USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 180:sc= -0.0218 USER MOD Set 1.2: A 50 THR OG1 : rot -78:sc= 0.403 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.978 K(o=2.2,f=-2.1!) USER MOD Set 2.2: A 33 TYR OH : rot -112:sc= 1.21 USER MOD Set 3.1: A 1 ASP N :NH3+ -122:sc= 0.13 (180deg=0.00907) USER MOD Set 3.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 SER OG : rot 57:sc= 0.109 USER MOD Set 4.2: A 51 HIS :FLIP no HD1:sc= -3.62 F(o=-4.1!,f=-3.5) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.177 (180deg=-0.724) USER MOD Single : A 8 TYR OH : rot -50:sc= -5.9! USER MOD Single : A 16 TYR OH : rot -165:sc= -1.38! 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 -36:sc= 1.08 USER MOD Single : A 34 ASN : amide:sc= -0.824 K(o=-0.82,f=-2!) USER MOD Single : A 35 ASN : amide:sc= -7.86! C(o=-7.9!,f=-20!) USER MOD Single : A 38 MET CE :methyl -152:sc= -0.213 (180deg=-1.37!) USER MOD Single : A 41 HIS : no HE2:sc= -0.253 K(o=-0.25,f=-4.1!) USER MOD Single : A 43 ASN : amide:sc= -5.07! C(o=-5.1!,f=-7.6!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 49 ASN : amide:sc=-0.00159 K(o=-0.0016,f=-1.1) USER MOD Single : A 54 SER OG : rot 22:sc= 1.06 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 ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.163 -27.029 2.035 1.00 0.00 N ATOM 2 CA ASP A 1 1.986 -26.353 3.075 1.00 0.00 C ATOM 3 C ASP A 1 3.456 -26.733 2.888 1.00 0.00 C ATOM 4 O ASP A 1 3.818 -27.406 1.943 1.00 0.00 O ATOM 5 CB ASP A 1 1.517 -26.791 4.463 1.00 0.00 C ATOM 6 CG ASP A 1 0.113 -26.241 4.721 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.326 -25.405 3.949 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.500 -26.667 5.686 1.00 0.00 O ATOM 0 H1 ASP A 1 0.647 -26.315 1.482 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.782 -27.575 1.403 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.483 -27.670 2.492 1.00 0.00 H new ATOM 0 HA ASP A 1 1.875 -25.273 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.512 -27.879 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.208 -26.428 5.224 1.00 0.00 H new ATOM 15 N SER A 2 4.305 -26.308 3.782 1.00 0.00 N ATOM 16 CA SER A 2 5.750 -26.646 3.654 1.00 0.00 C ATOM 17 C SER A 2 5.918 -28.165 3.656 1.00 0.00 C ATOM 18 O SER A 2 6.890 -28.693 3.151 1.00 0.00 O ATOM 19 CB SER A 2 6.520 -26.051 4.832 1.00 0.00 C ATOM 20 OG SER A 2 6.714 -24.660 4.618 1.00 0.00 O ATOM 0 H SER A 2 4.061 -25.742 4.595 1.00 0.00 H new ATOM 0 HA SER A 2 6.137 -26.236 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.970 -26.214 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.483 -26.551 4.940 1.00 0.00 H new ATOM 0 HG SER A 2 5.846 -24.225 4.485 1.00 0.00 H new ATOM 26 N GLU A 3 4.979 -28.878 4.218 1.00 0.00 N ATOM 27 CA GLU A 3 5.095 -30.361 4.243 1.00 0.00 C ATOM 28 C GLU A 3 5.343 -30.865 2.823 1.00 0.00 C ATOM 29 O GLU A 3 5.902 -31.923 2.614 1.00 0.00 O ATOM 30 CB GLU A 3 3.801 -30.971 4.785 1.00 0.00 C ATOM 31 CG GLU A 3 4.117 -31.784 6.041 1.00 0.00 C ATOM 32 CD GLU A 3 2.936 -32.700 6.369 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.818 -32.212 6.381 1.00 0.00 O ATOM 34 OE2 GLU A 3 3.170 -33.874 6.604 1.00 0.00 O ATOM 0 H GLU A 3 4.141 -28.498 4.658 1.00 0.00 H new ATOM 0 HA GLU A 3 5.924 -30.653 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.083 -30.184 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.341 -31.609 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.018 -32.377 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.316 -31.116 6.879 1.00 0.00 H new ATOM 41 N MET A 4 4.939 -30.105 1.844 1.00 0.00 N ATOM 42 CA MET A 4 5.155 -30.530 0.435 1.00 0.00 C ATOM 43 C MET A 4 6.600 -30.223 0.035 1.00 0.00 C ATOM 44 O MET A 4 7.161 -30.852 -0.841 1.00 0.00 O ATOM 45 CB MET A 4 4.198 -29.767 -0.482 1.00 0.00 C ATOM 46 CG MET A 4 2.762 -29.943 0.016 1.00 0.00 C ATOM 47 SD MET A 4 1.628 -29.098 -1.114 1.00 0.00 S ATOM 48 CE MET A 4 0.089 -29.567 -0.284 1.00 0.00 C ATOM 0 H MET A 4 4.468 -29.207 1.960 1.00 0.00 H new ATOM 0 HA MET A 4 4.967 -31.600 0.341 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.461 -28.709 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.287 -30.135 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.513 -31.002 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.661 -29.536 1.022 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.759 -29.144 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.002 -30.653 -0.266 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.096 -29.186 0.737 1.00 0.00 H new ATOM 58 N CYS A 5 7.205 -29.257 0.673 1.00 0.00 N ATOM 59 CA CYS A 5 8.612 -28.905 0.334 1.00 0.00 C ATOM 60 C CYS A 5 9.569 -29.783 1.146 1.00 0.00 C ATOM 61 O CYS A 5 10.765 -29.778 0.931 1.00 0.00 O ATOM 62 CB CYS A 5 8.869 -27.436 0.673 1.00 0.00 C ATOM 63 SG CYS A 5 7.410 -26.458 0.267 1.00 0.00 S ATOM 0 H CYS A 5 6.784 -28.697 1.414 1.00 0.00 H new ATOM 0 HA CYS A 5 8.777 -29.069 -0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.105 -27.333 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.732 -27.069 0.117 1.00 0.00 H new ATOM 68 N LYS A 6 9.054 -30.529 2.084 1.00 0.00 N ATOM 69 CA LYS A 6 9.934 -31.399 2.914 1.00 0.00 C ATOM 70 C LYS A 6 10.668 -32.398 2.018 1.00 0.00 C ATOM 71 O LYS A 6 11.712 -32.910 2.371 1.00 0.00 O ATOM 72 CB LYS A 6 9.085 -32.159 3.933 1.00 0.00 C ATOM 73 CG LYS A 6 8.585 -31.187 5.002 1.00 0.00 C ATOM 74 CD LYS A 6 8.104 -31.973 6.224 1.00 0.00 C ATOM 75 CE LYS A 6 7.459 -31.017 7.229 1.00 0.00 C ATOM 76 NZ LYS A 6 8.281 -29.779 7.338 1.00 0.00 N ATOM 0 H LYS A 6 8.061 -30.574 2.312 1.00 0.00 H new ATOM 0 HA LYS A 6 10.663 -30.779 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.240 -32.636 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.673 -32.953 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.384 -30.503 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.772 -30.580 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.386 -32.735 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.943 -32.492 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.447 -30.767 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.377 -31.498 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.058 -29.291 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.290 -30.030 7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.070 -29.150 6.537 1.00 0.00 H new ATOM 90 N ASP A 7 10.132 -32.685 0.863 1.00 0.00 N ATOM 91 CA ASP A 7 10.808 -33.657 -0.043 1.00 0.00 C ATOM 92 C ASP A 7 10.489 -33.324 -1.502 1.00 0.00 C ATOM 93 O ASP A 7 9.877 -34.105 -2.204 1.00 0.00 O ATOM 94 CB ASP A 7 10.319 -35.072 0.272 1.00 0.00 C ATOM 95 CG ASP A 7 11.120 -36.083 -0.553 1.00 0.00 C ATOM 96 OD1 ASP A 7 12.046 -35.664 -1.229 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.794 -37.257 -0.494 1.00 0.00 O ATOM 0 H ASP A 7 9.260 -32.291 0.509 1.00 0.00 H new ATOM 0 HA ASP A 7 11.885 -33.596 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.435 -35.280 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.257 -35.161 0.044 1.00 0.00 H new ATOM 102 N TYR A 8 10.903 -32.179 -1.970 1.00 0.00 N ATOM 103 CA TYR A 8 10.627 -31.817 -3.390 1.00 0.00 C ATOM 104 C TYR A 8 11.932 -31.374 -4.060 1.00 0.00 C ATOM 105 O TYR A 8 12.925 -31.133 -3.404 1.00 0.00 O ATOM 106 CB TYR A 8 9.588 -30.686 -3.444 1.00 0.00 C ATOM 107 CG TYR A 8 10.254 -29.352 -3.204 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.814 -29.065 -1.955 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.312 -28.403 -4.231 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.433 -27.830 -1.732 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.931 -27.167 -4.009 1.00 0.00 C ATOM 112 CZ TYR A 8 11.491 -26.880 -2.760 1.00 0.00 C ATOM 113 OH TYR A 8 12.101 -25.662 -2.540 1.00 0.00 O ATOM 0 H TYR A 8 11.418 -31.481 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 8 10.228 -32.682 -3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.093 -30.684 -4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.816 -30.855 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.769 -29.797 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.879 -28.624 -5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.866 -27.609 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.976 -26.435 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 8 11.750 -25.265 -1.716 1.00 0.00 H new ATOM 123 N ARG A 9 11.939 -31.266 -5.361 1.00 0.00 N ATOM 124 CA ARG A 9 13.185 -30.842 -6.063 1.00 0.00 C ATOM 125 C ARG A 9 12.825 -29.964 -7.263 1.00 0.00 C ATOM 126 O ARG A 9 11.820 -30.166 -7.917 1.00 0.00 O ATOM 127 CB ARG A 9 13.946 -32.080 -6.543 1.00 0.00 C ATOM 128 CG ARG A 9 14.598 -32.774 -5.344 1.00 0.00 C ATOM 129 CD ARG A 9 15.402 -33.983 -5.828 1.00 0.00 C ATOM 130 NE ARG A 9 15.771 -34.834 -4.659 1.00 0.00 N ATOM 131 CZ ARG A 9 16.372 -35.978 -4.847 1.00 0.00 C ATOM 132 NH1 ARG A 9 15.808 -36.901 -5.577 1.00 0.00 N ATOM 133 NH2 ARG A 9 17.537 -36.199 -4.303 1.00 0.00 N ATOM 0 H ARG A 9 11.139 -31.452 -5.966 1.00 0.00 H new ATOM 0 HA ARG A 9 13.812 -30.274 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.265 -32.766 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.707 -31.794 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.250 -32.077 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.834 -33.092 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.815 -34.561 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.301 -33.651 -6.348 1.00 0.00 H new ATOM 0 HE ARG A 9 15.554 -34.522 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.897 -36.729 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.279 -37.794 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.978 -35.478 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.007 -37.092 -4.449 1.00 0.00 H new ATOM 147 N VAL A 10 13.639 -28.987 -7.559 1.00 0.00 N ATOM 148 CA VAL A 10 13.345 -28.095 -8.715 1.00 0.00 C ATOM 149 C VAL A 10 14.631 -27.829 -9.500 1.00 0.00 C ATOM 150 O VAL A 10 15.656 -27.497 -8.938 1.00 0.00 O ATOM 151 CB VAL A 10 12.781 -26.769 -8.202 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.584 -25.811 -9.377 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.436 -27.019 -7.514 1.00 0.00 C ATOM 0 H VAL A 10 14.495 -28.769 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 10 12.616 -28.576 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 10 13.477 -26.329 -7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.182 -24.866 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.542 -25.633 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.888 -26.250 -10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.033 -26.074 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.739 -27.459 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.577 -27.702 -6.676 1.00 0.00 H new ATOM 163 N LEU A 11 14.585 -27.971 -10.796 1.00 0.00 N ATOM 164 CA LEU A 11 15.804 -27.726 -11.619 1.00 0.00 C ATOM 165 C LEU A 11 15.505 -26.643 -12.659 1.00 0.00 C ATOM 166 O LEU A 11 14.387 -26.183 -12.783 1.00 0.00 O ATOM 167 CB LEU A 11 16.206 -29.020 -12.330 1.00 0.00 C ATOM 168 CG LEU A 11 17.523 -29.535 -11.744 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.226 -30.501 -10.596 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.315 -30.264 -12.832 1.00 0.00 C ATOM 0 H LEU A 11 13.755 -28.246 -11.322 1.00 0.00 H new ATOM 0 HA LEU A 11 16.620 -27.397 -10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.425 -29.771 -12.212 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.317 -28.841 -13.399 1.00 0.00 H new ATOM 0 HG LEU A 11 18.108 -28.695 -11.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.163 -30.868 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.662 -29.983 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.641 -31.342 -10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.253 -30.631 -12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.731 -31.105 -13.206 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.526 -29.576 -13.651 1.00 0.00 H new ATOM 182 N PRO A 12 16.529 -26.228 -13.420 1.00 0.00 N ATOM 183 CA PRO A 12 16.380 -25.196 -14.455 1.00 0.00 C ATOM 184 C PRO A 12 15.516 -25.682 -15.621 1.00 0.00 C ATOM 185 O PRO A 12 14.889 -24.900 -16.309 1.00 0.00 O ATOM 186 CB PRO A 12 17.814 -24.954 -14.928 1.00 0.00 C ATOM 187 CG PRO A 12 18.529 -26.223 -14.607 1.00 0.00 C ATOM 188 CD PRO A 12 17.912 -26.731 -13.336 1.00 0.00 C ATOM 0 HA PRO A 12 15.887 -24.301 -14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.849 -24.737 -15.996 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.264 -24.104 -14.415 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.418 -26.949 -15.413 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.597 -26.048 -14.480 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.944 -27.819 -13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.428 -26.349 -12.455 1.00 0.00 H new ATOM 196 N ARG A 13 15.474 -26.965 -15.845 1.00 0.00 N ATOM 197 CA ARG A 13 14.647 -27.499 -16.962 1.00 0.00 C ATOM 198 C ARG A 13 13.329 -28.037 -16.400 1.00 0.00 C ATOM 199 O ARG A 13 12.319 -28.063 -17.074 1.00 0.00 O ATOM 200 CB ARG A 13 15.400 -28.630 -17.665 1.00 0.00 C ATOM 201 CG ARG A 13 16.630 -28.061 -18.375 1.00 0.00 C ATOM 202 CD ARG A 13 17.341 -29.183 -19.133 1.00 0.00 C ATOM 203 NE ARG A 13 18.715 -28.744 -19.506 1.00 0.00 N ATOM 204 CZ ARG A 13 19.564 -29.608 -19.991 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.131 -30.721 -20.515 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.845 -29.360 -19.951 1.00 0.00 N ATOM 0 H ARG A 13 15.977 -27.667 -15.303 1.00 0.00 H new ATOM 0 HA ARG A 13 14.444 -26.702 -17.678 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.703 -29.385 -16.940 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.747 -29.123 -18.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.333 -27.272 -19.066 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.307 -27.611 -17.649 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.390 -30.079 -18.514 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.777 -29.445 -20.028 1.00 0.00 H new ATOM 0 HE ARG A 13 18.991 -27.770 -19.382 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.130 -30.915 -20.545 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.793 -31.398 -20.895 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.183 -28.490 -19.540 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.507 -30.036 -20.331 1.00 0.00 H new ATOM 220 N ILE A 14 13.333 -28.465 -15.168 1.00 0.00 N ATOM 221 CA ILE A 14 12.083 -29.000 -14.560 1.00 0.00 C ATOM 222 C ILE A 14 11.326 -27.863 -13.869 1.00 0.00 C ATOM 223 O ILE A 14 10.121 -27.749 -13.979 1.00 0.00 O ATOM 224 CB ILE A 14 12.435 -30.075 -13.530 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.217 -31.200 -14.212 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.149 -30.640 -12.923 1.00 0.00 C ATOM 227 CD1 ILE A 14 12.480 -31.640 -15.478 1.00 0.00 C ATOM 0 H ILE A 14 14.149 -28.467 -14.556 1.00 0.00 H new ATOM 0 HA ILE A 14 11.457 -29.435 -15.340 1.00 0.00 H new ATOM 0 HB ILE A 14 13.046 -29.636 -12.741 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.221 -30.859 -14.463 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.328 -32.044 -13.531 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.399 -31.406 -12.189 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.594 -29.838 -12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.537 -31.079 -13.711 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.037 -32.441 -15.963 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.485 -31.998 -15.214 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.392 -30.794 -16.160 1.00 0.00 H new ATOM 239 N GLY A 15 12.023 -27.022 -13.155 1.00 0.00 N ATOM 240 CA GLY A 15 11.343 -25.894 -12.458 1.00 0.00 C ATOM 241 C GLY A 15 10.467 -26.445 -11.331 1.00 0.00 C ATOM 242 O GLY A 15 10.792 -27.435 -10.707 1.00 0.00 O ATOM 0 H GLY A 15 13.034 -27.067 -13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.083 -25.203 -12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.734 -25.330 -13.164 1.00 0.00 H new ATOM 246 N TYR A 16 9.357 -25.811 -11.066 1.00 0.00 N ATOM 247 CA TYR A 16 8.460 -26.300 -9.980 1.00 0.00 C ATOM 248 C TYR A 16 7.244 -26.997 -10.597 1.00 0.00 C ATOM 249 O TYR A 16 6.893 -26.759 -11.735 1.00 0.00 O ATOM 250 CB TYR A 16 7.995 -25.114 -9.133 1.00 0.00 C ATOM 251 CG TYR A 16 7.811 -25.559 -7.702 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.658 -26.262 -7.332 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.791 -25.267 -6.745 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.486 -26.675 -6.005 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.619 -25.680 -5.419 1.00 0.00 C ATOM 256 CZ TYR A 16 7.466 -26.384 -5.049 1.00 0.00 C ATOM 257 OH TYR A 16 7.296 -26.790 -3.741 1.00 0.00 O ATOM 0 H TYR A 16 9.033 -24.976 -11.554 1.00 0.00 H new ATOM 0 HA TYR A 16 9.001 -27.006 -9.350 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.727 -24.308 -9.183 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.058 -24.718 -9.525 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.902 -26.486 -8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.679 -24.723 -7.030 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.597 -27.218 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.375 -25.456 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 16 7.934 -26.318 -3.166 1.00 0.00 H new ATOM 267 N LEU A 17 6.601 -27.859 -9.855 1.00 0.00 N ATOM 268 CA LEU A 17 5.412 -28.572 -10.404 1.00 0.00 C ATOM 269 C LEU A 17 4.159 -28.173 -9.621 1.00 0.00 C ATOM 270 O LEU A 17 4.032 -28.456 -8.446 1.00 0.00 O ATOM 271 CB LEU A 17 5.628 -30.082 -10.285 1.00 0.00 C ATOM 272 CG LEU A 17 4.472 -30.822 -10.961 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.551 -30.622 -12.476 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.567 -32.314 -10.638 1.00 0.00 C ATOM 0 H LEU A 17 6.847 -28.099 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 17 5.281 -28.301 -11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.573 -30.362 -10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.692 -30.369 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 17 3.524 -30.428 -10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.727 -31.150 -12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.484 -29.559 -12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.498 -31.015 -12.846 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.744 -32.843 -11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.515 -32.706 -11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.509 -32.457 -9.559 1.00 0.00 H new ATOM 286 N CYS A 18 3.231 -27.520 -10.265 1.00 0.00 N ATOM 287 CA CYS A 18 1.981 -27.104 -9.565 1.00 0.00 C ATOM 288 C CYS A 18 0.777 -27.402 -10.463 1.00 0.00 C ATOM 289 O CYS A 18 0.898 -27.479 -11.670 1.00 0.00 O ATOM 290 CB CYS A 18 2.035 -25.604 -9.269 1.00 0.00 C ATOM 291 SG CYS A 18 3.549 -25.225 -8.354 1.00 0.00 S ATOM 0 H CYS A 18 3.284 -27.256 -11.249 1.00 0.00 H new ATOM 0 HA CYS A 18 1.887 -27.654 -8.629 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.008 -25.037 -10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.162 -25.305 -8.689 1.00 0.00 H new ATOM 296 N PRO A 19 -0.409 -27.572 -9.859 1.00 0.00 N ATOM 297 CA PRO A 19 -1.639 -27.860 -10.603 1.00 0.00 C ATOM 298 C PRO A 19 -2.125 -26.636 -11.383 1.00 0.00 C ATOM 299 O PRO A 19 -1.657 -25.534 -11.179 1.00 0.00 O ATOM 300 CB PRO A 19 -2.645 -28.220 -9.510 1.00 0.00 C ATOM 301 CG PRO A 19 -2.138 -27.532 -8.288 1.00 0.00 C ATOM 302 CD PRO A 19 -0.638 -27.496 -8.406 1.00 0.00 C ATOM 0 HA PRO A 19 -1.497 -28.648 -11.342 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.648 -27.881 -9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.701 -29.299 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.545 -26.524 -8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.443 -28.066 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.223 -26.582 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.173 -28.331 -7.882 1.00 0.00 H new ATOM 310 N LYS A 20 -3.059 -26.820 -12.275 1.00 0.00 N ATOM 311 CA LYS A 20 -3.570 -25.665 -13.065 1.00 0.00 C ATOM 312 C LYS A 20 -4.663 -24.947 -12.272 1.00 0.00 C ATOM 313 O LYS A 20 -4.990 -23.807 -12.539 1.00 0.00 O ATOM 314 CB LYS A 20 -4.142 -26.168 -14.391 1.00 0.00 C ATOM 315 CG LYS A 20 -3.054 -26.918 -15.163 1.00 0.00 C ATOM 316 CD LYS A 20 -3.611 -27.386 -16.509 1.00 0.00 C ATOM 317 CE LYS A 20 -2.554 -28.223 -17.233 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.777 -27.348 -18.156 1.00 0.00 N ATOM 0 H LYS A 20 -3.490 -27.719 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.754 -24.970 -13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.992 -26.826 -14.207 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.510 -25.330 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.192 -26.269 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.707 -27.774 -14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.515 -27.975 -16.356 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.890 -26.526 -17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.886 -28.691 -16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.032 -29.027 -17.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.058 -27.915 -18.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.420 -26.922 -18.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.310 -26.596 -17.610 1.00 0.00 H new ATOM 332 N ASP A 21 -5.228 -25.603 -11.297 1.00 0.00 N ATOM 333 CA ASP A 21 -6.298 -24.954 -10.487 1.00 0.00 C ATOM 334 C ASP A 21 -5.680 -23.861 -9.618 1.00 0.00 C ATOM 335 O ASP A 21 -4.779 -24.108 -8.840 1.00 0.00 O ATOM 336 CB ASP A 21 -6.964 -25.999 -9.591 1.00 0.00 C ATOM 337 CG ASP A 21 -7.517 -27.133 -10.456 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.576 -26.957 -11.661 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.874 -28.157 -9.897 1.00 0.00 O ATOM 0 H ASP A 21 -4.996 -26.559 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.044 -24.517 -11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.243 -26.392 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.768 -25.541 -9.015 1.00 0.00 H new ATOM 344 N LEU A 22 -6.153 -22.652 -9.741 1.00 0.00 N ATOM 345 CA LEU A 22 -5.588 -21.547 -8.920 1.00 0.00 C ATOM 346 C LEU A 22 -6.303 -21.498 -7.569 1.00 0.00 C ATOM 347 O LEU A 22 -7.460 -21.137 -7.479 1.00 0.00 O ATOM 348 CB LEU A 22 -5.779 -20.216 -9.655 1.00 0.00 C ATOM 349 CG LEU A 22 -5.019 -19.100 -8.927 1.00 0.00 C ATOM 350 CD1 LEU A 22 -5.801 -18.670 -7.684 1.00 0.00 C ATOM 351 CD2 LEU A 22 -3.634 -19.599 -8.508 1.00 0.00 C ATOM 0 H LEU A 22 -6.906 -22.382 -10.374 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.524 -21.720 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.420 -20.303 -10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.839 -19.970 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.907 -18.250 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.258 -17.877 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.784 -18.304 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.919 -19.523 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.101 -18.801 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.742 -20.454 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.072 -19.898 -9.393 1.00 0.00 H new ATOM 363 N LYS A 23 -5.623 -21.861 -6.515 1.00 0.00 N ATOM 364 CA LYS A 23 -6.259 -21.838 -5.167 1.00 0.00 C ATOM 365 C LYS A 23 -5.540 -20.816 -4.283 1.00 0.00 C ATOM 366 O LYS A 23 -4.457 -21.063 -3.792 1.00 0.00 O ATOM 367 CB LYS A 23 -6.158 -23.227 -4.536 1.00 0.00 C ATOM 368 CG LYS A 23 -7.462 -23.985 -4.774 1.00 0.00 C ATOM 369 CD LYS A 23 -8.469 -23.626 -3.679 1.00 0.00 C ATOM 370 CE LYS A 23 -8.088 -24.343 -2.381 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.801 -25.649 -2.307 1.00 0.00 N ATOM 0 H LYS A 23 -4.652 -22.173 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.308 -21.559 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.321 -23.775 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.964 -23.140 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.868 -23.732 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.276 -25.059 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.482 -22.548 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.474 -23.915 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.010 -24.502 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.349 -23.725 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.542 -26.136 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.828 -25.485 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.531 -26.238 -3.120 1.00 0.00 H new ATOM 385 N PRO A 24 -6.163 -19.644 -4.080 1.00 0.00 N ATOM 386 CA PRO A 24 -5.592 -18.562 -3.263 1.00 0.00 C ATOM 387 C PRO A 24 -5.425 -18.964 -1.798 1.00 0.00 C ATOM 388 O PRO A 24 -6.381 -19.248 -1.108 1.00 0.00 O ATOM 389 CB PRO A 24 -6.625 -17.439 -3.391 1.00 0.00 C ATOM 390 CG PRO A 24 -7.892 -18.144 -3.730 1.00 0.00 C ATOM 391 CD PRO A 24 -7.483 -19.281 -4.621 1.00 0.00 C ATOM 0 HA PRO A 24 -4.593 -18.284 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.719 -16.876 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.345 -16.727 -4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.393 -18.507 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.590 -17.478 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.186 -20.112 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.425 -18.978 -5.666 1.00 0.00 H new ATOM 399 N VAL A 25 -4.211 -18.989 -1.321 1.00 0.00 N ATOM 400 CA VAL A 25 -3.978 -19.369 0.100 1.00 0.00 C ATOM 401 C VAL A 25 -3.405 -18.178 0.868 1.00 0.00 C ATOM 402 O VAL A 25 -2.808 -17.286 0.299 1.00 0.00 O ATOM 403 CB VAL A 25 -2.968 -20.517 0.169 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.412 -21.654 -0.749 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.596 -20.007 -0.277 1.00 0.00 C ATOM 0 H VAL A 25 -3.371 -18.763 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.927 -19.676 0.539 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.909 -20.887 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.689 -22.468 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.390 -22.016 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.474 -21.290 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.872 -20.821 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.660 -19.637 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.277 -19.199 0.381 1.00 0.00 H new ATOM 415 N CYS A 26 -3.566 -18.172 2.162 1.00 0.00 N ATOM 416 CA CYS A 26 -3.013 -17.060 2.978 1.00 0.00 C ATOM 417 C CYS A 26 -1.684 -17.520 3.579 1.00 0.00 C ATOM 418 O CYS A 26 -1.534 -18.660 3.966 1.00 0.00 O ATOM 419 CB CYS A 26 -3.993 -16.704 4.101 1.00 0.00 C ATOM 420 SG CYS A 26 -3.385 -15.255 4.997 1.00 0.00 S ATOM 0 H CYS A 26 -4.059 -18.893 2.689 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.859 -16.179 2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.980 -16.500 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.102 -17.547 4.783 1.00 0.00 H new ATOM 425 N GLY A 27 -0.715 -16.653 3.648 1.00 0.00 N ATOM 426 CA GLY A 27 0.604 -17.053 4.215 1.00 0.00 C ATOM 427 C GLY A 27 0.648 -16.713 5.705 1.00 0.00 C ATOM 428 O GLY A 27 0.153 -15.689 6.133 1.00 0.00 O ATOM 0 H GLY A 27 -0.778 -15.684 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.764 -18.122 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.408 -16.537 3.690 1.00 0.00 H new ATOM 432 N ASP A 28 1.239 -17.562 6.499 1.00 0.00 N ATOM 433 CA ASP A 28 1.316 -17.284 7.962 1.00 0.00 C ATOM 434 C ASP A 28 2.273 -16.116 8.208 1.00 0.00 C ATOM 435 O ASP A 28 2.364 -15.596 9.302 1.00 0.00 O ATOM 436 CB ASP A 28 1.823 -18.526 8.693 1.00 0.00 C ATOM 437 CG ASP A 28 1.747 -18.295 10.203 1.00 0.00 C ATOM 438 OD1 ASP A 28 1.112 -17.334 10.605 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.325 -19.084 10.934 1.00 0.00 O ATOM 0 H ASP A 28 1.672 -18.436 6.199 1.00 0.00 H new ATOM 0 HA ASP A 28 0.325 -17.026 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.224 -19.394 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.850 -18.741 8.398 1.00 0.00 H new ATOM 444 N ASP A 29 2.984 -15.695 7.197 1.00 0.00 N ATOM 445 CA ASP A 29 3.929 -14.557 7.373 1.00 0.00 C ATOM 446 C ASP A 29 3.204 -13.243 7.073 1.00 0.00 C ATOM 447 O ASP A 29 3.781 -12.176 7.140 1.00 0.00 O ATOM 448 CB ASP A 29 5.109 -14.716 6.411 1.00 0.00 C ATOM 449 CG ASP A 29 6.038 -15.819 6.923 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.815 -16.290 8.026 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.958 -16.171 6.205 1.00 0.00 O ATOM 0 H ASP A 29 2.951 -16.090 6.257 1.00 0.00 H new ATOM 0 HA ASP A 29 4.296 -14.547 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.748 -14.964 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.654 -13.776 6.328 1.00 0.00 H new ATOM 456 N GLY A 30 1.943 -13.310 6.741 1.00 0.00 N ATOM 457 CA GLY A 30 1.186 -12.064 6.437 1.00 0.00 C ATOM 458 C GLY A 30 1.180 -11.833 4.924 1.00 0.00 C ATOM 459 O GLY A 30 0.984 -10.729 4.456 1.00 0.00 O ATOM 0 H GLY A 30 1.405 -14.174 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.164 -12.146 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.643 -11.214 6.945 1.00 0.00 H new ATOM 463 N GLN A 31 1.393 -12.866 4.156 1.00 0.00 N ATOM 464 CA GLN A 31 1.399 -12.703 2.675 1.00 0.00 C ATOM 465 C GLN A 31 0.332 -13.611 2.057 1.00 0.00 C ATOM 466 O GLN A 31 -0.274 -14.418 2.731 1.00 0.00 O ATOM 467 CB GLN A 31 2.775 -13.088 2.123 1.00 0.00 C ATOM 468 CG GLN A 31 3.804 -12.029 2.525 1.00 0.00 C ATOM 469 CD GLN A 31 5.207 -12.521 2.160 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.369 -13.624 1.677 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.234 -11.745 2.370 1.00 0.00 N ATOM 0 H GLN A 31 1.563 -13.815 4.490 1.00 0.00 H new ATOM 0 HA GLN A 31 1.184 -11.664 2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.073 -14.063 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.732 -13.174 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.592 -11.089 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.742 -11.833 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.099 -10.819 2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.172 -12.064 2.129 1.00 0.00 H new ATOM 480 N THR A 32 0.100 -13.486 0.779 1.00 0.00 N ATOM 481 CA THR A 32 -0.924 -14.342 0.115 1.00 0.00 C ATOM 482 C THR A 32 -0.346 -14.910 -1.182 1.00 0.00 C ATOM 483 O THR A 32 0.347 -14.231 -1.914 1.00 0.00 O ATOM 484 CB THR A 32 -2.162 -13.502 -0.212 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.719 -12.991 0.990 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.196 -14.375 -0.925 1.00 0.00 C ATOM 0 H THR A 32 0.577 -12.826 0.164 1.00 0.00 H new ATOM 0 HA THR A 32 -1.202 -15.157 0.783 1.00 0.00 H new ATOM 0 HB THR A 32 -1.878 -12.673 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.616 -13.653 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.078 -13.778 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.768 -14.766 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.480 -15.204 -0.278 1.00 0.00 H new ATOM 494 N TYR A 33 -0.629 -16.148 -1.476 1.00 0.00 N ATOM 495 CA TYR A 33 -0.102 -16.757 -2.730 1.00 0.00 C ATOM 496 C TYR A 33 -1.276 -17.243 -3.579 1.00 0.00 C ATOM 497 O TYR A 33 -2.148 -17.943 -3.103 1.00 0.00 O ATOM 498 CB TYR A 33 0.807 -17.937 -2.381 1.00 0.00 C ATOM 499 CG TYR A 33 1.847 -17.487 -1.384 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.540 -17.454 -0.019 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.118 -17.098 -1.825 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.504 -17.033 0.906 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.081 -16.677 -0.901 1.00 0.00 C ATOM 504 CZ TYR A 33 3.775 -16.645 0.464 1.00 0.00 C ATOM 505 OH TYR A 33 4.725 -16.229 1.376 1.00 0.00 O ATOM 0 H TYR A 33 -1.203 -16.766 -0.902 1.00 0.00 H new ATOM 0 HA TYR A 33 0.471 -16.017 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.218 -18.754 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.290 -18.318 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.560 -17.753 0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.355 -17.123 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.267 -17.008 1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.061 -16.377 -1.242 1.00 0.00 H new ATOM 0 HH TYR A 33 4.896 -15.271 1.257 1.00 0.00 H new ATOM 515 N ASN A 34 -1.319 -16.872 -4.829 1.00 0.00 N ATOM 516 CA ASN A 34 -2.453 -17.313 -5.689 1.00 0.00 C ATOM 517 C ASN A 34 -2.598 -18.833 -5.610 1.00 0.00 C ATOM 518 O ASN A 34 -3.455 -19.342 -4.923 1.00 0.00 O ATOM 519 CB ASN A 34 -2.212 -16.888 -7.143 1.00 0.00 C ATOM 520 CG ASN A 34 -1.551 -15.511 -7.174 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.761 -14.700 -6.294 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.755 -15.211 -8.163 1.00 0.00 N ATOM 0 H ASN A 34 -0.623 -16.286 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.370 -16.844 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.577 -17.618 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.157 -16.861 -7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.308 -14.295 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.579 -15.893 -8.901 1.00 0.00 H new ATOM 529 N ASN A 35 -1.773 -19.563 -6.304 1.00 0.00 N ATOM 530 CA ASN A 35 -1.875 -21.050 -6.258 1.00 0.00 C ATOM 531 C ASN A 35 -1.163 -21.575 -5.008 1.00 0.00 C ATOM 532 O ASN A 35 -0.163 -21.030 -4.583 1.00 0.00 O ATOM 533 CB ASN A 35 -1.222 -21.637 -7.514 1.00 0.00 C ATOM 534 CG ASN A 35 -1.206 -23.163 -7.434 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.662 -23.730 -6.507 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.786 -23.858 -8.375 1.00 0.00 N ATOM 0 H ASN A 35 -1.032 -19.196 -6.902 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.923 -21.346 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.769 -21.317 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.204 -21.260 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.783 -24.877 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.243 -23.382 -9.153 1.00 0.00 H new ATOM 543 N PRO A 36 -1.685 -22.660 -4.412 1.00 0.00 N ATOM 544 CA PRO A 36 -1.093 -23.267 -3.212 1.00 0.00 C ATOM 545 C PRO A 36 0.312 -23.802 -3.494 1.00 0.00 C ATOM 546 O PRO A 36 1.254 -23.487 -2.794 1.00 0.00 O ATOM 547 CB PRO A 36 -2.052 -24.414 -2.882 1.00 0.00 C ATOM 548 CG PRO A 36 -2.711 -24.720 -4.182 1.00 0.00 C ATOM 549 CD PRO A 36 -2.885 -23.390 -4.854 1.00 0.00 C ATOM 0 HA PRO A 36 -0.978 -22.554 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.518 -25.280 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.780 -24.120 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.099 -25.390 -4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.671 -25.214 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.928 -23.484 -5.939 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.803 -22.892 -4.541 1.00 0.00 H new ATOM 557 N CYS A 37 0.470 -24.589 -4.524 1.00 0.00 N ATOM 558 CA CYS A 37 1.825 -25.109 -4.845 1.00 0.00 C ATOM 559 C CYS A 37 2.727 -23.914 -5.150 1.00 0.00 C ATOM 560 O CYS A 37 3.923 -23.951 -4.943 1.00 0.00 O ATOM 561 CB CYS A 37 1.747 -26.033 -6.063 1.00 0.00 C ATOM 562 SG CYS A 37 3.415 -26.360 -6.689 1.00 0.00 S ATOM 0 H CYS A 37 -0.276 -24.891 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 37 2.226 -25.678 -4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.260 -26.969 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.139 -25.573 -6.842 1.00 0.00 H new ATOM 567 N MET A 38 2.148 -22.846 -5.629 1.00 0.00 N ATOM 568 CA MET A 38 2.950 -21.631 -5.935 1.00 0.00 C ATOM 569 C MET A 38 3.481 -21.047 -4.624 1.00 0.00 C ATOM 570 O MET A 38 4.366 -20.215 -4.614 1.00 0.00 O ATOM 571 CB MET A 38 2.059 -20.600 -6.635 1.00 0.00 C ATOM 572 CG MET A 38 2.157 -20.787 -8.150 1.00 0.00 C ATOM 573 SD MET A 38 3.846 -20.435 -8.695 1.00 0.00 S ATOM 574 CE MET A 38 3.838 -18.662 -8.331 1.00 0.00 C ATOM 0 H MET A 38 1.150 -22.764 -5.822 1.00 0.00 H new ATOM 0 HA MET A 38 3.784 -21.888 -6.588 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.025 -20.716 -6.310 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.368 -19.591 -6.362 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.882 -21.807 -8.420 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.455 -20.123 -8.655 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.528 -18.150 -9.002 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.833 -18.266 -8.473 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.149 -18.501 -7.299 1.00 0.00 H new ATOM 584 N LEU A 39 2.948 -21.489 -3.514 1.00 0.00 N ATOM 585 CA LEU A 39 3.422 -20.973 -2.199 1.00 0.00 C ATOM 586 C LEU A 39 4.848 -21.468 -1.963 1.00 0.00 C ATOM 587 O LEU A 39 5.752 -20.693 -1.716 1.00 0.00 O ATOM 588 CB LEU A 39 2.502 -21.492 -1.091 1.00 0.00 C ATOM 589 CG LEU A 39 3.146 -21.232 0.271 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.259 -19.724 0.501 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.283 -21.851 1.374 1.00 0.00 C ATOM 0 H LEU A 39 2.205 -22.186 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 39 3.407 -19.883 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.533 -20.997 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.323 -22.559 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 39 4.139 -21.681 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.718 -19.537 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.874 -19.282 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.265 -19.277 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.744 -21.665 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.289 -21.404 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.201 -22.926 1.212 1.00 0.00 H new ATOM 603 N CYS A 40 5.061 -22.750 -2.053 1.00 0.00 N ATOM 604 CA CYS A 40 6.433 -23.288 -1.853 1.00 0.00 C ATOM 605 C CYS A 40 7.363 -22.650 -2.885 1.00 0.00 C ATOM 606 O CYS A 40 8.560 -22.568 -2.695 1.00 0.00 O ATOM 607 CB CYS A 40 6.420 -24.805 -2.035 1.00 0.00 C ATOM 608 SG CYS A 40 7.964 -25.489 -1.408 1.00 0.00 S ATOM 0 H CYS A 40 4.345 -23.447 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 40 6.783 -23.056 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.573 -25.240 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.298 -25.056 -3.089 1.00 0.00 H new ATOM 613 N HIS A 41 6.813 -22.185 -3.976 1.00 0.00 N ATOM 614 CA HIS A 41 7.654 -21.538 -5.021 1.00 0.00 C ATOM 615 C HIS A 41 8.172 -20.207 -4.477 1.00 0.00 C ATOM 616 O HIS A 41 9.363 -19.980 -4.394 1.00 0.00 O ATOM 617 CB HIS A 41 6.810 -21.286 -6.269 1.00 0.00 C ATOM 618 CG HIS A 41 7.709 -21.132 -7.466 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.505 -22.167 -7.933 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.950 -20.069 -8.301 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.179 -21.709 -9.003 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.879 -20.435 -9.271 1.00 0.00 N ATOM 0 H HIS A 41 5.816 -22.226 -4.187 1.00 0.00 H new ATOM 0 HA HIS A 41 8.492 -22.185 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.118 -22.114 -6.425 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.207 -20.388 -6.137 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.568 -23.105 -7.537 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.489 -19.096 -8.218 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.878 -22.300 -9.576 1.00 0.00 H new ATOM 630 N GLU A 42 7.285 -19.331 -4.091 1.00 0.00 N ATOM 631 CA GLU A 42 7.731 -18.025 -3.535 1.00 0.00 C ATOM 632 C GLU A 42 8.538 -18.293 -2.266 1.00 0.00 C ATOM 633 O GLU A 42 9.304 -17.465 -1.812 1.00 0.00 O ATOM 634 CB GLU A 42 6.510 -17.167 -3.198 1.00 0.00 C ATOM 635 CG GLU A 42 5.775 -16.795 -4.487 1.00 0.00 C ATOM 636 CD GLU A 42 4.759 -15.689 -4.195 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.792 -15.158 -3.097 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.968 -15.392 -5.074 1.00 0.00 O ATOM 0 H GLU A 42 6.275 -19.464 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 42 8.344 -17.495 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.842 -17.712 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.821 -16.265 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.488 -16.459 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.269 -17.670 -4.895 1.00 0.00 H new ATOM 645 N ASN A 43 8.371 -19.456 -1.697 1.00 0.00 N ATOM 646 CA ASN A 43 9.128 -19.798 -0.462 1.00 0.00 C ATOM 647 C ASN A 43 10.563 -20.158 -0.841 1.00 0.00 C ATOM 648 O ASN A 43 11.491 -19.915 -0.097 1.00 0.00 O ATOM 649 CB ASN A 43 8.466 -20.991 0.227 1.00 0.00 C ATOM 650 CG ASN A 43 7.139 -20.549 0.842 1.00 0.00 C ATOM 651 OD1 ASN A 43 6.915 -19.373 1.052 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.239 -21.447 1.138 1.00 0.00 N ATOM 0 H ASN A 43 7.742 -20.184 -2.036 1.00 0.00 H new ATOM 0 HA ASN A 43 9.130 -18.946 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.297 -21.793 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.123 -21.389 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.348 -21.162 1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.426 -22.434 0.962 1.00 0.00 H new ATOM 659 N LEU A 44 10.753 -20.730 -1.997 1.00 0.00 N ATOM 660 CA LEU A 44 12.130 -21.096 -2.427 1.00 0.00 C ATOM 661 C LEU A 44 12.972 -19.826 -2.521 1.00 0.00 C ATOM 662 O LEU A 44 14.137 -19.811 -2.175 1.00 0.00 O ATOM 663 CB LEU A 44 12.076 -21.777 -3.797 1.00 0.00 C ATOM 664 CG LEU A 44 13.385 -22.530 -4.047 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.539 -21.531 -4.154 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.648 -23.493 -2.888 1.00 0.00 C ATOM 0 H LEU A 44 10.014 -20.960 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 44 12.573 -21.781 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.234 -22.468 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.917 -21.034 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 44 13.307 -23.093 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.470 -22.069 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.352 -20.846 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.618 -20.966 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.580 -24.030 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.725 -22.930 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.827 -24.206 -2.814 1.00 0.00 H new ATOM 678 N ILE A 45 12.388 -18.754 -2.983 1.00 0.00 N ATOM 679 CA ILE A 45 13.148 -17.480 -3.096 1.00 0.00 C ATOM 680 C ILE A 45 13.302 -16.860 -1.705 1.00 0.00 C ATOM 681 O ILE A 45 14.382 -16.472 -1.304 1.00 0.00 O ATOM 682 CB ILE A 45 12.393 -16.512 -4.011 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.709 -17.300 -5.133 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.380 -15.509 -4.612 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.258 -16.341 -6.238 1.00 0.00 C ATOM 0 H ILE A 45 11.416 -18.707 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 45 14.133 -17.677 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 45 11.638 -15.976 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.396 -18.042 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.851 -17.844 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.845 -14.818 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.864 -14.950 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.135 -16.043 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.772 -16.906 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.556 -15.616 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.125 -15.818 -6.642 1.00 0.00 H new ATOM 697 N ARG A 46 12.232 -16.770 -0.964 1.00 0.00 N ATOM 698 CA ARG A 46 12.320 -16.180 0.402 1.00 0.00 C ATOM 699 C ARG A 46 13.114 -17.119 1.309 1.00 0.00 C ATOM 700 O ARG A 46 13.869 -16.690 2.159 1.00 0.00 O ATOM 701 CB ARG A 46 10.912 -15.997 0.970 1.00 0.00 C ATOM 702 CG ARG A 46 10.134 -15.012 0.099 1.00 0.00 C ATOM 703 CD ARG A 46 8.782 -14.717 0.751 1.00 0.00 C ATOM 704 NE ARG A 46 7.946 -13.910 -0.181 1.00 0.00 N ATOM 705 CZ ARG A 46 8.483 -12.940 -0.868 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.447 -11.718 -0.411 1.00 0.00 N ATOM 707 NH2 ARG A 46 9.057 -13.191 -2.013 1.00 0.00 N ATOM 0 H ARG A 46 11.301 -17.079 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 46 12.820 -15.213 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.395 -16.956 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.967 -15.628 1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.701 -14.089 -0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.987 -15.428 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.274 -15.649 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.928 -14.177 1.686 1.00 0.00 H new ATOM 0 HE ARG A 46 6.952 -14.116 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.999 -11.521 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.867 -10.960 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.086 -14.146 -2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.477 -12.432 -2.550 1.00 0.00 H new ATOM 721 N GLN A 47 12.948 -18.399 1.135 1.00 0.00 N ATOM 722 CA GLN A 47 13.689 -19.373 1.984 1.00 0.00 C ATOM 723 C GLN A 47 13.325 -19.148 3.452 1.00 0.00 C ATOM 724 O GLN A 47 14.158 -19.249 4.332 1.00 0.00 O ATOM 725 CB GLN A 47 15.193 -19.174 1.793 1.00 0.00 C ATOM 726 CG GLN A 47 15.555 -19.403 0.325 1.00 0.00 C ATOM 727 CD GLN A 47 17.073 -19.310 0.154 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.759 -18.771 1.000 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.628 -19.815 -0.913 1.00 0.00 N ATOM 0 H GLN A 47 12.329 -18.815 0.439 1.00 0.00 H new ATOM 0 HA GLN A 47 13.418 -20.389 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.479 -18.167 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.746 -19.867 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.201 -20.381 0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.061 -18.661 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.051 -20.267 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.639 -19.758 -1.038 1.00 0.00 H new ATOM 738 N THR A 48 12.086 -18.844 3.724 1.00 0.00 N ATOM 739 CA THR A 48 11.668 -18.613 5.135 1.00 0.00 C ATOM 740 C THR A 48 10.712 -19.725 5.570 1.00 0.00 C ATOM 741 O THR A 48 10.008 -19.603 6.552 1.00 0.00 O ATOM 742 CB THR A 48 10.957 -17.263 5.245 1.00 0.00 C ATOM 743 OG1 THR A 48 9.727 -17.319 4.536 1.00 0.00 O ATOM 744 CG2 THR A 48 11.841 -16.166 4.650 1.00 0.00 C ATOM 0 H THR A 48 11.345 -18.746 3.030 1.00 0.00 H new ATOM 0 HA THR A 48 12.548 -18.613 5.778 1.00 0.00 H new ATOM 0 HB THR A 48 10.763 -17.039 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.269 -16.455 4.607 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.332 -15.205 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.784 -16.123 5.195 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.038 -16.386 3.601 1.00 0.00 H new ATOM 752 N ASN A 49 10.679 -20.809 4.845 1.00 0.00 N ATOM 753 CA ASN A 49 9.765 -21.924 5.219 1.00 0.00 C ATOM 754 C ASN A 49 8.390 -21.355 5.571 1.00 0.00 C ATOM 755 O ASN A 49 7.895 -21.534 6.666 1.00 0.00 O ATOM 756 CB ASN A 49 10.335 -22.666 6.428 1.00 0.00 C ATOM 757 CG ASN A 49 11.749 -23.153 6.107 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.099 -23.325 4.957 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.582 -23.383 7.084 1.00 0.00 N ATOM 0 H ASN A 49 11.244 -20.971 4.011 1.00 0.00 H new ATOM 0 HA ASN A 49 9.670 -22.615 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.354 -22.008 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.697 -23.512 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.528 -23.707 6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.288 -23.238 8.050 1.00 0.00 H new ATOM 766 N THR A 50 7.770 -20.667 4.652 1.00 0.00 N ATOM 767 CA THR A 50 6.429 -20.084 4.935 1.00 0.00 C ATOM 768 C THR A 50 5.366 -21.178 4.859 1.00 0.00 C ATOM 769 O THR A 50 5.446 -22.081 4.050 1.00 0.00 O ATOM 770 CB THR A 50 6.109 -19.006 3.898 1.00 0.00 C ATOM 771 OG1 THR A 50 7.166 -18.057 3.861 1.00 0.00 O ATOM 772 CG2 THR A 50 4.801 -18.303 4.272 1.00 0.00 C ATOM 0 H THR A 50 8.135 -20.484 3.717 1.00 0.00 H new ATOM 0 HA THR A 50 6.434 -19.646 5.933 1.00 0.00 H new ATOM 0 HB THR A 50 6.001 -19.468 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.087 -17.449 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.576 -17.536 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.991 -19.032 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.904 -17.841 5.254 1.00 0.00 H new ATOM 780 N HIS A 51 4.363 -21.097 5.686 1.00 0.00 N ATOM 781 CA HIS A 51 3.289 -22.125 5.653 1.00 0.00 C ATOM 782 C HIS A 51 1.963 -21.439 5.320 1.00 0.00 C ATOM 783 O HIS A 51 1.865 -20.229 5.315 1.00 0.00 O ATOM 784 CB HIS A 51 3.188 -22.807 7.019 1.00 0.00 C ATOM 785 CG HIS A 51 4.556 -23.262 7.454 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.146 -24.502 7.475 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 5.505 -22.383 7.951 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 6.441 -24.397 7.977 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 6.605 -23.099 8.248 1.00 0.00 N flip ATOM 0 H HIS A 51 4.241 -20.363 6.384 1.00 0.00 H new ATOM 0 HA HIS A 51 3.517 -22.877 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.772 -22.116 7.753 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.510 -23.659 6.963 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.384 -21.317 8.077 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.158 -25.193 8.117 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.461 -22.699 8.633 1.00 0.00 H new ATOM 797 N ILE A 52 0.941 -22.199 5.039 1.00 0.00 N ATOM 798 CA ILE A 52 -0.371 -21.578 4.706 1.00 0.00 C ATOM 799 C ILE A 52 -1.067 -21.144 5.994 1.00 0.00 C ATOM 800 O ILE A 52 -1.247 -21.920 6.911 1.00 0.00 O ATOM 801 CB ILE A 52 -1.251 -22.591 3.976 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.557 -23.041 2.690 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.591 -21.936 3.633 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.489 -23.969 1.911 1.00 0.00 C ATOM 0 H ILE A 52 0.957 -23.219 5.026 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.207 -20.712 4.065 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.419 -23.458 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.296 -22.175 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.374 -23.557 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.224 -22.654 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.085 -21.616 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.420 -21.071 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.997 -24.292 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.728 -24.840 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.408 -23.437 1.663 1.00 0.00 H new ATOM 816 N ARG A 53 -1.461 -19.906 6.066 1.00 0.00 N ATOM 817 CA ARG A 53 -2.149 -19.403 7.286 1.00 0.00 C ATOM 818 C ARG A 53 -3.613 -19.832 7.251 1.00 0.00 C ATOM 819 O ARG A 53 -4.157 -20.324 8.219 1.00 0.00 O ATOM 820 CB ARG A 53 -2.074 -17.876 7.307 1.00 0.00 C ATOM 821 CG ARG A 53 -2.669 -17.356 8.614 1.00 0.00 C ATOM 822 CD ARG A 53 -2.462 -15.843 8.705 1.00 0.00 C ATOM 823 NE ARG A 53 -2.948 -15.354 10.027 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.092 -15.001 10.946 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.005 -14.360 10.615 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.325 -15.288 12.199 1.00 0.00 N ATOM 0 H ARG A 53 -1.335 -19.215 5.327 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.668 -19.810 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.038 -17.551 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.618 -17.463 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.732 -17.591 8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.196 -17.850 9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.406 -15.601 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.000 -15.342 7.900 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.949 -15.295 10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.824 -14.134 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.336 -14.084 11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.176 -15.788 12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.656 -15.012 12.918 1.00 0.00 H new ATOM 840 N SER A 54 -4.250 -19.643 6.134 1.00 0.00 N ATOM 841 CA SER A 54 -5.681 -20.029 6.006 1.00 0.00 C ATOM 842 C SER A 54 -6.028 -20.164 4.523 1.00 0.00 C ATOM 843 O SER A 54 -5.435 -19.525 3.678 1.00 0.00 O ATOM 844 CB SER A 54 -6.560 -18.950 6.639 1.00 0.00 C ATOM 845 OG SER A 54 -6.561 -19.106 8.051 1.00 0.00 O ATOM 0 H SER A 54 -3.838 -19.234 5.295 1.00 0.00 H new ATOM 0 HA SER A 54 -5.854 -20.978 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.188 -17.961 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.577 -19.023 6.254 1.00 0.00 H new ATOM 0 HG SER A 54 -5.765 -19.608 8.325 1.00 0.00 H new ATOM 851 N THR A 55 -6.982 -20.991 4.196 1.00 0.00 N ATOM 852 CA THR A 55 -7.355 -21.159 2.765 1.00 0.00 C ATOM 853 C THR A 55 -7.939 -19.850 2.230 1.00 0.00 C ATOM 854 O THR A 55 -8.645 -19.144 2.923 1.00 0.00 O ATOM 855 CB THR A 55 -8.393 -22.276 2.634 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.663 -21.791 3.051 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.983 -23.459 3.511 1.00 0.00 C ATOM 0 H THR A 55 -7.517 -21.556 4.856 1.00 0.00 H new ATOM 0 HA THR A 55 -6.468 -21.421 2.188 1.00 0.00 H new ATOM 0 HB THR A 55 -8.451 -22.600 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.330 -22.504 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.722 -24.255 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.009 -23.829 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.925 -23.138 4.551 1.00 0.00 H new ATOM 865 N GLY A 56 -7.646 -19.521 1.003 1.00 0.00 N ATOM 866 CA GLY A 56 -8.178 -18.257 0.420 1.00 0.00 C ATOM 867 C GLY A 56 -7.146 -17.145 0.595 1.00 0.00 C ATOM 868 O GLY A 56 -6.212 -17.263 1.362 1.00 0.00 O ATOM 0 H GLY A 56 -7.060 -20.074 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.402 -18.397 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.112 -17.982 0.910 1.00 0.00 H new ATOM 872 N LYS A 57 -7.312 -16.064 -0.110 1.00 0.00 N ATOM 873 CA LYS A 57 -6.345 -14.937 0.012 1.00 0.00 C ATOM 874 C LYS A 57 -6.470 -14.308 1.401 1.00 0.00 C ATOM 875 O LYS A 57 -7.531 -14.293 1.993 1.00 0.00 O ATOM 876 CB LYS A 57 -6.650 -13.882 -1.054 1.00 0.00 C ATOM 877 CG LYS A 57 -6.445 -14.484 -2.444 1.00 0.00 C ATOM 878 CD LYS A 57 -6.378 -13.362 -3.483 1.00 0.00 C ATOM 879 CE LYS A 57 -6.327 -13.969 -4.886 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.876 -12.995 -5.871 1.00 0.00 N ATOM 0 H LYS A 57 -8.077 -15.910 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.331 -15.312 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.676 -13.528 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.999 -13.018 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.526 -15.070 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.263 -15.165 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.247 -12.711 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.497 -12.744 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.300 -14.225 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.903 -14.894 -4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.841 -13.409 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.862 -12.772 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.309 -12.124 -5.851 1.00 0.00 H new ATOM 894 N CYS A 58 -5.395 -13.787 1.928 1.00 0.00 N ATOM 895 CA CYS A 58 -5.457 -13.160 3.278 1.00 0.00 C ATOM 896 C CYS A 58 -6.457 -12.002 3.256 1.00 0.00 C ATOM 897 O CYS A 58 -6.701 -11.400 2.229 1.00 0.00 O ATOM 898 CB CYS A 58 -4.073 -12.629 3.662 1.00 0.00 C ATOM 899 SG CYS A 58 -2.856 -13.963 3.540 1.00 0.00 S ATOM 0 H CYS A 58 -4.478 -13.769 1.482 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.775 -13.904 4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.793 -11.806 3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.093 -12.233 4.677 1.00 0.00 H new ATOM 904 N GLU A 59 -7.038 -11.685 4.381 1.00 0.00 N ATOM 905 CA GLU A 59 -8.023 -10.566 4.422 1.00 0.00 C ATOM 906 C GLU A 59 -7.291 -9.252 4.703 1.00 0.00 C ATOM 907 O GLU A 59 -6.088 -9.212 4.507 1.00 0.00 O ATOM 908 CB GLU A 59 -9.044 -10.827 5.531 1.00 0.00 C ATOM 909 CG GLU A 59 -9.828 -12.101 5.211 1.00 0.00 C ATOM 910 CD GLU A 59 -10.904 -12.320 6.278 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.895 -11.593 7.258 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.719 -13.209 6.094 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.947 -8.307 5.109 1.00 0.00 O ATOM 0 H GLU A 59 -6.874 -12.152 5.273 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.536 -10.498 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.537 -10.930 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.725 -9.981 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.288 -12.020 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.154 -12.957 5.178 1.00 0.00 H new TER 920 GLU A 59