USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 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 43 ASN : amide:sc= -3.59 K(o=-2.5,f=-4.2!) USER MOD Set 1.2: A 48 THR OG1 : rot 88:sc= 0.0668 USER MOD Set 1.3: A 50 THR OG1 : rot -83:sc= 1.05 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.638 K(o=1.3,f=-1.4!) USER MOD Set 2.2: A 33 TYR OH : rot -99:sc= 0.636 USER MOD Set 3.1: A 2 SER OG : rot -148:sc= 0.732 USER MOD Set 3.2: A 49 ASN : amide:sc= 0.443 K(o=1.2,f=-10!) USER MOD Single : A 1 ASP N :NH3+ -130:sc= 0.0977 (180deg=-0.0707) USER MOD Single : A 4 MET CE :methyl 127:sc= -0.0481 (180deg=-0.61) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -4.76! USER MOD Single : A 16 TYR OH : rot -166:sc= -0.897 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0.0639 (180deg=-0.514) USER MOD Single : A 32 THR OG1 : rot -37:sc= 0.607 USER MOD Single : A 34 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.62) USER MOD Single : A 35 ASN : amide:sc= -6.97! C(o=-7!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-7.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -3.66 F(o=-4.3!,f=-3.7) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.968 -27.061 2.228 1.00 0.00 N ATOM 2 CA ASP A 1 1.828 -26.304 3.182 1.00 0.00 C ATOM 3 C ASP A 1 3.285 -26.729 3.000 1.00 0.00 C ATOM 4 O ASP A 1 3.588 -27.639 2.254 1.00 0.00 O ATOM 5 CB ASP A 1 1.386 -26.604 4.616 1.00 0.00 C ATOM 6 CG ASP A 1 -0.060 -26.143 4.812 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.516 -25.335 4.020 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.685 -26.605 5.751 1.00 0.00 O ATOM 0 H1 ASP A 1 0.353 -26.398 1.714 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.568 -27.572 1.550 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.382 -27.741 2.753 1.00 0.00 H new ATOM 0 HA ASP A 1 1.733 -25.236 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.469 -27.672 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.040 -26.095 5.324 1.00 0.00 H new ATOM 15 N SER A 2 4.191 -26.079 3.678 1.00 0.00 N ATOM 16 CA SER A 2 5.628 -26.448 3.546 1.00 0.00 C ATOM 17 C SER A 2 5.772 -27.969 3.626 1.00 0.00 C ATOM 18 O SER A 2 6.710 -28.541 3.109 1.00 0.00 O ATOM 19 CB SER A 2 6.426 -25.801 4.679 1.00 0.00 C ATOM 20 OG SER A 2 6.724 -24.454 4.340 1.00 0.00 O ATOM 0 H SER A 2 3.998 -25.308 4.318 1.00 0.00 H new ATOM 0 HA SER A 2 6.008 -26.096 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.854 -25.836 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.348 -26.356 4.852 1.00 0.00 H new ATOM 0 HG SER A 2 7.582 -24.198 4.739 1.00 0.00 H new ATOM 26 N GLU A 3 4.845 -28.629 4.267 1.00 0.00 N ATOM 27 CA GLU A 3 4.926 -30.112 4.374 1.00 0.00 C ATOM 28 C GLU A 3 5.171 -30.690 2.983 1.00 0.00 C ATOM 29 O GLU A 3 5.725 -31.761 2.831 1.00 0.00 O ATOM 30 CB GLU A 3 3.613 -30.659 4.939 1.00 0.00 C ATOM 31 CG GLU A 3 3.794 -30.990 6.422 1.00 0.00 C ATOM 32 CD GLU A 3 2.514 -31.631 6.963 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.790 -32.216 6.175 1.00 0.00 O ATOM 34 OE2 GLU A 3 2.280 -31.525 8.156 1.00 0.00 O ATOM 0 H GLU A 3 4.036 -28.204 4.721 1.00 0.00 H new ATOM 0 HA GLU A 3 5.741 -30.394 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.817 -29.925 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.312 -31.552 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.637 -31.669 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.024 -30.084 6.982 1.00 0.00 H new ATOM 41 N MET A 4 4.774 -29.978 1.965 1.00 0.00 N ATOM 42 CA MET A 4 4.997 -30.474 0.580 1.00 0.00 C ATOM 43 C MET A 4 6.446 -30.187 0.187 1.00 0.00 C ATOM 44 O MET A 4 7.035 -30.880 -0.619 1.00 0.00 O ATOM 45 CB MET A 4 4.052 -29.755 -0.386 1.00 0.00 C ATOM 46 CG MET A 4 2.606 -29.948 0.075 1.00 0.00 C ATOM 47 SD MET A 4 1.489 -29.105 -1.074 1.00 0.00 S ATOM 48 CE MET A 4 1.609 -30.300 -2.428 1.00 0.00 C ATOM 0 H MET A 4 4.305 -29.075 2.033 1.00 0.00 H new ATOM 0 HA MET A 4 4.802 -31.545 0.534 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.294 -28.693 -0.425 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.179 -30.148 -1.395 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.366 -31.010 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.478 -29.550 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.609 -30.615 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.112 -29.838 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.179 -31.168 -2.098 1.00 0.00 H new ATOM 58 N CYS A 5 7.026 -29.170 0.765 1.00 0.00 N ATOM 59 CA CYS A 5 8.440 -28.831 0.447 1.00 0.00 C ATOM 60 C CYS A 5 9.368 -29.757 1.239 1.00 0.00 C ATOM 61 O CYS A 5 10.569 -29.753 1.058 1.00 0.00 O ATOM 62 CB CYS A 5 8.711 -27.376 0.836 1.00 0.00 C ATOM 63 SG CYS A 5 7.296 -26.357 0.372 1.00 0.00 S ATOM 0 H CYS A 5 6.578 -28.558 1.447 1.00 0.00 H new ATOM 0 HA CYS A 5 8.621 -28.959 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.890 -27.302 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.611 -27.016 0.337 1.00 0.00 H new ATOM 68 N LYS A 6 8.817 -30.549 2.119 1.00 0.00 N ATOM 69 CA LYS A 6 9.663 -31.473 2.926 1.00 0.00 C ATOM 70 C LYS A 6 10.461 -32.392 1.997 1.00 0.00 C ATOM 71 O LYS A 6 11.512 -32.886 2.355 1.00 0.00 O ATOM 72 CB LYS A 6 8.766 -32.322 3.830 1.00 0.00 C ATOM 73 CG LYS A 6 8.356 -31.500 5.051 1.00 0.00 C ATOM 74 CD LYS A 6 7.903 -32.439 6.171 1.00 0.00 C ATOM 75 CE LYS A 6 7.257 -31.620 7.290 1.00 0.00 C ATOM 76 NZ LYS A 6 8.202 -31.520 8.438 1.00 0.00 N ATOM 0 H LYS A 6 7.817 -30.596 2.314 1.00 0.00 H new ATOM 0 HA LYS A 6 10.353 -30.889 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.881 -32.647 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.295 -33.222 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.194 -30.890 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.550 -30.816 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.193 -33.169 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.755 -32.998 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.002 -30.624 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.327 -32.090 7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.765 -30.963 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.424 -32.473 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.078 -31.053 8.127 1.00 0.00 H new ATOM 90 N ASP A 7 9.973 -32.629 0.811 1.00 0.00 N ATOM 91 CA ASP A 7 10.711 -33.521 -0.128 1.00 0.00 C ATOM 92 C ASP A 7 10.441 -33.099 -1.574 1.00 0.00 C ATOM 93 O ASP A 7 9.827 -33.821 -2.335 1.00 0.00 O ATOM 94 CB ASP A 7 10.248 -34.965 0.071 1.00 0.00 C ATOM 95 CG ASP A 7 11.004 -35.881 -0.894 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.908 -35.396 -1.555 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.667 -37.052 -0.955 1.00 0.00 O ATOM 0 H ASP A 7 9.099 -32.246 0.452 1.00 0.00 H new ATOM 0 HA ASP A 7 11.779 -33.444 0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.426 -35.277 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.175 -35.041 -0.104 1.00 0.00 H new ATOM 102 N TYR A 8 10.901 -31.942 -1.966 1.00 0.00 N ATOM 103 CA TYR A 8 10.675 -31.492 -3.368 1.00 0.00 C ATOM 104 C TYR A 8 12.018 -31.097 -3.992 1.00 0.00 C ATOM 105 O TYR A 8 13.026 -31.022 -3.318 1.00 0.00 O ATOM 106 CB TYR A 8 9.708 -30.297 -3.381 1.00 0.00 C ATOM 107 CG TYR A 8 10.450 -29.019 -3.069 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.941 -28.793 -1.779 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.646 -28.061 -4.071 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.629 -27.609 -1.490 1.00 0.00 C ATOM 111 CE2 TYR A 8 11.334 -26.877 -3.783 1.00 0.00 C ATOM 112 CZ TYR A 8 11.825 -26.651 -2.492 1.00 0.00 C ATOM 113 OH TYR A 8 12.503 -25.484 -2.207 1.00 0.00 O ATOM 0 H TYR A 8 11.422 -31.291 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 8 10.234 -32.302 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.229 -30.219 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.916 -30.454 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.789 -29.532 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.266 -28.236 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 8 12.009 -27.434 -0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.486 -26.138 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 8 13.159 -25.651 -1.498 1.00 0.00 H new ATOM 123 N ARG A 9 12.043 -30.847 -5.271 1.00 0.00 N ATOM 124 CA ARG A 9 13.325 -30.463 -5.925 1.00 0.00 C ATOM 125 C ARG A 9 13.053 -29.455 -7.043 1.00 0.00 C ATOM 126 O ARG A 9 11.972 -29.396 -7.593 1.00 0.00 O ATOM 127 CB ARG A 9 13.989 -31.708 -6.515 1.00 0.00 C ATOM 128 CG ARG A 9 15.408 -31.360 -6.971 1.00 0.00 C ATOM 129 CD ARG A 9 16.148 -32.642 -7.357 1.00 0.00 C ATOM 130 NE ARG A 9 15.662 -33.115 -8.684 1.00 0.00 N ATOM 131 CZ ARG A 9 16.169 -34.192 -9.217 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.464 -34.342 -9.279 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.382 -35.119 -9.689 1.00 0.00 N ATOM 0 H ARG A 9 11.234 -30.892 -5.890 1.00 0.00 H new ATOM 0 HA ARG A 9 13.985 -30.012 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.019 -32.504 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.406 -32.080 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.372 -30.678 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.942 -30.845 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 9 17.222 -32.457 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.984 -33.411 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 9 14.933 -32.597 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.080 -33.617 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.860 -35.184 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.370 -35.002 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.779 -35.961 -10.106 1.00 0.00 H new ATOM 147 N VAL A 10 14.032 -28.663 -7.383 1.00 0.00 N ATOM 148 CA VAL A 10 13.840 -27.658 -8.465 1.00 0.00 C ATOM 149 C VAL A 10 15.168 -27.439 -9.193 1.00 0.00 C ATOM 150 O VAL A 10 16.164 -27.084 -8.595 1.00 0.00 O ATOM 151 CB VAL A 10 13.366 -26.336 -7.857 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.275 -25.273 -8.954 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.989 -26.532 -7.221 1.00 0.00 C ATOM 0 H VAL A 10 14.959 -28.669 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 10 13.092 -28.020 -9.171 1.00 0.00 H new ATOM 0 HB VAL A 10 14.075 -26.012 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.937 -24.331 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.256 -25.133 -9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.566 -25.597 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.651 -25.591 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.280 -26.857 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.054 -27.289 -6.439 1.00 0.00 H new ATOM 163 N LEU A 11 15.191 -27.650 -10.480 1.00 0.00 N ATOM 164 CA LEU A 11 16.454 -27.456 -11.247 1.00 0.00 C ATOM 165 C LEU A 11 16.279 -26.293 -12.225 1.00 0.00 C ATOM 166 O LEU A 11 15.209 -25.731 -12.348 1.00 0.00 O ATOM 167 CB LEU A 11 16.776 -28.737 -12.020 1.00 0.00 C ATOM 168 CG LEU A 11 18.011 -29.404 -11.409 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.687 -29.871 -9.989 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.416 -30.608 -12.262 1.00 0.00 C ATOM 0 H LEU A 11 14.389 -27.949 -11.035 1.00 0.00 H new ATOM 0 HA LEU A 11 17.271 -27.231 -10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.926 -29.419 -11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.956 -28.506 -13.070 1.00 0.00 H new ATOM 0 HG LEU A 11 18.833 -28.688 -11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.566 -30.346 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.399 -29.014 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.865 -30.587 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.295 -31.083 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.595 -31.324 -12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.647 -30.276 -13.274 1.00 0.00 H new ATOM 182 N PRO A 12 17.357 -25.926 -12.934 1.00 0.00 N ATOM 183 CA PRO A 12 17.327 -24.826 -13.906 1.00 0.00 C ATOM 184 C PRO A 12 16.456 -25.169 -15.118 1.00 0.00 C ATOM 185 O PRO A 12 15.887 -24.303 -15.751 1.00 0.00 O ATOM 186 CB PRO A 12 18.790 -24.679 -14.326 1.00 0.00 C ATOM 187 CG PRO A 12 19.387 -26.020 -14.066 1.00 0.00 C ATOM 188 CD PRO A 12 18.688 -26.552 -12.849 1.00 0.00 C ATOM 0 HA PRO A 12 16.902 -23.914 -13.486 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.876 -24.403 -15.377 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.293 -23.902 -13.750 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.245 -26.683 -14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.461 -25.943 -13.897 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.624 -27.640 -12.863 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.207 -26.275 -11.931 1.00 0.00 H new ATOM 196 N ARG A 13 16.343 -26.428 -15.438 1.00 0.00 N ATOM 197 CA ARG A 13 15.502 -26.830 -16.601 1.00 0.00 C ATOM 198 C ARG A 13 14.160 -27.357 -16.093 1.00 0.00 C ATOM 199 O ARG A 13 13.160 -27.304 -16.779 1.00 0.00 O ATOM 200 CB ARG A 13 16.212 -27.929 -17.393 1.00 0.00 C ATOM 201 CG ARG A 13 17.482 -27.363 -18.029 1.00 0.00 C ATOM 202 CD ARG A 13 18.164 -28.454 -18.856 1.00 0.00 C ATOM 203 NE ARG A 13 19.454 -27.937 -19.392 1.00 0.00 N ATOM 204 CZ ARG A 13 19.841 -28.267 -20.594 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.047 -28.073 -21.611 1.00 0.00 N ATOM 206 NH2 ARG A 13 21.021 -28.792 -20.778 1.00 0.00 N ATOM 0 H ARG A 13 16.797 -27.197 -14.944 1.00 0.00 H new ATOM 0 HA ARG A 13 15.338 -25.968 -17.247 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.462 -28.761 -16.735 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.550 -28.321 -18.165 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.236 -26.511 -18.663 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.159 -27.000 -17.256 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.341 -29.335 -18.240 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.515 -28.763 -19.675 1.00 0.00 H new ATOM 0 HE ARG A 13 20.035 -27.325 -18.819 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.124 -27.663 -21.467 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.349 -28.331 -22.550 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.641 -28.945 -19.983 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.324 -29.050 -21.717 1.00 0.00 H new ATOM 220 N ILE A 14 14.133 -27.867 -14.891 1.00 0.00 N ATOM 221 CA ILE A 14 12.857 -28.398 -14.335 1.00 0.00 C ATOM 222 C ILE A 14 12.101 -27.269 -13.633 1.00 0.00 C ATOM 223 O ILE A 14 10.897 -27.152 -13.744 1.00 0.00 O ATOM 224 CB ILE A 14 13.163 -29.508 -13.327 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.892 -30.654 -14.032 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.854 -30.026 -12.729 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.426 -31.637 -12.988 1.00 0.00 C ATOM 0 H ILE A 14 14.940 -27.938 -14.271 1.00 0.00 H new ATOM 0 HA ILE A 14 12.246 -28.799 -15.144 1.00 0.00 H new ATOM 0 HB ILE A 14 13.795 -29.113 -12.532 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.214 -31.165 -14.715 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.713 -30.262 -14.632 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.070 -30.817 -12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.336 -29.210 -12.225 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.222 -30.421 -13.524 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.945 -32.454 -13.489 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.118 -31.121 -12.323 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.595 -32.038 -12.407 1.00 0.00 H new ATOM 239 N GLY A 15 12.799 -26.439 -12.908 1.00 0.00 N ATOM 240 CA GLY A 15 12.120 -25.321 -12.196 1.00 0.00 C ATOM 241 C GLY A 15 11.202 -25.895 -11.117 1.00 0.00 C ATOM 242 O GLY A 15 11.506 -26.897 -10.500 1.00 0.00 O ATOM 0 H GLY A 15 13.810 -26.487 -12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.859 -24.658 -11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.543 -24.723 -12.901 1.00 0.00 H new ATOM 246 N TYR A 16 10.079 -25.274 -10.885 1.00 0.00 N ATOM 247 CA TYR A 16 9.146 -25.792 -9.847 1.00 0.00 C ATOM 248 C TYR A 16 7.961 -26.482 -10.525 1.00 0.00 C ATOM 249 O TYR A 16 7.653 -26.222 -11.671 1.00 0.00 O ATOM 250 CB TYR A 16 8.639 -24.632 -8.989 1.00 0.00 C ATOM 251 CG TYR A 16 8.425 -25.116 -7.576 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.280 -25.857 -7.257 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.373 -24.831 -6.586 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.083 -26.310 -5.948 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.175 -25.285 -5.278 1.00 0.00 C ATOM 256 CZ TYR A 16 8.030 -26.025 -4.959 1.00 0.00 C ATOM 257 OH TYR A 16 7.837 -26.475 -3.670 1.00 0.00 O ATOM 0 H TYR A 16 9.768 -24.432 -11.369 1.00 0.00 H new ATOM 0 HA TYR A 16 9.670 -26.508 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.359 -23.814 -9.001 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.707 -24.242 -9.398 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.550 -26.079 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.257 -24.261 -6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.199 -26.880 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.906 -25.065 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 16 8.453 -26.010 -3.066 1.00 0.00 H new ATOM 267 N LEU A 17 7.294 -27.360 -9.827 1.00 0.00 N ATOM 268 CA LEU A 17 6.131 -28.065 -10.435 1.00 0.00 C ATOM 269 C LEU A 17 4.867 -27.755 -9.630 1.00 0.00 C ATOM 270 O LEU A 17 4.778 -28.051 -8.455 1.00 0.00 O ATOM 271 CB LEU A 17 6.385 -29.574 -10.423 1.00 0.00 C ATOM 272 CG LEU A 17 5.212 -30.293 -11.094 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.296 -30.104 -12.610 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.272 -31.786 -10.763 1.00 0.00 C ATOM 0 H LEU A 17 7.504 -27.619 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 17 5.999 -27.726 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.313 -29.802 -10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.503 -29.926 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 17 4.274 -29.876 -10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.461 -30.616 -13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.253 -29.041 -12.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.234 -30.520 -12.977 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.437 -32.298 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.210 -32.202 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.211 -31.922 -9.683 1.00 0.00 H new ATOM 286 N CYS A 18 3.888 -27.162 -10.255 1.00 0.00 N ATOM 287 CA CYS A 18 2.628 -26.833 -9.530 1.00 0.00 C ATOM 288 C CYS A 18 1.432 -27.214 -10.404 1.00 0.00 C ATOM 289 O CYS A 18 1.540 -27.305 -11.611 1.00 0.00 O ATOM 290 CB CYS A 18 2.589 -25.334 -9.231 1.00 0.00 C ATOM 291 SG CYS A 18 4.018 -24.890 -8.215 1.00 0.00 S ATOM 0 H CYS A 18 3.906 -26.890 -11.238 1.00 0.00 H new ATOM 0 HA CYS A 18 2.587 -27.388 -8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.599 -24.766 -10.161 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.665 -25.079 -8.711 1.00 0.00 H new ATOM 296 N PRO A 19 0.269 -27.439 -9.777 1.00 0.00 N ATOM 297 CA PRO A 19 -0.954 -27.811 -10.496 1.00 0.00 C ATOM 298 C PRO A 19 -1.512 -26.637 -11.302 1.00 0.00 C ATOM 299 O PRO A 19 -1.103 -25.506 -11.132 1.00 0.00 O ATOM 300 CB PRO A 19 -1.926 -28.188 -9.379 1.00 0.00 C ATOM 301 CG PRO A 19 -1.438 -27.440 -8.185 1.00 0.00 C ATOM 302 CD PRO A 19 0.057 -27.347 -8.323 1.00 0.00 C ATOM 0 HA PRO A 19 -0.781 -28.612 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.948 -27.907 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.926 -29.263 -9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.886 -26.447 -8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.712 -27.956 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.441 -26.410 -7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.561 -28.154 -7.791 1.00 0.00 H new ATOM 310 N LYS A 20 -2.442 -26.895 -12.178 1.00 0.00 N ATOM 311 CA LYS A 20 -3.020 -25.790 -12.991 1.00 0.00 C ATOM 312 C LYS A 20 -4.222 -25.192 -12.256 1.00 0.00 C ATOM 313 O LYS A 20 -4.699 -24.126 -12.591 1.00 0.00 O ATOM 314 CB LYS A 20 -3.465 -26.333 -14.350 1.00 0.00 C ATOM 315 CG LYS A 20 -2.237 -26.792 -15.140 1.00 0.00 C ATOM 316 CD LYS A 20 -2.652 -27.148 -16.569 1.00 0.00 C ATOM 317 CE LYS A 20 -1.434 -27.657 -17.344 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.813 -27.887 -18.767 1.00 0.00 N ATOM 0 H LYS A 20 -2.826 -27.821 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.267 -25.017 -13.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.155 -27.165 -14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.001 -25.562 -14.904 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.485 -26.003 -15.154 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.783 -27.657 -14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.431 -27.911 -16.553 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.072 -26.273 -17.065 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.623 -26.932 -17.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.067 -28.582 -16.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.986 -28.233 -19.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.574 -28.594 -18.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.143 -26.995 -19.187 1.00 0.00 H new ATOM 332 N ASP A 21 -4.711 -25.868 -11.253 1.00 0.00 N ATOM 333 CA ASP A 21 -5.877 -25.334 -10.494 1.00 0.00 C ATOM 334 C ASP A 21 -5.420 -24.149 -9.642 1.00 0.00 C ATOM 335 O ASP A 21 -4.543 -24.273 -8.810 1.00 0.00 O ATOM 336 CB ASP A 21 -6.438 -26.430 -9.585 1.00 0.00 C ATOM 337 CG ASP A 21 -7.765 -25.963 -8.984 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.773 -26.080 -9.661 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.750 -25.498 -7.856 1.00 0.00 O ATOM 0 H ASP A 21 -4.354 -26.766 -10.926 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.651 -25.009 -11.189 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.587 -27.348 -10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.727 -26.658 -8.791 1.00 0.00 H new ATOM 344 N LEU A 22 -6.002 -22.998 -9.843 1.00 0.00 N ATOM 345 CA LEU A 22 -5.589 -21.810 -9.044 1.00 0.00 C ATOM 346 C LEU A 22 -6.327 -21.805 -7.705 1.00 0.00 C ATOM 347 O LEU A 22 -7.532 -21.663 -7.648 1.00 0.00 O ATOM 348 CB LEU A 22 -5.927 -20.529 -9.810 1.00 0.00 C ATOM 349 CG LEU A 22 -5.521 -19.317 -8.970 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.049 -19.443 -8.573 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.722 -18.037 -9.785 1.00 0.00 C ATOM 0 H LEU A 22 -6.743 -22.829 -10.523 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.514 -21.857 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.404 -20.515 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.994 -20.493 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.138 -19.275 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.758 -18.580 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.906 -20.353 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.432 -19.486 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.432 -17.174 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.106 -18.077 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.771 -17.947 -10.068 1.00 0.00 H new ATOM 363 N LYS A 23 -5.610 -21.950 -6.625 1.00 0.00 N ATOM 364 CA LYS A 23 -6.267 -21.945 -5.287 1.00 0.00 C ATOM 365 C LYS A 23 -5.551 -20.937 -4.386 1.00 0.00 C ATOM 366 O LYS A 23 -4.441 -21.161 -3.948 1.00 0.00 O ATOM 367 CB LYS A 23 -6.190 -23.343 -4.671 1.00 0.00 C ATOM 368 CG LYS A 23 -7.302 -24.214 -5.256 1.00 0.00 C ATOM 369 CD LYS A 23 -8.545 -24.117 -4.369 1.00 0.00 C ATOM 370 CE LYS A 23 -9.774 -23.850 -5.241 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.831 -22.402 -5.591 1.00 0.00 N ATOM 0 H LYS A 23 -4.597 -22.072 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.315 -21.663 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.217 -23.790 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.292 -23.282 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.539 -23.889 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.970 -25.250 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.678 -25.042 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.423 -23.317 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.727 -24.453 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.680 -24.143 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.771 -22.174 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.657 -21.832 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.105 -22.189 -6.305 1.00 0.00 H new ATOM 385 N PRO A 24 -6.207 -19.797 -4.117 1.00 0.00 N ATOM 386 CA PRO A 24 -5.645 -18.723 -3.282 1.00 0.00 C ATOM 387 C PRO A 24 -5.460 -19.153 -1.825 1.00 0.00 C ATOM 388 O PRO A 24 -6.399 -19.530 -1.155 1.00 0.00 O ATOM 389 CB PRO A 24 -6.694 -17.614 -3.378 1.00 0.00 C ATOM 390 CG PRO A 24 -7.959 -18.329 -3.708 1.00 0.00 C ATOM 391 CD PRO A 24 -7.559 -19.467 -4.601 1.00 0.00 C ATOM 0 HA PRO A 24 -4.653 -18.424 -3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.780 -17.066 -2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.435 -16.888 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.450 -18.693 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.664 -17.666 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.240 -20.313 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.553 -19.175 -5.651 1.00 0.00 H new ATOM 399 N VAL A 25 -4.251 -19.097 -1.331 1.00 0.00 N ATOM 400 CA VAL A 25 -4.005 -19.499 0.084 1.00 0.00 C ATOM 401 C VAL A 25 -3.467 -18.306 0.875 1.00 0.00 C ATOM 402 O VAL A 25 -2.884 -17.394 0.324 1.00 0.00 O ATOM 403 CB VAL A 25 -2.966 -20.622 0.127 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.491 -21.844 -0.624 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.671 -20.137 -0.530 1.00 0.00 C ATOM 0 H VAL A 25 -3.425 -18.791 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.943 -19.841 0.521 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.773 -20.896 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.747 -22.640 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.413 -22.189 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.688 -21.576 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.928 -20.934 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.869 -19.863 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.292 -19.269 0.009 1.00 0.00 H new ATOM 415 N CYS A 26 -3.643 -18.315 2.168 1.00 0.00 N ATOM 416 CA CYS A 26 -3.126 -17.191 2.999 1.00 0.00 C ATOM 417 C CYS A 26 -1.771 -17.593 3.587 1.00 0.00 C ATOM 418 O CYS A 26 -1.557 -18.731 3.955 1.00 0.00 O ATOM 419 CB CYS A 26 -4.111 -16.891 4.132 1.00 0.00 C ATOM 420 SG CYS A 26 -3.586 -15.399 5.012 1.00 0.00 S ATOM 0 H CYS A 26 -4.122 -19.052 2.685 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.012 -16.299 2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.114 -16.754 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.157 -17.735 4.821 1.00 0.00 H new ATOM 425 N GLY A 27 -0.850 -16.673 3.669 1.00 0.00 N ATOM 426 CA GLY A 27 0.493 -17.007 4.223 1.00 0.00 C ATOM 427 C GLY A 27 0.553 -16.630 5.705 1.00 0.00 C ATOM 428 O GLY A 27 0.074 -15.591 6.113 1.00 0.00 O ATOM 0 H GLY A 27 -0.969 -15.703 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.692 -18.072 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.267 -16.473 3.671 1.00 0.00 H new ATOM 432 N ASP A 28 1.142 -17.469 6.513 1.00 0.00 N ATOM 433 CA ASP A 28 1.239 -17.164 7.969 1.00 0.00 C ATOM 434 C ASP A 28 2.147 -15.951 8.179 1.00 0.00 C ATOM 435 O ASP A 28 2.164 -15.353 9.236 1.00 0.00 O ATOM 436 CB ASP A 28 1.822 -18.372 8.704 1.00 0.00 C ATOM 437 CG ASP A 28 3.191 -18.716 8.113 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.672 -17.949 7.296 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.734 -19.742 8.488 1.00 0.00 O ATOM 0 H ASP A 28 1.561 -18.354 6.227 1.00 0.00 H new ATOM 0 HA ASP A 28 0.246 -16.944 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.918 -18.153 9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.150 -19.225 8.614 1.00 0.00 H new ATOM 444 N ASP A 29 2.902 -15.582 7.181 1.00 0.00 N ATOM 445 CA ASP A 29 3.805 -14.406 7.330 1.00 0.00 C ATOM 446 C ASP A 29 3.024 -13.124 7.035 1.00 0.00 C ATOM 447 O ASP A 29 3.587 -12.052 6.936 1.00 0.00 O ATOM 448 CB ASP A 29 4.970 -14.529 6.347 1.00 0.00 C ATOM 449 CG ASP A 29 5.838 -15.729 6.731 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.642 -16.254 7.815 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.683 -16.103 5.935 1.00 0.00 O ATOM 0 H ASP A 29 2.933 -16.042 6.271 1.00 0.00 H new ATOM 0 HA ASP A 29 4.191 -14.372 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.592 -14.650 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.567 -13.617 6.358 1.00 0.00 H new ATOM 456 N GLY A 30 1.730 -13.225 6.891 1.00 0.00 N ATOM 457 CA GLY A 30 0.917 -12.012 6.600 1.00 0.00 C ATOM 458 C GLY A 30 0.906 -11.762 5.091 1.00 0.00 C ATOM 459 O GLY A 30 0.733 -10.648 4.636 1.00 0.00 O ATOM 0 H GLY A 30 1.202 -14.095 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.101 -12.146 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.332 -11.149 7.120 1.00 0.00 H new ATOM 463 N GLN A 31 1.090 -12.792 4.312 1.00 0.00 N ATOM 464 CA GLN A 31 1.091 -12.619 2.832 1.00 0.00 C ATOM 465 C GLN A 31 0.071 -13.574 2.210 1.00 0.00 C ATOM 466 O GLN A 31 -0.554 -14.359 2.893 1.00 0.00 O ATOM 467 CB GLN A 31 2.485 -12.936 2.287 1.00 0.00 C ATOM 468 CG GLN A 31 3.423 -11.760 2.571 1.00 0.00 C ATOM 469 CD GLN A 31 4.848 -12.129 2.153 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.091 -13.220 1.677 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.807 -11.259 2.313 1.00 0.00 N ATOM 0 H GLN A 31 1.240 -13.747 4.637 1.00 0.00 H new ATOM 0 HA GLN A 31 0.827 -11.591 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.871 -13.843 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.434 -13.124 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.090 -10.876 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.398 -11.509 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.603 -10.343 2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.761 -11.495 2.038 1.00 0.00 H new ATOM 480 N THR A 32 -0.101 -13.517 0.918 1.00 0.00 N ATOM 481 CA THR A 32 -1.077 -14.426 0.256 1.00 0.00 C ATOM 482 C THR A 32 -0.470 -14.961 -1.040 1.00 0.00 C ATOM 483 O THR A 32 0.165 -14.240 -1.784 1.00 0.00 O ATOM 484 CB THR A 32 -2.363 -13.661 -0.065 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.784 -12.939 1.084 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.452 -14.651 -0.477 1.00 0.00 C ATOM 0 H THR A 32 0.392 -12.880 0.293 1.00 0.00 H new ATOM 0 HA THR A 32 -1.309 -15.255 0.925 1.00 0.00 H new ATOM 0 HB THR A 32 -2.179 -12.963 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.597 -13.466 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.369 -14.108 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.127 -15.203 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.638 -15.349 0.340 1.00 0.00 H new ATOM 494 N TYR A 33 -0.658 -16.220 -1.315 1.00 0.00 N ATOM 495 CA TYR A 33 -0.092 -16.802 -2.562 1.00 0.00 C ATOM 496 C TYR A 33 -1.232 -17.310 -3.444 1.00 0.00 C ATOM 497 O TYR A 33 -2.015 -18.147 -3.043 1.00 0.00 O ATOM 498 CB TYR A 33 0.841 -17.957 -2.199 1.00 0.00 C ATOM 499 CG TYR A 33 1.872 -17.467 -1.210 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.543 -17.352 0.146 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.156 -17.122 -1.650 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.498 -16.894 1.062 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.110 -16.663 -0.734 1.00 0.00 C ATOM 504 CZ TYR A 33 3.781 -16.549 0.622 1.00 0.00 C ATOM 505 OH TYR A 33 4.722 -16.096 1.524 1.00 0.00 O ATOM 0 H TYR A 33 -1.180 -16.872 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 33 0.470 -16.042 -3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.270 -18.781 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.331 -18.340 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.553 -17.617 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.410 -17.210 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.244 -16.807 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.100 -16.397 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 33 4.763 -15.117 1.491 1.00 0.00 H new ATOM 515 N ASN A 34 -1.338 -16.800 -4.640 1.00 0.00 N ATOM 516 CA ASN A 34 -2.437 -17.245 -5.542 1.00 0.00 C ATOM 517 C ASN A 34 -2.529 -18.773 -5.534 1.00 0.00 C ATOM 518 O ASN A 34 -3.384 -19.344 -4.895 1.00 0.00 O ATOM 519 CB ASN A 34 -2.176 -16.744 -6.968 1.00 0.00 C ATOM 520 CG ASN A 34 -1.637 -15.314 -6.916 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.147 -14.484 -6.190 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.619 -14.989 -7.664 1.00 0.00 N ATOM 0 H ASN A 34 -0.712 -16.096 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.380 -16.830 -5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.460 -17.396 -7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.097 -16.776 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.251 -14.038 -7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.191 -15.686 -8.273 1.00 0.00 H new ATOM 529 N ASN A 35 -1.664 -19.441 -6.237 1.00 0.00 N ATOM 530 CA ASN A 35 -1.720 -20.930 -6.259 1.00 0.00 C ATOM 531 C ASN A 35 -1.031 -21.490 -5.012 1.00 0.00 C ATOM 532 O ASN A 35 -0.080 -20.924 -4.511 1.00 0.00 O ATOM 533 CB ASN A 35 -1.023 -21.437 -7.526 1.00 0.00 C ATOM 534 CG ASN A 35 -0.785 -22.944 -7.431 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.058 -23.402 -6.575 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.370 -23.737 -8.287 1.00 0.00 N ATOM 0 H ASN A 35 -0.921 -19.024 -6.798 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.758 -21.263 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.634 -21.212 -8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.073 -20.919 -7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.216 -24.744 -8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.981 -23.350 -9.006 1.00 0.00 H new ATOM 543 N PRO A 36 -1.527 -22.630 -4.501 1.00 0.00 N ATOM 544 CA PRO A 36 -0.966 -23.279 -3.306 1.00 0.00 C ATOM 545 C PRO A 36 0.475 -23.737 -3.535 1.00 0.00 C ATOM 546 O PRO A 36 1.367 -23.394 -2.784 1.00 0.00 O ATOM 547 CB PRO A 36 -1.889 -24.481 -3.088 1.00 0.00 C ATOM 548 CG PRO A 36 -2.471 -24.742 -4.434 1.00 0.00 C ATOM 549 CD PRO A 36 -2.667 -23.384 -5.045 1.00 0.00 C ATOM 0 HA PRO A 36 -0.922 -22.607 -2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.337 -25.345 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.664 -24.260 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.804 -25.354 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.416 -25.280 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.648 -23.421 -6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.621 -22.942 -4.758 1.00 0.00 H new ATOM 557 N CYS A 37 0.722 -24.490 -4.572 1.00 0.00 N ATOM 558 CA CYS A 37 2.116 -24.932 -4.837 1.00 0.00 C ATOM 559 C CYS A 37 2.966 -23.690 -5.105 1.00 0.00 C ATOM 560 O CYS A 37 4.154 -23.669 -4.854 1.00 0.00 O ATOM 561 CB CYS A 37 2.143 -25.856 -6.057 1.00 0.00 C ATOM 562 SG CYS A 37 3.854 -26.092 -6.602 1.00 0.00 S ATOM 0 H CYS A 37 0.024 -24.815 -5.241 1.00 0.00 H new ATOM 0 HA CYS A 37 2.509 -25.478 -3.980 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.694 -26.817 -5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.549 -25.427 -6.864 1.00 0.00 H new ATOM 567 N MET A 38 2.355 -22.646 -5.601 1.00 0.00 N ATOM 568 CA MET A 38 3.114 -21.396 -5.870 1.00 0.00 C ATOM 569 C MET A 38 3.619 -20.839 -4.540 1.00 0.00 C ATOM 570 O MET A 38 4.521 -20.026 -4.493 1.00 0.00 O ATOM 571 CB MET A 38 2.196 -20.371 -6.543 1.00 0.00 C ATOM 572 CG MET A 38 2.331 -20.486 -8.063 1.00 0.00 C ATOM 573 SD MET A 38 1.340 -19.196 -8.857 1.00 0.00 S ATOM 574 CE MET A 38 2.611 -17.907 -8.870 1.00 0.00 C ATOM 0 H MET A 38 1.362 -22.608 -5.831 1.00 0.00 H new ATOM 0 HA MET A 38 3.955 -21.604 -6.531 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.162 -20.542 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.458 -19.364 -6.219 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.377 -20.387 -8.354 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.999 -21.470 -8.395 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.208 -17.003 -9.326 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.920 -17.691 -7.847 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.471 -18.250 -9.444 1.00 0.00 H new ATOM 584 N LEU A 39 3.045 -21.286 -3.455 1.00 0.00 N ATOM 585 CA LEU A 39 3.487 -20.805 -2.120 1.00 0.00 C ATOM 586 C LEU A 39 4.910 -21.295 -1.876 1.00 0.00 C ATOM 587 O LEU A 39 5.810 -20.520 -1.618 1.00 0.00 O ATOM 588 CB LEU A 39 2.551 -21.367 -1.050 1.00 0.00 C ATOM 589 CG LEU A 39 3.159 -21.144 0.334 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.131 -19.652 0.668 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.349 -21.914 1.378 1.00 0.00 C ATOM 0 H LEU A 39 2.286 -21.967 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 39 3.462 -19.716 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.577 -20.881 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.387 -22.431 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 39 4.189 -21.499 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.565 -19.492 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.708 -19.102 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.100 -19.297 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.783 -21.755 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.318 -21.559 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.368 -22.978 1.141 1.00 0.00 H new ATOM 603 N CYS A 40 5.127 -22.575 -1.981 1.00 0.00 N ATOM 604 CA CYS A 40 6.500 -23.108 -1.783 1.00 0.00 C ATOM 605 C CYS A 40 7.413 -22.467 -2.826 1.00 0.00 C ATOM 606 O CYS A 40 8.599 -22.304 -2.618 1.00 0.00 O ATOM 607 CB CYS A 40 6.494 -24.623 -1.959 1.00 0.00 C ATOM 608 SG CYS A 40 7.983 -25.307 -1.203 1.00 0.00 S ATOM 0 H CYS A 40 4.414 -23.273 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 40 6.856 -22.876 -0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.605 -25.052 -1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.457 -24.879 -3.018 1.00 0.00 H new ATOM 613 N HIS A 41 6.857 -22.086 -3.946 1.00 0.00 N ATOM 614 CA HIS A 41 7.674 -21.435 -5.006 1.00 0.00 C ATOM 615 C HIS A 41 8.223 -20.121 -4.458 1.00 0.00 C ATOM 616 O HIS A 41 9.418 -19.905 -4.415 1.00 0.00 O ATOM 617 CB HIS A 41 6.792 -21.148 -6.221 1.00 0.00 C ATOM 618 CG HIS A 41 7.653 -20.947 -7.440 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.541 -21.912 -7.886 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.771 -19.895 -8.316 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.149 -21.428 -8.985 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.716 -20.201 -9.290 1.00 0.00 N ATOM 0 H HIS A 41 5.869 -22.199 -4.171 1.00 0.00 H new ATOM 0 HA HIS A 41 8.494 -22.089 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.102 -21.976 -6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.187 -20.259 -6.041 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.704 -22.824 -7.459 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.215 -18.971 -8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.895 -21.965 -9.551 1.00 0.00 H new ATOM 630 N GLU A 42 7.359 -19.245 -4.023 1.00 0.00 N ATOM 631 CA GLU A 42 7.838 -17.956 -3.461 1.00 0.00 C ATOM 632 C GLU A 42 8.701 -18.260 -2.239 1.00 0.00 C ATOM 633 O GLU A 42 9.525 -17.466 -1.827 1.00 0.00 O ATOM 634 CB GLU A 42 6.639 -17.096 -3.049 1.00 0.00 C ATOM 635 CG GLU A 42 7.100 -15.658 -2.805 1.00 0.00 C ATOM 636 CD GLU A 42 5.879 -14.745 -2.680 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.821 -15.138 -3.144 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.022 -13.669 -2.123 1.00 0.00 O ATOM 0 H GLU A 42 6.346 -19.368 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 42 8.419 -17.412 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.878 -17.117 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.182 -17.500 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.700 -15.606 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.735 -15.324 -3.626 1.00 0.00 H new ATOM 645 N ASN A 43 8.525 -19.421 -1.667 1.00 0.00 N ATOM 646 CA ASN A 43 9.338 -19.801 -0.480 1.00 0.00 C ATOM 647 C ASN A 43 10.711 -20.275 -0.955 1.00 0.00 C ATOM 648 O ASN A 43 11.694 -20.177 -0.249 1.00 0.00 O ATOM 649 CB ASN A 43 8.641 -20.931 0.282 1.00 0.00 C ATOM 650 CG ASN A 43 7.312 -20.424 0.848 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.129 -19.237 1.028 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.371 -21.280 1.139 1.00 0.00 N ATOM 0 H ASN A 43 7.851 -20.123 -1.973 1.00 0.00 H new ATOM 0 HA ASN A 43 9.450 -18.942 0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.466 -21.777 -0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.280 -21.287 1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.482 -20.952 1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.524 -22.277 0.988 1.00 0.00 H new ATOM 659 N LEU A 44 10.784 -20.782 -2.156 1.00 0.00 N ATOM 660 CA LEU A 44 12.091 -21.255 -2.690 1.00 0.00 C ATOM 661 C LEU A 44 13.026 -20.055 -2.852 1.00 0.00 C ATOM 662 O LEU A 44 14.214 -20.144 -2.615 1.00 0.00 O ATOM 663 CB LEU A 44 11.871 -21.926 -4.048 1.00 0.00 C ATOM 664 CG LEU A 44 13.195 -22.490 -4.567 1.00 0.00 C ATOM 665 CD1 LEU A 44 13.618 -23.680 -3.704 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.016 -22.950 -6.015 1.00 0.00 C ATOM 0 H LEU A 44 9.993 -20.889 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 44 12.536 -21.974 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.136 -22.726 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.468 -21.205 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 44 13.963 -21.718 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.561 -24.081 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.743 -23.354 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.852 -24.454 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.958 -23.352 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.248 -23.723 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.714 -22.103 -6.631 1.00 0.00 H new ATOM 678 N ILE A 45 12.495 -18.928 -3.246 1.00 0.00 N ATOM 679 CA ILE A 45 13.351 -17.720 -3.410 1.00 0.00 C ATOM 680 C ILE A 45 13.591 -17.089 -2.038 1.00 0.00 C ATOM 681 O ILE A 45 14.707 -16.776 -1.673 1.00 0.00 O ATOM 682 CB ILE A 45 12.652 -16.705 -4.317 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.964 -17.433 -5.472 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.687 -15.727 -4.877 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.338 -16.406 -6.419 1.00 0.00 C ATOM 0 H ILE A 45 11.507 -18.793 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 45 14.301 -18.008 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 45 11.906 -16.159 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.685 -18.048 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.197 -18.105 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.191 -15.003 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.176 -15.204 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.433 -16.276 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.847 -16.923 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.604 -15.810 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.116 -15.752 -6.813 1.00 0.00 H new ATOM 697 N ARG A 46 12.548 -16.901 -1.275 1.00 0.00 N ATOM 698 CA ARG A 46 12.710 -16.292 0.076 1.00 0.00 C ATOM 699 C ARG A 46 13.404 -17.288 1.006 1.00 0.00 C ATOM 700 O ARG A 46 14.237 -16.926 1.812 1.00 0.00 O ATOM 701 CB ARG A 46 11.334 -15.944 0.647 1.00 0.00 C ATOM 702 CG ARG A 46 10.680 -14.857 -0.209 1.00 0.00 C ATOM 703 CD ARG A 46 9.347 -14.450 0.422 1.00 0.00 C ATOM 704 NE ARG A 46 8.613 -13.540 -0.502 1.00 0.00 N ATOM 705 CZ ARG A 46 9.117 -12.376 -0.809 1.00 0.00 C ATOM 706 NH1 ARG A 46 10.026 -11.835 -0.044 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.711 -11.753 -1.881 1.00 0.00 N ATOM 0 H ARG A 46 11.590 -17.143 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 46 13.312 -15.387 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.703 -16.833 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.433 -15.599 1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.339 -13.992 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.519 -15.224 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.746 -15.335 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.522 -13.952 1.376 1.00 0.00 H new ATOM 0 HE ARG A 46 7.716 -13.827 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.343 -12.322 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.419 -10.925 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.000 -12.176 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.104 -10.843 -2.122 1.00 0.00 H new ATOM 721 N GLN A 47 13.061 -18.541 0.901 1.00 0.00 N ATOM 722 CA GLN A 47 13.690 -19.569 1.778 1.00 0.00 C ATOM 723 C GLN A 47 13.320 -19.289 3.236 1.00 0.00 C ATOM 724 O GLN A 47 14.136 -19.411 4.128 1.00 0.00 O ATOM 725 CB GLN A 47 15.212 -19.523 1.616 1.00 0.00 C ATOM 726 CG GLN A 47 15.580 -19.830 0.163 1.00 0.00 C ATOM 727 CD GLN A 47 17.100 -19.762 -0.005 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.796 -19.256 0.853 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.648 -20.254 -1.083 1.00 0.00 N ATOM 0 H GLN A 47 12.369 -18.900 0.243 1.00 0.00 H new ATOM 0 HA GLN A 47 13.329 -20.558 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.589 -18.540 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.681 -20.247 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.217 -20.820 -0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.098 -19.116 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.064 -20.679 -1.803 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.660 -20.214 -1.205 1.00 0.00 H new ATOM 738 N THR A 48 12.094 -18.915 3.486 1.00 0.00 N ATOM 739 CA THR A 48 11.672 -18.630 4.886 1.00 0.00 C ATOM 740 C THR A 48 10.729 -19.734 5.373 1.00 0.00 C ATOM 741 O THR A 48 10.181 -19.662 6.455 1.00 0.00 O ATOM 742 CB THR A 48 10.947 -17.281 4.937 1.00 0.00 C ATOM 743 OG1 THR A 48 9.724 -17.374 4.221 1.00 0.00 O ATOM 744 CG2 THR A 48 11.827 -16.201 4.308 1.00 0.00 C ATOM 0 H THR A 48 11.367 -18.795 2.781 1.00 0.00 H new ATOM 0 HA THR A 48 12.552 -18.595 5.529 1.00 0.00 H new ATOM 0 HB THR A 48 10.742 -17.019 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.016 -17.686 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.309 -15.242 4.345 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.765 -16.129 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.036 -16.460 3.270 1.00 0.00 H new ATOM 752 N ASN A 49 10.536 -20.756 4.584 1.00 0.00 N ATOM 753 CA ASN A 49 9.630 -21.863 5.003 1.00 0.00 C ATOM 754 C ASN A 49 8.273 -21.288 5.414 1.00 0.00 C ATOM 755 O ASN A 49 7.828 -21.459 6.532 1.00 0.00 O ATOM 756 CB ASN A 49 10.247 -22.611 6.187 1.00 0.00 C ATOM 757 CG ASN A 49 9.557 -23.967 6.352 1.00 0.00 C ATOM 758 OD1 ASN A 49 8.791 -24.379 5.503 1.00 0.00 O ATOM 759 ND2 ASN A 49 9.797 -24.683 7.416 1.00 0.00 N ATOM 0 H ASN A 49 10.967 -20.872 3.667 1.00 0.00 H new ATOM 0 HA ASN A 49 9.494 -22.552 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.315 -22.752 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.139 -22.023 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.342 -25.588 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.440 -24.338 8.129 1.00 0.00 H new ATOM 766 N THR A 50 7.612 -20.607 4.519 1.00 0.00 N ATOM 767 CA THR A 50 6.285 -20.024 4.858 1.00 0.00 C ATOM 768 C THR A 50 5.215 -21.114 4.782 1.00 0.00 C ATOM 769 O THR A 50 5.242 -21.966 3.916 1.00 0.00 O ATOM 770 CB THR A 50 5.944 -18.911 3.864 1.00 0.00 C ATOM 771 OG1 THR A 50 7.005 -17.967 3.831 1.00 0.00 O ATOM 772 CG2 THR A 50 4.650 -18.215 4.297 1.00 0.00 C ATOM 0 H THR A 50 7.934 -20.429 3.568 1.00 0.00 H new ATOM 0 HA THR A 50 6.319 -19.613 5.867 1.00 0.00 H new ATOM 0 HB THR A 50 5.808 -19.339 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.900 -17.331 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.408 -17.423 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.837 -18.941 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.783 -17.786 5.290 1.00 0.00 H new ATOM 780 N HIS A 51 4.270 -21.089 5.679 1.00 0.00 N ATOM 781 CA HIS A 51 3.194 -22.117 5.656 1.00 0.00 C ATOM 782 C HIS A 51 1.863 -21.436 5.338 1.00 0.00 C ATOM 783 O HIS A 51 1.756 -20.226 5.367 1.00 0.00 O ATOM 784 CB HIS A 51 3.108 -22.795 7.024 1.00 0.00 C ATOM 785 CG HIS A 51 4.473 -23.281 7.427 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.039 -24.532 7.429 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 5.452 -22.422 7.903 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 6.347 -24.453 7.898 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 6.545 -23.161 8.169 1.00 0.00 N flip ATOM 0 H HIS A 51 4.196 -20.400 6.428 1.00 0.00 H new ATOM 0 HA HIS A 51 3.415 -22.867 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.726 -22.094 7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.409 -23.631 6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.355 -21.355 8.036 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.051 -25.263 8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.418 -22.780 8.533 1.00 0.00 H new ATOM 797 N ILE A 52 0.847 -22.194 5.033 1.00 0.00 N ATOM 798 CA ILE A 52 -0.466 -21.567 4.716 1.00 0.00 C ATOM 799 C ILE A 52 -1.180 -21.197 6.016 1.00 0.00 C ATOM 800 O ILE A 52 -1.353 -22.015 6.898 1.00 0.00 O ATOM 801 CB ILE A 52 -1.331 -22.545 3.924 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.596 -22.959 2.647 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.649 -21.858 3.559 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.515 -23.830 1.790 1.00 0.00 C ATOM 0 H ILE A 52 0.868 -23.213 4.990 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.300 -20.670 4.120 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.532 -23.432 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.290 -22.075 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.312 -23.507 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.274 -22.548 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.169 -21.561 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.444 -20.975 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.992 -24.125 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.799 -24.721 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.410 -23.266 1.527 1.00 0.00 H new ATOM 816 N ARG A 53 -1.598 -19.970 6.138 1.00 0.00 N ATOM 817 CA ARG A 53 -2.306 -19.540 7.376 1.00 0.00 C ATOM 818 C ARG A 53 -3.763 -19.991 7.302 1.00 0.00 C ATOM 819 O ARG A 53 -4.331 -20.468 8.264 1.00 0.00 O ATOM 820 CB ARG A 53 -2.250 -18.016 7.484 1.00 0.00 C ATOM 821 CG ARG A 53 -3.005 -17.564 8.735 1.00 0.00 C ATOM 822 CD ARG A 53 -2.972 -16.037 8.827 1.00 0.00 C ATOM 823 NE ARG A 53 -3.554 -15.606 10.128 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.719 -14.337 10.380 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.289 -13.564 9.496 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.312 -13.839 11.516 1.00 0.00 N ATOM 0 H ARG A 53 -1.480 -19.243 5.432 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.829 -19.985 8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.213 -17.682 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.691 -17.562 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.036 -17.914 8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.552 -18.002 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.946 -15.679 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.535 -15.600 8.002 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.824 -16.303 10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.606 -13.952 8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.418 -12.572 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.865 -14.442 12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.441 -12.847 11.713 1.00 0.00 H new ATOM 840 N SER A 54 -4.367 -19.841 6.159 1.00 0.00 N ATOM 841 CA SER A 54 -5.787 -20.255 5.996 1.00 0.00 C ATOM 842 C SER A 54 -6.084 -20.432 4.507 1.00 0.00 C ATOM 843 O SER A 54 -5.423 -19.861 3.663 1.00 0.00 O ATOM 844 CB SER A 54 -6.704 -19.178 6.576 1.00 0.00 C ATOM 845 OG SER A 54 -7.962 -19.752 6.899 1.00 0.00 O ATOM 0 H SER A 54 -3.935 -19.446 5.324 1.00 0.00 H new ATOM 0 HA SER A 54 -5.960 -21.194 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.252 -18.741 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.835 -18.370 5.856 1.00 0.00 H new ATOM 0 HG SER A 54 -8.550 -19.063 7.273 1.00 0.00 H new ATOM 851 N THR A 55 -7.069 -21.217 4.174 1.00 0.00 N ATOM 852 CA THR A 55 -7.395 -21.421 2.736 1.00 0.00 C ATOM 853 C THR A 55 -8.013 -20.143 2.167 1.00 0.00 C ATOM 854 O THR A 55 -8.741 -19.440 2.839 1.00 0.00 O ATOM 855 CB THR A 55 -8.385 -22.579 2.594 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.674 -22.152 3.011 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.927 -23.751 3.462 1.00 0.00 C ATOM 0 H THR A 55 -7.660 -21.724 4.832 1.00 0.00 H new ATOM 0 HA THR A 55 -6.484 -21.657 2.187 1.00 0.00 H new ATOM 0 HB THR A 55 -8.428 -22.896 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.310 -22.892 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.632 -24.576 3.361 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.938 -24.077 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.884 -23.436 4.505 1.00 0.00 H new ATOM 865 N GLY A 56 -7.723 -19.837 0.933 1.00 0.00 N ATOM 866 CA GLY A 56 -8.286 -18.604 0.317 1.00 0.00 C ATOM 867 C GLY A 56 -7.318 -17.442 0.535 1.00 0.00 C ATOM 868 O GLY A 56 -6.397 -17.525 1.323 1.00 0.00 O ATOM 0 H GLY A 56 -7.119 -20.389 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.451 -18.759 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.255 -18.373 0.759 1.00 0.00 H new ATOM 872 N LYS A 57 -7.522 -16.359 -0.157 1.00 0.00 N ATOM 873 CA LYS A 57 -6.616 -15.188 0.007 1.00 0.00 C ATOM 874 C LYS A 57 -6.789 -14.604 1.411 1.00 0.00 C ATOM 875 O LYS A 57 -7.851 -14.674 1.995 1.00 0.00 O ATOM 876 CB LYS A 57 -6.962 -14.122 -1.035 1.00 0.00 C ATOM 877 CG LYS A 57 -6.781 -14.703 -2.440 1.00 0.00 C ATOM 878 CD LYS A 57 -6.839 -13.573 -3.470 1.00 0.00 C ATOM 879 CE LYS A 57 -6.764 -14.163 -4.879 1.00 0.00 C ATOM 880 NZ LYS A 57 -8.077 -14.774 -5.232 1.00 0.00 N ATOM 0 H LYS A 57 -8.278 -16.232 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.583 -15.507 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.990 -13.785 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.321 -13.250 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.826 -15.224 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.560 -15.437 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.762 -13.005 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.014 -12.879 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.508 -13.385 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.976 -14.914 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.926 -15.739 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.682 -14.810 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.541 -14.201 -5.966 1.00 0.00 H new ATOM 894 N CYS A 58 -5.753 -14.029 1.957 1.00 0.00 N ATOM 895 CA CYS A 58 -5.862 -13.443 3.323 1.00 0.00 C ATOM 896 C CYS A 58 -6.946 -12.362 3.327 1.00 0.00 C ATOM 897 O CYS A 58 -7.226 -11.746 2.318 1.00 0.00 O ATOM 898 CB CYS A 58 -4.519 -12.825 3.722 1.00 0.00 C ATOM 899 SG CYS A 58 -3.210 -14.063 3.545 1.00 0.00 S ATOM 0 H CYS A 58 -4.837 -13.940 1.517 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.126 -14.224 4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.304 -11.960 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.561 -12.469 4.752 1.00 0.00 H new ATOM 904 N GLU A 59 -7.560 -12.129 4.456 1.00 0.00 N ATOM 905 CA GLU A 59 -8.627 -11.090 4.523 1.00 0.00 C ATOM 906 C GLU A 59 -8.434 -10.239 5.780 1.00 0.00 C ATOM 907 O GLU A 59 -8.904 -10.651 6.828 1.00 0.00 O ATOM 908 CB GLU A 59 -9.998 -11.770 4.574 1.00 0.00 C ATOM 909 CG GLU A 59 -11.097 -10.713 4.446 1.00 0.00 C ATOM 910 CD GLU A 59 -12.467 -11.380 4.593 1.00 0.00 C ATOM 911 OE1 GLU A 59 -12.500 -12.585 4.779 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.459 -10.674 4.517 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.819 -9.191 5.673 1.00 0.00 O ATOM 0 H GLU A 59 -7.369 -12.613 5.333 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.569 -10.453 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.084 -12.499 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.111 -12.315 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.970 -9.947 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.026 -10.214 3.480 1.00 0.00 H new TER 920 GLU A 59