USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 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 70 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 THR OG1 : rot 119:sc= 0.277 USER MOD Set 2.2: A 50 THR OG1 : rot -120:sc= 0.922 USER MOD Set 3.1: A 31 GLN : amide:sc= -0.561 K(o=-5.7,f=-10!) USER MOD Set 3.2: A 33 TYR OH : rot 132:sc= -5.16! USER MOD Set 4.1: A 2 SER OG : rot -164:sc= 0.374 USER MOD Set 4.2: A 51 HIS : no HD1:sc= -3.11! C(o=-2.7!,f=-16!) USER MOD Single : A 1 ASP N :NH3+ -147:sc= 0.0375 (180deg=-0.749) USER MOD Single : A 4 MET CE :methyl -149:sc= -0.626! (180deg=-2.95!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 TYR OH : rot -155:sc= 0.664 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -30:sc= 0.36 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.967 F(o=-2.6!,f=-0.97) USER MOD Single : A 35 ASN : amide:sc= -10.2! C(o=-10!,f=-23!) USER MOD Single : A 38 MET CE :methyl -114:sc= -0.0198 (180deg=-0.193) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 43 ASN : amide:sc= -5.14! C(o=-5.1!,f=-7.6!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 54 SER OG : rot -5:sc= 0.288! 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 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 67 THR OG1 : rot 86:sc= -0.176! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.292 -11.540 9.335 1.00 0.00 N ATOM 2 CA ASP A 1 -15.859 -11.935 9.234 1.00 0.00 C ATOM 3 C ASP A 1 -15.023 -10.724 8.812 1.00 0.00 C ATOM 4 O ASP A 1 -15.539 -9.643 8.608 1.00 0.00 O ATOM 5 CB ASP A 1 -15.706 -13.045 8.191 1.00 0.00 C ATOM 6 CG ASP A 1 -16.425 -14.305 8.677 1.00 0.00 C ATOM 7 OD1 ASP A 1 -16.759 -14.359 9.849 1.00 0.00 O ATOM 8 OD2 ASP A 1 -16.631 -15.196 7.869 1.00 0.00 O ATOM 0 H1 ASP A 1 -17.750 -12.086 10.092 1.00 0.00 H new ATOM 0 H2 ASP A 1 -17.358 -10.525 9.552 1.00 0.00 H new ATOM 0 H3 ASP A 1 -17.770 -11.733 8.432 1.00 0.00 H new ATOM 0 HA ASP A 1 -15.515 -12.296 10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -16.122 -12.722 7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -14.650 -13.258 8.023 1.00 0.00 H new ATOM 15 N SER A 2 -13.737 -10.897 8.679 1.00 0.00 N ATOM 16 CA SER A 2 -12.870 -9.756 8.271 1.00 0.00 C ATOM 17 C SER A 2 -13.386 -9.170 6.956 1.00 0.00 C ATOM 18 O SER A 2 -13.248 -7.992 6.692 1.00 0.00 O ATOM 19 CB SER A 2 -11.435 -10.250 8.078 1.00 0.00 C ATOM 20 OG SER A 2 -10.746 -10.196 9.318 1.00 0.00 O ATOM 0 H SER A 2 -13.249 -11.779 8.835 1.00 0.00 H new ATOM 0 HA SER A 2 -12.890 -8.989 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.439 -11.271 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.923 -9.634 7.338 1.00 0.00 H new ATOM 0 HG SER A 2 -9.781 -10.258 9.159 1.00 0.00 H new ATOM 26 N GLU A 3 -13.983 -9.985 6.130 1.00 0.00 N ATOM 27 CA GLU A 3 -14.510 -9.477 4.834 1.00 0.00 C ATOM 28 C GLU A 3 -15.511 -8.354 5.101 1.00 0.00 C ATOM 29 O GLU A 3 -15.766 -7.521 4.253 1.00 0.00 O ATOM 30 CB GLU A 3 -15.207 -10.615 4.085 1.00 0.00 C ATOM 31 CG GLU A 3 -14.328 -11.070 2.919 1.00 0.00 C ATOM 32 CD GLU A 3 -14.953 -12.301 2.261 1.00 0.00 C ATOM 33 OE1 GLU A 3 -16.167 -12.412 2.290 1.00 0.00 O ATOM 34 OE2 GLU A 3 -14.207 -13.112 1.738 1.00 0.00 O ATOM 0 H GLU A 3 -14.128 -10.981 6.298 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.687 -9.096 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.394 -11.449 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.177 -10.281 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.227 -10.266 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.325 -11.304 3.275 1.00 0.00 H new ATOM 41 N MET A 4 -16.077 -8.321 6.275 1.00 0.00 N ATOM 42 CA MET A 4 -17.058 -7.247 6.598 1.00 0.00 C ATOM 43 C MET A 4 -16.303 -5.954 6.903 1.00 0.00 C ATOM 44 O MET A 4 -16.816 -4.867 6.726 1.00 0.00 O ATOM 45 CB MET A 4 -17.884 -7.659 7.818 1.00 0.00 C ATOM 46 CG MET A 4 -18.519 -9.028 7.566 1.00 0.00 C ATOM 47 SD MET A 4 -19.862 -8.859 6.365 1.00 0.00 S ATOM 48 CE MET A 4 -20.818 -7.612 7.262 1.00 0.00 C ATOM 0 H MET A 4 -15.903 -8.991 7.025 1.00 0.00 H new ATOM 0 HA MET A 4 -17.724 -7.091 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.250 -7.698 8.704 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.659 -6.917 8.013 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.769 -9.725 7.193 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.902 -9.441 8.500 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.878 -7.740 7.044 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.652 -7.727 8.333 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.501 -6.617 6.950 1.00 0.00 H new ATOM 58 N CYS A 5 -15.085 -6.063 7.358 1.00 0.00 N ATOM 59 CA CYS A 5 -14.294 -4.841 7.672 1.00 0.00 C ATOM 60 C CYS A 5 -13.674 -4.300 6.383 1.00 0.00 C ATOM 61 O CYS A 5 -13.209 -3.178 6.327 1.00 0.00 O ATOM 62 CB CYS A 5 -13.184 -5.188 8.666 1.00 0.00 C ATOM 63 SG CYS A 5 -13.791 -6.402 9.855 1.00 0.00 S ATOM 0 H CYS A 5 -14.604 -6.946 7.526 1.00 0.00 H new ATOM 0 HA CYS A 5 -14.946 -4.086 8.111 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.319 -5.585 8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -12.854 -4.289 9.186 1.00 0.00 H new ATOM 68 N LYS A 6 -13.660 -5.090 5.345 1.00 0.00 N ATOM 69 CA LYS A 6 -13.070 -4.622 4.060 1.00 0.00 C ATOM 70 C LYS A 6 -13.762 -3.331 3.618 1.00 0.00 C ATOM 71 O LYS A 6 -13.202 -2.535 2.890 1.00 0.00 O ATOM 72 CB LYS A 6 -13.263 -5.696 2.988 1.00 0.00 C ATOM 73 CG LYS A 6 -12.412 -6.918 3.332 1.00 0.00 C ATOM 74 CD LYS A 6 -12.378 -7.871 2.135 1.00 0.00 C ATOM 75 CE LYS A 6 -11.495 -9.076 2.465 1.00 0.00 C ATOM 76 NZ LYS A 6 -11.194 -9.827 1.214 1.00 0.00 N ATOM 0 H LYS A 6 -14.032 -6.040 5.331 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.005 -4.434 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.314 -5.978 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.979 -5.305 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.400 -6.608 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.823 -7.427 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.388 -8.203 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.992 -7.354 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.569 -8.744 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.000 -9.726 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.594 -10.646 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.082 -10.155 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.696 -9.204 0.547 1.00 0.00 H new ATOM 90 N ASP A 7 -14.976 -3.117 4.046 1.00 0.00 N ATOM 91 CA ASP A 7 -15.696 -1.877 3.642 1.00 0.00 C ATOM 92 C ASP A 7 -16.750 -1.522 4.694 1.00 0.00 C ATOM 93 O ASP A 7 -17.933 -1.502 4.415 1.00 0.00 O ATOM 94 CB ASP A 7 -16.383 -2.102 2.294 1.00 0.00 C ATOM 95 CG ASP A 7 -17.095 -0.818 1.864 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.871 0.200 2.498 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.851 -0.874 0.908 1.00 0.00 O ATOM 0 H ASP A 7 -15.499 -3.745 4.656 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.980 -1.059 3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.648 -2.392 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.100 -2.920 2.371 1.00 0.00 H new ATOM 102 N TYR A 8 -16.335 -1.233 5.896 1.00 0.00 N ATOM 103 CA TYR A 8 -17.321 -0.872 6.953 1.00 0.00 C ATOM 104 C TYR A 8 -17.024 0.543 7.461 1.00 0.00 C ATOM 105 O TYR A 8 -16.043 1.153 7.084 1.00 0.00 O ATOM 106 CB TYR A 8 -17.233 -1.877 8.111 1.00 0.00 C ATOM 107 CG TYR A 8 -16.047 -1.555 8.991 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.746 -1.765 8.519 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.249 -1.045 10.279 1.00 0.00 C ATOM 110 CE1 TYR A 8 -13.648 -1.465 9.334 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.152 -0.745 11.094 1.00 0.00 C ATOM 112 CZ TYR A 8 -13.852 -0.955 10.621 1.00 0.00 C ATOM 113 OH TYR A 8 -12.769 -0.659 11.425 1.00 0.00 O ATOM 0 H TYR A 8 -15.359 -1.231 6.192 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.328 -0.901 6.538 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.150 -1.847 8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.139 -2.889 7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.589 -2.159 7.526 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.253 -0.883 10.644 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.644 -1.627 8.970 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.309 -0.352 12.088 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.008 -0.398 10.866 1.00 0.00 H new ATOM 123 N ARG A 9 -17.862 1.070 8.310 1.00 0.00 N ATOM 124 CA ARG A 9 -17.622 2.442 8.835 1.00 0.00 C ATOM 125 C ARG A 9 -18.094 2.523 10.288 1.00 0.00 C ATOM 126 O ARG A 9 -19.142 2.020 10.640 1.00 0.00 O ATOM 127 CB ARG A 9 -18.398 3.456 7.989 1.00 0.00 C ATOM 128 CG ARG A 9 -17.630 3.735 6.694 1.00 0.00 C ATOM 129 CD ARG A 9 -18.378 4.790 5.877 1.00 0.00 C ATOM 130 NE ARG A 9 -17.990 4.675 4.442 1.00 0.00 N ATOM 131 CZ ARG A 9 -16.941 5.314 3.996 1.00 0.00 C ATOM 132 NH1 ARG A 9 -15.793 4.701 3.909 1.00 0.00 N ATOM 133 NH2 ARG A 9 -17.043 6.564 3.635 1.00 0.00 N ATOM 0 H ARG A 9 -18.702 0.610 8.662 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.557 2.668 8.786 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.391 3.070 7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.537 4.381 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.623 4.083 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.526 2.817 6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.454 4.654 5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.144 5.787 6.249 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.543 4.098 3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.714 3.723 4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.974 5.199 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.942 7.042 3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.224 7.063 3.287 1.00 0.00 H new ATOM 147 N VAL A 10 -17.327 3.154 11.136 1.00 0.00 N ATOM 148 CA VAL A 10 -17.733 3.266 12.566 1.00 0.00 C ATOM 149 C VAL A 10 -17.527 4.706 13.044 1.00 0.00 C ATOM 150 O VAL A 10 -16.550 5.347 12.710 1.00 0.00 O ATOM 151 CB VAL A 10 -16.881 2.318 13.414 1.00 0.00 C ATOM 152 CG1 VAL A 10 -17.238 2.495 14.891 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.154 0.872 12.994 1.00 0.00 C ATOM 0 H VAL A 10 -16.438 3.596 10.901 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.784 2.997 12.668 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.826 2.547 13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.632 1.820 15.495 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.044 3.525 15.191 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.293 2.266 15.040 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.547 0.197 13.598 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.209 0.643 13.143 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.900 0.745 11.942 1.00 0.00 H new ATOM 163 N LEU A 11 -18.440 5.217 13.823 1.00 0.00 N ATOM 164 CA LEU A 11 -18.300 6.615 14.322 1.00 0.00 C ATOM 165 C LEU A 11 -18.537 6.641 15.834 1.00 0.00 C ATOM 166 O LEU A 11 -18.875 5.639 16.434 1.00 0.00 O ATOM 167 CB LEU A 11 -19.332 7.507 13.627 1.00 0.00 C ATOM 168 CG LEU A 11 -18.618 8.467 12.675 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.576 7.856 11.273 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.374 9.796 12.628 1.00 0.00 C ATOM 0 H LEU A 11 -19.278 4.727 14.136 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.297 6.982 14.106 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.045 6.894 13.075 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.901 8.069 14.368 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.601 8.640 13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.067 8.540 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.038 6.909 11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.593 7.684 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.865 10.480 11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.391 9.624 12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.406 10.232 13.626 1.00 0.00 H new ATOM 182 N PRO A 12 -18.358 7.814 16.460 1.00 0.00 N ATOM 183 CA PRO A 12 -18.554 7.979 17.907 1.00 0.00 C ATOM 184 C PRO A 12 -20.026 7.825 18.301 1.00 0.00 C ATOM 185 O PRO A 12 -20.346 7.479 19.420 1.00 0.00 O ATOM 186 CB PRO A 12 -18.087 9.410 18.171 1.00 0.00 C ATOM 187 CG PRO A 12 -18.256 10.103 16.862 1.00 0.00 C ATOM 188 CD PRO A 12 -17.953 9.073 15.812 1.00 0.00 C ATOM 0 HA PRO A 12 -18.012 7.228 18.482 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.682 9.884 18.951 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.049 9.434 18.502 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.270 10.488 16.751 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.581 10.955 16.780 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.514 9.254 14.895 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.896 9.068 15.544 1.00 0.00 H new ATOM 196 N ARG A 13 -20.921 8.075 17.387 1.00 0.00 N ATOM 197 CA ARG A 13 -22.370 7.939 17.705 1.00 0.00 C ATOM 198 C ARG A 13 -22.943 6.743 16.941 1.00 0.00 C ATOM 199 O ARG A 13 -23.971 6.202 17.294 1.00 0.00 O ATOM 200 CB ARG A 13 -23.109 9.212 17.290 1.00 0.00 C ATOM 201 CG ARG A 13 -24.612 9.021 17.505 1.00 0.00 C ATOM 202 CD ARG A 13 -25.379 10.138 16.796 1.00 0.00 C ATOM 203 NE ARG A 13 -26.818 10.069 17.180 1.00 0.00 N ATOM 204 CZ ARG A 13 -27.719 10.653 16.440 1.00 0.00 C ATOM 205 NH1 ARG A 13 -28.158 11.840 16.760 1.00 0.00 N ATOM 206 NH2 ARG A 13 -28.185 10.050 15.381 1.00 0.00 N ATOM 0 H ARG A 13 -20.712 8.368 16.433 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.495 7.784 18.777 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -22.752 10.060 17.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -22.906 9.438 16.243 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.924 8.051 17.119 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -24.841 9.029 18.571 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.964 11.109 17.068 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.274 10.038 15.716 1.00 0.00 H new ATOM 0 HE ARG A 13 -27.098 9.565 18.022 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -27.796 12.311 17.589 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -28.863 12.296 16.181 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -27.845 9.121 15.132 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -28.890 10.507 14.802 1.00 0.00 H new ATOM 220 N ILE A 14 -22.282 6.328 15.895 1.00 0.00 N ATOM 221 CA ILE A 14 -22.785 5.169 15.108 1.00 0.00 C ATOM 222 C ILE A 14 -22.178 3.878 15.660 1.00 0.00 C ATOM 223 O ILE A 14 -22.831 2.856 15.738 1.00 0.00 O ATOM 224 CB ILE A 14 -22.381 5.337 13.642 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.067 6.575 13.062 1.00 0.00 C ATOM 226 CG2 ILE A 14 -22.807 4.098 12.851 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.595 6.794 11.622 1.00 0.00 C ATOM 0 H ILE A 14 -21.415 6.742 15.552 1.00 0.00 H new ATOM 0 HA ILE A 14 -23.871 5.121 15.183 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.300 5.457 13.574 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.149 6.449 13.086 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.835 7.450 13.669 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.520 4.217 11.806 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.317 3.216 13.264 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -23.888 3.977 12.918 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.084 7.676 11.209 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.515 6.939 11.611 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.850 5.922 11.019 1.00 0.00 H new ATOM 239 N GLY A 15 -20.931 3.916 16.046 1.00 0.00 N ATOM 240 CA GLY A 15 -20.282 2.692 16.594 1.00 0.00 C ATOM 241 C GLY A 15 -20.129 1.655 15.481 1.00 0.00 C ATOM 242 O GLY A 15 -19.843 1.983 14.348 1.00 0.00 O ATOM 0 H GLY A 15 -20.334 4.742 16.005 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.306 2.940 17.011 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.881 2.283 17.407 1.00 0.00 H new ATOM 246 N TYR A 16 -20.316 0.401 15.795 1.00 0.00 N ATOM 247 CA TYR A 16 -20.178 -0.654 14.752 1.00 0.00 C ATOM 248 C TYR A 16 -21.560 -1.210 14.399 1.00 0.00 C ATOM 249 O TYR A 16 -22.476 -1.175 15.197 1.00 0.00 O ATOM 250 CB TYR A 16 -19.295 -1.785 15.281 1.00 0.00 C ATOM 251 CG TYR A 16 -18.560 -2.425 14.128 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.227 -3.326 13.288 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.215 -2.116 13.896 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.547 -3.918 12.217 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.535 -2.707 12.825 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.202 -3.609 11.985 1.00 0.00 C ATOM 257 OH TYR A 16 -16.531 -4.192 10.929 1.00 0.00 O ATOM 0 H TYR A 16 -20.558 0.063 16.727 1.00 0.00 H new ATOM 0 HA TYR A 16 -19.721 -0.223 13.861 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -18.584 -1.396 16.010 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -19.905 -2.528 15.796 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.265 -3.564 13.467 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -16.701 -1.421 14.544 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.061 -4.613 11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.497 -2.468 12.646 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.570 -4.209 11.122 1.00 0.00 H new ATOM 267 N LEU A 17 -21.714 -1.723 13.210 1.00 0.00 N ATOM 268 CA LEU A 17 -23.033 -2.283 12.804 1.00 0.00 C ATOM 269 C LEU A 17 -22.918 -3.801 12.642 1.00 0.00 C ATOM 270 O LEU A 17 -22.157 -4.293 11.833 1.00 0.00 O ATOM 271 CB LEU A 17 -23.464 -1.660 11.475 1.00 0.00 C ATOM 272 CG LEU A 17 -24.855 -2.170 11.097 1.00 0.00 C ATOM 273 CD1 LEU A 17 -25.901 -1.537 12.018 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.159 -1.792 9.646 1.00 0.00 C ATOM 0 H LEU A 17 -20.983 -1.779 12.501 1.00 0.00 H new ATOM 0 HA LEU A 17 -23.774 -2.056 13.570 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.474 -0.573 11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -22.748 -1.914 10.694 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.885 -3.254 11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.892 -1.901 11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.685 -1.806 13.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.871 -0.453 11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.150 -2.155 9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.128 -0.708 9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.416 -2.243 8.989 1.00 0.00 H new ATOM 286 N CYS A 18 -23.670 -4.546 13.405 1.00 0.00 N ATOM 287 CA CYS A 18 -23.608 -6.031 13.296 1.00 0.00 C ATOM 288 C CYS A 18 -25.029 -6.590 13.200 1.00 0.00 C ATOM 289 O CYS A 18 -25.979 -5.969 13.636 1.00 0.00 O ATOM 290 CB CYS A 18 -22.916 -6.604 14.535 1.00 0.00 C ATOM 291 SG CYS A 18 -21.297 -5.821 14.735 1.00 0.00 S ATOM 0 H CYS A 18 -24.326 -4.190 14.100 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.045 -6.310 12.405 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.528 -6.430 15.420 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -22.800 -7.683 14.434 1.00 0.00 H new ATOM 296 N PRO A 19 -25.174 -7.787 12.616 1.00 0.00 N ATOM 297 CA PRO A 19 -26.480 -8.435 12.460 1.00 0.00 C ATOM 298 C PRO A 19 -27.030 -8.928 13.801 1.00 0.00 C ATOM 299 O PRO A 19 -26.322 -8.993 14.787 1.00 0.00 O ATOM 300 CB PRO A 19 -26.188 -9.622 11.545 1.00 0.00 C ATOM 301 CG PRO A 19 -24.740 -9.916 11.756 1.00 0.00 C ATOM 302 CD PRO A 19 -24.077 -8.601 12.064 1.00 0.00 C ATOM 0 HA PRO A 19 -27.231 -7.752 12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.808 -10.481 11.801 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.395 -9.379 10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.603 -10.621 12.576 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.303 -10.372 10.867 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.264 -8.719 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.650 -8.147 11.170 1.00 0.00 H new ATOM 310 N LYS A 20 -28.286 -9.273 13.846 1.00 0.00 N ATOM 311 CA LYS A 20 -28.877 -9.759 15.124 1.00 0.00 C ATOM 312 C LYS A 20 -28.686 -11.273 15.233 1.00 0.00 C ATOM 313 O LYS A 20 -28.972 -11.873 16.250 1.00 0.00 O ATOM 314 CB LYS A 20 -30.370 -9.426 15.152 1.00 0.00 C ATOM 315 CG LYS A 20 -30.552 -7.906 15.119 1.00 0.00 C ATOM 316 CD LYS A 20 -32.035 -7.563 15.266 1.00 0.00 C ATOM 317 CE LYS A 20 -32.223 -6.050 15.147 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.590 -5.679 15.608 1.00 0.00 N ATOM 0 H LYS A 20 -28.928 -9.240 13.054 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.381 -9.272 15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.872 -9.882 14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.829 -9.839 16.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -29.980 -7.444 15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.167 -7.504 14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.615 -8.074 14.497 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.406 -7.912 16.230 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.473 -5.532 15.745 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.079 -5.736 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.716 -4.650 15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.298 -6.163 15.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.711 -5.965 16.600 1.00 0.00 H new ATOM 332 N ASP A 21 -28.202 -11.896 14.193 1.00 0.00 N ATOM 333 CA ASP A 21 -27.990 -13.369 14.239 1.00 0.00 C ATOM 334 C ASP A 21 -26.764 -13.679 15.098 1.00 0.00 C ATOM 335 O ASP A 21 -25.701 -13.125 14.902 1.00 0.00 O ATOM 336 CB ASP A 21 -27.765 -13.896 12.820 1.00 0.00 C ATOM 337 CG ASP A 21 -29.012 -13.631 11.975 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.037 -13.307 12.553 1.00 0.00 O ATOM 339 OD2 ASP A 21 -28.922 -13.758 10.765 1.00 0.00 O ATOM 0 H ASP A 21 -27.944 -11.448 13.314 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.868 -13.850 14.670 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -26.899 -13.409 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.551 -14.964 12.847 1.00 0.00 H new ATOM 344 N LEU A 22 -26.903 -14.558 16.054 1.00 0.00 N ATOM 345 CA LEU A 22 -25.744 -14.897 16.925 1.00 0.00 C ATOM 346 C LEU A 22 -24.903 -15.988 16.261 1.00 0.00 C ATOM 347 O LEU A 22 -25.335 -17.112 16.101 1.00 0.00 O ATOM 348 CB LEU A 22 -26.253 -15.401 18.278 1.00 0.00 C ATOM 349 CG LEU A 22 -25.085 -15.504 19.264 1.00 0.00 C ATOM 350 CD1 LEU A 22 -24.201 -16.697 18.891 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.254 -14.221 19.213 1.00 0.00 C ATOM 0 H LEU A 22 -27.768 -15.054 16.268 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.132 -14.007 17.073 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -27.012 -14.722 18.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.728 -16.375 18.159 1.00 0.00 H new ATOM 0 HG LEU A 22 -25.477 -15.643 20.271 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -23.371 -16.768 19.594 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.790 -17.613 18.931 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.812 -16.560 17.882 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.424 -14.297 19.915 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.865 -14.080 18.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.881 -13.371 19.482 1.00 0.00 H new ATOM 363 N LYS A 23 -23.697 -15.665 15.880 1.00 0.00 N ATOM 364 CA LYS A 23 -22.820 -16.682 15.234 1.00 0.00 C ATOM 365 C LYS A 23 -21.439 -16.630 15.889 1.00 0.00 C ATOM 366 O LYS A 23 -20.650 -15.745 15.625 1.00 0.00 O ATOM 367 CB LYS A 23 -22.696 -16.378 13.739 1.00 0.00 C ATOM 368 CG LYS A 23 -23.843 -17.054 12.987 1.00 0.00 C ATOM 369 CD LYS A 23 -23.546 -18.547 12.839 1.00 0.00 C ATOM 370 CE LYS A 23 -24.857 -19.310 12.634 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.737 -20.191 11.437 1.00 0.00 N ATOM 0 H LYS A 23 -23.281 -14.740 15.988 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.250 -17.676 15.359 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.722 -15.301 13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.738 -16.736 13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.780 -16.910 13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.967 -16.598 12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.879 -18.714 11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.033 -18.916 13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.085 -19.907 13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -25.681 -18.609 12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.627 -20.710 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.539 -19.610 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.961 -20.868 11.581 1.00 0.00 H new ATOM 385 N PRO A 24 -21.150 -17.598 16.773 1.00 0.00 N ATOM 386 CA PRO A 24 -19.870 -17.666 17.496 1.00 0.00 C ATOM 387 C PRO A 24 -18.681 -17.872 16.558 1.00 0.00 C ATOM 388 O PRO A 24 -18.637 -18.807 15.786 1.00 0.00 O ATOM 389 CB PRO A 24 -20.046 -18.879 18.414 1.00 0.00 C ATOM 390 CG PRO A 24 -21.085 -19.704 17.737 1.00 0.00 C ATOM 391 CD PRO A 24 -22.038 -18.717 17.129 1.00 0.00 C ATOM 0 HA PRO A 24 -19.653 -16.740 18.028 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.113 -19.430 18.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.364 -18.580 19.413 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.643 -20.345 16.975 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.594 -20.356 18.447 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.545 -19.127 16.256 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.812 -18.413 17.833 1.00 0.00 H new ATOM 399 N VAL A 25 -17.716 -16.995 16.622 1.00 0.00 N ATOM 400 CA VAL A 25 -16.526 -17.129 15.738 1.00 0.00 C ATOM 401 C VAL A 25 -15.254 -17.192 16.583 1.00 0.00 C ATOM 402 O VAL A 25 -15.195 -16.671 17.678 1.00 0.00 O ATOM 403 CB VAL A 25 -16.433 -15.912 14.819 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.671 -15.836 13.928 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.340 -14.648 15.675 1.00 0.00 C ATOM 0 H VAL A 25 -17.702 -16.191 17.250 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.627 -18.041 15.150 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.548 -15.999 14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.597 -14.966 13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.739 -16.739 13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.562 -15.749 14.550 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.273 -13.774 15.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.228 -14.568 16.303 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.453 -14.700 16.306 1.00 0.00 H new ATOM 415 N CYS A 26 -14.229 -17.805 16.066 1.00 0.00 N ATOM 416 CA CYS A 26 -12.944 -17.882 16.814 1.00 0.00 C ATOM 417 C CYS A 26 -11.997 -16.824 16.246 1.00 0.00 C ATOM 418 O CYS A 26 -11.908 -16.642 15.049 1.00 0.00 O ATOM 419 CB CYS A 26 -12.331 -19.275 16.647 1.00 0.00 C ATOM 420 SG CYS A 26 -10.724 -19.335 17.477 1.00 0.00 S ATOM 0 H CYS A 26 -14.225 -18.259 15.153 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.113 -17.702 17.876 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.997 -20.029 17.067 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.214 -19.507 15.588 1.00 0.00 H new ATOM 425 N GLY A 27 -11.304 -16.109 17.088 1.00 0.00 N ATOM 426 CA GLY A 27 -10.382 -15.051 16.581 1.00 0.00 C ATOM 427 C GLY A 27 -8.969 -15.614 16.429 1.00 0.00 C ATOM 428 O GLY A 27 -8.491 -16.358 17.264 1.00 0.00 O ATOM 0 H GLY A 27 -11.335 -16.210 18.103 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.738 -14.677 15.621 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.373 -14.206 17.269 1.00 0.00 H new ATOM 432 N ASP A 28 -8.293 -15.259 15.369 1.00 0.00 N ATOM 433 CA ASP A 28 -6.906 -15.765 15.161 1.00 0.00 C ATOM 434 C ASP A 28 -6.001 -15.234 16.273 1.00 0.00 C ATOM 435 O ASP A 28 -4.892 -15.696 16.458 1.00 0.00 O ATOM 436 CB ASP A 28 -6.386 -15.288 13.804 1.00 0.00 C ATOM 437 CG ASP A 28 -6.420 -13.760 13.752 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.649 -13.157 14.787 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.217 -13.219 12.678 1.00 0.00 O ATOM 0 H ASP A 28 -8.642 -14.640 14.638 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.908 -16.855 15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.368 -15.645 13.647 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.997 -15.703 13.002 1.00 0.00 H new ATOM 444 N ASP A 29 -6.464 -14.268 17.017 1.00 0.00 N ATOM 445 CA ASP A 29 -5.630 -13.712 18.118 1.00 0.00 C ATOM 446 C ASP A 29 -5.823 -14.562 19.375 1.00 0.00 C ATOM 447 O ASP A 29 -5.411 -14.193 20.456 1.00 0.00 O ATOM 448 CB ASP A 29 -6.057 -12.271 18.405 1.00 0.00 C ATOM 449 CG ASP A 29 -5.531 -11.354 17.299 1.00 0.00 C ATOM 450 OD1 ASP A 29 -5.068 -11.874 16.297 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.602 -10.150 17.472 1.00 0.00 O ATOM 0 H ASP A 29 -7.384 -13.840 16.910 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.580 -13.726 17.825 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.144 -12.206 18.460 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.670 -11.951 19.372 1.00 0.00 H new ATOM 456 N GLY A 30 -6.451 -15.700 19.240 1.00 0.00 N ATOM 457 CA GLY A 30 -6.673 -16.572 20.426 1.00 0.00 C ATOM 458 C GLY A 30 -7.876 -16.057 21.218 1.00 0.00 C ATOM 459 O GLY A 30 -8.037 -16.353 22.384 1.00 0.00 O ATOM 0 H GLY A 30 -6.819 -16.061 18.360 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.846 -17.600 20.108 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.784 -16.579 21.057 1.00 0.00 H new ATOM 463 N GLN A 31 -8.722 -15.285 20.591 1.00 0.00 N ATOM 464 CA GLN A 31 -9.914 -14.750 21.308 1.00 0.00 C ATOM 465 C GLN A 31 -11.187 -15.186 20.579 1.00 0.00 C ATOM 466 O GLN A 31 -11.215 -15.297 19.371 1.00 0.00 O ATOM 467 CB GLN A 31 -9.848 -13.222 21.341 1.00 0.00 C ATOM 468 CG GLN A 31 -8.778 -12.778 22.342 1.00 0.00 C ATOM 469 CD GLN A 31 -8.752 -11.250 22.414 1.00 0.00 C ATOM 470 OE1 GLN A 31 -9.531 -10.586 21.760 1.00 0.00 O ATOM 471 NE2 GLN A 31 -7.882 -10.660 23.187 1.00 0.00 N ATOM 0 H GLN A 31 -8.639 -15.002 19.615 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.926 -15.137 22.327 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.615 -12.836 20.349 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.818 -12.812 21.623 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.989 -13.196 23.326 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.801 -13.155 22.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.228 -11.217 23.736 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.856 -9.642 23.242 1.00 0.00 H new ATOM 480 N THR A 32 -12.242 -15.433 21.306 1.00 0.00 N ATOM 481 CA THR A 32 -13.512 -15.861 20.653 1.00 0.00 C ATOM 482 C THR A 32 -14.554 -14.754 20.791 1.00 0.00 C ATOM 483 O THR A 32 -14.521 -13.966 21.717 1.00 0.00 O ATOM 484 CB THR A 32 -14.037 -17.128 21.330 1.00 0.00 C ATOM 485 OG1 THR A 32 -13.099 -18.180 21.160 1.00 0.00 O ATOM 486 CG2 THR A 32 -15.372 -17.522 20.697 1.00 0.00 C ATOM 0 H THR A 32 -12.280 -15.357 22.322 1.00 0.00 H new ATOM 0 HA THR A 32 -13.323 -16.061 19.598 1.00 0.00 H new ATOM 0 HB THR A 32 -14.180 -16.942 22.395 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.615 -18.054 20.317 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.750 -18.425 21.177 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.090 -16.713 20.829 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.229 -17.709 19.633 1.00 0.00 H new ATOM 494 N TYR A 33 -15.486 -14.691 19.883 1.00 0.00 N ATOM 495 CA TYR A 33 -16.536 -13.638 19.967 1.00 0.00 C ATOM 496 C TYR A 33 -17.899 -14.264 19.680 1.00 0.00 C ATOM 497 O TYR A 33 -18.019 -15.174 18.883 1.00 0.00 O ATOM 498 CB TYR A 33 -16.243 -12.540 18.943 1.00 0.00 C ATOM 499 CG TYR A 33 -15.105 -11.686 19.445 1.00 0.00 C ATOM 500 CD1 TYR A 33 -15.360 -10.623 20.319 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.793 -11.961 19.041 1.00 0.00 C ATOM 502 CE1 TYR A 33 -14.304 -9.835 20.791 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.737 -11.174 19.512 1.00 0.00 C ATOM 504 CZ TYR A 33 -12.992 -10.111 20.387 1.00 0.00 C ATOM 505 OH TYR A 33 -11.950 -9.338 20.855 1.00 0.00 O ATOM 0 H TYR A 33 -15.567 -15.323 19.086 1.00 0.00 H new ATOM 0 HA TYR A 33 -16.540 -13.202 20.966 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.985 -12.983 17.981 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -17.131 -11.928 18.784 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -16.372 -10.411 20.629 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.596 -12.781 18.366 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -14.501 -9.015 21.466 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.725 -11.386 19.201 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.226 -9.920 21.167 1.00 0.00 H new ATOM 515 N ASN A 34 -18.930 -13.788 20.320 1.00 0.00 N ATOM 516 CA ASN A 34 -20.281 -14.368 20.069 1.00 0.00 C ATOM 517 C ASN A 34 -20.661 -14.102 18.620 1.00 0.00 C ATOM 518 O ASN A 34 -20.675 -14.988 17.795 1.00 0.00 O ATOM 519 CB ASN A 34 -21.329 -13.726 20.988 1.00 0.00 C ATOM 520 CG ASN A 34 -20.666 -13.238 22.274 1.00 0.00 C ATOM 521 OD1 ASN A 34 -19.675 -13.917 22.775 1.00 0.00 O flip ATOM 522 ND2 ASN A 34 -21.052 -12.227 22.827 1.00 0.00 N flip ATOM 0 H ASN A 34 -18.898 -13.029 21.001 1.00 0.00 H new ATOM 0 HA ASN A 34 -20.252 -15.439 20.271 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -21.810 -12.892 20.478 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -22.110 -14.449 21.223 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -21.829 -11.695 22.434 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -20.599 -11.910 23.684 1.00 0.00 H new ATOM 529 N ASN A 35 -20.969 -12.880 18.307 1.00 0.00 N ATOM 530 CA ASN A 35 -21.345 -12.541 16.908 1.00 0.00 C ATOM 531 C ASN A 35 -20.076 -12.322 16.077 1.00 0.00 C ATOM 532 O ASN A 35 -19.078 -11.844 16.577 1.00 0.00 O ATOM 533 CB ASN A 35 -22.203 -11.273 16.921 1.00 0.00 C ATOM 534 CG ASN A 35 -22.423 -10.770 15.496 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.486 -10.622 14.741 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.634 -10.502 15.094 1.00 0.00 N ATOM 0 H ASN A 35 -20.977 -12.097 18.960 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.915 -13.356 16.462 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -23.163 -11.480 17.394 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.715 -10.501 17.516 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.794 -10.168 14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.422 -10.627 15.730 1.00 0.00 H new ATOM 543 N PRO A 36 -20.117 -12.675 14.782 1.00 0.00 N ATOM 544 CA PRO A 36 -18.968 -12.508 13.881 1.00 0.00 C ATOM 545 C PRO A 36 -18.611 -11.032 13.699 1.00 0.00 C ATOM 546 O PRO A 36 -17.480 -10.630 13.890 1.00 0.00 O ATOM 547 CB PRO A 36 -19.455 -13.113 12.563 1.00 0.00 C ATOM 548 CG PRO A 36 -20.939 -13.011 12.642 1.00 0.00 C ATOM 549 CD PRO A 36 -21.277 -13.256 14.084 1.00 0.00 C ATOM 0 HA PRO A 36 -18.065 -12.983 14.264 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.063 -12.567 11.705 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.132 -14.149 12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.283 -12.029 12.319 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.419 -13.746 11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.210 -12.770 14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.391 -14.318 14.300 1.00 0.00 H new ATOM 557 N CYS A 37 -19.568 -10.215 13.355 1.00 0.00 N ATOM 558 CA CYS A 37 -19.277 -8.767 13.192 1.00 0.00 C ATOM 559 C CYS A 37 -18.746 -8.237 14.525 1.00 0.00 C ATOM 560 O CYS A 37 -18.006 -7.275 14.577 1.00 0.00 O ATOM 561 CB CYS A 37 -20.562 -8.028 12.806 1.00 0.00 C ATOM 562 SG CYS A 37 -20.330 -6.244 13.013 1.00 0.00 S ATOM 0 H CYS A 37 -20.535 -10.488 13.181 1.00 0.00 H new ATOM 0 HA CYS A 37 -18.537 -8.610 12.407 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -20.825 -8.252 11.772 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.390 -8.371 13.427 1.00 0.00 H new ATOM 567 N MET A 38 -19.112 -8.877 15.605 1.00 0.00 N ATOM 568 CA MET A 38 -18.624 -8.434 16.940 1.00 0.00 C ATOM 569 C MET A 38 -17.111 -8.643 16.999 1.00 0.00 C ATOM 570 O MET A 38 -16.421 -8.052 17.806 1.00 0.00 O ATOM 571 CB MET A 38 -19.310 -9.257 18.035 1.00 0.00 C ATOM 572 CG MET A 38 -20.404 -8.416 18.694 1.00 0.00 C ATOM 573 SD MET A 38 -19.670 -6.921 19.404 1.00 0.00 S ATOM 574 CE MET A 38 -19.019 -7.683 20.912 1.00 0.00 C ATOM 0 H MET A 38 -19.729 -9.689 15.618 1.00 0.00 H new ATOM 0 HA MET A 38 -18.856 -7.380 17.095 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.740 -10.163 17.608 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.579 -9.571 18.780 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.163 -8.148 17.960 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.903 -8.994 19.472 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.543 -7.280 21.779 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.167 -8.762 20.868 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.954 -7.466 20.999 1.00 0.00 H new ATOM 584 N LEU A 39 -16.591 -9.472 16.135 1.00 0.00 N ATOM 585 CA LEU A 39 -15.122 -9.709 16.122 1.00 0.00 C ATOM 586 C LEU A 39 -14.439 -8.486 15.516 1.00 0.00 C ATOM 587 O LEU A 39 -13.544 -7.910 16.104 1.00 0.00 O ATOM 588 CB LEU A 39 -14.813 -10.951 15.282 1.00 0.00 C ATOM 589 CG LEU A 39 -13.302 -11.066 15.082 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.909 -12.542 14.983 1.00 0.00 C ATOM 591 CD2 LEU A 39 -12.907 -10.349 13.793 1.00 0.00 C ATOM 0 H LEU A 39 -17.121 -9.995 15.438 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.756 -9.871 17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.194 -11.843 15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.315 -10.885 14.317 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.788 -10.610 15.928 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.831 -12.623 14.840 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.193 -13.057 15.901 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.422 -12.999 14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.830 -10.429 13.647 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.422 -10.808 12.949 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.187 -9.298 13.861 1.00 0.00 H new ATOM 603 N CYS A 40 -14.867 -8.064 14.356 1.00 0.00 N ATOM 604 CA CYS A 40 -14.248 -6.858 13.745 1.00 0.00 C ATOM 605 C CYS A 40 -14.186 -5.772 14.814 1.00 0.00 C ATOM 606 O CYS A 40 -13.271 -4.977 14.865 1.00 0.00 O ATOM 607 CB CYS A 40 -15.096 -6.377 12.569 1.00 0.00 C ATOM 608 SG CYS A 40 -14.095 -5.307 11.517 1.00 0.00 S ATOM 0 H CYS A 40 -15.612 -8.499 13.811 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.248 -7.090 13.378 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.463 -7.229 11.997 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.970 -5.836 12.932 1.00 0.00 H new ATOM 613 N HIS A 41 -15.152 -5.750 15.688 1.00 0.00 N ATOM 614 CA HIS A 41 -15.148 -4.736 16.774 1.00 0.00 C ATOM 615 C HIS A 41 -13.778 -4.755 17.444 1.00 0.00 C ATOM 616 O HIS A 41 -13.092 -3.755 17.514 1.00 0.00 O ATOM 617 CB HIS A 41 -16.223 -5.098 17.794 1.00 0.00 C ATOM 618 CG HIS A 41 -16.490 -3.923 18.693 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.103 -2.766 18.238 1.00 0.00 N ATOM 620 CD2 HIS A 41 -16.236 -3.713 20.027 1.00 0.00 C ATOM 621 CE1 HIS A 41 -17.197 -1.920 19.280 1.00 0.00 C ATOM 622 NE2 HIS A 41 -16.683 -2.448 20.395 1.00 0.00 N ATOM 0 H HIS A 41 -15.945 -6.392 15.696 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.351 -3.743 16.372 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.139 -5.391 17.281 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -15.901 -5.955 18.386 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -15.762 -4.422 20.689 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.635 -0.934 19.222 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -16.630 -2.016 21.318 1.00 0.00 H new ATOM 630 N GLU A 42 -13.368 -5.899 17.921 1.00 0.00 N ATOM 631 CA GLU A 42 -12.035 -5.999 18.569 1.00 0.00 C ATOM 632 C GLU A 42 -10.991 -5.387 17.639 1.00 0.00 C ATOM 633 O GLU A 42 -9.936 -4.962 18.064 1.00 0.00 O ATOM 634 CB GLU A 42 -11.694 -7.470 18.810 1.00 0.00 C ATOM 635 CG GLU A 42 -10.474 -7.567 19.728 1.00 0.00 C ATOM 636 CD GLU A 42 -9.720 -8.866 19.435 1.00 0.00 C ATOM 637 OE1 GLU A 42 -10.218 -9.651 18.646 1.00 0.00 O ATOM 638 OE2 GLU A 42 -8.658 -9.053 20.006 1.00 0.00 O ATOM 0 H GLU A 42 -13.901 -6.768 17.889 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.045 -5.469 19.522 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.544 -7.982 19.261 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.489 -7.967 17.862 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.819 -6.710 19.572 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.787 -7.543 20.772 1.00 0.00 H new ATOM 645 N ASN A 43 -11.283 -5.334 16.367 1.00 0.00 N ATOM 646 CA ASN A 43 -10.301 -4.742 15.410 1.00 0.00 C ATOM 647 C ASN A 43 -10.419 -3.218 15.451 1.00 0.00 C ATOM 648 O ASN A 43 -9.463 -2.504 15.224 1.00 0.00 O ATOM 649 CB ASN A 43 -10.579 -5.240 13.987 1.00 0.00 C ATOM 650 CG ASN A 43 -10.416 -6.760 13.931 1.00 0.00 C ATOM 651 OD1 ASN A 43 -9.444 -7.258 13.399 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.331 -7.526 14.459 1.00 0.00 N ATOM 0 H ASN A 43 -12.151 -5.672 15.951 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.294 -5.045 15.697 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.589 -4.962 13.685 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.894 -4.765 13.285 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.229 -8.540 14.424 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.148 -7.110 14.906 1.00 0.00 H new ATOM 659 N LEU A 44 -11.588 -2.714 15.743 1.00 0.00 N ATOM 660 CA LEU A 44 -11.771 -1.236 15.801 1.00 0.00 C ATOM 661 C LEU A 44 -11.193 -0.704 17.115 1.00 0.00 C ATOM 662 O LEU A 44 -10.635 0.375 17.167 1.00 0.00 O ATOM 663 CB LEU A 44 -13.263 -0.907 15.727 1.00 0.00 C ATOM 664 CG LEU A 44 -13.455 0.609 15.788 1.00 0.00 C ATOM 665 CD1 LEU A 44 -13.025 1.232 14.458 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.929 0.925 16.045 1.00 0.00 C ATOM 0 H LEU A 44 -12.424 -3.263 15.944 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.254 -0.769 14.962 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.688 -1.301 14.804 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.793 -1.385 16.551 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.848 1.020 16.595 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.162 2.313 14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.975 1.006 14.273 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.632 0.822 13.651 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.067 2.005 16.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.535 0.514 15.238 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.237 0.481 16.992 1.00 0.00 H new ATOM 678 N ILE A 45 -11.320 -1.451 18.178 1.00 0.00 N ATOM 679 CA ILE A 45 -10.774 -0.988 19.484 1.00 0.00 C ATOM 680 C ILE A 45 -9.259 -1.187 19.497 1.00 0.00 C ATOM 681 O ILE A 45 -8.505 -0.273 19.771 1.00 0.00 O ATOM 682 CB ILE A 45 -11.404 -1.802 20.618 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.895 -1.996 20.339 1.00 0.00 C ATOM 684 CG2 ILE A 45 -11.226 -1.057 21.942 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.536 -0.641 20.033 1.00 0.00 C ATOM 0 H ILE A 45 -11.778 -2.362 18.198 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.006 0.068 19.623 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.916 -2.775 20.681 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.033 -2.674 19.497 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.381 -2.454 21.201 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.675 -1.637 22.749 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.163 -0.919 22.142 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.713 -0.084 21.880 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.599 -0.778 19.834 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.410 0.023 20.888 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.057 -0.201 19.158 1.00 0.00 H new ATOM 697 N ARG A 46 -8.806 -2.374 19.201 1.00 0.00 N ATOM 698 CA ARG A 46 -7.338 -2.632 19.193 1.00 0.00 C ATOM 699 C ARG A 46 -6.736 -2.115 17.885 1.00 0.00 C ATOM 700 O ARG A 46 -5.537 -1.963 17.760 1.00 0.00 O ATOM 701 CB ARG A 46 -7.084 -4.135 19.311 1.00 0.00 C ATOM 702 CG ARG A 46 -7.652 -4.647 20.636 1.00 0.00 C ATOM 703 CD ARG A 46 -7.333 -6.135 20.785 1.00 0.00 C ATOM 704 NE ARG A 46 -7.985 -6.663 22.016 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.922 -5.986 23.130 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.777 -5.513 23.543 1.00 0.00 N ATOM 707 NH2 ARG A 46 -9.004 -5.780 23.829 1.00 0.00 N ATOM 0 H ARG A 46 -9.389 -3.177 18.964 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.875 -2.118 20.035 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.550 -4.660 18.477 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.015 -4.339 19.259 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.225 -4.087 21.468 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.730 -4.490 20.667 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.685 -6.682 19.911 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.254 -6.283 20.840 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.481 -7.554 21.988 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.932 -5.673 22.995 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.728 -4.984 24.414 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.898 -6.148 23.505 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.956 -5.251 24.700 1.00 0.00 H new ATOM 721 N GLN A 47 -7.558 -1.845 16.908 1.00 0.00 N ATOM 722 CA GLN A 47 -7.032 -1.339 15.610 1.00 0.00 C ATOM 723 C GLN A 47 -6.090 -2.379 14.999 1.00 0.00 C ATOM 724 O GLN A 47 -5.126 -2.045 14.340 1.00 0.00 O ATOM 725 CB GLN A 47 -6.271 -0.033 15.842 1.00 0.00 C ATOM 726 CG GLN A 47 -7.231 1.024 16.392 1.00 0.00 C ATOM 727 CD GLN A 47 -6.471 2.329 16.637 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.256 2.341 16.673 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.139 3.437 16.805 1.00 0.00 N ATOM 0 H GLN A 47 -8.571 -1.953 16.953 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.863 -1.158 14.928 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.452 -0.196 16.543 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.828 0.313 14.908 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.045 1.192 15.687 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.681 0.673 17.321 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.159 3.427 16.775 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.642 4.313 16.966 1.00 0.00 H new ATOM 738 N THR A 48 -6.363 -3.637 15.212 1.00 0.00 N ATOM 739 CA THR A 48 -5.485 -4.697 14.644 1.00 0.00 C ATOM 740 C THR A 48 -6.221 -5.415 13.510 1.00 0.00 C ATOM 741 O THR A 48 -7.374 -5.144 13.237 1.00 0.00 O ATOM 742 CB THR A 48 -5.127 -5.705 15.738 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.255 -6.522 16.013 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.714 -4.958 17.008 1.00 0.00 C ATOM 0 H THR A 48 -7.157 -3.976 15.755 1.00 0.00 H new ATOM 0 HA THR A 48 -4.573 -4.243 14.256 1.00 0.00 H new ATOM 0 HB THR A 48 -4.299 -6.329 15.401 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.037 -7.457 15.817 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.459 -5.677 17.787 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.848 -4.331 16.796 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.540 -4.333 17.348 1.00 0.00 H new ATOM 752 N ASN A 49 -5.565 -6.329 12.849 1.00 0.00 N ATOM 753 CA ASN A 49 -6.231 -7.062 11.735 1.00 0.00 C ATOM 754 C ASN A 49 -6.634 -8.459 12.214 1.00 0.00 C ATOM 755 O ASN A 49 -6.288 -9.456 11.612 1.00 0.00 O ATOM 756 CB ASN A 49 -5.265 -7.186 10.555 1.00 0.00 C ATOM 757 CG ASN A 49 -4.964 -5.793 9.997 1.00 0.00 C ATOM 758 OD1 ASN A 49 -5.683 -4.851 10.262 1.00 0.00 O ATOM 759 ND2 ASN A 49 -3.923 -5.623 9.227 1.00 0.00 N ATOM 0 H ASN A 49 -4.599 -6.600 13.031 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.119 -6.515 11.420 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.342 -7.669 10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.701 -7.815 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.714 -4.699 8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.319 -6.414 9.004 1.00 0.00 H new ATOM 766 N THR A 50 -7.364 -8.538 13.293 1.00 0.00 N ATOM 767 CA THR A 50 -7.788 -9.870 13.810 1.00 0.00 C ATOM 768 C THR A 50 -8.882 -10.442 12.908 1.00 0.00 C ATOM 769 O THR A 50 -9.905 -9.823 12.685 1.00 0.00 O ATOM 770 CB THR A 50 -8.334 -9.716 15.231 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.350 -9.099 16.050 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.681 -11.094 15.799 1.00 0.00 C ATOM 0 H THR A 50 -7.685 -7.738 13.839 1.00 0.00 H new ATOM 0 HA THR A 50 -6.932 -10.544 13.819 1.00 0.00 H new ATOM 0 HB THR A 50 -9.231 -9.097 15.211 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.121 -9.696 16.792 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.070 -10.983 16.811 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.435 -11.567 15.170 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.785 -11.715 15.820 1.00 0.00 H new ATOM 780 N HIS A 51 -8.678 -11.621 12.387 1.00 0.00 N ATOM 781 CA HIS A 51 -9.708 -12.233 11.501 1.00 0.00 C ATOM 782 C HIS A 51 -10.323 -13.444 12.200 1.00 0.00 C ATOM 783 O HIS A 51 -10.081 -13.692 13.365 1.00 0.00 O ATOM 784 CB HIS A 51 -9.057 -12.680 10.193 1.00 0.00 C ATOM 785 CG HIS A 51 -7.972 -11.712 9.813 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.250 -10.436 9.347 1.00 0.00 N ATOM 787 CD2 HIS A 51 -6.604 -11.818 9.821 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.075 -9.831 9.097 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.038 -10.629 9.369 1.00 0.00 N ATOM 0 H HIS A 51 -7.843 -12.187 12.537 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.485 -11.499 11.288 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.642 -13.681 10.305 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.805 -12.732 9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.050 -12.692 10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.981 -8.823 8.722 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.046 -10.414 9.267 1.00 0.00 H new ATOM 797 N ILE A 52 -11.117 -14.203 11.497 1.00 0.00 N ATOM 798 CA ILE A 52 -11.748 -15.398 12.120 1.00 0.00 C ATOM 799 C ILE A 52 -10.803 -16.596 12.011 1.00 0.00 C ATOM 800 O ILE A 52 -10.365 -16.961 10.937 1.00 0.00 O ATOM 801 CB ILE A 52 -13.055 -15.726 11.400 1.00 0.00 C ATOM 802 CG1 ILE A 52 -13.912 -14.463 11.283 1.00 0.00 C ATOM 803 CG2 ILE A 52 -13.811 -16.790 12.197 1.00 0.00 C ATOM 804 CD1 ILE A 52 -14.018 -13.786 12.651 1.00 0.00 C ATOM 0 H ILE A 52 -11.356 -14.047 10.518 1.00 0.00 H new ATOM 0 HA ILE A 52 -11.951 -15.185 13.170 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.838 -16.102 10.400 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.470 -13.777 10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.906 -14.718 10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.745 -17.029 11.689 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.200 -17.689 12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.028 -16.411 13.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -14.628 -12.887 12.566 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.479 -14.472 13.362 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -13.022 -13.516 13.002 1.00 0.00 H new ATOM 816 N ARG A 53 -10.494 -17.213 13.115 1.00 0.00 N ATOM 817 CA ARG A 53 -9.588 -18.392 13.090 1.00 0.00 C ATOM 818 C ARG A 53 -10.380 -19.630 12.686 1.00 0.00 C ATOM 819 O ARG A 53 -9.931 -20.449 11.909 1.00 0.00 O ATOM 820 CB ARG A 53 -9.017 -18.615 14.488 1.00 0.00 C ATOM 821 CG ARG A 53 -8.092 -19.832 14.474 1.00 0.00 C ATOM 822 CD ARG A 53 -7.439 -19.990 15.848 1.00 0.00 C ATOM 823 NE ARG A 53 -6.418 -21.073 15.791 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.464 -21.118 16.681 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.642 -20.579 17.857 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.332 -21.700 16.395 1.00 0.00 N ATOM 0 H ARG A 53 -10.833 -16.949 14.040 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.782 -18.215 12.377 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.468 -17.731 14.813 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.826 -18.768 15.202 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.657 -20.729 14.223 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.327 -19.712 13.707 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.973 -19.052 16.151 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.195 -20.227 16.597 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.464 -21.779 15.057 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.527 -20.123 18.080 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.897 -20.614 18.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.192 -22.120 15.476 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.587 -21.735 17.090 1.00 0.00 H new ATOM 840 N SER A 54 -11.555 -19.775 13.226 1.00 0.00 N ATOM 841 CA SER A 54 -12.385 -20.962 12.901 1.00 0.00 C ATOM 842 C SER A 54 -13.844 -20.672 13.258 1.00 0.00 C ATOM 843 O SER A 54 -14.144 -20.203 14.337 1.00 0.00 O ATOM 844 CB SER A 54 -11.888 -22.155 13.717 1.00 0.00 C ATOM 845 OG SER A 54 -12.499 -22.139 14.998 1.00 0.00 O ATOM 0 H SER A 54 -11.978 -19.118 13.882 1.00 0.00 H new ATOM 0 HA SER A 54 -12.310 -21.187 11.837 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.124 -23.086 13.201 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.804 -22.113 13.819 1.00 0.00 H new ATOM 0 HG SER A 54 -13.032 -21.322 15.096 1.00 0.00 H new ATOM 851 N THR A 55 -14.752 -20.948 12.366 1.00 0.00 N ATOM 852 CA THR A 55 -16.186 -20.687 12.670 1.00 0.00 C ATOM 853 C THR A 55 -16.524 -21.283 14.038 1.00 0.00 C ATOM 854 O THR A 55 -15.973 -22.288 14.440 1.00 0.00 O ATOM 855 CB THR A 55 -17.063 -21.335 11.597 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.163 -22.730 11.849 1.00 0.00 O ATOM 857 CG2 THR A 55 -16.440 -21.106 10.219 1.00 0.00 C ATOM 0 H THR A 55 -14.565 -21.341 11.444 1.00 0.00 H new ATOM 0 HA THR A 55 -16.370 -19.613 12.682 1.00 0.00 H new ATOM 0 HB THR A 55 -18.057 -20.889 11.621 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.726 -23.147 11.164 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.066 -21.568 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.364 -20.036 10.027 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.445 -21.551 10.191 1.00 0.00 H new ATOM 865 N GLY A 56 -17.419 -20.669 14.760 1.00 0.00 N ATOM 866 CA GLY A 56 -17.783 -21.200 16.102 1.00 0.00 C ATOM 867 C GLY A 56 -16.798 -20.662 17.141 1.00 0.00 C ATOM 868 O GLY A 56 -15.815 -20.031 16.809 1.00 0.00 O ATOM 0 H GLY A 56 -17.914 -19.823 14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.800 -20.904 16.360 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.761 -22.290 16.093 1.00 0.00 H new ATOM 872 N LYS A 57 -17.055 -20.904 18.396 1.00 0.00 N ATOM 873 CA LYS A 57 -16.136 -20.402 19.456 1.00 0.00 C ATOM 874 C LYS A 57 -14.783 -21.110 19.343 1.00 0.00 C ATOM 875 O LYS A 57 -14.701 -22.249 18.927 1.00 0.00 O ATOM 876 CB LYS A 57 -16.743 -20.686 20.832 1.00 0.00 C ATOM 877 CG LYS A 57 -18.020 -19.862 21.003 1.00 0.00 C ATOM 878 CD LYS A 57 -18.521 -19.988 22.442 1.00 0.00 C ATOM 879 CE LYS A 57 -19.880 -19.299 22.572 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.678 -17.829 22.717 1.00 0.00 N ATOM 0 H LYS A 57 -17.862 -21.428 18.734 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.995 -19.328 19.332 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.966 -21.748 20.931 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.028 -20.436 21.616 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.825 -18.816 20.765 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.785 -20.210 20.309 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.607 -21.039 22.718 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.805 -19.536 23.128 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.492 -19.508 21.694 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -20.417 -19.690 23.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.601 -17.359 22.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.110 -17.639 23.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.182 -17.463 21.880 1.00 0.00 H new ATOM 894 N CYS A 58 -13.722 -20.445 19.713 1.00 0.00 N ATOM 895 CA CYS A 58 -12.378 -21.081 19.629 1.00 0.00 C ATOM 896 C CYS A 58 -12.419 -22.440 20.330 1.00 0.00 C ATOM 897 O CYS A 58 -11.720 -23.363 19.963 1.00 0.00 O ATOM 898 CB CYS A 58 -11.343 -20.186 20.313 1.00 0.00 C ATOM 899 SG CYS A 58 -11.110 -18.674 19.345 1.00 0.00 S ATOM 0 H CYS A 58 -13.729 -19.489 20.069 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.103 -21.216 18.583 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.673 -19.937 21.321 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.396 -20.717 20.410 1.00 0.00 H new ATOM 904 N GLU A 59 -13.236 -22.569 21.339 1.00 0.00 N ATOM 905 CA GLU A 59 -13.325 -23.866 22.067 1.00 0.00 C ATOM 906 C GLU A 59 -14.266 -24.807 21.313 1.00 0.00 C ATOM 907 O GLU A 59 -14.161 -26.014 21.408 1.00 0.00 O ATOM 908 CB GLU A 59 -13.867 -23.625 23.477 1.00 0.00 C ATOM 909 CG GLU A 59 -14.135 -24.969 24.158 1.00 0.00 C ATOM 910 CD GLU A 59 -14.831 -24.731 25.500 1.00 0.00 C ATOM 911 OE1 GLU A 59 -15.221 -23.603 25.752 1.00 0.00 O ATOM 912 OE2 GLU A 59 -14.964 -25.682 26.253 1.00 0.00 O ATOM 0 H GLU A 59 -13.846 -21.831 21.691 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.334 -24.316 22.132 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.150 -23.047 24.060 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.785 -23.040 23.430 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.758 -25.595 23.519 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.198 -25.504 24.312 1.00 0.00 H new ATOM 919 N GLU A 60 -15.188 -24.266 20.564 1.00 0.00 N ATOM 920 CA GLU A 60 -16.133 -25.131 19.804 1.00 0.00 C ATOM 921 C GLU A 60 -15.578 -25.377 18.400 1.00 0.00 C ATOM 922 O GLU A 60 -15.428 -24.465 17.612 1.00 0.00 O ATOM 923 CB GLU A 60 -17.492 -24.437 19.699 1.00 0.00 C ATOM 924 CG GLU A 60 -18.508 -25.400 19.081 1.00 0.00 C ATOM 925 CD GLU A 60 -18.705 -26.599 20.011 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.541 -26.428 21.208 1.00 0.00 O ATOM 927 OE2 GLU A 60 -19.016 -27.668 19.511 1.00 0.00 O ATOM 0 H GLU A 60 -15.327 -23.262 20.446 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.251 -26.082 20.323 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.828 -24.120 20.686 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.408 -23.538 19.088 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.458 -24.890 18.921 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.159 -25.737 18.105 1.00 0.00 H new ATOM 934 N SER A 61 -15.271 -26.605 18.082 1.00 0.00 N ATOM 935 CA SER A 61 -14.727 -26.910 16.730 1.00 0.00 C ATOM 936 C SER A 61 -15.552 -28.030 16.093 1.00 0.00 C ATOM 937 O SER A 61 -16.090 -28.880 16.774 1.00 0.00 O ATOM 938 CB SER A 61 -13.269 -27.355 16.855 1.00 0.00 C ATOM 939 OG SER A 61 -13.222 -28.742 17.158 1.00 0.00 O ATOM 0 H SER A 61 -15.374 -27.410 18.700 1.00 0.00 H new ATOM 0 HA SER A 61 -14.780 -26.018 16.105 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.736 -27.157 15.925 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.769 -26.784 17.637 1.00 0.00 H new ATOM 0 HG SER A 61 -12.288 -29.028 17.237 1.00 0.00 H new ATOM 945 N SER A 62 -15.656 -28.038 14.793 1.00 0.00 N ATOM 946 CA SER A 62 -16.447 -29.106 14.119 1.00 0.00 C ATOM 947 C SER A 62 -15.515 -29.980 13.280 1.00 0.00 C ATOM 948 O SER A 62 -14.451 -29.558 12.872 1.00 0.00 O ATOM 949 CB SER A 62 -17.500 -28.464 13.212 1.00 0.00 C ATOM 950 OG SER A 62 -18.367 -29.469 12.709 1.00 0.00 O ATOM 0 H SER A 62 -15.229 -27.353 14.169 1.00 0.00 H new ATOM 0 HA SER A 62 -16.941 -29.722 14.871 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.071 -27.721 13.769 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.015 -27.941 12.388 1.00 0.00 H new ATOM 0 HG SER A 62 -19.042 -29.058 12.130 1.00 0.00 H new ATOM 956 N THR A 63 -15.906 -31.196 13.016 1.00 0.00 N ATOM 957 CA THR A 63 -15.042 -32.097 12.202 1.00 0.00 C ATOM 958 C THR A 63 -15.038 -31.621 10.749 1.00 0.00 C ATOM 959 O THR A 63 -15.946 -30.945 10.306 1.00 0.00 O ATOM 960 CB THR A 63 -15.589 -33.525 12.271 1.00 0.00 C ATOM 961 OG1 THR A 63 -16.931 -33.539 11.806 1.00 0.00 O ATOM 962 CG2 THR A 63 -15.541 -34.023 13.716 1.00 0.00 C ATOM 0 H THR A 63 -16.787 -31.605 13.329 1.00 0.00 H new ATOM 0 HA THR A 63 -14.025 -32.079 12.593 1.00 0.00 H new ATOM 0 HB THR A 63 -14.981 -34.178 11.645 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.282 -34.453 11.848 1.00 0.00 H new ATOM 0 HG21 THR A 63 -15.931 -35.040 13.764 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.510 -34.013 14.070 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.148 -33.372 14.346 1.00 0.00 H new ATOM 970 N PRO A 64 -13.991 -31.984 9.993 1.00 0.00 N ATOM 971 CA PRO A 64 -13.859 -31.597 8.583 1.00 0.00 C ATOM 972 C PRO A 64 -14.879 -32.319 7.698 1.00 0.00 C ATOM 973 O PRO A 64 -15.187 -33.475 7.906 1.00 0.00 O ATOM 974 CB PRO A 64 -12.443 -32.047 8.220 1.00 0.00 C ATOM 975 CG PRO A 64 -12.141 -33.148 9.180 1.00 0.00 C ATOM 976 CD PRO A 64 -12.856 -32.800 10.456 1.00 0.00 C ATOM 0 HA PRO A 64 -14.035 -30.532 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.390 -32.395 7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.730 -31.229 8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.482 -34.108 8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.067 -33.235 9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.191 -33.692 10.986 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.213 -32.245 11.139 1.00 0.00 H new ATOM 984 N GLY A 65 -15.404 -31.646 6.712 1.00 0.00 N ATOM 985 CA GLY A 65 -16.402 -32.293 5.816 1.00 0.00 C ATOM 986 C GLY A 65 -15.674 -33.140 4.769 1.00 0.00 C ATOM 987 O GLY A 65 -14.469 -33.291 4.809 1.00 0.00 O ATOM 0 H GLY A 65 -15.185 -30.675 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -17.078 -32.918 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.012 -31.534 5.326 1.00 0.00 H new ATOM 991 N THR A 66 -16.396 -33.694 3.834 1.00 0.00 N ATOM 992 CA THR A 66 -15.743 -34.530 2.787 1.00 0.00 C ATOM 993 C THR A 66 -14.845 -33.648 1.917 1.00 0.00 C ATOM 994 O THR A 66 -13.884 -34.108 1.334 1.00 0.00 O ATOM 995 CB THR A 66 -16.817 -35.183 1.914 1.00 0.00 C ATOM 996 OG1 THR A 66 -17.510 -34.179 1.188 1.00 0.00 O ATOM 997 CG2 THR A 66 -17.802 -35.947 2.800 1.00 0.00 C ATOM 0 H THR A 66 -17.409 -33.604 3.750 1.00 0.00 H new ATOM 0 HA THR A 66 -15.141 -35.304 3.263 1.00 0.00 H new ATOM 0 HB THR A 66 -16.347 -35.876 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.197 -34.596 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.567 -36.412 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.269 -36.718 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.274 -35.256 3.499 1.00 0.00 H new ATOM 1005 N THR A 67 -15.151 -32.382 1.827 1.00 0.00 N ATOM 1006 CA THR A 67 -14.314 -31.472 0.996 1.00 0.00 C ATOM 1007 C THR A 67 -13.748 -30.356 1.875 1.00 0.00 C ATOM 1008 O THR A 67 -14.209 -30.125 2.976 1.00 0.00 O ATOM 1009 CB THR A 67 -15.172 -30.862 -0.115 1.00 0.00 C ATOM 1010 OG1 THR A 67 -16.057 -29.903 0.446 1.00 0.00 O ATOM 1011 CG2 THR A 67 -15.977 -31.962 -0.805 1.00 0.00 C ATOM 0 H THR A 67 -15.943 -31.940 2.293 1.00 0.00 H new ATOM 0 HA THR A 67 -13.494 -32.036 0.552 1.00 0.00 H new ATOM 0 HB THR A 67 -14.527 -30.377 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.602 -29.037 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.587 -31.525 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.296 -32.696 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 67 -16.623 -32.451 -0.076 1.00 0.00 H new ATOM 1019 N ALA A 68 -12.752 -29.660 1.400 1.00 0.00 N ATOM 1020 CA ALA A 68 -12.158 -28.558 2.209 1.00 0.00 C ATOM 1021 C ALA A 68 -13.190 -27.443 2.388 1.00 0.00 C ATOM 1022 O ALA A 68 -13.250 -26.797 3.414 1.00 0.00 O ATOM 1023 CB ALA A 68 -10.927 -28.003 1.491 1.00 0.00 C ATOM 0 H ALA A 68 -12.323 -29.807 0.486 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.865 -28.943 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.493 -27.197 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -10.191 -28.797 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.218 -27.619 0.513 1.00 0.00 H new ATOM 1029 N ALA A 69 -14.006 -27.212 1.394 1.00 0.00 N ATOM 1030 CA ALA A 69 -15.033 -26.139 1.506 1.00 0.00 C ATOM 1031 C ALA A 69 -16.405 -26.771 1.745 1.00 0.00 C ATOM 1032 O ALA A 69 -16.756 -27.764 1.138 1.00 0.00 O ATOM 1033 CB ALA A 69 -15.064 -25.325 0.212 1.00 0.00 C ATOM 0 H ALA A 69 -14.005 -27.721 0.510 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.784 -25.483 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.816 -24.540 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.086 -24.875 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.313 -25.979 -0.624 1.00 0.00 H new ATOM 1039 N SER A 70 -17.186 -26.205 2.624 1.00 0.00 N ATOM 1040 CA SER A 70 -18.535 -26.774 2.899 1.00 0.00 C ATOM 1041 C SER A 70 -19.388 -26.700 1.631 1.00 0.00 C ATOM 1042 O SER A 70 -20.288 -27.491 1.431 1.00 0.00 O ATOM 1043 CB SER A 70 -19.209 -25.973 4.015 1.00 0.00 C ATOM 1044 OG SER A 70 -19.499 -24.664 3.549 1.00 0.00 O ATOM 0 H SER A 70 -16.948 -25.373 3.164 1.00 0.00 H new ATOM 0 HA SER A 70 -18.434 -27.814 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 70 -20.126 -26.470 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 70 -18.557 -25.924 4.887 1.00 0.00 H new ATOM 0 HG SER A 70 -19.932 -24.151 4.263 1.00 0.00 H new ATOM 1050 N MET A 71 -19.113 -25.755 0.774 1.00 0.00 N ATOM 1051 CA MET A 71 -19.910 -25.632 -0.480 1.00 0.00 C ATOM 1052 C MET A 71 -19.768 -26.915 -1.303 1.00 0.00 C ATOM 1053 O MET A 71 -18.754 -27.583 -1.256 1.00 0.00 O ATOM 1054 CB MET A 71 -19.398 -24.444 -1.297 1.00 0.00 C ATOM 1055 CG MET A 71 -19.068 -23.283 -0.357 1.00 0.00 C ATOM 1056 SD MET A 71 -17.279 -23.006 -0.346 1.00 0.00 S ATOM 1057 CE MET A 71 -17.179 -22.240 1.291 1.00 0.00 C ATOM 0 H MET A 71 -18.372 -25.063 0.887 1.00 0.00 H new ATOM 0 HA MET A 71 -20.959 -25.475 -0.229 1.00 0.00 H new ATOM 0 HB2 MET A 71 -18.511 -24.732 -1.861 1.00 0.00 H new ATOM 0 HB3 MET A 71 -20.151 -24.136 -2.022 1.00 0.00 H new ATOM 0 HG2 MET A 71 -19.585 -22.380 -0.682 1.00 0.00 H new ATOM 0 HG3 MET A 71 -19.419 -23.506 0.651 1.00 0.00 H new ATOM 0 HE1 MET A 71 -16.143 -21.982 1.509 1.00 0.00 H new ATOM 0 HE2 MET A 71 -17.789 -21.337 1.308 1.00 0.00 H new ATOM 0 HE3 MET A 71 -17.545 -22.939 2.043 1.00 0.00 H new ATOM 1067 N PRO A 72 -20.810 -27.259 -2.073 1.00 0.00 N ATOM 1068 CA PRO A 72 -20.812 -28.462 -2.914 1.00 0.00 C ATOM 1069 C PRO A 72 -19.863 -28.324 -4.108 1.00 0.00 C ATOM 1070 O PRO A 72 -19.641 -27.242 -4.614 1.00 0.00 O ATOM 1071 CB PRO A 72 -22.258 -28.554 -3.403 1.00 0.00 C ATOM 1072 CG PRO A 72 -22.767 -27.153 -3.341 1.00 0.00 C ATOM 1073 CD PRO A 72 -22.068 -26.501 -2.181 1.00 0.00 C ATOM 0 HA PRO A 72 -20.475 -29.343 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -22.309 -28.950 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -22.848 -29.218 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -22.558 -26.622 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -23.848 -27.138 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -21.885 -25.442 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -22.658 -26.568 -1.267 1.00 0.00 H new ATOM 1081 N PRO A 73 -19.292 -29.450 -4.561 1.00 0.00 N ATOM 1082 CA PRO A 73 -18.361 -29.467 -5.697 1.00 0.00 C ATOM 1083 C PRO A 73 -19.073 -29.190 -7.024 1.00 0.00 C ATOM 1084 O PRO A 73 -18.454 -29.112 -8.067 1.00 0.00 O ATOM 1085 CB PRO A 73 -17.812 -30.892 -5.688 1.00 0.00 C ATOM 1086 CG PRO A 73 -18.870 -31.700 -5.014 1.00 0.00 C ATOM 1087 CD PRO A 73 -19.511 -30.795 -4.001 1.00 0.00 C ATOM 0 HA PRO A 73 -17.594 -28.698 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.624 -31.251 -6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.866 -30.949 -5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.605 -32.058 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.441 -32.579 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.572 -31.013 -3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.051 -30.901 -3.019 1.00 0.00 H new ATOM 1095 N SER A 74 -20.370 -29.041 -6.996 1.00 0.00 N ATOM 1096 CA SER A 74 -21.117 -28.772 -8.258 1.00 0.00 C ATOM 1097 C SER A 74 -21.115 -27.268 -8.540 1.00 0.00 C ATOM 1098 O SER A 74 -21.496 -26.826 -9.606 1.00 0.00 O ATOM 1099 CB SER A 74 -22.558 -29.263 -8.112 1.00 0.00 C ATOM 1100 OG SER A 74 -23.248 -28.438 -7.185 1.00 0.00 O ATOM 0 H SER A 74 -20.944 -29.094 -6.154 1.00 0.00 H new ATOM 0 HA SER A 74 -20.637 -29.297 -9.084 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.061 -29.241 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.568 -30.298 -7.771 1.00 0.00 H new ATOM 0 HG SER A 74 -24.172 -28.751 -7.093 1.00 0.00 H new ATOM 1106 N ASP A 75 -20.691 -26.477 -7.593 1.00 0.00 N ATOM 1107 CA ASP A 75 -20.666 -25.003 -7.808 1.00 0.00 C ATOM 1108 C ASP A 75 -19.537 -24.647 -8.778 1.00 0.00 C ATOM 1109 O ASP A 75 -19.588 -23.648 -9.466 1.00 0.00 O ATOM 1110 CB ASP A 75 -20.429 -24.297 -6.471 1.00 0.00 C ATOM 1111 CG ASP A 75 -19.094 -24.757 -5.882 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -18.633 -25.819 -6.267 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -18.554 -24.040 -5.056 1.00 0.00 O ATOM 0 H ASP A 75 -20.361 -26.788 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 75 -21.620 -24.681 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -20.423 -23.216 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -21.241 -24.522 -5.779 1.00 0.00 H new ATOM 1118 N GLU A 76 -18.517 -25.459 -8.835 1.00 0.00 N ATOM 1119 CA GLU A 76 -17.385 -25.168 -9.760 1.00 0.00 C ATOM 1120 C GLU A 76 -16.875 -26.475 -10.370 1.00 0.00 C ATOM 1121 O GLU A 76 -16.901 -27.478 -9.677 1.00 0.00 O ATOM 1122 CB GLU A 76 -16.252 -24.493 -8.983 1.00 0.00 C ATOM 1123 CG GLU A 76 -16.751 -23.170 -8.400 1.00 0.00 C ATOM 1124 CD GLU A 76 -15.598 -22.456 -7.692 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -14.563 -23.077 -7.516 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -15.770 -21.301 -7.338 1.00 0.00 O ATOM 1127 OXT GLU A 76 -16.468 -26.451 -11.520 1.00 0.00 O ATOM 0 H GLU A 76 -18.418 -26.310 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.727 -24.505 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.905 -25.147 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.401 -24.315 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.151 -22.539 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.565 -23.354 -7.698 1.00 0.00 H new TER 1134 GLU A 76