USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 551 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 43 ASN : amide:sc= -4.39! C(o=-3.8!,f=-8.5!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc=-0.00181 USER MOD Set 1.3: A 50 THR OG1 : rot 113:sc= 0.558 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.06 K(o=2.2,f=-2.3!) USER MOD Set 2.2: A 33 TYR OH : rot -113:sc= 1.18 USER MOD Single : A 1 ASP N :NH3+ -147:sc= -0.529 (180deg=-2.87!) USER MOD Single : A 2 SER OG : rot 78:sc= -1.01 USER MOD Single : A 4 MET CE :methyl -148:sc= -0.575 (180deg=-2.87!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -95:sc= -2.09! USER MOD Single : A 16 TYR OH : rot 166:sc= -0.879 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -111:sc= -0.299 (180deg=-1.07) USER MOD Single : A 32 THR OG1 : rot -8:sc= 0.427 USER MOD Single : A 34 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.77) USER MOD Single : A 35 ASN : amide:sc= -7.91! C(o=-7.9!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-1.8) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.7!) USER MOD Single : A 51 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-3.3!) USER MOD Single : A 54 SER OG : rot -7:sc= 1.07 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 170:sc= 0.00115 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 110:sc= -1.73! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.143 -11.722 8.163 1.00 0.00 N ATOM 2 CA ASP A 1 -13.703 -11.500 8.473 1.00 0.00 C ATOM 3 C ASP A 1 -13.382 -10.009 8.365 1.00 0.00 C ATOM 4 O ASP A 1 -14.231 -9.203 8.044 1.00 0.00 O ATOM 5 CB ASP A 1 -12.839 -12.278 7.478 1.00 0.00 C ATOM 6 CG ASP A 1 -13.001 -13.779 7.724 1.00 0.00 C ATOM 7 OD1 ASP A 1 -13.574 -14.134 8.741 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.551 -14.549 6.891 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.501 -12.517 8.729 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.684 -10.863 8.391 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.251 -11.941 7.152 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.494 -11.846 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.131 -12.033 6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.793 -11.992 7.587 1.00 0.00 H new ATOM 15 N SER A 2 -12.159 -9.637 8.629 1.00 0.00 N ATOM 16 CA SER A 2 -11.783 -8.198 8.539 1.00 0.00 C ATOM 17 C SER A 2 -12.115 -7.674 7.143 1.00 0.00 C ATOM 18 O SER A 2 -12.501 -6.534 6.972 1.00 0.00 O ATOM 19 CB SER A 2 -10.283 -8.049 8.793 1.00 0.00 C ATOM 20 OG SER A 2 -10.063 -7.711 10.154 1.00 0.00 O ATOM 0 H SER A 2 -11.405 -10.267 8.903 1.00 0.00 H new ATOM 0 HA SER A 2 -12.338 -7.628 9.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.769 -8.979 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.869 -7.277 8.144 1.00 0.00 H new ATOM 0 HG SER A 2 -10.147 -8.515 10.708 1.00 0.00 H new ATOM 26 N GLU A 3 -11.968 -8.497 6.144 1.00 0.00 N ATOM 27 CA GLU A 3 -12.276 -8.048 4.758 1.00 0.00 C ATOM 28 C GLU A 3 -13.717 -7.545 4.703 1.00 0.00 C ATOM 29 O GLU A 3 -14.071 -6.734 3.872 1.00 0.00 O ATOM 30 CB GLU A 3 -12.101 -9.217 3.788 1.00 0.00 C ATOM 31 CG GLU A 3 -10.768 -9.071 3.051 1.00 0.00 C ATOM 32 CD GLU A 3 -10.513 -10.317 2.202 1.00 0.00 C ATOM 33 OE1 GLU A 3 -11.479 -10.948 1.805 1.00 0.00 O ATOM 34 OE2 GLU A 3 -9.355 -10.620 1.964 1.00 0.00 O ATOM 0 H GLU A 3 -11.648 -9.462 6.227 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.597 -7.244 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.127 -10.162 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.924 -9.237 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.786 -8.184 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.958 -8.934 3.767 1.00 0.00 H new ATOM 41 N MET A 4 -14.550 -8.013 5.592 1.00 0.00 N ATOM 42 CA MET A 4 -15.964 -7.550 5.597 1.00 0.00 C ATOM 43 C MET A 4 -16.013 -6.130 6.158 1.00 0.00 C ATOM 44 O MET A 4 -16.928 -5.376 5.894 1.00 0.00 O ATOM 45 CB MET A 4 -16.807 -8.480 6.474 1.00 0.00 C ATOM 46 CG MET A 4 -16.577 -9.931 6.048 1.00 0.00 C ATOM 47 SD MET A 4 -17.416 -10.236 4.474 1.00 0.00 S ATOM 48 CE MET A 4 -19.078 -9.758 5.007 1.00 0.00 C ATOM 0 H MET A 4 -14.312 -8.694 6.313 1.00 0.00 H new ATOM 0 HA MET A 4 -16.362 -7.562 4.582 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.538 -8.351 7.522 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.863 -8.226 6.382 1.00 0.00 H new ATOM 0 HG2 MET A 4 -15.510 -10.127 5.948 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.955 -10.610 6.812 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.817 -10.352 4.470 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.181 -9.932 6.078 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.238 -8.701 4.794 1.00 0.00 H new ATOM 58 N CYS A 5 -15.025 -5.760 6.926 1.00 0.00 N ATOM 59 CA CYS A 5 -14.999 -4.388 7.502 1.00 0.00 C ATOM 60 C CYS A 5 -14.449 -3.416 6.458 1.00 0.00 C ATOM 61 O CYS A 5 -14.625 -2.218 6.555 1.00 0.00 O ATOM 62 CB CYS A 5 -14.097 -4.373 8.738 1.00 0.00 C ATOM 63 SG CYS A 5 -14.500 -5.774 9.799 1.00 0.00 S ATOM 0 H CYS A 5 -14.233 -6.351 7.179 1.00 0.00 H new ATOM 0 HA CYS A 5 -16.008 -4.089 7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -13.050 -4.421 8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -14.229 -3.440 9.285 1.00 0.00 H new ATOM 68 N LYS A 6 -13.780 -3.925 5.459 1.00 0.00 N ATOM 69 CA LYS A 6 -13.214 -3.034 4.407 1.00 0.00 C ATOM 70 C LYS A 6 -14.311 -2.646 3.413 1.00 0.00 C ATOM 71 O LYS A 6 -14.089 -1.868 2.505 1.00 0.00 O ATOM 72 CB LYS A 6 -12.096 -3.769 3.666 1.00 0.00 C ATOM 73 CG LYS A 6 -11.150 -4.417 4.677 1.00 0.00 C ATOM 74 CD LYS A 6 -9.891 -4.904 3.956 1.00 0.00 C ATOM 75 CE LYS A 6 -8.832 -5.299 4.986 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.477 -5.162 4.381 1.00 0.00 N ATOM 0 H LYS A 6 -13.601 -4.920 5.326 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.815 -2.134 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.520 -4.529 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.546 -3.072 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.883 -3.700 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.645 -5.253 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.130 -5.756 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.505 -4.119 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.914 -4.665 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.994 -6.326 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.756 -5.430 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.403 -5.784 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.325 -4.176 4.089 1.00 0.00 H new ATOM 90 N ASP A 7 -15.492 -3.179 3.570 1.00 0.00 N ATOM 91 CA ASP A 7 -16.593 -2.836 2.626 1.00 0.00 C ATOM 92 C ASP A 7 -17.737 -2.167 3.389 1.00 0.00 C ATOM 93 O ASP A 7 -18.738 -1.786 2.815 1.00 0.00 O ATOM 94 CB ASP A 7 -17.106 -4.112 1.955 1.00 0.00 C ATOM 95 CG ASP A 7 -17.595 -5.090 3.024 1.00 0.00 C ATOM 96 OD1 ASP A 7 -18.116 -4.630 4.026 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.440 -6.283 2.822 1.00 0.00 O ATOM 0 H ASP A 7 -15.742 -3.836 4.309 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.216 -2.151 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.917 -3.873 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.312 -4.569 1.365 1.00 0.00 H new ATOM 102 N TYR A 8 -17.602 -2.017 4.679 1.00 0.00 N ATOM 103 CA TYR A 8 -18.688 -1.371 5.466 1.00 0.00 C ATOM 104 C TYR A 8 -18.147 -0.094 6.123 1.00 0.00 C ATOM 105 O TYR A 8 -16.957 0.151 6.137 1.00 0.00 O ATOM 106 CB TYR A 8 -19.212 -2.369 6.525 1.00 0.00 C ATOM 107 CG TYR A 8 -18.724 -2.006 7.913 1.00 0.00 C ATOM 108 CD1 TYR A 8 -17.354 -2.034 8.204 1.00 0.00 C ATOM 109 CD2 TYR A 8 -19.642 -1.638 8.903 1.00 0.00 C ATOM 110 CE1 TYR A 8 -16.904 -1.694 9.485 1.00 0.00 C ATOM 111 CE2 TYR A 8 -19.191 -1.298 10.185 1.00 0.00 C ATOM 112 CZ TYR A 8 -17.822 -1.326 10.475 1.00 0.00 C ATOM 113 OH TYR A 8 -17.377 -0.989 11.738 1.00 0.00 O ATOM 0 H TYR A 8 -16.789 -2.313 5.219 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.517 -1.095 4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -20.302 -2.378 6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.882 -3.377 6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.645 -2.318 7.440 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -20.698 -1.616 8.679 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.848 -1.716 9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -19.899 -1.014 10.949 1.00 0.00 H new ATOM 0 HH TYR A 8 -17.418 -1.776 12.320 1.00 0.00 H new ATOM 123 N ARG A 9 -19.010 0.716 6.667 1.00 0.00 N ATOM 124 CA ARG A 9 -18.546 1.970 7.324 1.00 0.00 C ATOM 125 C ARG A 9 -19.502 2.326 8.463 1.00 0.00 C ATOM 126 O ARG A 9 -20.702 2.387 8.282 1.00 0.00 O ATOM 127 CB ARG A 9 -18.525 3.106 6.299 1.00 0.00 C ATOM 128 CG ARG A 9 -17.183 3.101 5.562 1.00 0.00 C ATOM 129 CD ARG A 9 -17.036 4.400 4.767 1.00 0.00 C ATOM 130 NE ARG A 9 -18.349 4.764 4.164 1.00 0.00 N ATOM 131 CZ ARG A 9 -18.647 4.363 2.959 1.00 0.00 C ATOM 132 NH1 ARG A 9 -18.668 5.217 1.973 1.00 0.00 N ATOM 133 NH2 ARG A 9 -18.927 3.107 2.739 1.00 0.00 N ATOM 0 H ARG A 9 -20.018 0.564 6.686 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.542 1.825 7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.343 2.985 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.675 4.064 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.364 3.003 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.127 2.243 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.689 5.201 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.286 4.278 3.985 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.015 5.327 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.451 6.199 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.901 4.903 1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.913 2.439 3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.160 2.794 1.797 1.00 0.00 H new ATOM 147 N VAL A 10 -18.983 2.556 9.637 1.00 0.00 N ATOM 148 CA VAL A 10 -19.867 2.902 10.784 1.00 0.00 C ATOM 149 C VAL A 10 -19.415 4.225 11.408 1.00 0.00 C ATOM 150 O VAL A 10 -18.241 4.532 11.455 1.00 0.00 O ATOM 151 CB VAL A 10 -19.797 1.788 11.832 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.467 1.868 12.584 1.00 0.00 C ATOM 153 CG2 VAL A 10 -20.951 1.952 12.822 1.00 0.00 C ATOM 0 H VAL A 10 -17.986 2.519 9.851 1.00 0.00 H new ATOM 0 HA VAL A 10 -20.893 3.007 10.431 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.872 0.820 11.336 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.422 1.073 13.329 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.643 1.753 11.880 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.387 2.835 13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -20.904 1.160 13.570 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.873 2.921 13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -21.900 1.891 12.288 1.00 0.00 H new ATOM 163 N LEU A 11 -20.342 5.009 11.888 1.00 0.00 N ATOM 164 CA LEU A 11 -19.972 6.311 12.511 1.00 0.00 C ATOM 165 C LEU A 11 -20.175 6.221 14.025 1.00 0.00 C ATOM 166 O LEU A 11 -20.741 5.269 14.526 1.00 0.00 O ATOM 167 CB LEU A 11 -20.861 7.417 11.938 1.00 0.00 C ATOM 168 CG LEU A 11 -20.120 8.136 10.808 1.00 0.00 C ATOM 169 CD1 LEU A 11 -20.846 7.888 9.485 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.082 9.637 11.095 1.00 0.00 C ATOM 0 H LEU A 11 -21.341 4.803 11.875 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.928 6.539 12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.792 6.992 11.563 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.127 8.127 12.722 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.101 7.754 10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -20.319 8.400 8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.872 6.818 9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.865 8.270 9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.554 10.148 10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.100 10.020 11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.565 9.814 12.038 1.00 0.00 H new ATOM 182 N PRO A 12 -19.704 7.235 14.767 1.00 0.00 N ATOM 183 CA PRO A 12 -19.834 7.273 16.230 1.00 0.00 C ATOM 184 C PRO A 12 -21.293 7.431 16.667 1.00 0.00 C ATOM 185 O PRO A 12 -21.667 7.061 17.762 1.00 0.00 O ATOM 186 CB PRO A 12 -19.026 8.508 16.629 1.00 0.00 C ATOM 187 CG PRO A 12 -19.037 9.368 15.411 1.00 0.00 C ATOM 188 CD PRO A 12 -19.011 8.424 14.242 1.00 0.00 C ATOM 0 HA PRO A 12 -19.485 6.352 16.697 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.476 9.019 17.480 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.009 8.241 16.918 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.926 9.998 15.385 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.174 10.034 15.395 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.523 8.840 13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.992 8.194 13.931 1.00 0.00 H new ATOM 196 N ARG A 13 -22.120 7.973 15.816 1.00 0.00 N ATOM 197 CA ARG A 13 -23.553 8.148 16.181 1.00 0.00 C ATOM 198 C ARG A 13 -24.322 6.879 15.814 1.00 0.00 C ATOM 199 O ARG A 13 -25.340 6.565 16.399 1.00 0.00 O ATOM 200 CB ARG A 13 -24.133 9.338 15.416 1.00 0.00 C ATOM 201 CG ARG A 13 -23.443 10.623 15.881 1.00 0.00 C ATOM 202 CD ARG A 13 -24.088 11.825 15.191 1.00 0.00 C ATOM 203 NE ARG A 13 -23.225 13.026 15.378 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.253 13.267 14.542 1.00 0.00 C ATOM 205 NH1 ARG A 13 -21.043 12.859 14.814 1.00 0.00 N ATOM 206 NH2 ARG A 13 -22.490 13.916 13.435 1.00 0.00 N ATOM 0 H ARG A 13 -21.865 8.302 14.885 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.640 8.332 17.252 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.989 9.201 14.344 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.207 9.406 15.587 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.527 10.723 16.963 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.379 10.583 15.646 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.220 11.621 14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.079 12.008 15.606 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.394 13.659 16.159 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -20.858 12.352 15.680 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -20.282 13.047 14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -23.435 14.235 13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.730 14.104 12.781 1.00 0.00 H new ATOM 220 N ILE A 14 -23.842 6.145 14.848 1.00 0.00 N ATOM 221 CA ILE A 14 -24.541 4.894 14.442 1.00 0.00 C ATOM 222 C ILE A 14 -23.992 3.720 15.256 1.00 0.00 C ATOM 223 O ILE A 14 -24.733 2.893 15.748 1.00 0.00 O ATOM 224 CB ILE A 14 -24.306 4.640 12.952 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.942 5.765 12.135 1.00 0.00 C ATOM 226 CG2 ILE A 14 -24.937 3.304 12.556 1.00 0.00 C ATOM 227 CD1 ILE A 14 -24.530 5.627 10.669 1.00 0.00 C ATOM 0 H ILE A 14 -22.995 6.358 14.322 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.610 4.996 14.627 1.00 0.00 H new ATOM 0 HB ILE A 14 -23.234 4.609 12.755 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -26.028 5.724 12.224 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.626 6.734 12.523 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -24.770 3.123 11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -24.483 2.501 13.137 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -26.008 3.335 12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -24.983 6.429 10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -23.445 5.689 10.589 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -24.868 4.664 10.285 1.00 0.00 H new ATOM 239 N GLY A 15 -22.697 3.641 15.400 1.00 0.00 N ATOM 240 CA GLY A 15 -22.100 2.521 16.182 1.00 0.00 C ATOM 241 C GLY A 15 -22.201 1.225 15.374 1.00 0.00 C ATOM 242 O GLY A 15 -23.118 1.034 14.601 1.00 0.00 O ATOM 0 H GLY A 15 -22.027 4.304 15.010 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.057 2.739 16.412 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.619 2.410 17.134 1.00 0.00 H new ATOM 246 N TYR A 16 -21.262 0.334 15.547 1.00 0.00 N ATOM 247 CA TYR A 16 -21.303 -0.947 14.787 1.00 0.00 C ATOM 248 C TYR A 16 -22.704 -1.552 14.868 1.00 0.00 C ATOM 249 O TYR A 16 -23.410 -1.384 15.843 1.00 0.00 O ATOM 250 CB TYR A 16 -20.289 -1.925 15.377 1.00 0.00 C ATOM 251 CG TYR A 16 -19.663 -2.716 14.256 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.436 -3.631 13.532 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.314 -2.530 13.934 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.861 -4.360 12.487 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.738 -3.260 12.889 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.511 -4.176 12.165 1.00 0.00 C ATOM 257 OH TYR A 16 -17.945 -4.895 11.133 1.00 0.00 O ATOM 0 H TYR A 16 -20.470 0.438 16.181 1.00 0.00 H new ATOM 0 HA TYR A 16 -21.055 -0.753 13.743 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.522 -1.384 15.931 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.779 -2.595 16.083 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.477 -3.774 13.781 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.718 -1.823 14.492 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.458 -5.065 11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.697 -3.117 12.641 1.00 0.00 H new ATOM 0 HH TYR A 16 -17.081 -4.499 10.894 1.00 0.00 H new ATOM 267 N LEU A 17 -23.111 -2.256 13.848 1.00 0.00 N ATOM 268 CA LEU A 17 -24.466 -2.874 13.861 1.00 0.00 C ATOM 269 C LEU A 17 -24.333 -4.399 13.837 1.00 0.00 C ATOM 270 O LEU A 17 -23.936 -4.982 12.847 1.00 0.00 O ATOM 271 CB LEU A 17 -25.245 -2.410 12.628 1.00 0.00 C ATOM 272 CG LEU A 17 -26.648 -3.020 12.649 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.497 -2.314 13.708 1.00 0.00 C ATOM 274 CD2 LEU A 17 -27.297 -2.846 11.275 1.00 0.00 C ATOM 0 H LEU A 17 -22.563 -2.430 13.005 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.997 -2.572 14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -25.310 -1.322 12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.721 -2.709 11.720 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.580 -4.081 12.889 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -28.496 -2.749 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -27.034 -2.437 14.687 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.567 -1.253 13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -28.297 -3.280 11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -27.365 -1.785 11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.692 -3.349 10.521 1.00 0.00 H new ATOM 286 N CYS A 18 -24.663 -5.049 14.919 1.00 0.00 N ATOM 287 CA CYS A 18 -24.557 -6.535 14.960 1.00 0.00 C ATOM 288 C CYS A 18 -25.933 -7.136 15.257 1.00 0.00 C ATOM 289 O CYS A 18 -26.784 -6.500 15.846 1.00 0.00 O ATOM 290 CB CYS A 18 -23.575 -6.946 16.058 1.00 0.00 C ATOM 291 SG CYS A 18 -22.003 -6.087 15.807 1.00 0.00 S ATOM 0 H CYS A 18 -25.002 -4.615 15.777 1.00 0.00 H new ATOM 0 HA CYS A 18 -24.200 -6.900 13.997 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.984 -6.701 17.038 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.420 -8.025 16.038 1.00 0.00 H new ATOM 296 N PRO A 19 -26.147 -8.389 14.835 1.00 0.00 N ATOM 297 CA PRO A 19 -27.417 -9.089 15.051 1.00 0.00 C ATOM 298 C PRO A 19 -27.594 -9.489 16.518 1.00 0.00 C ATOM 299 O PRO A 19 -26.679 -9.393 17.311 1.00 0.00 O ATOM 300 CB PRO A 19 -27.290 -10.339 14.182 1.00 0.00 C ATOM 301 CG PRO A 19 -25.820 -10.569 14.060 1.00 0.00 C ATOM 302 CD PRO A 19 -25.165 -9.217 14.116 1.00 0.00 C ATOM 0 HA PRO A 19 -28.277 -8.468 14.801 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.787 -11.193 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.750 -10.190 13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.460 -11.207 14.867 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.584 -11.075 13.124 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -24.211 -9.255 14.641 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.965 -8.826 13.118 1.00 0.00 H new ATOM 310 N LYS A 20 -28.764 -9.933 16.887 1.00 0.00 N ATOM 311 CA LYS A 20 -28.990 -10.334 18.304 1.00 0.00 C ATOM 312 C LYS A 20 -28.625 -11.810 18.481 1.00 0.00 C ATOM 313 O LYS A 20 -28.413 -12.278 19.582 1.00 0.00 O ATOM 314 CB LYS A 20 -30.461 -10.119 18.665 1.00 0.00 C ATOM 315 CG LYS A 20 -30.783 -8.624 18.604 1.00 0.00 C ATOM 316 CD LYS A 20 -32.200 -8.382 19.129 1.00 0.00 C ATOM 317 CE LYS A 20 -32.576 -6.915 18.921 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.106 -6.112 20.085 1.00 0.00 N ATOM 0 H LYS A 20 -29.571 -10.035 16.271 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.365 -9.728 18.960 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.101 -10.669 17.975 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.663 -10.506 19.664 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.063 -8.062 19.199 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.698 -8.265 17.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.908 -9.027 18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.256 -8.636 20.187 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.126 -6.540 18.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.656 -6.817 18.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.362 -5.114 19.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -32.555 -6.465 20.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -31.073 -6.196 20.170 1.00 0.00 H new ATOM 332 N ASP A 21 -28.545 -12.545 17.406 1.00 0.00 N ATOM 333 CA ASP A 21 -28.187 -13.988 17.518 1.00 0.00 C ATOM 334 C ASP A 21 -26.742 -14.114 18.001 1.00 0.00 C ATOM 335 O ASP A 21 -25.844 -13.489 17.472 1.00 0.00 O ATOM 336 CB ASP A 21 -28.323 -14.656 16.149 1.00 0.00 C ATOM 337 CG ASP A 21 -29.759 -14.502 15.644 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.616 -14.168 16.446 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.978 -14.723 14.465 1.00 0.00 O ATOM 0 H ASP A 21 -28.712 -12.210 16.457 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.856 -14.475 18.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.628 -14.204 15.442 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -28.063 -15.712 16.221 1.00 0.00 H new ATOM 344 N LEU A 22 -26.508 -14.914 19.004 1.00 0.00 N ATOM 345 CA LEU A 22 -25.118 -15.072 19.516 1.00 0.00 C ATOM 346 C LEU A 22 -24.405 -16.173 18.730 1.00 0.00 C ATOM 347 O LEU A 22 -24.843 -17.306 18.689 1.00 0.00 O ATOM 348 CB LEU A 22 -25.154 -15.450 20.997 1.00 0.00 C ATOM 349 CG LEU A 22 -23.725 -15.659 21.501 1.00 0.00 C ATOM 350 CD1 LEU A 22 -22.896 -14.406 21.211 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.745 -15.918 23.008 1.00 0.00 C ATOM 0 H LEU A 22 -27.217 -15.464 19.490 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.582 -14.131 19.395 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.644 -14.664 21.573 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.738 -16.359 21.138 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.283 -16.516 20.993 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.877 -14.553 21.569 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.880 -14.221 20.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.340 -13.550 21.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.726 -16.067 23.365 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.187 -15.062 23.518 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.336 -16.810 23.216 1.00 0.00 H new ATOM 363 N LYS A 23 -23.306 -15.850 18.107 1.00 0.00 N ATOM 364 CA LYS A 23 -22.558 -16.874 17.327 1.00 0.00 C ATOM 365 C LYS A 23 -21.075 -16.790 17.687 1.00 0.00 C ATOM 366 O LYS A 23 -20.357 -15.942 17.197 1.00 0.00 O ATOM 367 CB LYS A 23 -22.742 -16.607 15.832 1.00 0.00 C ATOM 368 CG LYS A 23 -23.849 -17.508 15.290 1.00 0.00 C ATOM 369 CD LYS A 23 -23.434 -18.060 13.925 1.00 0.00 C ATOM 370 CE LYS A 23 -22.333 -19.105 14.112 1.00 0.00 C ATOM 371 NZ LYS A 23 -21.038 -18.557 13.617 1.00 0.00 N ATOM 0 H LYS A 23 -22.893 -14.918 18.105 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.935 -17.869 17.563 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.996 -15.560 15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.810 -16.797 15.300 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.038 -18.327 15.983 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.779 -16.946 15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.293 -18.507 13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.078 -17.251 13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.247 -19.374 15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.586 -20.016 13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.753 -19.065 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.149 -17.545 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.308 -18.678 14.348 1.00 0.00 H new ATOM 385 N PRO A 24 -20.613 -17.690 18.569 1.00 0.00 N ATOM 386 CA PRO A 24 -19.214 -17.720 19.021 1.00 0.00 C ATOM 387 C PRO A 24 -18.239 -18.028 17.885 1.00 0.00 C ATOM 388 O PRO A 24 -18.302 -19.068 17.262 1.00 0.00 O ATOM 389 CB PRO A 24 -19.200 -18.851 20.052 1.00 0.00 C ATOM 390 CG PRO A 24 -20.353 -19.711 19.667 1.00 0.00 C ATOM 391 CD PRO A 24 -21.412 -18.761 19.188 1.00 0.00 C ATOM 0 HA PRO A 24 -18.895 -16.756 19.416 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.262 -19.406 20.022 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.311 -18.467 21.066 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.074 -20.416 18.884 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.706 -20.299 20.514 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.087 -19.231 18.472 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.026 -18.389 20.008 1.00 0.00 H new ATOM 399 N VAL A 25 -17.333 -17.129 17.615 1.00 0.00 N ATOM 400 CA VAL A 25 -16.346 -17.368 16.524 1.00 0.00 C ATOM 401 C VAL A 25 -14.940 -17.451 17.118 1.00 0.00 C ATOM 402 O VAL A 25 -14.661 -16.890 18.159 1.00 0.00 O ATOM 403 CB VAL A 25 -16.396 -16.214 15.520 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.775 -16.157 14.865 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.121 -14.897 16.249 1.00 0.00 C ATOM 0 H VAL A 25 -17.233 -16.239 18.103 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.590 -18.303 16.019 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.641 -16.371 14.750 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.805 -15.334 14.151 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.970 -17.095 14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.535 -16.001 15.630 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.156 -14.073 15.537 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.876 -14.743 17.019 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.134 -14.936 16.711 1.00 0.00 H new ATOM 415 N CYS A 26 -14.049 -18.135 16.457 1.00 0.00 N ATOM 416 CA CYS A 26 -12.656 -18.243 16.975 1.00 0.00 C ATOM 417 C CYS A 26 -11.768 -17.260 16.211 1.00 0.00 C ATOM 418 O CYS A 26 -11.665 -17.322 15.010 1.00 0.00 O ATOM 419 CB CYS A 26 -12.133 -19.667 16.763 1.00 0.00 C ATOM 420 SG CYS A 26 -10.420 -19.776 17.337 1.00 0.00 S ATOM 0 H CYS A 26 -14.225 -18.625 15.580 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.642 -18.011 18.040 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.755 -20.378 17.306 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.191 -19.933 15.708 1.00 0.00 H new ATOM 425 N GLY A 27 -11.135 -16.349 16.895 1.00 0.00 N ATOM 426 CA GLY A 27 -10.262 -15.363 16.195 1.00 0.00 C ATOM 427 C GLY A 27 -8.958 -16.040 15.762 1.00 0.00 C ATOM 428 O GLY A 27 -8.405 -16.860 16.470 1.00 0.00 O ATOM 0 H GLY A 27 -11.183 -16.243 17.908 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.779 -14.959 15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.045 -14.523 16.855 1.00 0.00 H new ATOM 432 N ASP A 28 -8.459 -15.702 14.601 1.00 0.00 N ATOM 433 CA ASP A 28 -7.191 -16.324 14.121 1.00 0.00 C ATOM 434 C ASP A 28 -6.015 -15.791 14.942 1.00 0.00 C ATOM 435 O ASP A 28 -4.910 -16.289 14.852 1.00 0.00 O ATOM 436 CB ASP A 28 -6.982 -15.986 12.643 1.00 0.00 C ATOM 437 CG ASP A 28 -5.730 -16.699 12.128 1.00 0.00 C ATOM 438 OD1 ASP A 28 -5.229 -17.558 12.833 1.00 0.00 O ATOM 439 OD2 ASP A 28 -5.295 -16.372 11.036 1.00 0.00 O ATOM 0 H ASP A 28 -8.876 -15.022 13.965 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.251 -17.406 14.239 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.852 -16.292 12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.878 -14.908 12.517 1.00 0.00 H new ATOM 444 N ASP A 29 -6.242 -14.790 15.746 1.00 0.00 N ATOM 445 CA ASP A 29 -5.134 -14.238 16.574 1.00 0.00 C ATOM 446 C ASP A 29 -5.039 -15.030 17.880 1.00 0.00 C ATOM 447 O ASP A 29 -4.287 -14.687 18.771 1.00 0.00 O ATOM 448 CB ASP A 29 -5.409 -12.767 16.889 1.00 0.00 C ATOM 449 CG ASP A 29 -5.161 -11.923 15.637 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.647 -12.467 14.674 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.490 -10.749 15.665 1.00 0.00 O ATOM 0 H ASP A 29 -7.145 -14.331 15.865 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.195 -14.318 16.026 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.438 -12.642 17.227 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.764 -12.431 17.701 1.00 0.00 H new ATOM 456 N GLY A 30 -5.797 -16.086 18.003 1.00 0.00 N ATOM 457 CA GLY A 30 -5.751 -16.895 19.253 1.00 0.00 C ATOM 458 C GLY A 30 -6.795 -16.365 20.237 1.00 0.00 C ATOM 459 O GLY A 30 -6.755 -16.653 21.417 1.00 0.00 O ATOM 0 H GLY A 30 -6.446 -16.423 17.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.946 -17.944 19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.757 -16.843 19.697 1.00 0.00 H new ATOM 463 N GLN A 31 -7.733 -15.590 19.761 1.00 0.00 N ATOM 464 CA GLN A 31 -8.781 -15.040 20.666 1.00 0.00 C ATOM 465 C GLN A 31 -10.156 -15.548 20.225 1.00 0.00 C ATOM 466 O GLN A 31 -10.304 -16.125 19.166 1.00 0.00 O ATOM 467 CB GLN A 31 -8.757 -13.511 20.599 1.00 0.00 C ATOM 468 CG GLN A 31 -7.430 -12.998 21.162 1.00 0.00 C ATOM 469 CD GLN A 31 -7.304 -11.497 20.888 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.129 -10.920 20.209 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.296 -10.838 21.392 1.00 0.00 N ATOM 0 H GLN A 31 -7.818 -15.314 18.783 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.586 -15.364 21.688 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.880 -13.179 19.568 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.590 -13.098 21.168 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.380 -13.188 22.234 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.598 -13.533 20.704 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.603 -11.323 21.962 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.201 -9.838 21.216 1.00 0.00 H new ATOM 480 N THR A 32 -11.164 -15.335 21.026 1.00 0.00 N ATOM 481 CA THR A 32 -12.527 -15.804 20.649 1.00 0.00 C ATOM 482 C THR A 32 -13.531 -14.673 20.869 1.00 0.00 C ATOM 483 O THR A 32 -13.521 -14.010 21.887 1.00 0.00 O ATOM 484 CB THR A 32 -12.918 -17.002 21.519 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.102 -18.115 21.185 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.387 -17.353 21.278 1.00 0.00 C ATOM 0 H THR A 32 -11.102 -14.857 21.925 1.00 0.00 H new ATOM 0 HA THR A 32 -12.530 -16.100 19.600 1.00 0.00 H new ATOM 0 HB THR A 32 -12.775 -16.749 22.570 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.570 -17.904 20.390 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.664 -18.206 21.898 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.012 -16.498 21.536 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.533 -17.605 20.228 1.00 0.00 H new ATOM 494 N TYR A 33 -14.402 -14.447 19.924 1.00 0.00 N ATOM 495 CA TYR A 33 -15.407 -13.360 20.085 1.00 0.00 C ATOM 496 C TYR A 33 -16.804 -13.975 20.165 1.00 0.00 C ATOM 497 O TYR A 33 -17.179 -14.794 19.350 1.00 0.00 O ATOM 498 CB TYR A 33 -15.323 -12.411 18.888 1.00 0.00 C ATOM 499 CG TYR A 33 -13.901 -11.926 18.734 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.955 -12.724 18.079 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.527 -10.680 19.251 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.635 -12.274 17.938 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.208 -10.231 19.111 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.262 -11.028 18.456 1.00 0.00 C ATOM 505 OH TYR A 33 -9.963 -10.583 18.319 1.00 0.00 O ATOM 0 H TYR A 33 -14.461 -14.968 19.049 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.206 -12.802 20.999 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.645 -12.922 17.981 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.994 -11.565 19.033 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.243 -13.686 17.682 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.256 -10.065 19.758 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.906 -12.888 17.430 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.920 -9.269 19.509 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.537 -10.540 19.201 1.00 0.00 H new ATOM 515 N ASN A 34 -17.576 -13.595 21.145 1.00 0.00 N ATOM 516 CA ASN A 34 -18.943 -14.171 21.276 1.00 0.00 C ATOM 517 C ASN A 34 -19.696 -14.020 19.953 1.00 0.00 C ATOM 518 O ASN A 34 -19.828 -14.958 19.199 1.00 0.00 O ATOM 519 CB ASN A 34 -19.706 -13.457 22.400 1.00 0.00 C ATOM 520 CG ASN A 34 -18.758 -13.185 23.568 1.00 0.00 C ATOM 521 OD1 ASN A 34 -17.958 -14.025 23.927 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.817 -12.035 24.182 1.00 0.00 N ATOM 0 H ASN A 34 -17.320 -12.913 21.859 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.863 -15.230 21.522 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.124 -12.520 22.032 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.543 -14.071 22.733 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.191 -11.842 24.964 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.489 -11.330 23.880 1.00 0.00 H new ATOM 529 N ASN A 35 -20.193 -12.852 19.663 1.00 0.00 N ATOM 530 CA ASN A 35 -20.939 -12.652 18.385 1.00 0.00 C ATOM 531 C ASN A 35 -19.947 -12.422 17.240 1.00 0.00 C ATOM 532 O ASN A 35 -18.902 -11.829 17.426 1.00 0.00 O ATOM 533 CB ASN A 35 -21.853 -11.431 18.534 1.00 0.00 C ATOM 534 CG ASN A 35 -22.533 -11.116 17.201 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.873 -10.864 16.213 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.837 -11.122 17.132 1.00 0.00 N ATOM 0 H ASN A 35 -20.116 -12.024 20.254 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.537 -13.535 18.161 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.606 -11.622 19.299 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.272 -10.571 18.867 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.302 -10.915 16.248 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.391 -11.334 17.962 1.00 0.00 H new ATOM 543 N PRO A 36 -20.287 -12.891 16.025 1.00 0.00 N ATOM 544 CA PRO A 36 -19.428 -12.725 14.843 1.00 0.00 C ATOM 545 C PRO A 36 -19.252 -11.248 14.487 1.00 0.00 C ATOM 546 O PRO A 36 -18.148 -10.766 14.338 1.00 0.00 O ATOM 547 CB PRO A 36 -20.194 -13.461 13.741 1.00 0.00 C ATOM 548 CG PRO A 36 -21.607 -13.448 14.210 1.00 0.00 C ATOM 549 CD PRO A 36 -21.526 -13.613 15.699 1.00 0.00 C ATOM 0 HA PRO A 36 -18.421 -13.111 14.998 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -20.089 -12.959 12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.826 -14.479 13.612 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -22.102 -12.514 13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.181 -14.255 13.755 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.392 -13.184 16.204 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.474 -14.662 15.990 1.00 0.00 H new ATOM 557 N CYS A 37 -20.329 -10.518 14.370 1.00 0.00 N ATOM 558 CA CYS A 37 -20.201 -9.073 14.051 1.00 0.00 C ATOM 559 C CYS A 37 -19.402 -8.413 15.175 1.00 0.00 C ATOM 560 O CYS A 37 -18.707 -7.437 14.972 1.00 0.00 O ATOM 561 CB CYS A 37 -21.591 -8.439 13.957 1.00 0.00 C ATOM 562 SG CYS A 37 -21.439 -6.635 13.947 1.00 0.00 S ATOM 0 H CYS A 37 -21.284 -10.860 14.481 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.694 -8.937 13.096 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -22.095 -8.776 13.051 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -22.204 -8.757 14.800 1.00 0.00 H new ATOM 567 N MET A 38 -19.490 -8.956 16.359 1.00 0.00 N ATOM 568 CA MET A 38 -18.730 -8.386 17.504 1.00 0.00 C ATOM 569 C MET A 38 -17.233 -8.553 17.237 1.00 0.00 C ATOM 570 O MET A 38 -16.402 -7.965 17.901 1.00 0.00 O ATOM 571 CB MET A 38 -19.110 -9.129 18.789 1.00 0.00 C ATOM 572 CG MET A 38 -20.201 -8.349 19.527 1.00 0.00 C ATOM 573 SD MET A 38 -20.640 -9.218 21.053 1.00 0.00 S ATOM 574 CE MET A 38 -22.353 -8.644 21.158 1.00 0.00 C ATOM 0 H MET A 38 -20.058 -9.773 16.582 1.00 0.00 H new ATOM 0 HA MET A 38 -18.968 -7.328 17.618 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.464 -10.132 18.551 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.234 -9.243 19.428 1.00 0.00 H new ATOM 0 HG2 MET A 38 -19.851 -7.343 19.757 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.080 -8.243 18.891 1.00 0.00 H new ATOM 0 HE1 MET A 38 -22.825 -9.067 22.045 1.00 0.00 H new ATOM 0 HE2 MET A 38 -22.369 -7.556 21.223 1.00 0.00 H new ATOM 0 HE3 MET A 38 -22.899 -8.962 20.270 1.00 0.00 H new ATOM 584 N LEU A 39 -16.883 -9.347 16.259 1.00 0.00 N ATOM 585 CA LEU A 39 -15.443 -9.548 15.938 1.00 0.00 C ATOM 586 C LEU A 39 -14.901 -8.273 15.299 1.00 0.00 C ATOM 587 O LEU A 39 -13.973 -7.664 15.794 1.00 0.00 O ATOM 588 CB LEU A 39 -15.295 -10.717 14.960 1.00 0.00 C ATOM 589 CG LEU A 39 -13.846 -10.798 14.477 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.936 -11.128 15.661 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.720 -11.895 13.415 1.00 0.00 C ATOM 0 H LEU A 39 -17.535 -9.865 15.669 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.886 -9.772 16.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.580 -11.650 15.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.965 -10.582 14.111 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.552 -9.841 14.045 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.902 -11.187 15.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.025 -10.348 16.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.231 -12.085 16.091 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.687 -11.952 13.071 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.013 -12.853 13.845 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.370 -11.662 12.572 1.00 0.00 H new ATOM 603 N CYS A 40 -15.486 -7.854 14.213 1.00 0.00 N ATOM 604 CA CYS A 40 -15.016 -6.605 13.556 1.00 0.00 C ATOM 605 C CYS A 40 -15.037 -5.479 14.589 1.00 0.00 C ATOM 606 O CYS A 40 -14.311 -4.509 14.485 1.00 0.00 O ATOM 607 CB CYS A 40 -15.945 -6.259 12.395 1.00 0.00 C ATOM 608 SG CYS A 40 -15.230 -4.895 11.457 1.00 0.00 S ATOM 0 H CYS A 40 -16.267 -8.321 13.753 1.00 0.00 H new ATOM 0 HA CYS A 40 -14.005 -6.738 13.171 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.082 -7.128 11.751 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.930 -5.982 12.771 1.00 0.00 H new ATOM 613 N HIS A 41 -15.860 -5.611 15.594 1.00 0.00 N ATOM 614 CA HIS A 41 -15.928 -4.564 16.651 1.00 0.00 C ATOM 615 C HIS A 41 -14.624 -4.580 17.446 1.00 0.00 C ATOM 616 O HIS A 41 -13.889 -3.614 17.472 1.00 0.00 O ATOM 617 CB HIS A 41 -17.100 -4.862 17.587 1.00 0.00 C ATOM 618 CG HIS A 41 -17.495 -3.605 18.312 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.976 -2.488 17.647 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.485 -3.273 19.645 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.233 -1.545 18.572 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.951 -1.972 19.807 1.00 0.00 N ATOM 0 H HIS A 41 -16.490 -6.402 15.728 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.071 -3.584 16.195 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.946 -5.247 17.017 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.820 -5.635 18.303 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.164 -3.923 20.446 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.620 -0.563 18.344 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -18.055 -1.455 20.680 1.00 0.00 H new ATOM 630 N GLU A 42 -14.326 -5.679 18.085 1.00 0.00 N ATOM 631 CA GLU A 42 -13.060 -5.759 18.863 1.00 0.00 C ATOM 632 C GLU A 42 -11.898 -5.438 17.929 1.00 0.00 C ATOM 633 O GLU A 42 -10.817 -5.079 18.357 1.00 0.00 O ATOM 634 CB GLU A 42 -12.892 -7.172 19.422 1.00 0.00 C ATOM 635 CG GLU A 42 -14.040 -7.484 20.384 1.00 0.00 C ATOM 636 CD GLU A 42 -14.052 -6.456 21.515 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.048 -5.786 21.691 1.00 0.00 O ATOM 638 OE2 GLU A 42 -15.066 -6.355 22.187 1.00 0.00 O ATOM 0 H GLU A 42 -14.902 -6.520 18.101 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.083 -5.050 19.690 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.879 -7.897 18.608 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.937 -7.258 19.940 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.991 -7.465 19.851 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.924 -8.488 20.792 1.00 0.00 H new ATOM 645 N ASN A 43 -12.119 -5.561 16.648 1.00 0.00 N ATOM 646 CA ASN A 43 -11.040 -5.261 15.670 1.00 0.00 C ATOM 647 C ASN A 43 -10.928 -3.747 15.501 1.00 0.00 C ATOM 648 O ASN A 43 -9.868 -3.219 15.231 1.00 0.00 O ATOM 649 CB ASN A 43 -11.379 -5.905 14.324 1.00 0.00 C ATOM 650 CG ASN A 43 -11.269 -7.427 14.449 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.579 -7.927 15.314 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.925 -8.187 13.615 1.00 0.00 N ATOM 0 H ASN A 43 -13.004 -5.858 16.238 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.092 -5.661 16.031 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.387 -5.626 14.018 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.700 -5.542 13.553 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.858 -9.202 13.689 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.504 -7.766 12.889 1.00 0.00 H new ATOM 659 N LEU A 44 -12.013 -3.041 15.668 1.00 0.00 N ATOM 660 CA LEU A 44 -11.961 -1.560 15.529 1.00 0.00 C ATOM 661 C LEU A 44 -11.159 -0.984 16.695 1.00 0.00 C ATOM 662 O LEU A 44 -10.511 0.036 16.573 1.00 0.00 O ATOM 663 CB LEU A 44 -13.381 -0.989 15.556 1.00 0.00 C ATOM 664 CG LEU A 44 -14.118 -1.366 14.267 1.00 0.00 C ATOM 665 CD1 LEU A 44 -15.393 -0.529 14.149 1.00 0.00 C ATOM 666 CD2 LEU A 44 -13.219 -1.096 13.059 1.00 0.00 C ATOM 0 H LEU A 44 -12.930 -3.425 15.894 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.488 -1.295 14.584 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.921 -1.375 16.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.345 0.095 15.661 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.375 -2.425 14.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.919 -0.795 13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.037 -0.724 15.007 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -15.133 0.529 14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.747 -1.366 12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.958 -0.038 13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.310 -1.692 13.142 1.00 0.00 H new ATOM 678 N ILE A 45 -11.196 -1.634 17.827 1.00 0.00 N ATOM 679 CA ILE A 45 -10.432 -1.131 19.002 1.00 0.00 C ATOM 680 C ILE A 45 -8.965 -1.543 18.867 1.00 0.00 C ATOM 681 O ILE A 45 -8.067 -0.743 19.045 1.00 0.00 O ATOM 682 CB ILE A 45 -11.011 -1.720 20.292 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.506 -1.998 20.109 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.814 -0.723 21.434 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.148 -2.272 21.472 1.00 0.00 C ATOM 0 H ILE A 45 -11.723 -2.492 17.988 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.506 -0.044 19.041 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.499 -2.653 20.526 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.989 -1.145 19.633 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.649 -2.854 19.450 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.225 -1.138 22.354 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.750 -0.528 21.567 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.327 0.209 21.196 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.212 -2.470 21.340 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.672 -3.139 21.931 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.018 -1.403 22.117 1.00 0.00 H new ATOM 697 N ARG A 46 -8.714 -2.785 18.550 1.00 0.00 N ATOM 698 CA ARG A 46 -7.303 -3.246 18.401 1.00 0.00 C ATOM 699 C ARG A 46 -6.774 -2.821 17.031 1.00 0.00 C ATOM 700 O ARG A 46 -5.613 -2.502 16.873 1.00 0.00 O ATOM 701 CB ARG A 46 -7.249 -4.771 18.512 1.00 0.00 C ATOM 702 CG ARG A 46 -7.694 -5.206 19.911 1.00 0.00 C ATOM 703 CD ARG A 46 -7.500 -6.716 20.055 1.00 0.00 C ATOM 704 NE ARG A 46 -8.055 -7.169 21.361 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.382 -6.974 22.461 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.141 -7.368 22.546 1.00 0.00 N ATOM 707 NH2 ARG A 46 -7.951 -6.384 23.477 1.00 0.00 N ATOM 0 H ARG A 46 -9.424 -3.499 18.388 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.691 -2.802 19.186 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.894 -5.223 17.758 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.236 -5.123 18.317 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.115 -4.679 20.670 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.740 -4.945 20.070 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.998 -7.236 19.237 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.440 -6.964 19.993 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.963 -7.633 21.395 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.697 -7.829 21.752 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.615 -7.215 23.407 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.921 -6.076 23.410 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.426 -6.231 24.338 1.00 0.00 H new ATOM 721 N GLN A 47 -7.621 -2.814 16.039 1.00 0.00 N ATOM 722 CA GLN A 47 -7.174 -2.412 14.676 1.00 0.00 C ATOM 723 C GLN A 47 -6.102 -3.385 14.182 1.00 0.00 C ATOM 724 O GLN A 47 -5.136 -2.994 13.557 1.00 0.00 O ATOM 725 CB GLN A 47 -6.599 -0.996 14.723 1.00 0.00 C ATOM 726 CG GLN A 47 -7.705 -0.012 15.112 1.00 0.00 C ATOM 727 CD GLN A 47 -7.140 1.410 15.131 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.939 1.600 15.129 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.960 2.424 15.152 1.00 0.00 N ATOM 0 H GLN A 47 -8.606 -3.070 16.114 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.024 -2.434 13.994 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.783 -0.947 15.444 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.183 -0.728 13.752 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.530 -0.077 14.403 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.106 -0.268 16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.968 2.265 15.154 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.594 3.376 15.167 1.00 0.00 H new ATOM 738 N THR A 48 -6.267 -4.650 14.453 1.00 0.00 N ATOM 739 CA THR A 48 -5.258 -5.648 13.999 1.00 0.00 C ATOM 740 C THR A 48 -5.838 -6.472 12.848 1.00 0.00 C ATOM 741 O THR A 48 -5.340 -7.531 12.518 1.00 0.00 O ATOM 742 CB THR A 48 -4.902 -6.578 15.160 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.049 -7.330 15.532 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.424 -5.749 16.354 1.00 0.00 C ATOM 0 H THR A 48 -7.057 -5.036 14.969 1.00 0.00 H new ATOM 0 HA THR A 48 -4.361 -5.129 13.660 1.00 0.00 H new ATOM 0 HB THR A 48 -4.107 -7.256 14.851 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.822 -7.928 16.275 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.171 -6.413 17.180 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.544 -5.174 16.068 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.217 -5.069 16.665 1.00 0.00 H new ATOM 752 N ASN A 49 -6.887 -5.998 12.233 1.00 0.00 N ATOM 753 CA ASN A 49 -7.496 -6.757 11.106 1.00 0.00 C ATOM 754 C ASN A 49 -7.584 -8.238 11.483 1.00 0.00 C ATOM 755 O ASN A 49 -7.017 -9.091 10.830 1.00 0.00 O ATOM 756 CB ASN A 49 -6.628 -6.601 9.855 1.00 0.00 C ATOM 757 CG ASN A 49 -6.504 -5.118 9.499 1.00 0.00 C ATOM 758 OD1 ASN A 49 -7.259 -4.300 9.985 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.577 -4.735 8.665 1.00 0.00 N ATOM 0 H ASN A 49 -7.348 -5.118 12.463 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.495 -6.370 10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.640 -7.027 10.030 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.069 -7.150 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.486 -3.749 8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.943 -5.422 8.257 1.00 0.00 H new ATOM 766 N THR A 50 -8.291 -8.550 12.535 1.00 0.00 N ATOM 767 CA THR A 50 -8.412 -9.974 12.959 1.00 0.00 C ATOM 768 C THR A 50 -9.406 -10.698 12.052 1.00 0.00 C ATOM 769 O THR A 50 -10.383 -10.130 11.605 1.00 0.00 O ATOM 770 CB THR A 50 -8.911 -10.037 14.404 1.00 0.00 C ATOM 771 OG1 THR A 50 -8.118 -9.181 15.216 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.810 -11.474 14.921 1.00 0.00 C ATOM 0 H THR A 50 -8.790 -7.880 13.120 1.00 0.00 H new ATOM 0 HA THR A 50 -7.436 -10.454 12.887 1.00 0.00 H new ATOM 0 HB THR A 50 -9.951 -9.713 14.443 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.664 -8.431 15.532 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.166 -11.516 15.950 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.421 -12.128 14.299 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.771 -11.802 14.883 1.00 0.00 H new ATOM 780 N HIS A 51 -9.171 -11.952 11.785 1.00 0.00 N ATOM 781 CA HIS A 51 -10.105 -12.718 10.916 1.00 0.00 C ATOM 782 C HIS A 51 -10.695 -13.880 11.716 1.00 0.00 C ATOM 783 O HIS A 51 -10.307 -14.132 12.839 1.00 0.00 O ATOM 784 CB HIS A 51 -9.346 -13.263 9.705 1.00 0.00 C ATOM 785 CG HIS A 51 -8.396 -12.213 9.196 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.825 -11.128 8.449 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.037 -12.068 9.322 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.742 -10.384 8.156 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.627 -10.912 8.665 1.00 0.00 N ATOM 0 H HIS A 51 -8.370 -12.480 12.132 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.907 -12.064 10.573 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.797 -14.163 9.981 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.047 -13.546 8.920 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.385 -12.748 9.851 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.772 -9.471 7.579 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.678 -10.546 8.589 1.00 0.00 H new ATOM 797 N ILE A 52 -11.631 -14.588 11.150 1.00 0.00 N ATOM 798 CA ILE A 52 -12.240 -15.730 11.885 1.00 0.00 C ATOM 799 C ILE A 52 -11.401 -16.989 11.668 1.00 0.00 C ATOM 800 O ILE A 52 -11.146 -17.402 10.554 1.00 0.00 O ATOM 801 CB ILE A 52 -13.662 -15.970 11.377 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.476 -14.680 11.508 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.314 -17.074 12.212 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.963 -14.991 11.328 1.00 0.00 C ATOM 0 H ILE A 52 -12.000 -14.426 10.213 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.271 -15.495 12.949 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.632 -16.272 10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.304 -14.227 12.485 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.152 -13.956 10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.329 -17.250 11.854 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.733 -17.991 12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.346 -16.768 13.258 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.541 -14.072 11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.127 -15.424 10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.282 -15.699 12.093 1.00 0.00 H new ATOM 816 N ARG A 53 -10.975 -17.596 12.735 1.00 0.00 N ATOM 817 CA ARG A 53 -10.151 -18.831 12.636 1.00 0.00 C ATOM 818 C ARG A 53 -11.060 -20.026 12.363 1.00 0.00 C ATOM 819 O ARG A 53 -10.844 -20.795 11.447 1.00 0.00 O ATOM 820 CB ARG A 53 -9.430 -19.047 13.967 1.00 0.00 C ATOM 821 CG ARG A 53 -8.410 -20.173 13.820 1.00 0.00 C ATOM 822 CD ARG A 53 -7.458 -20.159 15.017 1.00 0.00 C ATOM 823 NE ARG A 53 -6.544 -21.333 14.936 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.268 -21.183 15.158 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.792 -21.340 16.364 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.467 -20.876 14.176 1.00 0.00 N ATOM 0 H ARG A 53 -11.165 -17.285 13.688 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.428 -18.730 11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.931 -18.128 14.275 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.151 -19.295 14.746 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.920 -21.134 13.759 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.848 -20.051 12.894 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.881 -19.235 15.026 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.025 -20.189 15.947 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.917 -22.254 14.707 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.418 -21.580 17.132 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.794 -21.223 16.538 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.839 -20.753 13.234 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.469 -20.759 14.350 1.00 0.00 H new ATOM 840 N SER A 54 -12.075 -20.187 13.161 1.00 0.00 N ATOM 841 CA SER A 54 -13.008 -21.329 12.970 1.00 0.00 C ATOM 842 C SER A 54 -14.331 -21.017 13.669 1.00 0.00 C ATOM 843 O SER A 54 -14.356 -20.463 14.751 1.00 0.00 O ATOM 844 CB SER A 54 -12.396 -22.594 13.575 1.00 0.00 C ATOM 845 OG SER A 54 -11.270 -22.991 12.807 1.00 0.00 O ATOM 0 H SER A 54 -12.300 -19.572 13.943 1.00 0.00 H new ATOM 0 HA SER A 54 -13.184 -21.487 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.098 -22.409 14.607 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.136 -23.394 13.596 1.00 0.00 H new ATOM 0 HG SER A 54 -11.211 -22.435 12.002 1.00 0.00 H new ATOM 851 N THR A 55 -15.432 -21.365 13.064 1.00 0.00 N ATOM 852 CA THR A 55 -16.748 -21.082 13.699 1.00 0.00 C ATOM 853 C THR A 55 -16.760 -21.643 15.122 1.00 0.00 C ATOM 854 O THR A 55 -16.134 -22.643 15.411 1.00 0.00 O ATOM 855 CB THR A 55 -17.865 -21.735 12.882 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.828 -23.143 13.076 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.669 -21.417 11.400 1.00 0.00 C ATOM 0 H THR A 55 -15.477 -21.832 12.159 1.00 0.00 H new ATOM 0 HA THR A 55 -16.908 -20.004 13.732 1.00 0.00 H new ATOM 0 HB THR A 55 -18.830 -21.347 13.209 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.544 -23.564 12.555 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.465 -21.883 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.697 -20.337 11.253 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.705 -21.804 11.069 1.00 0.00 H new ATOM 865 N GLY A 56 -17.467 -21.004 16.011 1.00 0.00 N ATOM 866 CA GLY A 56 -17.520 -21.495 17.416 1.00 0.00 C ATOM 867 C GLY A 56 -16.373 -20.877 18.214 1.00 0.00 C ATOM 868 O GLY A 56 -15.436 -20.338 17.661 1.00 0.00 O ATOM 0 H GLY A 56 -18.011 -20.162 15.825 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.476 -21.232 17.869 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.447 -22.582 17.436 1.00 0.00 H new ATOM 872 N LYS A 57 -16.443 -20.956 19.511 1.00 0.00 N ATOM 873 CA LYS A 57 -15.359 -20.378 20.354 1.00 0.00 C ATOM 874 C LYS A 57 -14.056 -21.135 20.088 1.00 0.00 C ATOM 875 O LYS A 57 -14.065 -22.302 19.753 1.00 0.00 O ATOM 876 CB LYS A 57 -15.734 -20.512 21.831 1.00 0.00 C ATOM 877 CG LYS A 57 -16.962 -19.650 22.129 1.00 0.00 C ATOM 878 CD LYS A 57 -17.174 -19.570 23.642 1.00 0.00 C ATOM 879 CE LYS A 57 -18.488 -18.842 23.932 1.00 0.00 C ATOM 880 NZ LYS A 57 -18.219 -17.657 24.795 1.00 0.00 N ATOM 0 H LYS A 57 -17.205 -21.396 20.026 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.227 -19.324 20.109 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.942 -21.555 22.071 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.898 -20.202 22.458 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.826 -18.650 21.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.843 -20.076 21.650 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.198 -20.572 24.071 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.342 -19.043 24.110 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.955 -18.527 22.999 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.187 -19.515 24.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.112 -17.162 24.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.791 -17.969 25.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.566 -17.012 24.306 1.00 0.00 H new ATOM 894 N CYS A 58 -12.936 -20.482 20.235 1.00 0.00 N ATOM 895 CA CYS A 58 -11.637 -21.173 19.989 1.00 0.00 C ATOM 896 C CYS A 58 -11.548 -22.418 20.872 1.00 0.00 C ATOM 897 O CYS A 58 -10.807 -23.338 20.593 1.00 0.00 O ATOM 898 CB CYS A 58 -10.482 -20.228 20.327 1.00 0.00 C ATOM 899 SG CYS A 58 -10.445 -18.864 19.138 1.00 0.00 S ATOM 0 H CYS A 58 -12.863 -19.504 20.514 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.574 -21.463 18.940 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.601 -19.839 21.338 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.537 -20.770 20.303 1.00 0.00 H new ATOM 904 N GLU A 59 -12.298 -22.452 21.940 1.00 0.00 N ATOM 905 CA GLU A 59 -12.255 -23.636 22.843 1.00 0.00 C ATOM 906 C GLU A 59 -13.114 -24.760 22.258 1.00 0.00 C ATOM 907 O GLU A 59 -13.027 -25.899 22.673 1.00 0.00 O ATOM 908 CB GLU A 59 -12.791 -23.247 24.223 1.00 0.00 C ATOM 909 CG GLU A 59 -13.071 -24.511 25.039 1.00 0.00 C ATOM 910 CD GLU A 59 -13.670 -24.124 26.392 1.00 0.00 C ATOM 911 OE1 GLU A 59 -14.175 -23.018 26.500 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.614 -24.939 27.298 1.00 0.00 O ATOM 0 H GLU A 59 -12.938 -21.711 22.226 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.225 -23.981 22.938 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.066 -22.620 24.742 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.703 -22.660 24.118 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.759 -25.161 24.498 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.149 -25.074 25.185 1.00 0.00 H new ATOM 919 N GLU A 60 -13.945 -24.453 21.300 1.00 0.00 N ATOM 920 CA GLU A 60 -14.805 -25.511 20.696 1.00 0.00 C ATOM 921 C GLU A 60 -14.045 -26.194 19.560 1.00 0.00 C ATOM 922 O GLU A 60 -14.274 -27.346 19.248 1.00 0.00 O ATOM 923 CB GLU A 60 -16.086 -24.884 20.140 1.00 0.00 C ATOM 924 CG GLU A 60 -16.461 -23.657 20.972 1.00 0.00 C ATOM 925 CD GLU A 60 -17.968 -23.413 20.862 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.481 -23.482 19.757 1.00 0.00 O ATOM 927 OE2 GLU A 60 -18.582 -23.161 21.885 1.00 0.00 O ATOM 0 H GLU A 60 -14.066 -23.518 20.910 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.064 -26.243 21.461 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.940 -24.599 19.098 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.897 -25.612 20.161 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.181 -23.811 22.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.913 -22.783 20.620 1.00 0.00 H new ATOM 934 N SER A 61 -13.141 -25.491 18.936 1.00 0.00 N ATOM 935 CA SER A 61 -12.366 -26.096 17.817 1.00 0.00 C ATOM 936 C SER A 61 -11.505 -27.244 18.352 1.00 0.00 C ATOM 937 O SER A 61 -10.933 -28.006 17.598 1.00 0.00 O ATOM 938 CB SER A 61 -11.466 -25.032 17.188 1.00 0.00 C ATOM 939 OG SER A 61 -12.216 -23.846 16.973 1.00 0.00 O ATOM 0 H SER A 61 -12.905 -24.523 19.153 1.00 0.00 H new ATOM 0 HA SER A 61 -13.054 -26.481 17.065 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.618 -24.826 17.841 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.061 -25.395 16.244 1.00 0.00 H new ATOM 0 HG SER A 61 -11.611 -23.117 16.723 1.00 0.00 H new ATOM 945 N SER A 62 -11.410 -27.374 19.647 1.00 0.00 N ATOM 946 CA SER A 62 -10.588 -28.472 20.229 1.00 0.00 C ATOM 947 C SER A 62 -11.376 -29.160 21.345 1.00 0.00 C ATOM 948 O SER A 62 -11.931 -28.517 22.213 1.00 0.00 O ATOM 949 CB SER A 62 -9.293 -27.893 20.801 1.00 0.00 C ATOM 950 OG SER A 62 -8.614 -27.161 19.791 1.00 0.00 O ATOM 0 H SER A 62 -11.867 -26.767 20.327 1.00 0.00 H new ATOM 0 HA SER A 62 -10.348 -29.198 19.452 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.515 -27.244 21.648 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.657 -28.696 21.173 1.00 0.00 H new ATOM 0 HG SER A 62 -7.785 -26.789 20.158 1.00 0.00 H new ATOM 956 N THR A 63 -11.431 -30.464 21.330 1.00 0.00 N ATOM 957 CA THR A 63 -12.183 -31.192 22.391 1.00 0.00 C ATOM 958 C THR A 63 -11.664 -30.769 23.767 1.00 0.00 C ATOM 959 O THR A 63 -10.516 -30.400 23.921 1.00 0.00 O ATOM 960 CB THR A 63 -11.989 -32.699 22.213 1.00 0.00 C ATOM 961 OG1 THR A 63 -12.412 -33.372 23.391 1.00 0.00 O ATOM 962 CG2 THR A 63 -10.512 -32.997 21.953 1.00 0.00 C ATOM 0 H THR A 63 -10.987 -31.057 20.628 1.00 0.00 H new ATOM 0 HA THR A 63 -13.243 -30.951 22.313 1.00 0.00 H new ATOM 0 HB THR A 63 -12.581 -33.045 21.366 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.237 -33.868 23.206 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.374 -34.071 21.826 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.190 -32.481 21.049 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.917 -32.652 22.799 1.00 0.00 H new ATOM 970 N PRO A 64 -12.534 -30.825 24.786 1.00 0.00 N ATOM 971 CA PRO A 64 -12.174 -30.449 26.159 1.00 0.00 C ATOM 972 C PRO A 64 -11.232 -31.473 26.801 1.00 0.00 C ATOM 973 O PRO A 64 -11.348 -32.662 26.578 1.00 0.00 O ATOM 974 CB PRO A 64 -13.515 -30.445 26.892 1.00 0.00 C ATOM 975 CG PRO A 64 -14.377 -31.378 26.110 1.00 0.00 C ATOM 976 CD PRO A 64 -13.938 -31.260 24.677 1.00 0.00 C ATOM 0 HA PRO A 64 -11.648 -29.495 26.197 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.403 -30.779 27.923 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.945 -29.444 26.926 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.265 -32.402 26.467 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.430 -31.116 26.217 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.025 -32.210 24.150 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.542 -30.536 24.130 1.00 0.00 H new ATOM 984 N GLY A 65 -10.302 -31.020 27.597 1.00 0.00 N ATOM 985 CA GLY A 65 -9.358 -31.967 28.253 1.00 0.00 C ATOM 986 C GLY A 65 -8.156 -32.210 27.337 1.00 0.00 C ATOM 987 O GLY A 65 -7.817 -31.386 26.510 1.00 0.00 O ATOM 0 H GLY A 65 -10.156 -30.036 27.821 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.024 -31.561 29.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.862 -32.910 28.466 1.00 0.00 H new ATOM 991 N THR A 66 -7.511 -33.335 27.478 1.00 0.00 N ATOM 992 CA THR A 66 -6.332 -33.631 26.616 1.00 0.00 C ATOM 993 C THR A 66 -6.518 -34.997 25.951 1.00 0.00 C ATOM 994 O THR A 66 -7.207 -35.858 26.462 1.00 0.00 O ATOM 995 CB THR A 66 -5.063 -33.650 27.474 1.00 0.00 C ATOM 996 OG1 THR A 66 -5.042 -34.835 28.257 1.00 0.00 O ATOM 997 CG2 THR A 66 -5.050 -32.428 28.394 1.00 0.00 C ATOM 0 H THR A 66 -7.749 -34.062 28.153 1.00 0.00 H new ATOM 0 HA THR A 66 -6.240 -32.862 25.849 1.00 0.00 H new ATOM 0 HB THR A 66 -4.185 -33.625 26.828 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.230 -34.850 28.806 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.147 -32.442 29.004 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.067 -31.519 27.792 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.926 -32.451 29.042 1.00 0.00 H new ATOM 1005 N THR A 67 -5.908 -35.202 24.815 1.00 0.00 N ATOM 1006 CA THR A 67 -6.051 -36.512 24.119 1.00 0.00 C ATOM 1007 C THR A 67 -5.510 -37.629 25.013 1.00 0.00 C ATOM 1008 O THR A 67 -5.918 -38.769 24.912 1.00 0.00 O ATOM 1009 CB THR A 67 -5.262 -36.480 22.807 1.00 0.00 C ATOM 1010 OG1 THR A 67 -3.877 -36.346 23.095 1.00 0.00 O ATOM 1011 CG2 THR A 67 -5.726 -35.296 21.958 1.00 0.00 C ATOM 0 H THR A 67 -5.318 -34.520 24.340 1.00 0.00 H new ATOM 0 HA THR A 67 -7.104 -36.697 23.907 1.00 0.00 H new ATOM 0 HB THR A 67 -5.432 -37.405 22.257 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.369 -36.327 22.257 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.163 -35.275 21.025 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.789 -35.400 21.739 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.557 -34.368 22.504 1.00 0.00 H new ATOM 1019 N ALA A 68 -4.596 -37.312 25.888 1.00 0.00 N ATOM 1020 CA ALA A 68 -4.032 -38.358 26.788 1.00 0.00 C ATOM 1021 C ALA A 68 -5.160 -38.988 27.607 1.00 0.00 C ATOM 1022 O ALA A 68 -5.118 -40.154 27.946 1.00 0.00 O ATOM 1023 CB ALA A 68 -3.009 -37.722 27.731 1.00 0.00 C ATOM 0 H ALA A 68 -4.215 -36.375 26.019 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.544 -39.128 26.190 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.596 -38.487 28.389 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.205 -37.274 27.147 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.495 -36.952 28.330 1.00 0.00 H new ATOM 1029 N ALA A 69 -6.171 -38.225 27.926 1.00 0.00 N ATOM 1030 CA ALA A 69 -7.300 -38.782 28.722 1.00 0.00 C ATOM 1031 C ALA A 69 -7.968 -39.913 27.938 1.00 0.00 C ATOM 1032 O ALA A 69 -8.382 -40.910 28.498 1.00 0.00 O ATOM 1033 CB ALA A 69 -8.324 -37.679 28.996 1.00 0.00 C ATOM 0 H ALA A 69 -6.263 -37.242 27.670 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.921 -39.169 29.668 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.150 -38.086 29.578 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.849 -36.872 29.555 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.703 -37.291 28.050 1.00 0.00 H new ATOM 1039 N SER A 70 -8.076 -39.769 26.645 1.00 0.00 N ATOM 1040 CA SER A 70 -8.717 -40.836 25.827 1.00 0.00 C ATOM 1041 C SER A 70 -8.042 -42.177 26.117 1.00 0.00 C ATOM 1042 O SER A 70 -8.674 -43.213 26.131 1.00 0.00 O ATOM 1043 CB SER A 70 -8.566 -40.500 24.342 1.00 0.00 C ATOM 1044 OG SER A 70 -9.084 -39.201 24.096 1.00 0.00 O ATOM 0 H SER A 70 -7.748 -38.958 26.120 1.00 0.00 H new ATOM 0 HA SER A 70 -9.775 -40.900 26.080 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.516 -40.545 24.053 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.096 -41.235 23.736 1.00 0.00 H new ATOM 0 HG SER A 70 -8.986 -38.984 23.145 1.00 0.00 H new ATOM 1050 N MET A 71 -6.759 -42.163 26.350 1.00 0.00 N ATOM 1051 CA MET A 71 -6.039 -43.434 26.642 1.00 0.00 C ATOM 1052 C MET A 71 -6.546 -44.015 27.963 1.00 0.00 C ATOM 1053 O MET A 71 -6.811 -43.296 28.906 1.00 0.00 O ATOM 1054 CB MET A 71 -4.538 -43.154 26.750 1.00 0.00 C ATOM 1055 CG MET A 71 -3.781 -44.474 26.903 1.00 0.00 C ATOM 1056 SD MET A 71 -2.019 -44.136 27.145 1.00 0.00 S ATOM 1057 CE MET A 71 -1.831 -45.022 28.711 1.00 0.00 C ATOM 0 H MET A 71 -6.177 -41.325 26.351 1.00 0.00 H new ATOM 0 HA MET A 71 -6.219 -44.148 25.839 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.191 -42.625 25.862 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.339 -42.507 27.605 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.174 -45.035 27.751 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.925 -45.093 26.017 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.799 -44.943 29.052 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.494 -44.586 29.458 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.087 -46.072 28.568 1.00 0.00 H new ATOM 1067 N PRO A 72 -6.685 -45.348 28.027 1.00 0.00 N ATOM 1068 CA PRO A 72 -7.163 -46.038 29.233 1.00 0.00 C ATOM 1069 C PRO A 72 -6.146 -45.963 30.375 1.00 0.00 C ATOM 1070 O PRO A 72 -4.955 -46.080 30.166 1.00 0.00 O ATOM 1071 CB PRO A 72 -7.329 -47.487 28.773 1.00 0.00 C ATOM 1072 CG PRO A 72 -6.393 -47.623 27.620 1.00 0.00 C ATOM 1073 CD PRO A 72 -6.387 -46.287 26.932 1.00 0.00 C ATOM 0 HA PRO A 72 -8.078 -45.593 29.623 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.081 -48.187 29.570 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.357 -47.694 28.476 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.393 -47.892 27.959 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.722 -48.410 26.941 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.423 -46.075 26.470 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.136 -46.237 26.142 1.00 0.00 H new ATOM 1081 N PRO A 73 -6.634 -45.762 31.608 1.00 0.00 N ATOM 1082 CA PRO A 73 -5.776 -45.666 32.797 1.00 0.00 C ATOM 1083 C PRO A 73 -5.155 -47.019 33.161 1.00 0.00 C ATOM 1084 O PRO A 73 -5.480 -48.038 32.585 1.00 0.00 O ATOM 1085 CB PRO A 73 -6.738 -45.221 33.897 1.00 0.00 C ATOM 1086 CG PRO A 73 -8.078 -45.689 33.439 1.00 0.00 C ATOM 1087 CD PRO A 73 -8.061 -45.611 31.939 1.00 0.00 C ATOM 0 HA PRO A 73 -4.938 -44.986 32.643 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.472 -45.661 34.858 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.719 -44.139 34.026 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.269 -46.709 33.773 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.870 -45.065 33.852 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.664 -46.399 31.488 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.459 -44.661 31.581 1.00 0.00 H new ATOM 1095 N SER A 74 -4.261 -47.033 34.112 1.00 0.00 N ATOM 1096 CA SER A 74 -3.619 -48.317 34.511 1.00 0.00 C ATOM 1097 C SER A 74 -4.447 -48.986 35.611 1.00 0.00 C ATOM 1098 O SER A 74 -4.172 -50.099 36.016 1.00 0.00 O ATOM 1099 CB SER A 74 -2.208 -48.039 35.034 1.00 0.00 C ATOM 1100 OG SER A 74 -1.474 -47.320 34.054 1.00 0.00 O ATOM 0 H SER A 74 -3.948 -46.211 34.629 1.00 0.00 H new ATOM 0 HA SER A 74 -3.565 -48.978 33.646 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.258 -47.466 35.960 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.703 -48.977 35.267 1.00 0.00 H new ATOM 0 HG SER A 74 -0.571 -47.140 34.389 1.00 0.00 H new ATOM 1106 N ASP A 75 -5.458 -48.321 36.097 1.00 0.00 N ATOM 1107 CA ASP A 75 -6.300 -48.923 37.169 1.00 0.00 C ATOM 1108 C ASP A 75 -7.330 -49.863 36.539 1.00 0.00 C ATOM 1109 O ASP A 75 -7.839 -50.762 37.180 1.00 0.00 O ATOM 1110 CB ASP A 75 -7.020 -47.814 37.936 1.00 0.00 C ATOM 1111 CG ASP A 75 -5.988 -46.937 38.649 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -4.856 -47.371 38.773 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -6.350 -45.845 39.057 1.00 0.00 O ATOM 0 H ASP A 75 -5.738 -47.387 35.798 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.668 -49.485 37.856 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.615 -47.210 37.251 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.709 -48.247 38.661 1.00 0.00 H new ATOM 1118 N GLU A 76 -7.642 -49.662 35.288 1.00 0.00 N ATOM 1119 CA GLU A 76 -8.638 -50.542 34.617 1.00 0.00 C ATOM 1120 C GLU A 76 -8.842 -50.073 33.175 1.00 0.00 C ATOM 1121 O GLU A 76 -8.409 -48.976 32.864 1.00 0.00 O ATOM 1122 CB GLU A 76 -9.969 -50.475 35.368 1.00 0.00 C ATOM 1123 CG GLU A 76 -10.971 -51.429 34.716 1.00 0.00 C ATOM 1124 CD GLU A 76 -12.314 -51.335 35.442 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -12.424 -50.512 36.336 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -13.209 -52.086 35.092 1.00 0.00 O ATOM 1127 OXT GLU A 76 -9.428 -50.818 32.407 1.00 0.00 O ATOM 0 H GLU A 76 -7.249 -48.925 34.702 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.273 -51.569 34.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.822 -50.744 36.414 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.357 -49.457 35.352 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.097 -51.177 33.663 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.595 -52.451 34.756 1.00 0.00 H new TER 1134 GLU A 76