USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 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= 0.398 USER MOD Set 1.2: A 50 THR OG1 : rot 50:sc= 0.151! USER MOD Set 2.1: A 31 GLN : amide:sc= 0.206 K(o=0.13,f=-6.5!) USER MOD Set 2.2: A 33 TYR OH : rot -89:sc= -0.0785 USER MOD Set 3.1: A 8 TYR OH : rot 52:sc= -5.17! USER MOD Set 3.2: A 16 TYR OH : rot 88:sc= -0.632! USER MOD Set 4.1: A 2 SER OG : rot -155:sc= 1.08 USER MOD Set 4.2: A 43 ASN : amide:sc= -5.24 K(o=-4.2,f=-8.1!) USER MOD Set 5.1: A 1 ASP N :NH3+ -122:sc= 0.137 (180deg=0.0285) USER MOD Set 5.2: A 4 MET CE :methyl -154:sc= -0.352 (180deg=-1.68!) USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.164) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc=-0.00475 (180deg=-0.191) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0741) USER MOD Single : A 32 THR OG1 : rot -52:sc= 0.53 USER MOD Single : A 34 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.36) USER MOD Single : A 35 ASN : amide:sc= -7.43! C(o=-7.4!,f=-21!) USER MOD Single : A 38 MET CE :methyl -153:sc= -0.237 (180deg=-1.34) USER MOD Single : A 41 HIS : no HE2:sc= 0.641 K(o=0.64,f=-3.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 ASN : amide:sc= -0.0715 K(o=-0.072,f=-1.8!) USER MOD Single : A 51 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-1.8) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.125 -28.576 2.700 1.00 0.00 N ATOM 2 CA ASP A 1 0.702 -27.291 3.188 1.00 0.00 C ATOM 3 C ASP A 1 2.168 -27.193 2.759 1.00 0.00 C ATOM 4 O ASP A 1 2.709 -28.097 2.155 1.00 0.00 O ATOM 5 CB ASP A 1 0.616 -27.240 4.715 1.00 0.00 C ATOM 6 CG ASP A 1 -0.852 -27.199 5.144 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.693 -26.983 4.286 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.110 -27.383 6.322 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.698 -28.380 2.095 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.842 -29.093 2.152 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.173 -29.153 3.512 1.00 0.00 H new ATOM 0 HA ASP A 1 0.142 -26.458 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.107 -28.112 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.140 -26.361 5.090 1.00 0.00 H new ATOM 15 N SER A 2 2.814 -26.101 3.066 1.00 0.00 N ATOM 16 CA SER A 2 4.244 -25.945 2.678 1.00 0.00 C ATOM 17 C SER A 2 5.040 -27.158 3.161 1.00 0.00 C ATOM 18 O SER A 2 5.912 -27.654 2.476 1.00 0.00 O ATOM 19 CB SER A 2 4.814 -24.682 3.321 1.00 0.00 C ATOM 20 OG SER A 2 4.568 -23.567 2.477 1.00 0.00 O ATOM 0 H SER A 2 2.412 -25.310 3.569 1.00 0.00 H new ATOM 0 HA SER A 2 4.316 -25.868 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.357 -24.520 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.885 -24.797 3.486 1.00 0.00 H new ATOM 0 HG SER A 2 5.238 -22.872 2.649 1.00 0.00 H new ATOM 26 N GLU A 3 4.741 -27.639 4.334 1.00 0.00 N ATOM 27 CA GLU A 3 5.475 -28.821 4.860 1.00 0.00 C ATOM 28 C GLU A 3 5.464 -29.913 3.795 1.00 0.00 C ATOM 29 O GLU A 3 6.387 -30.694 3.677 1.00 0.00 O ATOM 30 CB GLU A 3 4.786 -29.328 6.128 1.00 0.00 C ATOM 31 CG GLU A 3 5.381 -28.622 7.349 1.00 0.00 C ATOM 32 CD GLU A 3 4.618 -29.043 8.607 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.932 -30.050 8.550 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.733 -28.350 9.605 1.00 0.00 O ATOM 0 H GLU A 3 4.020 -27.265 4.951 1.00 0.00 H new ATOM 0 HA GLU A 3 6.502 -28.548 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.714 -29.140 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.916 -30.406 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.436 -28.875 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.323 -27.541 7.221 1.00 0.00 H new ATOM 41 N MET A 4 4.427 -29.958 3.007 1.00 0.00 N ATOM 42 CA MET A 4 4.354 -30.983 1.931 1.00 0.00 C ATOM 43 C MET A 4 5.450 -30.697 0.905 1.00 0.00 C ATOM 44 O MET A 4 5.937 -31.585 0.234 1.00 0.00 O ATOM 45 CB MET A 4 2.986 -30.914 1.251 1.00 0.00 C ATOM 46 CG MET A 4 2.848 -32.070 0.259 1.00 0.00 C ATOM 47 SD MET A 4 1.303 -31.890 -0.667 1.00 0.00 S ATOM 48 CE MET A 4 0.183 -31.897 0.754 1.00 0.00 C ATOM 0 H MET A 4 3.626 -29.328 3.062 1.00 0.00 H new ATOM 0 HA MET A 4 4.493 -31.978 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.194 -30.966 1.998 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.874 -29.962 0.733 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.696 -32.079 -0.426 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.857 -33.022 0.790 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.799 -32.254 0.442 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.580 -32.556 1.527 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.092 -30.886 1.151 1.00 0.00 H new ATOM 58 N CYS A 5 5.846 -29.459 0.787 1.00 0.00 N ATOM 59 CA CYS A 5 6.915 -29.105 -0.186 1.00 0.00 C ATOM 60 C CYS A 5 8.279 -29.435 0.425 1.00 0.00 C ATOM 61 O CYS A 5 9.296 -29.396 -0.239 1.00 0.00 O ATOM 62 CB CYS A 5 6.833 -27.610 -0.505 1.00 0.00 C ATOM 63 SG CYS A 5 5.242 -27.253 -1.290 1.00 0.00 S ATOM 0 H CYS A 5 5.473 -28.676 1.325 1.00 0.00 H new ATOM 0 HA CYS A 5 6.785 -29.675 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.940 -27.025 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.651 -27.322 -1.166 1.00 0.00 H new ATOM 68 N LYS A 6 8.310 -29.769 1.687 1.00 0.00 N ATOM 69 CA LYS A 6 9.608 -30.112 2.335 1.00 0.00 C ATOM 70 C LYS A 6 9.979 -31.564 2.008 1.00 0.00 C ATOM 71 O LYS A 6 10.881 -32.127 2.597 1.00 0.00 O ATOM 72 CB LYS A 6 9.480 -29.951 3.851 1.00 0.00 C ATOM 73 CG LYS A 6 9.000 -28.535 4.174 1.00 0.00 C ATOM 74 CD LYS A 6 9.187 -28.260 5.669 1.00 0.00 C ATOM 75 CE LYS A 6 8.767 -26.822 5.983 1.00 0.00 C ATOM 76 NZ LYS A 6 9.981 -25.980 6.177 1.00 0.00 N ATOM 0 H LYS A 6 7.494 -29.819 2.296 1.00 0.00 H new ATOM 0 HA LYS A 6 10.385 -29.445 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.777 -30.684 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.441 -30.139 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.560 -27.807 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.950 -28.425 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.591 -28.960 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.229 -28.415 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.161 -26.423 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.149 -26.800 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.765 -24.995 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.277 -26.022 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.749 -26.334 5.572 1.00 0.00 H new ATOM 90 N ASP A 7 9.286 -32.183 1.088 1.00 0.00 N ATOM 91 CA ASP A 7 9.602 -33.601 0.749 1.00 0.00 C ATOM 92 C ASP A 7 9.818 -33.761 -0.761 1.00 0.00 C ATOM 93 O ASP A 7 9.939 -34.862 -1.260 1.00 0.00 O ATOM 94 CB ASP A 7 8.440 -34.493 1.192 1.00 0.00 C ATOM 95 CG ASP A 7 7.169 -34.083 0.445 1.00 0.00 C ATOM 96 OD1 ASP A 7 7.285 -33.356 -0.527 1.00 0.00 O ATOM 97 OD2 ASP A 7 6.101 -34.504 0.858 1.00 0.00 O ATOM 0 H ASP A 7 8.518 -31.769 0.559 1.00 0.00 H new ATOM 0 HA ASP A 7 10.517 -33.891 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.672 -35.539 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.288 -34.403 2.268 1.00 0.00 H new ATOM 102 N TYR A 8 9.870 -32.683 -1.500 1.00 0.00 N ATOM 103 CA TYR A 8 10.083 -32.811 -2.974 1.00 0.00 C ATOM 104 C TYR A 8 11.502 -32.356 -3.332 1.00 0.00 C ATOM 105 O TYR A 8 12.289 -32.001 -2.477 1.00 0.00 O ATOM 106 CB TYR A 8 9.050 -31.959 -3.731 1.00 0.00 C ATOM 107 CG TYR A 8 9.507 -30.518 -3.803 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.353 -30.097 -4.838 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.091 -29.608 -2.829 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.778 -28.765 -4.896 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.518 -28.276 -2.886 1.00 0.00 C ATOM 112 CZ TYR A 8 10.361 -27.854 -3.919 1.00 0.00 C ATOM 113 OH TYR A 8 10.782 -26.541 -3.976 1.00 0.00 O ATOM 0 H TYR A 8 9.775 -31.729 -1.152 1.00 0.00 H new ATOM 0 HA TYR A 8 9.958 -33.854 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.911 -32.354 -4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.084 -32.016 -3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.677 -30.800 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.439 -29.932 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.428 -28.440 -5.695 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.196 -27.574 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 8 10.594 -26.176 -4.866 1.00 0.00 H new ATOM 123 N ARG A 9 11.827 -32.359 -4.596 1.00 0.00 N ATOM 124 CA ARG A 9 13.185 -31.921 -5.024 1.00 0.00 C ATOM 125 C ARG A 9 13.108 -31.356 -6.444 1.00 0.00 C ATOM 126 O ARG A 9 12.581 -31.980 -7.343 1.00 0.00 O ATOM 127 CB ARG A 9 14.139 -33.116 -4.999 1.00 0.00 C ATOM 128 CG ARG A 9 14.581 -33.378 -3.560 1.00 0.00 C ATOM 129 CD ARG A 9 15.711 -34.408 -3.552 1.00 0.00 C ATOM 130 NE ARG A 9 15.774 -35.066 -2.217 1.00 0.00 N ATOM 131 CZ ARG A 9 16.168 -36.305 -2.119 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.381 -36.574 -1.725 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.347 -37.275 -2.418 1.00 0.00 N ATOM 0 H ARG A 9 11.207 -32.647 -5.353 1.00 0.00 H new ATOM 0 HA ARG A 9 13.553 -31.152 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.646 -33.998 -5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.007 -32.917 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.917 -32.450 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.739 -33.741 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.543 -35.154 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.661 -33.923 -3.775 1.00 0.00 H new ATOM 0 HE ARG A 9 15.509 -34.547 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.022 -35.815 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.689 -37.543 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.399 -37.063 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.654 -38.245 -2.342 1.00 0.00 H new ATOM 147 N VAL A 10 13.625 -30.177 -6.651 1.00 0.00 N ATOM 148 CA VAL A 10 13.574 -29.571 -8.012 1.00 0.00 C ATOM 149 C VAL A 10 14.981 -29.144 -8.440 1.00 0.00 C ATOM 150 O VAL A 10 15.787 -28.720 -7.635 1.00 0.00 O ATOM 151 CB VAL A 10 12.642 -28.354 -7.987 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.879 -27.491 -9.229 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.189 -28.833 -7.975 1.00 0.00 C ATOM 0 H VAL A 10 14.080 -29.607 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 10 13.195 -30.303 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 10 12.846 -27.763 -7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.214 -26.628 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.914 -27.151 -9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.678 -28.079 -10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.522 -27.971 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.994 -29.425 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.015 -29.445 -7.090 1.00 0.00 H new ATOM 163 N LEU A 11 15.279 -29.255 -9.705 1.00 0.00 N ATOM 164 CA LEU A 11 16.628 -28.861 -10.202 1.00 0.00 C ATOM 165 C LEU A 11 16.478 -27.722 -11.214 1.00 0.00 C ATOM 166 O LEU A 11 15.381 -27.326 -11.552 1.00 0.00 O ATOM 167 CB LEU A 11 17.285 -30.067 -10.878 1.00 0.00 C ATOM 168 CG LEU A 11 18.433 -30.578 -10.005 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.894 -30.958 -8.624 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.066 -31.807 -10.660 1.00 0.00 C ATOM 0 H LEU A 11 14.642 -29.604 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 11 17.248 -28.528 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.550 -30.857 -11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.660 -29.786 -11.862 1.00 0.00 H new ATOM 0 HG LEU A 11 19.184 -29.795 -9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.712 -31.322 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.444 -30.083 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.142 -31.740 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.884 -32.170 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.315 -32.590 -10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.451 -31.537 -11.644 1.00 0.00 H new ATOM 182 N PRO A 12 17.605 -27.188 -11.711 1.00 0.00 N ATOM 183 CA PRO A 12 17.596 -26.094 -12.691 1.00 0.00 C ATOM 184 C PRO A 12 17.020 -26.542 -14.037 1.00 0.00 C ATOM 185 O PRO A 12 16.565 -25.740 -14.827 1.00 0.00 O ATOM 186 CB PRO A 12 19.073 -25.735 -12.842 1.00 0.00 C ATOM 187 CG PRO A 12 19.799 -26.977 -12.451 1.00 0.00 C ATOM 188 CD PRO A 12 18.975 -27.603 -11.362 1.00 0.00 C ATOM 0 HA PRO A 12 16.975 -25.259 -12.368 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.308 -25.443 -13.865 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.346 -24.897 -12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.904 -27.653 -13.300 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.805 -26.748 -12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.078 -28.688 -11.349 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.268 -27.243 -10.376 1.00 0.00 H new ATOM 196 N ARG A 13 17.037 -27.820 -14.301 1.00 0.00 N ATOM 197 CA ARG A 13 16.491 -28.323 -15.593 1.00 0.00 C ATOM 198 C ARG A 13 15.050 -28.797 -15.389 1.00 0.00 C ATOM 199 O ARG A 13 14.245 -28.781 -16.299 1.00 0.00 O ATOM 200 CB ARG A 13 17.341 -29.495 -16.086 1.00 0.00 C ATOM 201 CG ARG A 13 18.724 -28.987 -16.497 1.00 0.00 C ATOM 202 CD ARG A 13 19.538 -30.144 -17.079 1.00 0.00 C ATOM 203 NE ARG A 13 20.959 -29.723 -17.233 1.00 0.00 N ATOM 204 CZ ARG A 13 21.271 -28.776 -18.073 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.467 -28.488 -19.060 1.00 0.00 N ATOM 206 NH2 ARG A 13 22.387 -28.114 -17.927 1.00 0.00 N ATOM 0 H ARG A 13 17.406 -28.538 -13.677 1.00 0.00 H new ATOM 0 HA ARG A 13 16.512 -27.520 -16.330 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.436 -30.244 -15.300 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.854 -29.980 -16.932 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.627 -28.190 -17.234 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.239 -28.563 -15.635 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.474 -31.013 -16.425 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.129 -30.441 -18.045 1.00 0.00 H new ATOM 0 HE ARG A 13 21.688 -30.176 -16.681 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.594 -29.004 -19.174 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.711 -27.747 -19.717 1.00 0.00 H new ATOM 0 HH21 ARG A 13 23.015 -28.338 -17.155 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.630 -27.373 -18.585 1.00 0.00 H new ATOM 220 N ILE A 14 14.719 -29.224 -14.200 1.00 0.00 N ATOM 221 CA ILE A 14 13.332 -29.704 -13.939 1.00 0.00 C ATOM 222 C ILE A 14 12.425 -28.513 -13.621 1.00 0.00 C ATOM 223 O ILE A 14 11.340 -28.387 -14.155 1.00 0.00 O ATOM 224 CB ILE A 14 13.343 -30.667 -12.750 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.280 -31.839 -13.051 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.927 -31.193 -12.507 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.954 -32.412 -14.432 1.00 0.00 C ATOM 0 H ILE A 14 15.349 -29.261 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 14 12.955 -30.218 -14.823 1.00 0.00 H new ATOM 0 HB ILE A 14 13.693 -30.143 -11.861 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.317 -31.506 -13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.170 -32.611 -12.290 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.934 -31.879 -11.660 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.261 -30.358 -12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.576 -31.717 -13.396 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.621 -33.247 -14.646 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.921 -32.760 -14.447 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.087 -31.638 -15.188 1.00 0.00 H new ATOM 239 N GLY A 15 12.857 -27.639 -12.755 1.00 0.00 N ATOM 240 CA GLY A 15 12.016 -26.459 -12.404 1.00 0.00 C ATOM 241 C GLY A 15 10.922 -26.887 -11.424 1.00 0.00 C ATOM 242 O GLY A 15 10.805 -28.045 -11.077 1.00 0.00 O ATOM 0 H GLY A 15 13.756 -27.690 -12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.633 -25.679 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.568 -26.037 -13.304 1.00 0.00 H new ATOM 246 N TYR A 16 10.120 -25.961 -10.973 1.00 0.00 N ATOM 247 CA TYR A 16 9.036 -26.318 -10.014 1.00 0.00 C ATOM 248 C TYR A 16 7.826 -26.846 -10.787 1.00 0.00 C ATOM 249 O TYR A 16 7.557 -26.432 -11.897 1.00 0.00 O ATOM 250 CB TYR A 16 8.628 -25.078 -9.217 1.00 0.00 C ATOM 251 CG TYR A 16 8.295 -25.483 -7.801 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.190 -26.303 -7.550 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.095 -25.042 -6.742 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.885 -26.684 -6.237 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.790 -25.419 -5.429 1.00 0.00 C ATOM 256 CZ TYR A 16 7.685 -26.242 -5.177 1.00 0.00 C ATOM 257 OH TYR A 16 7.385 -26.619 -3.884 1.00 0.00 O ATOM 0 H TYR A 16 10.168 -24.974 -11.227 1.00 0.00 H new ATOM 0 HA TYR A 16 9.396 -27.086 -9.330 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.438 -24.348 -9.218 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.767 -24.599 -9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.572 -26.642 -8.368 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.949 -24.410 -6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.033 -27.319 -6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.406 -25.076 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 16 7.827 -27.469 -3.680 1.00 0.00 H new ATOM 267 N LEU A 17 7.094 -27.758 -10.209 1.00 0.00 N ATOM 268 CA LEU A 17 5.903 -28.313 -10.912 1.00 0.00 C ATOM 269 C LEU A 17 4.639 -28.017 -10.101 1.00 0.00 C ATOM 270 O LEU A 17 4.380 -28.634 -9.086 1.00 0.00 O ATOM 271 CB LEU A 17 6.064 -29.826 -11.071 1.00 0.00 C ATOM 272 CG LEU A 17 4.832 -30.399 -11.774 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.889 -30.057 -13.264 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.808 -31.919 -11.600 1.00 0.00 C ATOM 0 H LEU A 17 7.269 -28.143 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 17 5.817 -27.850 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.961 -30.048 -11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.189 -30.294 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 17 3.931 -29.968 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.011 -30.465 -13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.907 -28.974 -13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.790 -30.487 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.931 -32.329 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.709 -32.350 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.767 -32.163 -10.538 1.00 0.00 H new ATOM 286 N CYS A 18 3.843 -27.083 -10.548 1.00 0.00 N ATOM 287 CA CYS A 18 2.590 -26.753 -9.812 1.00 0.00 C ATOM 288 C CYS A 18 1.390 -27.080 -10.702 1.00 0.00 C ATOM 289 O CYS A 18 1.495 -27.114 -11.912 1.00 0.00 O ATOM 290 CB CYS A 18 2.575 -25.262 -9.462 1.00 0.00 C ATOM 291 SG CYS A 18 4.057 -24.855 -8.507 1.00 0.00 S ATOM 0 H CYS A 18 4.007 -26.534 -11.392 1.00 0.00 H new ATOM 0 HA CYS A 18 2.540 -27.337 -8.893 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.540 -24.664 -10.372 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.681 -25.021 -8.887 1.00 0.00 H new ATOM 296 N PRO A 19 0.227 -27.327 -10.086 1.00 0.00 N ATOM 297 CA PRO A 19 -0.999 -27.654 -10.818 1.00 0.00 C ATOM 298 C PRO A 19 -1.567 -26.430 -11.537 1.00 0.00 C ATOM 299 O PRO A 19 -1.183 -25.308 -11.270 1.00 0.00 O ATOM 300 CB PRO A 19 -1.962 -28.109 -9.724 1.00 0.00 C ATOM 301 CG PRO A 19 -1.470 -27.444 -8.481 1.00 0.00 C ATOM 302 CD PRO A 19 0.021 -27.305 -8.629 1.00 0.00 C ATOM 0 HA PRO A 19 -0.828 -28.405 -11.590 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.986 -27.814 -9.951 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.958 -29.194 -9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.939 -26.469 -8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.718 -28.036 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.383 -26.377 -8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.551 -28.121 -8.137 1.00 0.00 H new ATOM 310 N LYS A 20 -2.478 -26.633 -12.446 1.00 0.00 N ATOM 311 CA LYS A 20 -3.065 -25.475 -13.175 1.00 0.00 C ATOM 312 C LYS A 20 -4.200 -24.878 -12.343 1.00 0.00 C ATOM 313 O LYS A 20 -4.448 -23.690 -12.375 1.00 0.00 O ATOM 314 CB LYS A 20 -3.609 -25.939 -14.528 1.00 0.00 C ATOM 315 CG LYS A 20 -2.486 -26.598 -15.332 1.00 0.00 C ATOM 316 CD LYS A 20 -1.367 -25.582 -15.572 1.00 0.00 C ATOM 317 CE LYS A 20 -0.243 -26.242 -16.374 1.00 0.00 C ATOM 318 NZ LYS A 20 -0.694 -26.455 -17.778 1.00 0.00 N ATOM 0 H LYS A 20 -2.841 -27.547 -12.715 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.296 -24.720 -13.339 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.427 -26.644 -14.380 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.015 -25.091 -15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.098 -27.462 -14.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.871 -26.962 -16.284 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.755 -24.718 -16.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.983 -25.216 -14.620 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.647 -25.613 -16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.031 -27.194 -15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.129 -26.661 -18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.357 -27.256 -17.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.169 -25.597 -18.124 1.00 0.00 H new ATOM 332 N ASP A 21 -4.886 -25.695 -11.593 1.00 0.00 N ATOM 333 CA ASP A 21 -5.999 -25.172 -10.755 1.00 0.00 C ATOM 334 C ASP A 21 -5.473 -24.036 -9.880 1.00 0.00 C ATOM 335 O ASP A 21 -4.436 -24.151 -9.257 1.00 0.00 O ATOM 336 CB ASP A 21 -6.538 -26.293 -9.867 1.00 0.00 C ATOM 337 CG ASP A 21 -7.008 -27.457 -10.742 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.132 -27.260 -11.940 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.237 -28.525 -10.199 1.00 0.00 O ATOM 0 H ASP A 21 -4.724 -26.700 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.800 -24.802 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.763 -26.631 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.364 -25.924 -9.259 1.00 0.00 H new ATOM 344 N LEU A 22 -6.173 -22.938 -9.828 1.00 0.00 N ATOM 345 CA LEU A 22 -5.701 -21.799 -8.994 1.00 0.00 C ATOM 346 C LEU A 22 -6.405 -21.830 -7.636 1.00 0.00 C ATOM 347 O LEU A 22 -7.613 -21.738 -7.547 1.00 0.00 O ATOM 348 CB LEU A 22 -6.019 -20.481 -9.702 1.00 0.00 C ATOM 349 CG LEU A 22 -5.586 -19.313 -8.815 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.085 -19.412 -8.537 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.885 -17.993 -9.528 1.00 0.00 C ATOM 0 H LEU A 22 -7.049 -22.780 -10.326 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.624 -21.882 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.502 -20.436 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.087 -20.416 -9.912 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.134 -19.350 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.776 -18.579 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.870 -20.352 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.537 -19.375 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.577 -17.160 -8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.338 -17.956 -10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.954 -17.921 -9.727 1.00 0.00 H new ATOM 363 N LYS A 23 -5.655 -21.953 -6.576 1.00 0.00 N ATOM 364 CA LYS A 23 -6.277 -21.982 -5.222 1.00 0.00 C ATOM 365 C LYS A 23 -5.537 -20.998 -4.316 1.00 0.00 C ATOM 366 O LYS A 23 -4.421 -21.242 -3.902 1.00 0.00 O ATOM 367 CB LYS A 23 -6.181 -23.393 -4.636 1.00 0.00 C ATOM 368 CG LYS A 23 -6.432 -24.425 -5.738 1.00 0.00 C ATOM 369 CD LYS A 23 -5.889 -25.784 -5.295 1.00 0.00 C ATOM 370 CE LYS A 23 -6.864 -26.884 -5.720 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.049 -26.872 -4.815 1.00 0.00 N ATOM 0 H LYS A 23 -4.638 -22.035 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.327 -21.700 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.196 -23.549 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.911 -23.516 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.499 -24.498 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.947 -24.111 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.910 -25.959 -5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.755 -25.799 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.179 -26.727 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.372 -27.856 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.554 -27.778 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.735 -26.734 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.686 -26.096 -5.087 1.00 0.00 H new ATOM 385 N PRO A 24 -6.174 -19.857 -4.013 1.00 0.00 N ATOM 386 CA PRO A 24 -5.582 -18.809 -3.168 1.00 0.00 C ATOM 387 C PRO A 24 -5.346 -19.283 -1.733 1.00 0.00 C ATOM 388 O PRO A 24 -6.253 -19.721 -1.055 1.00 0.00 O ATOM 389 CB PRO A 24 -6.632 -17.697 -3.194 1.00 0.00 C ATOM 390 CG PRO A 24 -7.906 -18.402 -3.508 1.00 0.00 C ATOM 391 CD PRO A 24 -7.530 -19.499 -4.462 1.00 0.00 C ATOM 0 HA PRO A 24 -4.602 -18.499 -3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.689 -17.181 -2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.397 -16.945 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.364 -18.806 -2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.631 -17.723 -3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.215 -20.344 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.538 -19.158 -5.497 1.00 0.00 H new ATOM 399 N VAL A 25 -4.129 -19.197 -1.268 1.00 0.00 N ATOM 400 CA VAL A 25 -3.832 -19.640 0.124 1.00 0.00 C ATOM 401 C VAL A 25 -3.321 -18.455 0.945 1.00 0.00 C ATOM 402 O VAL A 25 -2.775 -17.508 0.414 1.00 0.00 O ATOM 403 CB VAL A 25 -2.749 -20.721 0.101 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.181 -21.869 -0.812 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.444 -20.118 -0.419 1.00 0.00 C ATOM 0 H VAL A 25 -3.329 -18.840 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.744 -20.036 0.570 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.600 -21.104 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.406 -22.635 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.111 -22.299 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.334 -21.492 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.670 -20.885 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.597 -19.734 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.133 -19.304 0.236 1.00 0.00 H new ATOM 415 N CYS A 26 -3.481 -18.509 2.237 1.00 0.00 N ATOM 416 CA CYS A 26 -2.989 -17.397 3.098 1.00 0.00 C ATOM 417 C CYS A 26 -1.609 -17.772 3.645 1.00 0.00 C ATOM 418 O CYS A 26 -1.373 -18.897 4.032 1.00 0.00 O ATOM 419 CB CYS A 26 -3.960 -17.171 4.261 1.00 0.00 C ATOM 420 SG CYS A 26 -3.448 -15.716 5.207 1.00 0.00 S ATOM 0 H CYS A 26 -3.932 -19.276 2.735 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.921 -16.480 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.972 -17.032 3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.980 -18.049 4.907 1.00 0.00 H new ATOM 425 N GLY A 27 -0.694 -16.844 3.668 1.00 0.00 N ATOM 426 CA GLY A 27 0.671 -17.155 4.180 1.00 0.00 C ATOM 427 C GLY A 27 0.742 -16.855 5.678 1.00 0.00 C ATOM 428 O GLY A 27 0.275 -15.833 6.140 1.00 0.00 O ATOM 0 H GLY A 27 -0.832 -15.883 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.908 -18.203 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.414 -16.563 3.645 1.00 0.00 H new ATOM 432 N ASP A 28 1.328 -17.737 6.441 1.00 0.00 N ATOM 433 CA ASP A 28 1.433 -17.501 7.908 1.00 0.00 C ATOM 434 C ASP A 28 2.359 -16.311 8.168 1.00 0.00 C ATOM 435 O ASP A 28 2.443 -15.805 9.270 1.00 0.00 O ATOM 436 CB ASP A 28 2.002 -18.749 8.587 1.00 0.00 C ATOM 437 CG ASP A 28 3.410 -19.026 8.054 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.942 -18.170 7.368 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.931 -20.090 8.342 1.00 0.00 O ATOM 0 H ASP A 28 1.738 -18.611 6.111 1.00 0.00 H new ATOM 0 HA ASP A 28 0.444 -17.287 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.033 -18.606 9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.355 -19.606 8.397 1.00 0.00 H new ATOM 444 N ASP A 29 3.055 -15.859 7.160 1.00 0.00 N ATOM 445 CA ASP A 29 3.975 -14.702 7.349 1.00 0.00 C ATOM 446 C ASP A 29 3.212 -13.400 7.104 1.00 0.00 C ATOM 447 O ASP A 29 3.793 -12.336 7.009 1.00 0.00 O ATOM 448 CB ASP A 29 5.134 -14.807 6.357 1.00 0.00 C ATOM 449 CG ASP A 29 4.590 -14.745 4.929 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.409 -14.478 4.777 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.363 -14.967 4.012 1.00 0.00 O ATOM 0 H ASP A 29 3.026 -16.241 6.215 1.00 0.00 H new ATOM 0 HA ASP A 29 4.365 -14.709 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.843 -13.996 6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.675 -15.740 6.511 1.00 0.00 H new ATOM 456 N GLY A 30 1.913 -13.474 6.998 1.00 0.00 N ATOM 457 CA GLY A 30 1.115 -12.240 6.757 1.00 0.00 C ATOM 458 C GLY A 30 1.045 -11.966 5.254 1.00 0.00 C ATOM 459 O GLY A 30 0.760 -10.865 4.826 1.00 0.00 O ATOM 0 H GLY A 30 1.371 -14.335 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.111 -12.358 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.570 -11.393 7.271 1.00 0.00 H new ATOM 463 N GLN A 31 1.303 -12.960 4.448 1.00 0.00 N ATOM 464 CA GLN A 31 1.251 -12.756 2.972 1.00 0.00 C ATOM 465 C GLN A 31 0.212 -13.699 2.361 1.00 0.00 C ATOM 466 O GLN A 31 -0.408 -14.485 3.046 1.00 0.00 O ATOM 467 CB GLN A 31 2.627 -13.052 2.371 1.00 0.00 C ATOM 468 CG GLN A 31 3.600 -11.934 2.749 1.00 0.00 C ATOM 469 CD GLN A 31 4.997 -12.271 2.223 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.233 -13.367 1.754 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.939 -11.370 2.283 1.00 0.00 N ATOM 0 H GLN A 31 1.547 -13.904 4.748 1.00 0.00 H new ATOM 0 HA GLN A 31 0.973 -11.724 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.997 -14.010 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.552 -13.132 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.261 -10.986 2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.627 -11.812 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.741 -10.450 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.874 -11.586 1.936 1.00 0.00 H new ATOM 480 N THR A 32 0.019 -13.624 1.072 1.00 0.00 N ATOM 481 CA THR A 32 -0.978 -14.513 0.406 1.00 0.00 C ATOM 482 C THR A 32 -0.409 -15.001 -0.926 1.00 0.00 C ATOM 483 O THR A 32 0.174 -14.244 -1.677 1.00 0.00 O ATOM 484 CB THR A 32 -2.266 -13.728 0.146 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.716 -13.141 1.359 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.339 -14.671 -0.399 1.00 0.00 C ATOM 0 H THR A 32 0.510 -12.983 0.449 1.00 0.00 H new ATOM 0 HA THR A 32 -1.193 -15.366 1.049 1.00 0.00 H new ATOM 0 HB THR A 32 -2.072 -12.943 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.767 -13.828 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.256 -14.111 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.992 -15.117 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.535 -15.458 0.329 1.00 0.00 H new ATOM 494 N TYR A 33 -0.574 -16.258 -1.228 1.00 0.00 N ATOM 495 CA TYR A 33 -0.043 -16.788 -2.515 1.00 0.00 C ATOM 496 C TYR A 33 -1.208 -17.296 -3.368 1.00 0.00 C ATOM 497 O TYR A 33 -2.032 -18.063 -2.913 1.00 0.00 O ATOM 498 CB TYR A 33 0.929 -17.933 -2.233 1.00 0.00 C ATOM 499 CG TYR A 33 2.002 -17.453 -1.285 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.710 -17.283 0.075 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.290 -17.176 -1.763 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.704 -16.836 0.955 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.284 -16.730 -0.882 1.00 0.00 C ATOM 504 CZ TYR A 33 3.990 -16.561 0.476 1.00 0.00 C ATOM 505 OH TYR A 33 4.970 -16.121 1.344 1.00 0.00 O ATOM 0 H TYR A 33 -1.053 -16.941 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 33 0.482 -15.997 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.396 -18.779 -1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.378 -18.282 -3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.718 -17.497 0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.516 -17.306 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.478 -16.704 2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.277 -16.517 -1.251 1.00 0.00 H new ATOM 0 HH TYR A 33 4.939 -15.143 1.404 1.00 0.00 H new ATOM 515 N ASN A 34 -1.287 -16.869 -4.597 1.00 0.00 N ATOM 516 CA ASN A 34 -2.407 -17.322 -5.468 1.00 0.00 C ATOM 517 C ASN A 34 -2.481 -18.850 -5.464 1.00 0.00 C ATOM 518 O ASN A 34 -3.305 -19.432 -4.793 1.00 0.00 O ATOM 519 CB ASN A 34 -2.192 -16.810 -6.896 1.00 0.00 C ATOM 520 CG ASN A 34 -1.689 -15.367 -6.847 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.262 -14.533 -6.173 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.635 -15.034 -7.539 1.00 0.00 N ATOM 0 H ASN A 34 -0.626 -16.227 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.345 -16.921 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.471 -17.441 -7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.125 -16.863 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.291 -14.074 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.154 -15.734 -8.104 1.00 0.00 H new ATOM 529 N ASN A 35 -1.638 -19.506 -6.208 1.00 0.00 N ATOM 530 CA ASN A 35 -1.678 -20.996 -6.241 1.00 0.00 C ATOM 531 C ASN A 35 -0.929 -21.560 -5.030 1.00 0.00 C ATOM 532 O ASN A 35 0.035 -20.984 -4.565 1.00 0.00 O ATOM 533 CB ASN A 35 -1.032 -21.481 -7.543 1.00 0.00 C ATOM 534 CG ASN A 35 -0.833 -22.997 -7.508 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.130 -23.511 -6.663 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.430 -23.738 -8.404 1.00 0.00 N ATOM 0 H ASN A 35 -0.923 -19.077 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.711 -21.343 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.661 -21.210 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.072 -20.985 -7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.305 -24.750 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.021 -23.304 -9.113 1.00 0.00 H new ATOM 543 N PRO A 36 -1.382 -22.714 -4.510 1.00 0.00 N ATOM 544 CA PRO A 36 -0.755 -23.365 -3.350 1.00 0.00 C ATOM 545 C PRO A 36 0.680 -23.801 -3.652 1.00 0.00 C ATOM 546 O PRO A 36 1.599 -23.471 -2.931 1.00 0.00 O ATOM 547 CB PRO A 36 -1.647 -24.583 -3.097 1.00 0.00 C ATOM 548 CG PRO A 36 -2.286 -24.843 -4.416 1.00 0.00 C ATOM 549 CD PRO A 36 -2.535 -23.485 -5.005 1.00 0.00 C ATOM 0 HA PRO A 36 -0.681 -22.698 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.065 -25.441 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.391 -24.380 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.637 -25.438 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.216 -25.399 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.568 -23.514 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.482 -23.063 -4.668 1.00 0.00 H new ATOM 557 N CYS A 37 0.889 -24.525 -4.716 1.00 0.00 N ATOM 558 CA CYS A 37 2.275 -24.950 -5.049 1.00 0.00 C ATOM 559 C CYS A 37 3.103 -23.694 -5.320 1.00 0.00 C ATOM 560 O CYS A 37 4.303 -23.672 -5.136 1.00 0.00 O ATOM 561 CB CYS A 37 2.259 -25.845 -6.290 1.00 0.00 C ATOM 562 SG CYS A 37 3.949 -26.068 -6.898 1.00 0.00 S ATOM 0 H CYS A 37 0.166 -24.838 -5.364 1.00 0.00 H new ATOM 0 HA CYS A 37 2.708 -25.515 -4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.818 -26.812 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.638 -25.397 -7.066 1.00 0.00 H new ATOM 567 N MET A 38 2.455 -22.641 -5.742 1.00 0.00 N ATOM 568 CA MET A 38 3.181 -21.371 -6.012 1.00 0.00 C ATOM 569 C MET A 38 3.671 -20.792 -4.684 1.00 0.00 C ATOM 570 O MET A 38 4.516 -19.917 -4.645 1.00 0.00 O ATOM 571 CB MET A 38 2.228 -20.380 -6.688 1.00 0.00 C ATOM 572 CG MET A 38 2.267 -20.584 -8.203 1.00 0.00 C ATOM 573 SD MET A 38 3.943 -20.277 -8.813 1.00 0.00 S ATOM 574 CE MET A 38 3.994 -18.506 -8.451 1.00 0.00 C ATOM 0 H MET A 38 1.450 -22.608 -5.911 1.00 0.00 H new ATOM 0 HA MET A 38 4.032 -21.556 -6.668 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.213 -20.525 -6.317 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.515 -19.358 -6.441 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.959 -21.600 -8.452 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.563 -19.909 -8.689 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.684 -18.014 -9.136 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.998 -18.081 -8.572 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.331 -18.354 -7.426 1.00 0.00 H new ATOM 584 N LEU A 39 3.145 -21.280 -3.592 1.00 0.00 N ATOM 585 CA LEU A 39 3.571 -20.774 -2.256 1.00 0.00 C ATOM 586 C LEU A 39 4.979 -21.278 -1.950 1.00 0.00 C ATOM 587 O LEU A 39 5.859 -20.514 -1.608 1.00 0.00 O ATOM 588 CB LEU A 39 2.590 -21.282 -1.194 1.00 0.00 C ATOM 589 CG LEU A 39 3.196 -21.113 0.198 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.350 -19.624 0.508 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.279 -21.758 1.239 1.00 0.00 C ATOM 0 H LEU A 39 2.435 -22.012 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 39 3.575 -19.684 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.651 -20.732 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.357 -22.332 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 39 4.173 -21.595 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.782 -19.502 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.005 -19.164 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.373 -19.143 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.713 -21.636 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.301 -21.278 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.169 -22.820 1.019 1.00 0.00 H new ATOM 603 N CYS A 40 5.211 -22.554 -2.082 1.00 0.00 N ATOM 604 CA CYS A 40 6.575 -23.075 -1.808 1.00 0.00 C ATOM 605 C CYS A 40 7.524 -22.508 -2.863 1.00 0.00 C ATOM 606 O CYS A 40 8.718 -22.415 -2.657 1.00 0.00 O ATOM 607 CB CYS A 40 6.580 -24.603 -1.864 1.00 0.00 C ATOM 608 SG CYS A 40 5.050 -25.248 -1.143 1.00 0.00 S ATOM 0 H CYS A 40 4.522 -23.251 -2.365 1.00 0.00 H new ATOM 0 HA CYS A 40 6.896 -22.772 -0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.675 -24.938 -2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.441 -24.993 -1.322 1.00 0.00 H new ATOM 613 N HIS A 41 6.990 -22.109 -3.985 1.00 0.00 N ATOM 614 CA HIS A 41 7.843 -21.522 -5.052 1.00 0.00 C ATOM 615 C HIS A 41 8.398 -20.191 -4.557 1.00 0.00 C ATOM 616 O HIS A 41 9.593 -19.978 -4.516 1.00 0.00 O ATOM 617 CB HIS A 41 6.997 -21.281 -6.300 1.00 0.00 C ATOM 618 CG HIS A 41 7.896 -21.028 -7.478 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.682 -22.022 -8.040 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.147 -19.893 -8.211 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.361 -21.472 -9.064 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.072 -20.176 -9.211 1.00 0.00 N ATOM 0 H HIS A 41 5.996 -22.165 -4.207 1.00 0.00 H new ATOM 0 HA HIS A 41 8.660 -22.202 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.362 -22.145 -6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.336 -20.428 -6.144 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.736 -22.993 -7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.695 -18.928 -8.037 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.055 -22.013 -9.690 1.00 0.00 H new ATOM 630 N GLU A 42 7.533 -19.293 -4.166 1.00 0.00 N ATOM 631 CA GLU A 42 8.013 -17.981 -3.658 1.00 0.00 C ATOM 632 C GLU A 42 8.826 -18.222 -2.387 1.00 0.00 C ATOM 633 O GLU A 42 9.582 -17.376 -1.946 1.00 0.00 O ATOM 634 CB GLU A 42 6.813 -17.086 -3.344 1.00 0.00 C ATOM 635 CG GLU A 42 6.134 -16.670 -4.650 1.00 0.00 C ATOM 636 CD GLU A 42 4.963 -15.734 -4.345 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.741 -15.455 -3.179 1.00 0.00 O ATOM 638 OE2 GLU A 42 4.307 -15.312 -5.283 1.00 0.00 O ATOM 0 H GLU A 42 6.520 -19.413 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 42 8.633 -17.490 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.106 -17.617 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.138 -16.203 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.851 -16.171 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.778 -17.552 -5.184 1.00 0.00 H new ATOM 645 N ASN A 43 8.676 -19.378 -1.800 1.00 0.00 N ATOM 646 CA ASN A 43 9.437 -19.688 -0.558 1.00 0.00 C ATOM 647 C ASN A 43 10.861 -20.100 -0.931 1.00 0.00 C ATOM 648 O ASN A 43 11.786 -19.938 -0.161 1.00 0.00 O ATOM 649 CB ASN A 43 8.748 -20.828 0.193 1.00 0.00 C ATOM 650 CG ASN A 43 7.361 -20.366 0.646 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.099 -19.183 0.726 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.456 -21.255 0.950 1.00 0.00 N ATOM 0 H ASN A 43 8.059 -20.121 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 43 9.470 -18.807 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.661 -21.703 -0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.345 -21.125 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.530 -20.956 1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.675 -22.249 0.883 1.00 0.00 H new ATOM 659 N LEU A 44 11.049 -20.622 -2.112 1.00 0.00 N ATOM 660 CA LEU A 44 12.418 -21.028 -2.532 1.00 0.00 C ATOM 661 C LEU A 44 13.263 -19.770 -2.725 1.00 0.00 C ATOM 662 O LEU A 44 14.451 -19.759 -2.472 1.00 0.00 O ATOM 663 CB LEU A 44 12.348 -21.802 -3.849 1.00 0.00 C ATOM 664 CG LEU A 44 11.640 -23.141 -3.622 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.856 -24.041 -4.838 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.212 -23.820 -2.376 1.00 0.00 C ATOM 0 H LEU A 44 10.315 -20.784 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 44 12.864 -21.666 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.812 -21.218 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.353 -21.972 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 44 10.573 -22.968 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.353 -24.995 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.446 -23.558 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.923 -24.213 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.707 -24.773 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.279 -23.994 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.058 -23.178 -1.509 1.00 0.00 H new ATOM 678 N ILE A 45 12.650 -18.703 -3.164 1.00 0.00 N ATOM 679 CA ILE A 45 13.405 -17.435 -3.367 1.00 0.00 C ATOM 680 C ILE A 45 13.607 -16.755 -2.014 1.00 0.00 C ATOM 681 O ILE A 45 14.704 -16.378 -1.654 1.00 0.00 O ATOM 682 CB ILE A 45 12.613 -16.503 -4.287 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.975 -17.314 -5.418 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.556 -15.454 -4.881 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.280 -16.365 -6.396 1.00 0.00 C ATOM 0 H ILE A 45 11.657 -18.656 -3.391 1.00 0.00 H new ATOM 0 HA ILE A 45 14.371 -17.655 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 45 11.830 -16.008 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.737 -17.895 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.256 -18.024 -5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.994 -14.789 -5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.008 -14.874 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.339 -15.951 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.825 -16.942 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.507 -15.803 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.011 -15.673 -6.813 1.00 0.00 H new ATOM 697 N ARG A 46 12.554 -16.599 -1.256 1.00 0.00 N ATOM 698 CA ARG A 46 12.689 -15.948 0.077 1.00 0.00 C ATOM 699 C ARG A 46 13.352 -16.923 1.051 1.00 0.00 C ATOM 700 O ARG A 46 14.106 -16.533 1.921 1.00 0.00 O ATOM 701 CB ARG A 46 11.302 -15.562 0.597 1.00 0.00 C ATOM 702 CG ARG A 46 10.757 -14.398 -0.233 1.00 0.00 C ATOM 703 CD ARG A 46 9.433 -13.918 0.365 1.00 0.00 C ATOM 704 NE ARG A 46 8.460 -15.046 0.392 1.00 0.00 N ATOM 705 CZ ARG A 46 7.869 -15.370 1.510 1.00 0.00 C ATOM 706 NH1 ARG A 46 7.614 -14.453 2.402 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.531 -16.611 1.733 1.00 0.00 N ATOM 0 H ARG A 46 11.609 -16.894 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 46 13.303 -15.052 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.627 -16.416 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.361 -15.278 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.478 -13.581 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.608 -14.713 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.594 -13.539 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.033 -13.093 -0.225 1.00 0.00 H new ATOM 0 HE ARG A 46 8.256 -15.565 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.876 -13.483 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.152 -14.706 3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.729 -17.327 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.069 -16.865 2.606 1.00 0.00 H new ATOM 721 N GLN A 47 13.078 -18.190 0.908 1.00 0.00 N ATOM 722 CA GLN A 47 13.692 -19.196 1.819 1.00 0.00 C ATOM 723 C GLN A 47 13.294 -18.889 3.263 1.00 0.00 C ATOM 724 O GLN A 47 14.084 -19.016 4.177 1.00 0.00 O ATOM 725 CB GLN A 47 15.216 -19.141 1.686 1.00 0.00 C ATOM 726 CG GLN A 47 15.615 -19.494 0.251 1.00 0.00 C ATOM 727 CD GLN A 47 17.138 -19.441 0.118 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.815 -18.898 0.969 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.711 -19.983 -0.922 1.00 0.00 N ATOM 0 H GLN A 47 12.454 -18.573 0.198 1.00 0.00 H new ATOM 0 HA GLN A 47 13.339 -20.192 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.578 -18.145 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.678 -19.838 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.251 -20.489 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.154 -18.797 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.144 -20.439 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.726 -19.951 -1.020 1.00 0.00 H new ATOM 738 N THR A 48 12.071 -18.488 3.476 1.00 0.00 N ATOM 739 CA THR A 48 11.623 -18.175 4.862 1.00 0.00 C ATOM 740 C THR A 48 10.746 -19.316 5.386 1.00 0.00 C ATOM 741 O THR A 48 10.031 -19.165 6.357 1.00 0.00 O ATOM 742 CB THR A 48 10.817 -16.874 4.858 1.00 0.00 C ATOM 743 OG1 THR A 48 9.590 -17.080 4.172 1.00 0.00 O ATOM 744 CG2 THR A 48 11.617 -15.775 4.159 1.00 0.00 C ATOM 0 H THR A 48 11.364 -18.364 2.752 1.00 0.00 H new ATOM 0 HA THR A 48 12.494 -18.060 5.507 1.00 0.00 H new ATOM 0 HB THR A 48 10.613 -16.572 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.072 -16.248 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.040 -14.850 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.557 -15.616 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.825 -16.074 3.132 1.00 0.00 H new ATOM 752 N ASN A 49 10.799 -20.456 4.754 1.00 0.00 N ATOM 753 CA ASN A 49 9.970 -21.603 5.218 1.00 0.00 C ATOM 754 C ASN A 49 8.557 -21.112 5.539 1.00 0.00 C ATOM 755 O ASN A 49 8.033 -21.352 6.609 1.00 0.00 O ATOM 756 CB ASN A 49 10.598 -22.212 6.474 1.00 0.00 C ATOM 757 CG ASN A 49 12.020 -22.677 6.157 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.410 -22.739 5.008 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.819 -23.010 7.135 1.00 0.00 N ATOM 0 H ASN A 49 11.380 -20.642 3.937 1.00 0.00 H new ATOM 0 HA ASN A 49 9.923 -22.359 4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.615 -21.477 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.998 -23.053 6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.769 -23.322 6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.493 -22.958 8.100 1.00 0.00 H new ATOM 766 N THR A 50 7.935 -20.423 4.620 1.00 0.00 N ATOM 767 CA THR A 50 6.558 -19.914 4.869 1.00 0.00 C ATOM 768 C THR A 50 5.560 -21.067 4.774 1.00 0.00 C ATOM 769 O THR A 50 5.728 -21.984 3.996 1.00 0.00 O ATOM 770 CB THR A 50 6.205 -18.856 3.822 1.00 0.00 C ATOM 771 OG1 THR A 50 7.171 -17.815 3.861 1.00 0.00 O ATOM 772 CG2 THR A 50 4.818 -18.280 4.119 1.00 0.00 C ATOM 0 H THR A 50 8.323 -20.191 3.706 1.00 0.00 H new ATOM 0 HA THR A 50 6.514 -19.473 5.865 1.00 0.00 H new ATOM 0 HB THR A 50 6.200 -19.312 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.071 -18.202 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.569 -17.527 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.078 -19.080 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.818 -17.823 5.109 1.00 0.00 H new ATOM 780 N HIS A 51 4.519 -21.026 5.557 1.00 0.00 N ATOM 781 CA HIS A 51 3.507 -22.116 5.507 1.00 0.00 C ATOM 782 C HIS A 51 2.132 -21.515 5.221 1.00 0.00 C ATOM 783 O HIS A 51 1.946 -20.315 5.273 1.00 0.00 O ATOM 784 CB HIS A 51 3.475 -22.846 6.851 1.00 0.00 C ATOM 785 CG HIS A 51 4.882 -23.065 7.336 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.785 -23.863 6.652 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.557 -22.596 8.437 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.941 -23.850 7.339 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.857 -23.092 8.436 1.00 0.00 N ATOM 0 H HIS A 51 4.325 -20.284 6.230 1.00 0.00 H new ATOM 0 HA HIS A 51 3.769 -22.822 4.719 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.914 -22.262 7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.962 -23.802 6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.142 -21.942 9.189 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.829 -24.387 7.040 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.588 -22.915 9.125 1.00 0.00 H new ATOM 797 N ILE A 52 1.166 -22.336 4.921 1.00 0.00 N ATOM 798 CA ILE A 52 -0.194 -21.805 4.632 1.00 0.00 C ATOM 799 C ILE A 52 -0.908 -21.493 5.946 1.00 0.00 C ATOM 800 O ILE A 52 -1.049 -22.339 6.807 1.00 0.00 O ATOM 801 CB ILE A 52 -1.001 -22.846 3.857 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.279 -23.185 2.550 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.387 -22.278 3.548 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.199 -24.023 1.660 1.00 0.00 C ATOM 0 H ILE A 52 1.259 -23.350 4.863 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.105 -20.897 4.036 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.103 -23.752 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.009 -22.269 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.639 -23.734 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.968 -23.016 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.898 -22.039 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.284 -21.374 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.685 -24.264 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.465 -24.945 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.104 -23.458 1.438 1.00 0.00 H new ATOM 816 N ARG A 53 -1.360 -20.283 6.105 1.00 0.00 N ATOM 817 CA ARG A 53 -2.068 -19.905 7.359 1.00 0.00 C ATOM 818 C ARG A 53 -3.510 -20.400 7.291 1.00 0.00 C ATOM 819 O ARG A 53 -4.044 -20.941 8.239 1.00 0.00 O ATOM 820 CB ARG A 53 -2.074 -18.383 7.494 1.00 0.00 C ATOM 821 CG ARG A 53 -2.761 -17.992 8.800 1.00 0.00 C ATOM 822 CD ARG A 53 -2.730 -16.471 8.957 1.00 0.00 C ATOM 823 NE ARG A 53 -3.268 -16.101 10.295 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.414 -14.844 10.615 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.870 -13.915 9.877 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.105 -14.516 11.671 1.00 0.00 N ATOM 0 H ARG A 53 -1.270 -19.535 5.417 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.561 -20.352 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.053 -18.002 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.594 -17.934 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.791 -18.348 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.259 -18.466 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.709 -16.104 8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.322 -16.001 8.172 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.523 -16.830 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.331 -14.171 9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.984 -12.933 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.531 -15.242 12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.219 -13.534 11.921 1.00 0.00 H new ATOM 840 N SER A 54 -4.140 -20.208 6.172 1.00 0.00 N ATOM 841 CA SER A 54 -5.550 -20.649 6.016 1.00 0.00 C ATOM 842 C SER A 54 -5.875 -20.762 4.526 1.00 0.00 C ATOM 843 O SER A 54 -5.339 -20.039 3.710 1.00 0.00 O ATOM 844 CB SER A 54 -6.475 -19.620 6.666 1.00 0.00 C ATOM 845 OG SER A 54 -6.853 -18.646 5.706 1.00 0.00 O ATOM 0 H SER A 54 -3.735 -19.760 5.350 1.00 0.00 H new ATOM 0 HA SER A 54 -5.692 -21.617 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.361 -20.114 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.970 -19.141 7.505 1.00 0.00 H new ATOM 0 HG SER A 54 -7.447 -17.988 6.124 1.00 0.00 H new ATOM 851 N THR A 55 -6.744 -21.661 4.162 1.00 0.00 N ATOM 852 CA THR A 55 -7.090 -21.811 2.722 1.00 0.00 C ATOM 853 C THR A 55 -7.780 -20.540 2.227 1.00 0.00 C ATOM 854 O THR A 55 -8.516 -19.897 2.949 1.00 0.00 O ATOM 855 CB THR A 55 -8.028 -23.008 2.540 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.332 -22.656 2.981 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.513 -24.196 3.356 1.00 0.00 C ATOM 0 H THR A 55 -7.228 -22.296 4.796 1.00 0.00 H new ATOM 0 HA THR A 55 -6.179 -21.976 2.147 1.00 0.00 H new ATOM 0 HB THR A 55 -8.062 -23.285 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.934 -23.420 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.183 -25.046 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.513 -24.466 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.475 -23.924 4.411 1.00 0.00 H new ATOM 865 N GLY A 56 -7.543 -20.171 0.998 1.00 0.00 N ATOM 866 CA GLY A 56 -8.177 -18.940 0.450 1.00 0.00 C ATOM 867 C GLY A 56 -7.272 -17.740 0.714 1.00 0.00 C ATOM 868 O GLY A 56 -6.366 -17.796 1.521 1.00 0.00 O ATOM 0 H GLY A 56 -6.936 -20.671 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.347 -19.052 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.151 -18.783 0.913 1.00 0.00 H new ATOM 872 N LYS A 57 -7.513 -16.655 0.038 1.00 0.00 N ATOM 873 CA LYS A 57 -6.672 -15.443 0.244 1.00 0.00 C ATOM 874 C LYS A 57 -6.781 -14.992 1.701 1.00 0.00 C ATOM 875 O LYS A 57 -7.780 -15.212 2.355 1.00 0.00 O ATOM 876 CB LYS A 57 -7.158 -14.321 -0.675 1.00 0.00 C ATOM 877 CG LYS A 57 -6.493 -13.003 -0.268 1.00 0.00 C ATOM 878 CD LYS A 57 -6.876 -11.908 -1.266 1.00 0.00 C ATOM 879 CE LYS A 57 -5.840 -10.784 -1.210 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.544 -10.313 -2.594 1.00 0.00 N ATOM 0 H LYS A 57 -8.258 -16.553 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.633 -15.677 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.918 -14.556 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.242 -14.228 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.807 -12.720 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.410 -13.123 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.927 -12.321 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.866 -11.517 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.216 -9.958 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.927 -11.139 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.840 -9.549 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.169 -11.103 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.417 -9.958 -3.034 1.00 0.00 H new ATOM 894 N CYS A 58 -5.759 -14.364 2.215 1.00 0.00 N ATOM 895 CA CYS A 58 -5.804 -13.900 3.630 1.00 0.00 C ATOM 896 C CYS A 58 -6.990 -12.951 3.819 1.00 0.00 C ATOM 897 O CYS A 58 -7.419 -12.288 2.896 1.00 0.00 O ATOM 898 CB CYS A 58 -4.505 -13.166 3.968 1.00 0.00 C ATOM 899 SG CYS A 58 -3.107 -14.304 3.805 1.00 0.00 S ATOM 0 H CYS A 58 -4.895 -14.152 1.716 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.918 -14.760 4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.373 -12.313 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.551 -12.773 4.984 1.00 0.00 H new ATOM 904 N GLU A 59 -7.522 -12.880 5.009 1.00 0.00 N ATOM 905 CA GLU A 59 -8.677 -11.972 5.254 1.00 0.00 C ATOM 906 C GLU A 59 -8.235 -10.816 6.153 1.00 0.00 C ATOM 907 O GLU A 59 -7.506 -9.963 5.673 1.00 0.00 O ATOM 908 CB GLU A 59 -9.801 -12.750 5.941 1.00 0.00 C ATOM 909 CG GLU A 59 -10.331 -13.826 4.991 1.00 0.00 C ATOM 910 CD GLU A 59 -11.542 -14.513 5.625 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.812 -14.243 6.784 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.178 -15.299 4.942 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.631 -10.804 7.307 1.00 0.00 O ATOM 0 H GLU A 59 -7.207 -13.411 5.821 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.036 -11.577 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.432 -13.209 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.606 -12.072 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.611 -13.379 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.551 -14.559 4.783 1.00 0.00 H new TER 920 GLU A 59