5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.966 18.850 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.189 15.448 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.647 16.997 6.677 1.00 0.00 H new ATOM 410 N GLU A 25 6.385 12.900 2.585 1.00 0.00 N ATOM 411 CA GLU A 25 6.096 11.570 3.112 1.00 0.00 C ATOM 412 C GLU A 25 6.989 10.525 2.405 1.00 0.00 C ATOM 413 O GLU A 25 7.713 9.789 3.054 1.00 0.00 O ATOM 414 CB GLU A 25 4.597 11.251 2.896 1.00 0.00 C ATOM 415 CG GLU A 25 3.602 12.284 3.472 1.00 0.00 C ATOM 416 CD GLU A 25 3.596 12.358 5.005 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.063 11.429 5.641 1.00 0.00 O ATOM 418 OE2 GLU A 25 4.124 13.337 5.585 1.00 0.00 O ATOM 0 H GLU A 25 5.780 13.174 1.811 1.00 0.00 H new ATOM 0 HA GLU A 25 6.311 11.538 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.415 11.157 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.383 10.280 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.844 13.269 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.598 12.038 3.126 1.00 0.00 H new ATOM 425 N LEU A 26 6.955 10.520 1.055 1.00 0.00 N ATOM 426 CA LEU A 26 7.673 9.543 0.209 1.00 0.00 C ATOM 427 C LEU A 26 9.179 9.805 0.262 1.00 0.00 C ATOM 428 O LEU A 26 9.937 8.986 0.795 1.00 0.00 O ATOM 429 CB LEU A 26 7.109 9.597 -1.256 1.00 0.00 C ATOM 430 CG LEU A 26 7.660 8.566 -2.323 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.925 9.068 -3.036 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.885 7.167 -1.712 1.00 0.00 C ATOM 0 H LEU A 26 6.422 11.202 0.516 1.00 0.00 H new ATOM 0 HA LEU A 26 7.510 8.534 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.028 9.467 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.289 10.600 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 26 6.883 8.476 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.258 8.320 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.704 10.000 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.712 9.240 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.263 6.491 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.609 7.237 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.941 6.783 -1.324 1.00 0.00 H new ATOM 444 N GLN A 27 9.594 10.970 -0.267 1.00 0.00 N ATOM 445 CA GLN A 27 11.012 11.373 -0.287 1.00 0.00 C ATOM 446 C GLN A 27 11.529 11.643 1.146 1.00 0.00 C ATOM 447 O GLN A 27 12.741 11.658 1.381 1.00 0.00 O ATOM 448 CB GLN A 27 11.233 12.607 -1.199 1.00 0.00 C ATOM 449 CG GLN A 27 10.798 12.427 -2.674 1.00 0.00 C ATOM 450 CD GLN A 27 11.345 13.525 -3.600 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.742 14.579 -3.760 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.482 13.271 -4.233 1.00 0.00 N ATOM 0 H GLN A 27 8.964 11.652 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 27 11.587 10.546 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.688 13.452 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.291 12.868 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.139 11.455 -3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.709 12.423 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.963 12.385 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.875 13.962 -4.872 1.00 0.00 H new ATOM 461 N GLY A 28 10.581 11.828 2.087 1.00 0.00 N ATOM 462 CA GLY A 28 10.890 11.930 3.512 1.00 0.00 C ATOM 463 C GLY A 28 11.267 10.586 4.126 1.00 0.00 C ATOM 464 O GLY A 28 12.164 10.520 4.974 1.00 0.00 O ATOM 0 H GLY A 28 9.587 11.909 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.711 12.633 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.027 12.337 4.039 1.00 0.00 H new ATOM 468 N GLN A 29 10.590 9.496 3.684 1.00 0.00 N ATOM 469 CA GLN A 29 10.950 8.124 4.101 1.00 0.00 C ATOM 470 C GLN A 29 12.296 7.747 3.491 1.00 0.00 C ATOM 471 O GLN A 29 13.101 7.131 4.148 1.00 0.00 O ATOM 472 CB GLN A 29 9.893 7.054 3.703 1.00 0.00 C ATOM 473 CG GLN A 29 8.555 7.119 4.472 1.00 0.00 C ATOM 474 CD GLN A 29 7.675 5.869 4.307 1.00 0.00 C ATOM 475 OE1 GLN A 29 7.804 5.161 3.188 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.887 5.530 5.191 1.00 0.00 N flip ATOM 0 H GLN A 29 9.798 9.543 3.043 1.00 0.00 H new ATOM 0 HA GLN A 29 10.997 8.132 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.684 7.154 2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.329 6.066 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.764 7.266 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.996 7.991 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.804 6.087 6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.318 4.692 5.073 1.00 0.00 H new ATOM 485 N ILE A 30 12.519 8.149 2.230 1.00 0.00 N ATOM 486 CA ILE A 30 13.785 7.920 1.500 1.00 0.00 C ATOM 487 C ILE A 30 14.985 8.582 2.234 1.00 0.00 C ATOM 488 O ILE A 30 16.087 8.012 2.297 1.00 0.00 O ATOM 489 CB ILE A 30 13.647 8.467 0.032 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.567 7.652 -0.760 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.993 8.479 -0.716 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.272 8.173 -2.155 1.00 0.00 C ATOM 0 H ILE A 30 11.821 8.648 1.679 1.00 0.00 H new ATOM 0 HA ILE A 30 13.983 6.849 1.463 1.00 0.00 H new ATOM 0 HB ILE A 30 13.318 9.504 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.898 6.616 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.641 7.649 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.845 8.865 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.699 9.116 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.388 7.465 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.514 7.546 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.907 9.198 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.183 8.149 -2.753 1.00 0.00 H new ATOM 504 N ALA A 31 14.725 9.768 2.816 1.00 0.00 N ATOM 505 CA ALA A 31 15.687 10.506 3.670 1.00 0.00 C ATOM 506 C ALA A 31 16.092 9.692 4.919 1.00 0.00 C ATOM 507 O ALA A 31 17.155 9.924 5.505 1.00 0.00 O ATOM 508 CB ALA A 31 15.094 11.874 4.056 1.00 0.00 C ATOM 0 H ALA A 31 13.832 10.250 2.708 1.00 0.00 H new ATOM 0 HA ALA A 31 16.601 10.667 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.803 12.414 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.895 12.452 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.164 11.726 4.605 1.00 0.00 H new ATOM 514 N ALA A 32 15.224 8.756 5.322 1.00 0.00 N ATOM 515 CA ALA A 32 15.481 7.833 6.445 1.00 0.00 C ATOM 516 C ALA A 32 16.091 6.496 5.948 1.00 0.00 C ATOM 517 O ALA A 32 17.049 5.987 6.537 1.00 0.00 O ATOM 518 CB ALA A 32 14.173 7.590 7.218 1.00 0.00 C ATOM 0 H ALA A 32 14.317 8.613 4.878 1.00 0.00 H new ATOM 0 HA ALA A 32 16.211 8.289 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.362 6.908 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.798 8.537 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.432 7.152 6.550 1.00 0.00 H new ATOM 524 N ILE A 33 15.535 5.957 4.839 1.00 0.00 N ATOM 525 CA ILE A 33 15.863 4.614 4.307 1.00 0.00 C ATOM 526 C ILE A 33 17.308 4.593 3.764 1.00 0.00 C ATOM 527 O ILE A 33 18.177 3.881 4.282 1.00 0.00 O ATOM 528 CB ILE A 33 14.863 4.188 3.145 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.375 4.088 3.632 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.304 2.860 2.482 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.036 2.866 4.470 1.00 0.00 C ATOM 0 H ILE A 33 14.837 6.449 4.281 1.00 0.00 H new ATOM 0 HA ILE A 33 15.765 3.904 5.128 1.00 0.00 H new ATOM 0 HB ILE A 33 14.906 4.983 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.142 4.980 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.724 4.098 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.600 2.596 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.300 2.979 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.323 2.068 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.984 2.899 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.229 1.963 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.652 2.859 5.369 1.00 0.00 H new ATOM 543 N THR A 34 17.546 5.405 2.724 1.00 0.00 N ATOM 544 CA THR A 34 18.839 5.470 2.016 1.00 0.00 C ATOM 545 C THR A 34 19.564 6.794 2.312 1.00 0.00 C ATOM 546 O THR A 34 20.656 7.043 1.793 1.00 0.00 O ATOM 547 CB THR A 34 18.628 5.245 0.479 1.00 0.00 C ATOM 548 OG1 THR A 34 19.876 5.304 -0.236 1.00 0.00 O ATOM 549 CG2 THR A 34 17.633 6.245 -0.120 1.00 0.00 C ATOM 0 H THR A 34 16.844 6.041 2.346 1.00 0.00 H new ATOM 0 HA THR A 34 19.481 4.669 2.383 1.00 0.00 H new ATOM 0 HB THR A 34 18.207 4.246 0.368 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.477 5.938 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.519 6.050 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.667 6.137 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.004 7.259 0.026 1.00 0.00 H new ATOM 557 N GLY A 35 18.942 7.643 3.153 1.00 0.00 N ATOM 558 CA GLY A 35 19.594 8.844 3.680 1.00 0.00 C ATOM 559 C GLY A 35 19.603 10.030 2.722 1.00 0.00 C ATOM 560 O GLY A 35 20.168 11.078 3.051 1.00 0.00 O ATOM 0 H GLY A 35 17.984 7.513 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.092 9.141 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.623 8.598 3.943 1.00 0.00 H new ATOM 564 N ILE A 36 18.987 9.879 1.534 1.00 0.00 N ATOM 565 CA ILE A 36 18.963 10.947 0.528 1.00 0.00 C ATOM 566 C ILE A 36 17.774 11.870 0.833 1.00 0.00 C ATOM 567 O ILE A 36 16.620 11.464 0.656 1.00 0.00 O ATOM 568 CB ILE A 36 18.830 10.404 -0.950 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.690 9.122 -1.205 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.195 11.516 -1.963 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.183 9.258 -0.961 1.00 0.00 C ATOM 0 H ILE A 36 18.501 9.028 1.252 1.00 0.00 H new ATOM 0 HA ILE A 36 19.913 11.478 0.586 1.00 0.00 H new ATOM 0 HB ILE A 36 17.789 10.113 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.310 8.322 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.539 8.807 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.099 11.129 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.521 12.363 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.222 11.840 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.674 8.308 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.590 10.028 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.358 9.536 0.078 1.00 0.00 H new ATOM 583 N ALA A 37 18.060 13.084 1.329 1.00 0.00 N ATOM 584 CA ALA A 37 17.026 14.099 1.617 1.00 0.00 C ATOM 585 C ALA A 37 16.335 14.553 0.315 1.00 0.00 C ATOM 586 O ALA A 37 16.997 14.577 -0.733 1.00 0.00 O ATOM 587 CB ALA A 37 17.647 15.290 2.367 1.00 0.00 C ATOM 0 H ALA A 37 19.009 13.392 1.542 1.00 0.00 H new ATOM 0 HA ALA A 37 16.264 13.656 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.876 16.032 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.079 14.944 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.427 15.740 1.753 1.00 0.00 H new ATOM 593 N PRO A 38 14.999 14.915 0.365 1.00 0.00 N ATOM 594 CA PRO A 38 14.169 15.226 -0.839 1.00 0.00 C ATOM 595 C PRO A 38 14.818 16.241 -1.815 1.00 0.00 C ATOM 596 O PRO A 38 14.673 16.118 -3.031 1.00 0.00 O ATOM 597 CB PRO A 38 12.841 15.779 -0.230 1.00 0.00 C ATOM 598 CG PRO A 38 13.164 16.085 1.201 1.00 0.00 C ATOM 599 CD PRO A 38 14.175 15.046 1.601 1.00 0.00 C ATOM 0 HA PRO A 38 14.033 14.343 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.507 16.672 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.038 15.046 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.569 17.091 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.273 16.031 1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.771 15.366 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.702 14.103 1.877 1.00 0.00 H new ATOM 607 N GLY A 39 15.584 17.197 -1.254 1.00 0.00 N ATOM 608 CA GLY A 39 16.257 18.239 -2.036 1.00 0.00 C ATOM 609 C GLY A 39 17.554 17.784 -2.725 1.00 0.00 C ATOM 610 O GLY A 39 18.332 18.626 -3.186 1.00 0.00 O ATOM 0 H GLY A 39 15.750 17.264 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.567 18.607 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.485 19.078 -1.379 1.00 0.00 H new ATOM 614 N SER A 40 17.789 16.468 -2.792 1.00 0.00 N ATOM 615 CA SER A 40 18.965 15.878 -3.459 1.00 0.00 C ATOM 616 C SER A 40 18.572 14.620 -4.255 1.00 0.00 C ATOM 617 O SER A 40 19.441 13.861 -4.678 1.00 0.00 O ATOM 618 CB SER A 40 20.047 15.553 -2.397 1.00 0.00 C ATOM 619 OG SER A 40 20.581 16.742 -1.829 1.00 0.00 O ATOM 0 H SER A 40 17.165 15.773 -2.382 1.00 0.00 H new ATOM 0 HA SER A 40 19.372 16.597 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.615 14.933 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.848 14.974 -2.855 1.00 0.00 H new ATOM 0 HG SER A 40 21.260 16.509 -1.161 1.00 0.00 H new ATOM 625 N GLN A 41 17.258 14.435 -4.487 1.00 0.00 N ATOM 626 CA GLN A 41 16.714 13.267 -5.208 1.00 0.00 C ATOM 627 C GLN A 41 15.468 13.656 -6.012 1.00 0.00 C ATOM 628 O GLN A 41 14.761 14.615 -5.674 1.00 0.00 O ATOM 629 CB GLN A 41 16.360 12.107 -4.227 1.00 0.00 C ATOM 630 CG GLN A 41 15.660 12.574 -2.928 1.00 0.00 C ATOM 631 CD GLN A 41 14.652 11.599 -2.357 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.030 10.822 -3.083 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.446 11.656 -1.053 1.00 0.00 N ATOM 0 H GLN A 41 16.542 15.093 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 41 17.488 12.920 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.714 11.395 -4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.274 11.575 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.422 12.769 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.156 13.520 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.979 12.311 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.754 11.045 -0.619 1.00 0.00 H new ATOM 642 N ARG A 42 15.202 12.872 -7.069 1.00 0.00 N ATOM 643 CA ARG A 42 14.015 13.021 -7.934 1.00 0.00 C ATOM 644 C ARG A 42 13.249 11.687 -7.984 1.00 0.00 C ATOM 645 O ARG A 42 13.590 10.727 -7.278 1.00 0.00 O ATOM 646 CB ARG A 42 14.433 13.451 -9.372 1.00 0.00 C ATOM 647 CG ARG A 42 15.154 14.815 -9.467 1.00 0.00 C ATOM 648 CD ARG A 42 15.522 15.174 -10.922 1.00 0.00 C ATOM 649 NE ARG A 42 16.336 16.408 -11.010 1.00 0.00 N ATOM 650 CZ ARG A 42 17.613 16.467 -11.439 1.00 0.00 C ATOM 651 NH1 ARG A 42 18.297 15.362 -11.719 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.210 17.639 -11.550 1.00 0.00 N ATOM 0 H ARG A 42 15.812 12.106 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 42 13.371 13.796 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.085 12.683 -9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.541 13.485 -9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.513 15.593 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.059 14.790 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.072 14.346 -11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.609 15.302 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 42 15.896 17.282 -10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.857 14.448 -11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.262 15.428 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.706 18.493 -11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.176 17.691 -11.874 1.00 0.00 H new ATOM 666 N ILE A 43 12.220 11.646 -8.835 1.00 0.00 N ATOM 667 CA ILE A 43 11.415 10.445 -9.085 1.00 0.00 C ATOM 668 C ILE A 43 11.722 9.966 -10.499 1.00 0.00 C ATOM 669 O ILE A 43 11.260 10.529 -11.487 1.00 0.00 O ATOM 670 CB ILE A 43 9.875 10.734 -8.887 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.553 10.965 -7.376 1.00 0.00 C ATOM 672 CG2 ILE A 43 8.962 9.640 -9.493 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.918 9.832 -6.438 1.00 0.00 C ATOM 0 H ILE A 43 11.918 12.456 -9.377 1.00 0.00 H new ATOM 0 HA ILE A 43 11.670 9.665 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 43 9.654 11.646 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.074 11.864 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.485 11.161 -7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.918 9.901 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.146 9.565 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.179 8.682 -9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.649 10.104 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.377 8.931 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.990 9.645 -6.493 1.00 0.00 H new ATOM 685 N LEU A 44 12.605 8.981 -10.572 1.00 0.00 N ATOM 686 CA LEU A 44 12.967 8.312 -11.821 1.00 0.00 C ATOM 687 C LEU A 44 12.331 6.930 -11.770 1.00 0.00 C ATOM 688 O LEU A 44 12.310 6.318 -10.723 1.00 0.00 O ATOM 689 CB LEU A 44 14.509 8.274 -11.944 1.00 0.00 C ATOM 690 CG LEU A 44 15.202 9.653 -11.677 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.735 9.532 -11.648 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.745 10.736 -12.684 1.00 0.00 C ATOM 0 H LEU A 44 13.099 8.616 -9.757 1.00 0.00 H new ATOM 0 HA LEU A 44 12.604 8.833 -12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.902 7.539 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.775 7.932 -12.944 1.00 0.00 H new ATOM 0 HG LEU A 44 14.882 9.974 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.174 10.512 -11.460 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.031 8.844 -10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.088 9.154 -12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.250 11.676 -12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.995 10.420 -13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.667 10.876 -12.604 1.00 0.00 H new ATOM 704 N VAL A 45 11.791 6.461 -12.883 1.00 0.00 N ATOM 705 CA VAL A 45 10.865 5.295 -12.903 1.00 0.00 C ATOM 706 C VAL A 45 11.399 4.147 -13.763 1.00 0.00 C ATOM 707 O VAL A 45 12.474 4.265 -14.357 1.00 0.00 O ATOM 708 CB VAL A 45 9.441 5.742 -13.397 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.706 6.548 -12.303 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.552 6.557 -14.709 1.00 0.00 C ATOM 0 H VAL A 45 11.969 6.862 -13.804 1.00 0.00 H new ATOM 0 HA VAL A 45 10.788 4.920 -11.883 1.00 0.00 H new ATOM 0 HB VAL A 45 8.853 4.847 -13.602 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.723 6.846 -12.669 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.590 5.930 -11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.286 7.437 -12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.557 6.858 -15.036 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.161 7.444 -14.536 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.017 5.943 -15.480 1.00 0.00 H new ATOM 720 N GLY A 46 10.624 3.036 -13.800 1.00 0.00 N ATOM 721 CA GLY A 46 10.979 1.836 -14.567 1.00 0.00 C ATOM 722 C GLY A 46 11.271 2.115 -16.044 1.00 0.00 C ATOM 723 O GLY A 46 12.307 1.693 -16.575 1.00 0.00 O ATOM 0 H GLY A 46 9.740 2.955 -13.298 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.855 1.372 -14.114 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.164 1.116 -14.496 1.00 0.00 H new ATOM 727 N TYR A 47 10.356 2.844 -16.701 1.00 0.00 N ATOM 728 CA TYR A 47 10.547 3.307 -18.093 1.00 0.00 C ATOM 729 C TYR A 47 11.475 4.553 -18.126 1.00 0.00 C ATOM 730 O TYR A 47 11.675 5.164 -17.074 1.00 0.00 O ATOM 731 CB TYR A 47 9.163 3.599 -18.759 1.00 0.00 C ATOM 732 CG TYR A 47 8.319 4.741 -18.127 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.458 6.071 -18.548 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.375 4.475 -17.134 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.699 7.083 -17.987 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.615 5.484 -16.575 1.00 0.00 C ATOM 737 CZ TYR A 47 6.777 6.780 -17.007 1.00 0.00 C ATOM 738 OH TYR A 47 6.023 7.784 -16.445 1.00 0.00 O ATOM 0 H TYR A 47 9.467 3.130 -16.290 1.00 0.00 H new ATOM 0 HA TYR A 47 11.033 2.519 -18.669 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.333 3.840 -19.808 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.572 2.683 -18.734 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.170 6.310 -19.324 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.236 3.459 -16.796 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.828 8.104 -18.315 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.896 5.256 -15.802 1.00 0.00 H new ATOM 0 HH TYR A 47 5.275 7.392 -15.948 1.00 0.00 H new ATOM 748 N PRO A 48 12.064 4.928 -19.330 1.00 0.00 N ATOM 749 CA PRO A 48 12.828 6.194 -19.523 1.00 0.00 C ATOM 750 C PRO A 48 12.173 7.436 -18.849 1.00 0.00 C ATOM 751 O PRO A 48 11.133 7.925 -19.323 1.00 0.00 O ATOM 752 CB PRO A 48 12.844 6.338 -21.064 1.00 0.00 C ATOM 753 CG PRO A 48 12.911 4.928 -21.557 1.00 0.00 C ATOM 754 CD PRO A 48 12.081 4.109 -20.581 1.00 0.00 C ATOM 0 HA PRO A 48 13.814 6.150 -19.060 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.950 6.846 -21.427 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.701 6.920 -21.402 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.515 4.848 -22.570 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.941 4.573 -21.588 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.073 3.941 -20.960 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.524 3.128 -20.408 1.00 0.00 H new ATOM 762 N PRO A 49 12.737 7.920 -17.691 1.00 0.00 N ATOM 763 CA PRO A 49 12.130 9.017 -16.915 1.00 0.00 C ATOM 764 C PRO A 49 12.351 10.397 -17.562 1.00 0.00 C ATOM 765 O PRO A 49 13.280 10.596 -18.355 1.00 0.00 O ATOM 766 CB PRO A 49 12.827 8.904 -15.542 1.00 0.00 C ATOM 767 CG PRO A 49 14.184 8.351 -15.858 1.00 0.00 C ATOM 768 CD PRO A 49 13.996 7.433 -17.056 1.00 0.00 C ATOM 0 HA PRO A 49 11.045 8.932 -16.853 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.898 9.875 -15.051 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.276 8.246 -14.870 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.888 9.151 -16.087 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.590 7.804 -15.007 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.840 7.496 -17.743 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.911 6.390 -16.750 1.00 0.00 H new ATOM 776 N GLU A 50 11.493 11.345 -17.178 1.00 0.00 N ATOM 777 CA GLU A 50 11.443 12.702 -17.747 1.00 0.00 C ATOM 778 C GLU A 50 12.370 13.681 -16.998 1.00 0.00 C ATOM 779 O GLU A 50 12.326 14.887 -17.274 1.00 0.00 O ATOM 780 CB GLU A 50 9.967 13.192 -17.679 1.00 0.00 C ATOM 781 CG GLU A 50 8.957 12.249 -18.380 1.00 0.00 C ATOM 782 CD GLU A 50 7.493 12.665 -18.158 1.00 0.00 C ATOM 783 OE1 GLU A 50 6.894 12.242 -17.146 1.00 0.00 O ATOM 784 OE2 GLU A 50 6.943 13.434 -18.977 1.00 0.00 O ATOM 0 H GLU A 50 10.797 11.192 -16.448 1.00 0.00 H new ATOM 0 HA GLU A 50 11.796 12.671 -18.778 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.680 13.303 -16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.902 14.180 -18.134 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.166 12.232 -19.450 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.100 11.233 -18.011 1.00 0.00 H new ATOM 791 N CYS A 51 13.209 13.146 -16.066 1.00 0.00 N ATOM 792 CA CYS A 51 13.999 13.944 -15.091 1.00 0.00 C ATOM 793 C CYS A 51 13.056 14.748 -14.169 1.00 0.00 C ATOM 794 O CYS A 51 13.438 15.794 -13.623 1.00 0.00 O ATOM 795 CB CYS A 51 15.015 14.875 -15.805 1.00 0.00 C ATOM 796 SG CYS A 51 16.113 14.020 -16.952 1.00 0.00 S ATOM 0 H CYS A 51 13.355 12.141 -15.972 1.00 0.00 H new ATOM 0 HA CYS A 51 14.576 13.253 -14.477 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.467 15.645 -16.348 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.617 15.384 -15.052 1.00 0.00 H new ATOM 0 HG CYS A 51 16.922 14.878 -17.500 1.00 0.00 H new ATOM 802 N LEU A 52 11.826 14.204 -13.989 1.00 0.00 N ATOM 803 CA LEU A 52 10.730 14.867 -13.274 1.00 0.00 C ATOM 804 C LEU A 52 11.116 15.130 -11.807 1.00 0.00 C ATOM 805 O LEU A 52 11.254 14.197 -10.995 1.00 0.00 O ATOM 806 CB LEU A 52 9.387 14.077 -13.387 1.00 0.00 C ATOM 807 CG LEU A 52 9.376 12.564 -12.957 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.992 12.159 -12.413 1.00 0.00 C ATOM 809 CD2 LEU A 52 9.772 11.622 -14.125 1.00 0.00 C ATOM 0 H LEU A 52 11.575 13.282 -14.344 1.00 0.00 H new ATOM 0 HA LEU A 52 10.561 15.830 -13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.642 14.599 -12.787 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.055 14.131 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 52 10.121 12.456 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.009 11.109 -12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.748 12.772 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.239 12.309 -13.186 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.751 10.588 -13.782 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.067 11.746 -14.947 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.777 11.870 -14.468 1.00 0.00 H new ATOM 821 N ASP A 53 11.341 16.420 -11.512 1.00 0.00 N ATOM 822 CA ASP A 53 11.742 16.912 -10.193 1.00 0.00 C ATOM 823 C ASP A 53 10.498 17.436 -9.465 1.00 0.00 C ATOM 824 O ASP A 53 9.696 18.174 -10.042 1.00 0.00 O ATOM 825 CB ASP A 53 12.805 18.037 -10.328 1.00 0.00 C ATOM 826 CG ASP A 53 13.212 18.641 -8.975 1.00 0.00 C ATOM 827 OD1 ASP A 53 13.931 17.966 -8.205 1.00 0.00 O ATOM 828 OD2 ASP A 53 12.805 19.786 -8.665 1.00 0.00 O ATOM 0 H ASP A 53 11.246 17.164 -12.203 1.00 0.00 H new ATOM 0 HA ASP A 53 12.189 16.099 -9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.690 17.636 -10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.412 18.826 -10.969 1.00 0.00 H new ATOM 833 N LEU A 54 10.357 17.029 -8.206 1.00 0.00 N ATOM 834 CA LEU A 54 9.218 17.372 -7.348 1.00 0.00 C ATOM 835 C LEU A 54 9.526 18.699 -6.644 1.00 0.00 C ATOM 836 O LEU A 54 10.120 18.720 -5.567 1.00 0.00 O ATOM 837 CB LEU A 54 8.963 16.221 -6.332 1.00 0.00 C ATOM 838 CG LEU A 54 8.300 14.912 -6.874 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.084 14.296 -8.055 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.103 13.890 -5.723 1.00 0.00 C ATOM 0 H LEU A 54 11.045 16.438 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 54 8.309 17.493 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.919 15.952 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.333 16.611 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 54 7.320 15.180 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.581 13.390 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.130 15.013 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.095 14.050 -7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.641 12.984 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.071 13.643 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.459 14.324 -4.958 1.00 0.00 H new ATOM 852 N SER A 55 9.174 19.811 -7.306 1.00 0.00 N ATOM 853 CA SER A 55 9.414 21.172 -6.793 1.00 0.00 C ATOM 854 C SER A 55 8.171 21.693 -6.030 1.00 0.00 C ATOM 855 O SER A 55 8.076 22.889 -5.727 1.00 0.00 O ATOM 856 CB SER A 55 9.802 22.107 -7.975 1.00 0.00 C ATOM 857 OG SER A 55 10.231 23.386 -7.522 1.00 0.00 O ATOM 0 H SER A 55 8.713 19.794 -8.216 1.00 0.00 H new ATOM 0 HA SER A 55 10.241 21.156 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.597 21.643 -8.559 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.946 22.226 -8.640 1.00 0.00 H new ATOM 0 HG SER A 55 9.680 23.665 -6.761 1.00 0.00 H new ATOM 863 N ASP A 56 7.229 20.784 -5.700 1.00 0.00 N ATOM 864 CA ASP A 56 5.999 21.121 -4.960 1.00 0.00 C ATOM 865 C ASP A 56 5.846 20.166 -3.767 1.00 0.00 C ATOM 866 O ASP A 56 5.693 18.970 -3.961 1.00 0.00 O ATOM 867 CB ASP A 56 4.764 21.030 -5.896 1.00 0.00 C ATOM 868 CG ASP A 56 3.443 21.392 -5.195 1.00 0.00 C ATOM 869 OD1 ASP A 56 3.110 22.590 -5.112 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.733 20.485 -4.713 1.00 0.00 O ATOM 0 H ASP A 56 7.302 19.795 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 56 6.068 22.144 -4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.911 21.696 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.691 20.018 -6.293 1.00 0.00 H new ATOM 875 N ARG A 57 5.868 20.715 -2.544 1.00 0.00 N ATOM 876 CA ARG A 57 5.827 19.936 -1.278 1.00 0.00 C ATOM 877 C ARG A 57 4.539 19.086 -1.128 1.00 0.00 C ATOM 878 O ARG A 57 4.560 18.004 -0.529 1.00 0.00 O ATOM 879 CB ARG A 57 5.970 20.925 -0.089 1.00 0.00 C ATOM 880 CG ARG A 57 4.874 22.025 -0.043 1.00 0.00 C ATOM 881 CD ARG A 57 5.202 23.162 0.944 1.00 0.00 C ATOM 882 NE ARG A 57 5.343 22.685 2.327 1.00 0.00 N ATOM 883 CZ ARG A 57 5.900 23.372 3.328 1.00 0.00 C ATOM 884 NH1 ARG A 57 6.422 24.582 3.138 1.00 0.00 N ATOM 885 NH2 ARG A 57 5.945 22.839 4.525 1.00 0.00 N ATOM 0 H ARG A 57 5.915 21.723 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 57 6.653 19.225 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.943 20.361 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.948 21.404 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.745 22.444 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.923 21.571 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.126 23.651 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.414 23.914 0.901 1.00 0.00 H new ATOM 0 HE ARG A 57 4.986 21.753 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.403 25.006 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.841 25.085 3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.557 21.909 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.368 23.354 5.297 1.00 0.00 H new ATOM 899 N ASP A 58 3.444 19.583 -1.715 1.00 0.00 N ATOM 900 CA ASP A 58 2.077 19.034 -1.548 1.00 0.00 C ATOM 901 C ASP A 58 1.834 17.811 -2.466 1.00 0.00 C ATOM 902 O ASP A 58 0.982 16.963 -2.160 1.00 0.00 O ATOM 903 CB ASP A 58 1.061 20.181 -1.847 1.00 0.00 C ATOM 904 CG ASP A 58 -0.424 19.773 -1.779 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.989 19.352 -2.813 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.042 19.896 -0.701 1.00 0.00 O ATOM 0 H ASP A 58 3.475 20.394 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 58 1.947 18.675 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.232 20.991 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.267 20.578 -2.841 1.00 0.00 H new ATOM 911 N ILE A 59 2.616 17.726 -3.567 1.00 0.00 N ATOM 912 CA ILE A 59 2.441 16.710 -4.635 1.00 0.00 C ATOM 913 C ILE A 59 2.489 15.261 -4.066 1.00 0.00 C ATOM 914 O ILE A 59 3.333 14.945 -3.223 1.00 0.00 O ATOM 915 CB ILE A 59 3.518 16.924 -5.781 1.00 0.00 C ATOM 916 CG1 ILE A 59 3.053 16.286 -7.122 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.920 16.385 -5.380 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.966 16.574 -8.309 1.00 0.00 C ATOM 0 H ILE A 59 3.392 18.364 -3.742 1.00 0.00 H new ATOM 0 HA ILE A 59 1.450 16.843 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 59 3.609 18.001 -5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.979 15.207 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.051 16.648 -7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.622 16.554 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.268 16.905 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.854 15.317 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.566 16.091 -9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.021 17.650 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.964 16.186 -8.103 1.00 0.00 H new ATOM 930 N THR A 60 1.547 14.406 -4.506 1.00 0.00 N ATOM 931 CA THR A 60 1.364 13.038 -3.963 1.00 0.00 C ATOM 932 C THR A 60 1.705 11.972 -5.022 1.00 0.00 C ATOM 933 O THR A 60 1.952 12.307 -6.180 1.00 0.00 O ATOM 934 CB THR A 60 -0.105 12.823 -3.470 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.027 12.946 -4.564 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.500 13.815 -2.363 1.00 0.00 C ATOM 0 H THR A 60 0.888 14.640 -5.249 1.00 0.00 H new ATOM 0 HA THR A 60 2.044 12.931 -3.118 1.00 0.00 H new ATOM 0 HB THR A 60 -0.152 11.816 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.602 13.441 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.528 13.625 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.164 13.690 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.417 14.834 -2.741 1.00 0.00 H new ATOM 944 N LEU A 61 1.675 10.680 -4.621 1.00 0.00 N ATOM 945 CA LEU A 61 1.932 9.543 -5.540 1.00 0.00 C ATOM 946 C LEU A 61 0.861 9.443 -6.641 1.00 0.00 C ATOM 947 O LEU A 61 1.110 8.859 -7.697 1.00 0.00 O ATOM 948 CB LEU A 61 1.997 8.204 -4.764 1.00 0.00 C ATOM 949 CG LEU A 61 3.029 8.138 -3.605 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.093 6.720 -3.006 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.421 8.631 -4.045 1.00 0.00 C ATOM 0 H LEU A 61 1.474 10.396 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 61 2.896 9.734 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.008 7.995 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.224 7.407 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 61 2.688 8.817 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.823 6.700 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.112 6.444 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.389 6.011 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.112 8.568 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.786 8.009 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.351 9.666 -4.380 1.00 0.00 H new ATOM 963 N GLY A 62 -0.325 10.027 -6.382 1.00 0.00 N ATOM 964 CA GLY A 62 -1.394 10.121 -7.383 1.00 0.00 C ATOM 965 C GLY A 62 -1.016 10.984 -8.592 1.00 0.00 C ATOM 966 O GLY A 62 -1.678 10.923 -9.633 1.00 0.00 O ATOM 0 H GLY A 62 -0.563 10.442 -5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.650 9.119 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.286 10.535 -6.914 1.00 0.00 H new ATOM 970 N ASP A 63 0.040 11.809 -8.442 1.00 0.00 N ATOM 971 CA ASP A 63 0.558 12.675 -9.514 1.00 0.00 C ATOM 972 C ASP A 63 1.779 12.035 -10.207 1.00 0.00 C ATOM 973 O ASP A 63 1.870 12.044 -11.437 1.00 0.00 O ATOM 974 CB ASP A 63 0.954 14.051 -8.943 1.00 0.00 C ATOM 975 CG ASP A 63 -0.193 14.746 -8.184 1.00 0.00 C ATOM 976 OD1 ASP A 63 -1.031 15.403 -8.824 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.271 14.621 -6.943 1.00 0.00 O ATOM 0 H ASP A 63 0.559 11.892 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.234 12.801 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.803 13.928 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.284 14.694 -9.759 1.00 0.00 H new ATOM 982 N LEU A 64 2.721 11.496 -9.406 1.00 0.00 N ATOM 983 CA LEU A 64 3.976 10.888 -9.923 1.00 0.00 C ATOM 984 C LEU A 64 3.756 9.398 -10.302 1.00 0.00 C ATOM 985 O LEU A 64 2.873 8.752 -9.734 1.00 0.00 O ATOM 986 CB LEU A 64 5.132 11.009 -8.876 1.00 0.00 C ATOM 987 CG LEU A 64 5.598 12.440 -8.448 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.705 13.399 -9.650 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.717 13.017 -7.328 1.00 0.00 C ATOM 0 H LEU A 64 2.640 11.467 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 64 4.262 11.437 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.823 10.477 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.999 10.483 -9.275 1.00 0.00 H new ATOM 0 HG LEU A 64 6.604 12.336 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.032 14.380 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.428 13.007 -10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.731 13.489 -10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.074 14.011 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.685 13.083 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.766 12.366 -6.455 1.00 0.00 H new ATOM 1001 N PRO A 65 4.574 8.809 -11.249 1.00 0.00 N ATOM 1002 CA PRO A 65 4.401 7.413 -11.729 1.00 0.00 C ATOM 1003 C PRO A 65 5.022 6.361 -10.775 1.00 0.00 C ATOM 1004 O PRO A 65 5.639 5.387 -11.223 1.00 0.00 O ATOM 1005 CB PRO A 65 5.094 7.429 -13.137 1.00 0.00 C ATOM 1006 CG PRO A 65 5.626 8.833 -13.322 1.00 0.00 C ATOM 1007 CD PRO A 65 5.720 9.431 -11.943 1.00 0.00 C ATOM 0 HA PRO A 65 3.353 7.117 -11.774 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.900 6.697 -13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.385 7.173 -13.924 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.602 8.819 -13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.963 9.420 -13.957 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.667 9.191 -11.460 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.640 10.518 -11.965 1.00 0.00 H new ATOM 1015 N ILE A 66 4.835 6.559 -9.452 1.00 0.00 N ATOM 1016 CA ILE A 66 5.095 5.518 -8.449 1.00 0.00 C ATOM 1017 C ILE A 66 3.983 4.481 -8.609 1.00 0.00 C ATOM 1018 O ILE A 66 2.811 4.772 -8.347 1.00 0.00 O ATOM 1019 CB ILE A 66 5.136 6.044 -6.948 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.421 6.884 -6.645 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.023 4.881 -5.930 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.469 8.239 -7.293 1.00 0.00 C ATOM 0 H ILE A 66 4.502 7.439 -9.058 1.00 0.00 H new ATOM 0 HA ILE A 66 6.090 5.109 -8.626 1.00 0.00 H new ATOM 0 HB ILE A 66 4.270 6.696 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.505 7.012 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.292 6.314 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.055 5.280 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.081 4.354 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.853 4.190 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.398 8.740 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.421 8.126 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.622 8.835 -6.953 1.00 0.00 H new ATOM 1034 N GLN A 67 4.345 3.319 -9.135 1.00 0.00 N ATOM 1035 CA GLN A 67 3.412 2.221 -9.384 1.00 0.00 C ATOM 1036 C GLN A 67 3.641 1.127 -8.327 1.00 0.00 C ATOM 1037 O GLN A 67 4.654 1.154 -7.605 1.00 0.00 O ATOM 1038 CB GLN A 67 3.620 1.702 -10.837 1.00 0.00 C ATOM 1039 CG GLN A 67 3.600 2.817 -11.914 1.00 0.00 C ATOM 1040 CD GLN A 67 2.219 3.430 -12.162 1.00 0.00 C ATOM 1041 OE1 GLN A 67 1.461 2.951 -13.006 1.00 0.00 O ATOM 1042 NE2 GLN A 67 1.879 4.481 -11.430 1.00 0.00 N ATOM 0 H GLN A 67 5.305 3.107 -9.405 1.00 0.00 H new ATOM 0 HA GLN A 67 2.377 2.551 -9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.573 1.176 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.841 0.975 -11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.287 3.608 -11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.976 2.407 -12.851 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.530 4.853 -10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.966 4.917 -11.557 1.00 0.00 H new ATOM 1051 N SER A 68 2.694 0.189 -8.237 1.00 0.00 N ATOM 1052 CA SER A 68 2.720 -0.882 -7.242 1.00 0.00 C ATOM 1053 C SER A 68 3.935 -1.817 -7.466 1.00 0.00 C ATOM 1054 O SER A 68 3.910 -2.681 -8.352 1.00 0.00 O ATOM 1055 CB SER A 68 1.376 -1.652 -7.286 1.00 0.00 C ATOM 1056 OG SER A 68 1.048 -2.047 -8.608 1.00 0.00 O ATOM 0 H SER A 68 1.884 0.153 -8.856 1.00 0.00 H new ATOM 0 HA SER A 68 2.838 -0.453 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.439 -2.533 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.581 -1.023 -6.885 1.00 0.00 H new ATOM 0 HG SER A 68 1.849 -2.392 -9.054 1.00 0.00 H new ATOM 1062 N GLY A 69 5.000 -1.592 -6.669 1.00 0.00 N ATOM 1063 CA GLY A 69 6.234 -2.380 -6.744 1.00 0.00 C ATOM 1064 C GLY A 69 7.113 -2.020 -7.939 1.00 0.00 C ATOM 1065 O GLY A 69 7.765 -2.896 -8.519 1.00 0.00 O ATOM 0 H GLY A 69 5.023 -0.860 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.805 -2.236 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.978 -3.438 -6.797 1.00 0.00 H new ATOM 1069 N ASP A 70 7.131 -0.724 -8.304 1.00 0.00 N ATOM 1070 CA ASP A 70 7.903 -0.213 -9.463 1.00 0.00 C ATOM 1071 C ASP A 70 9.337 0.168 -9.048 1.00 0.00 C ATOM 1072 O ASP A 70 9.637 0.302 -7.851 1.00 0.00 O ATOM 1073 CB ASP A 70 7.165 1.002 -10.084 1.00 0.00 C ATOM 1074 CG ASP A 70 7.791 1.522 -11.396 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.903 0.727 -12.353 1.00 0.00 O ATOM 1076 OD2 ASP A 70 8.181 2.711 -11.477 1.00 0.00 O ATOM 0 H ASP A 70 6.613 0.001 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 70 7.978 -1.002 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.128 0.724 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.149 1.813 -9.356 1.00 0.00 H new ATOM 1081 N MET A 71 10.206 0.350 -10.056 1.00 0.00 N ATOM 1082 CA MET A 71 11.607 0.727 -9.865 1.00 0.00 C ATOM 1083 C MET A 71 11.728 2.255 -9.825 1.00 0.00 C ATOM 1084 O MET A 71 11.719 2.915 -10.862 1.00 0.00 O ATOM 1085 CB MET A 71 12.490 0.152 -11.010 1.00 0.00 C ATOM 1086 CG MET A 71 14.010 0.412 -10.866 1.00 0.00 C ATOM 1087 SD MET A 71 14.937 -0.981 -10.162 1.00 0.00 S ATOM 1088 CE MET A 71 14.204 -1.212 -8.542 1.00 0.00 C ATOM 0 H MET A 71 9.947 0.237 -11.036 1.00 0.00 H new ATOM 0 HA MET A 71 11.957 0.312 -8.920 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.326 -0.924 -11.068 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.153 0.577 -11.955 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.422 0.650 -11.847 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.160 1.289 -10.237 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.827 -1.885 -7.953 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.130 -0.250 -8.036 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.208 -1.642 -8.651 1.00 0.00 H new ATOM 1098 N LEU A 72 11.788 2.807 -8.616 1.00 0.00 N ATOM 1099 CA LEU A 72 11.977 4.247 -8.390 1.00 0.00 C ATOM 1100 C LEU A 72 13.455 4.549 -8.098 1.00 0.00 C ATOM 1101 O LEU A 72 13.919 4.363 -6.977 1.00 0.00 O ATOM 1102 CB LEU A 72 11.037 4.750 -7.252 1.00 0.00 C ATOM 1103 CG LEU A 72 9.573 5.078 -7.679 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.550 6.196 -8.731 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.805 3.840 -8.184 1.00 0.00 C ATOM 0 H LEU A 72 11.707 2.267 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 72 11.705 4.791 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.006 3.992 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.477 5.645 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 72 9.057 5.423 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.519 6.408 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.005 7.095 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.110 5.879 -9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.793 4.130 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.318 3.422 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.760 3.092 -7.393 1.00 0.00 H new ATOM 1117 N ILE A 73 14.186 5.005 -9.129 1.00 0.00 N ATOM 1118 CA ILE A 73 15.620 5.275 -9.041 1.00 0.00 C ATOM 1119 C ILE A 73 15.834 6.594 -8.280 1.00 0.00 C ATOM 1120 O ILE A 73 15.598 7.689 -8.810 1.00 0.00 O ATOM 1121 CB ILE A 73 16.355 5.326 -10.446 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.153 4.001 -11.271 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.873 5.631 -10.268 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.803 3.849 -11.958 1.00 0.00 C ATOM 0 H ILE A 73 13.791 5.196 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 73 16.069 4.438 -8.506 1.00 0.00 H new ATOM 0 HB ILE A 73 15.898 6.136 -11.014 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.934 3.945 -12.029 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.297 3.153 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.355 5.661 -11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.995 6.595 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.332 4.851 -9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.773 2.902 -12.497 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.010 3.866 -11.210 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.657 4.670 -12.660 1.00 0.00 H new ATOM 1136 N VAL A 74 16.193 6.454 -7.003 1.00 0.00 N ATOM 1137 CA VAL A 74 16.586 7.568 -6.150 1.00 0.00 C ATOM 1138 C VAL A 74 18.044 7.961 -6.449 1.00 0.00 C ATOM 1139 O VAL A 74 18.988 7.224 -6.118 1.00 0.00 O ATOM 1140 CB VAL A 74 16.419 7.202 -4.632 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.928 8.332 -3.701 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.950 6.849 -4.319 1.00 0.00 C ATOM 0 H VAL A 74 16.218 5.551 -6.530 1.00 0.00 H new ATOM 0 HA VAL A 74 15.934 8.415 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 74 17.037 6.326 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.793 8.035 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.986 8.512 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.364 9.244 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.853 6.598 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.314 7.704 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.644 5.996 -4.924 1.00 0.00 H new ATOM 1152 N GLU A 75 18.201 9.104 -7.121 1.00 0.00 N ATOM 1153 CA GLU A 75 19.510 9.725 -7.368 1.00 0.00 C ATOM 1154 C GLU A 75 19.996 10.466 -6.104 1.00 0.00 C ATOM 1155 O GLU A 75 19.238 10.638 -5.141 1.00 0.00 O ATOM 1156 CB GLU A 75 19.409 10.705 -8.566 1.00 0.00 C ATOM 1157 CG GLU A 75 18.360 11.824 -8.372 1.00 0.00 C ATOM 1158 CD GLU A 75 18.425 12.908 -9.452 1.00 0.00 C ATOM 1159 OE1 GLU A 75 17.875 12.700 -10.558 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.032 13.972 -9.203 1.00 0.00 O ATOM 0 H GLU A 75 17.420 9.630 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 75 20.234 8.947 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.385 11.160 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.162 10.140 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.364 11.382 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.507 12.285 -7.395 1.00 0.00 H new ATOM 1167 N GLU A 76 21.268 10.884 -6.110 1.00 0.00 N ATOM 1168 CA GLU A 76 21.824 11.774 -5.080 1.00 0.00 C ATOM 1169 C GLU A 76 22.550 12.930 -5.773 1.00 0.00 C ATOM 1170 O GLU A 76 23.284 12.708 -6.742 1.00 0.00 O ATOM 1171 CB GLU A 76 22.797 11.033 -4.125 1.00 0.00 C ATOM 1172 CG GLU A 76 23.219 11.874 -2.890 1.00 0.00 C ATOM 1173 CD GLU A 76 24.452 11.324 -2.156 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.582 11.568 -2.619 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.304 10.632 -1.130 1.00 0.00 O ATOM 0 H GLU A 76 21.941 10.616 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 76 21.002 12.147 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.325 10.112 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.690 10.746 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.424 12.895 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.383 11.921 -2.192 1.00 0.00 H new ATOM 1182 N ASP A 77 22.353 14.155 -5.262 1.00 0.00 N ATOM 1183 CA ASP A 77 22.980 15.375 -5.822 1.00 0.00 C ATOM 1184 C ASP A 77 24.499 15.431 -5.525 1.00 0.00 C ATOM 1185 O ASP A 77 25.229 16.219 -6.145 1.00 0.00 O ATOM 1186 CB ASP A 77 22.270 16.636 -5.267 1.00 0.00 C ATOM 1187 CG ASP A 77 22.678 17.928 -6.008 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.147 18.186 -7.106 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.554 18.668 -5.519 1.00 0.00 O ATOM 0 H ASP A 77 21.758 14.334 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 77 22.864 15.344 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.191 16.503 -5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.503 16.742 -4.207 1.00 0.00 H new