USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 112:sc= -0.905 USER MOD Set 1.2: A 50 THR OG1 : rot -96:sc= 0.506! USER MOD Set 2.1: A 31 GLN : amide:sc= 0.983 K(o=-0.11,f=-4!) USER MOD Set 2.2: A 33 TYR OH : rot -78:sc= -1.09! USER MOD Set 3.1: A 6 LYS NZ :NH3+ 168:sc= -2.51 (180deg=-1.14) USER MOD Set 3.2: A 49 ASN : amide:sc= -1.17 K(o=-3.7,f=-4.6) USER MOD Set 4.1: A 1 ASP N :NH3+ -109:sc= -0.65 (180deg=-0.0186) USER MOD Set 4.2: A 4 MET CE :methyl -131:sc= -2 (180deg=-1.55!) USER MOD Single : A 2 SER OG : rot -30:sc= -5.82! USER MOD Single : A 8 TYR OH : rot -147:sc= 0.354 USER MOD Single : A 16 TYR OH : rot -83:sc= -0.786! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -39:sc= -0.951! USER MOD Single : A 34 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.49) USER MOD Single : A 35 ASN : amide:sc= -7.01! C(o=-7!,f=-20!) USER MOD Single : A 38 MET CE :methyl -143:sc= -0.166 (180deg=-0.999) USER MOD Single : A 41 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-4.6!) USER MOD Single : A 43 ASN : amide:sc= -6.04! C(o=-6!,f=-8.8!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 HIS : no HE2:sc= -3.51! C(o=-3.5!,f=-5.8!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00294 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 0.445 -29.868 3.192 1.00 0.00 N ATOM 2 CA ASP A 1 0.782 -28.455 3.524 1.00 0.00 C ATOM 3 C ASP A 1 2.172 -28.120 2.979 1.00 0.00 C ATOM 4 O ASP A 1 2.837 -28.952 2.396 1.00 0.00 O ATOM 5 CB ASP A 1 0.776 -28.270 5.044 1.00 0.00 C ATOM 6 CG ASP A 1 -0.647 -28.454 5.574 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.564 -28.448 4.770 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.795 -28.598 6.777 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.296 -29.886 2.462 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.294 -30.353 2.836 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.101 -30.353 4.046 1.00 0.00 H new ATOM 0 HA ASP A 1 0.043 -27.792 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.446 -28.992 5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.146 -27.278 5.302 1.00 0.00 H new ATOM 15 N SER A 2 2.616 -26.908 3.168 1.00 0.00 N ATOM 16 CA SER A 2 3.962 -26.520 2.664 1.00 0.00 C ATOM 17 C SER A 2 4.999 -27.527 3.162 1.00 0.00 C ATOM 18 O SER A 2 6.026 -27.734 2.545 1.00 0.00 O ATOM 19 CB SER A 2 4.318 -25.127 3.185 1.00 0.00 C ATOM 20 OG SER A 2 3.623 -24.148 2.426 1.00 0.00 O ATOM 0 H SER A 2 2.104 -26.169 3.650 1.00 0.00 H new ATOM 0 HA SER A 2 3.954 -26.511 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.053 -25.042 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.393 -24.963 3.113 1.00 0.00 H new ATOM 0 HG SER A 2 3.482 -24.480 1.515 1.00 0.00 H new ATOM 26 N GLU A 3 4.736 -28.157 4.273 1.00 0.00 N ATOM 27 CA GLU A 3 5.700 -29.154 4.813 1.00 0.00 C ATOM 28 C GLU A 3 6.052 -30.152 3.713 1.00 0.00 C ATOM 29 O GLU A 3 7.112 -30.744 3.709 1.00 0.00 O ATOM 30 CB GLU A 3 5.060 -29.894 5.988 1.00 0.00 C ATOM 31 CG GLU A 3 5.495 -29.239 7.300 1.00 0.00 C ATOM 32 CD GLU A 3 4.812 -29.946 8.472 1.00 0.00 C ATOM 33 OE1 GLU A 3 4.416 -31.087 8.301 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.697 -29.333 9.521 1.00 0.00 O ATOM 0 H GLU A 3 3.893 -28.024 4.831 1.00 0.00 H new ATOM 0 HA GLU A 3 6.603 -28.648 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.974 -29.869 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.357 -30.943 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.578 -29.298 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.232 -28.181 7.296 1.00 0.00 H new ATOM 41 N MET A 4 5.166 -30.337 2.776 1.00 0.00 N ATOM 42 CA MET A 4 5.440 -31.293 1.667 1.00 0.00 C ATOM 43 C MET A 4 6.563 -30.741 0.790 1.00 0.00 C ATOM 44 O MET A 4 7.310 -31.479 0.180 1.00 0.00 O ATOM 45 CB MET A 4 4.177 -31.475 0.824 1.00 0.00 C ATOM 46 CG MET A 4 3.073 -32.087 1.688 1.00 0.00 C ATOM 47 SD MET A 4 1.622 -32.426 0.661 1.00 0.00 S ATOM 48 CE MET A 4 1.280 -30.716 0.179 1.00 0.00 C ATOM 0 H MET A 4 4.262 -29.867 2.730 1.00 0.00 H new ATOM 0 HA MET A 4 5.739 -32.256 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.851 -30.514 0.425 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.386 -32.120 -0.029 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.427 -33.008 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.809 -31.405 2.496 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.224 -30.497 0.339 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.886 -30.040 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.523 -30.579 -0.875 1.00 0.00 H new ATOM 58 N CYS A 5 6.691 -29.444 0.724 1.00 0.00 N ATOM 59 CA CYS A 5 7.768 -28.846 -0.112 1.00 0.00 C ATOM 60 C CYS A 5 9.092 -28.908 0.652 1.00 0.00 C ATOM 61 O CYS A 5 10.156 -28.796 0.077 1.00 0.00 O ATOM 62 CB CYS A 5 7.423 -27.389 -0.433 1.00 0.00 C ATOM 63 SG CYS A 5 5.683 -27.277 -0.921 1.00 0.00 S ATOM 0 H CYS A 5 6.097 -28.774 1.212 1.00 0.00 H new ATOM 0 HA CYS A 5 7.859 -29.404 -1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.609 -26.759 0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.062 -27.021 -1.236 1.00 0.00 H new ATOM 68 N LYS A 6 9.037 -29.097 1.945 1.00 0.00 N ATOM 69 CA LYS A 6 10.297 -29.177 2.736 1.00 0.00 C ATOM 70 C LYS A 6 11.232 -30.194 2.081 1.00 0.00 C ATOM 71 O LYS A 6 12.434 -30.149 2.244 1.00 0.00 O ATOM 72 CB LYS A 6 9.977 -29.619 4.164 1.00 0.00 C ATOM 73 CG LYS A 6 9.328 -28.459 4.917 1.00 0.00 C ATOM 74 CD LYS A 6 9.285 -28.777 6.412 1.00 0.00 C ATOM 75 CE LYS A 6 8.491 -27.692 7.141 1.00 0.00 C ATOM 76 NZ LYS A 6 9.390 -26.548 7.460 1.00 0.00 N ATOM 0 H LYS A 6 8.177 -29.199 2.484 1.00 0.00 H new ATOM 0 HA LYS A 6 10.778 -28.199 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.307 -30.479 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.888 -29.934 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.891 -27.541 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.319 -28.288 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.824 -29.751 6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.297 -28.833 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.661 -27.354 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.060 -28.096 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.820 -25.734 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.043 -26.822 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.935 -26.288 6.613 1.00 0.00 H new ATOM 90 N ASP A 7 10.681 -31.100 1.323 1.00 0.00 N ATOM 91 CA ASP A 7 11.523 -32.116 0.631 1.00 0.00 C ATOM 92 C ASP A 7 11.334 -31.933 -0.870 1.00 0.00 C ATOM 93 O ASP A 7 11.282 -32.880 -1.629 1.00 0.00 O ATOM 94 CB ASP A 7 11.080 -33.523 1.041 1.00 0.00 C ATOM 95 CG ASP A 7 11.336 -33.726 2.536 1.00 0.00 C ATOM 96 OD1 ASP A 7 12.094 -32.951 3.097 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.772 -34.652 3.092 1.00 0.00 O ATOM 0 H ASP A 7 9.679 -31.181 1.152 1.00 0.00 H new ATOM 0 HA ASP A 7 12.571 -31.991 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.021 -33.661 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.625 -34.270 0.464 1.00 0.00 H new ATOM 102 N TYR A 8 11.206 -30.708 -1.292 1.00 0.00 N ATOM 103 CA TYR A 8 10.991 -30.420 -2.734 1.00 0.00 C ATOM 104 C TYR A 8 12.326 -30.355 -3.476 1.00 0.00 C ATOM 105 O TYR A 8 13.369 -30.138 -2.891 1.00 0.00 O ATOM 106 CB TYR A 8 10.284 -29.074 -2.863 1.00 0.00 C ATOM 107 CG TYR A 8 9.486 -29.048 -4.138 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.118 -28.760 -5.352 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.115 -29.313 -4.104 1.00 0.00 C ATOM 110 CE1 TYR A 8 9.376 -28.736 -6.537 1.00 0.00 C ATOM 111 CE2 TYR A 8 7.370 -29.288 -5.289 1.00 0.00 C ATOM 112 CZ TYR A 8 8.001 -29.001 -6.506 1.00 0.00 C ATOM 113 OH TYR A 8 7.265 -28.976 -7.674 1.00 0.00 O ATOM 0 H TYR A 8 11.242 -29.885 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 8 10.387 -31.216 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.628 -28.912 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.015 -28.265 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.178 -28.556 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.630 -29.537 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.863 -28.513 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.309 -29.490 -5.265 1.00 0.00 H new ATOM 0 HH TYR A 8 6.359 -28.656 -7.483 1.00 0.00 H new ATOM 123 N ARG A 9 12.289 -30.522 -4.770 1.00 0.00 N ATOM 124 CA ARG A 9 13.537 -30.452 -5.576 1.00 0.00 C ATOM 125 C ARG A 9 13.235 -29.725 -6.886 1.00 0.00 C ATOM 126 O ARG A 9 12.225 -29.958 -7.519 1.00 0.00 O ATOM 127 CB ARG A 9 14.041 -31.860 -5.883 1.00 0.00 C ATOM 128 CG ARG A 9 15.558 -31.824 -6.077 1.00 0.00 C ATOM 129 CD ARG A 9 16.044 -33.197 -6.547 1.00 0.00 C ATOM 130 NE ARG A 9 16.210 -34.093 -5.369 1.00 0.00 N ATOM 131 CZ ARG A 9 17.121 -35.027 -5.383 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.394 -35.656 -6.494 1.00 0.00 N ATOM 133 NH2 ARG A 9 17.760 -35.332 -4.287 1.00 0.00 N ATOM 0 H ARG A 9 11.440 -30.705 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 9 14.304 -29.916 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.783 -32.536 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.557 -32.244 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.824 -31.062 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.049 -31.553 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.329 -33.628 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.990 -33.098 -7.078 1.00 0.00 H new ATOM 0 HE ARG A 9 15.612 -33.977 -4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.895 -35.417 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.106 -36.386 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.547 -34.840 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.472 -36.062 -4.298 1.00 0.00 H new ATOM 147 N VAL A 10 14.099 -28.842 -7.292 1.00 0.00 N ATOM 148 CA VAL A 10 13.860 -28.093 -8.556 1.00 0.00 C ATOM 149 C VAL A 10 15.144 -28.056 -9.386 1.00 0.00 C ATOM 150 O VAL A 10 16.195 -27.677 -8.906 1.00 0.00 O ATOM 151 CB VAL A 10 13.427 -26.664 -8.223 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.125 -25.905 -9.515 1.00 0.00 C ATOM 153 CG2 VAL A 10 12.173 -26.706 -7.348 1.00 0.00 C ATOM 0 H VAL A 10 14.962 -28.605 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 10 13.077 -28.590 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 10 14.229 -26.156 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.817 -24.887 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.019 -25.876 -10.138 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.323 -26.409 -10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.862 -25.689 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.372 -27.214 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.391 -27.245 -6.426 1.00 0.00 H new ATOM 163 N LEU A 11 15.064 -28.442 -10.629 1.00 0.00 N ATOM 164 CA LEU A 11 16.274 -28.426 -11.495 1.00 0.00 C ATOM 165 C LEU A 11 16.168 -27.260 -12.480 1.00 0.00 C ATOM 166 O LEU A 11 15.166 -26.572 -12.530 1.00 0.00 O ATOM 167 CB LEU A 11 16.363 -29.743 -12.268 1.00 0.00 C ATOM 168 CG LEU A 11 17.543 -30.565 -11.743 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.098 -31.376 -10.525 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.029 -31.516 -12.838 1.00 0.00 C ATOM 0 H LEU A 11 14.211 -28.768 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 11 17.167 -28.307 -10.881 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.436 -30.306 -12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.489 -29.544 -13.332 1.00 0.00 H new ATOM 0 HG LEU A 11 18.354 -29.895 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.938 -31.961 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.751 -30.699 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.287 -32.046 -10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.869 -32.102 -12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.218 -32.186 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.346 -30.939 -13.707 1.00 0.00 H new ATOM 182 N PRO A 12 17.219 -27.036 -13.281 1.00 0.00 N ATOM 183 CA PRO A 12 17.240 -25.953 -14.272 1.00 0.00 C ATOM 184 C PRO A 12 16.230 -26.197 -15.396 1.00 0.00 C ATOM 185 O PRO A 12 15.789 -25.278 -16.058 1.00 0.00 O ATOM 186 CB PRO A 12 18.666 -26.001 -14.823 1.00 0.00 C ATOM 187 CG PRO A 12 19.107 -27.405 -14.584 1.00 0.00 C ATOM 188 CD PRO A 12 18.466 -27.819 -13.291 1.00 0.00 C ATOM 0 HA PRO A 12 16.972 -24.990 -13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.691 -25.751 -15.884 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.314 -25.288 -14.313 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.797 -28.057 -15.401 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.193 -27.468 -14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.271 -28.891 -13.261 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.097 -27.586 -12.434 1.00 0.00 H new ATOM 196 N ARG A 13 15.857 -27.428 -15.611 1.00 0.00 N ATOM 197 CA ARG A 13 14.874 -27.733 -16.688 1.00 0.00 C ATOM 198 C ARG A 13 13.555 -28.183 -16.057 1.00 0.00 C ATOM 199 O ARG A 13 12.501 -28.072 -16.652 1.00 0.00 O ATOM 200 CB ARG A 13 15.420 -28.853 -17.576 1.00 0.00 C ATOM 201 CG ARG A 13 16.720 -28.394 -18.237 1.00 0.00 C ATOM 202 CD ARG A 13 17.242 -29.501 -19.156 1.00 0.00 C ATOM 203 NE ARG A 13 18.563 -29.101 -19.715 1.00 0.00 N ATOM 204 CZ ARG A 13 18.648 -28.666 -20.943 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.218 -29.402 -21.858 1.00 0.00 N ATOM 206 NH2 ARG A 13 18.164 -27.495 -21.256 1.00 0.00 N ATOM 0 H ARG A 13 16.191 -28.237 -15.087 1.00 0.00 H new ATOM 0 HA ARG A 13 14.706 -26.841 -17.291 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.599 -29.748 -16.981 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.686 -29.118 -18.338 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.548 -27.482 -18.809 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.464 -28.157 -17.476 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.338 -30.434 -18.601 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.533 -29.682 -19.964 1.00 0.00 H new ATOM 0 HE ARG A 13 19.402 -29.167 -19.138 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.597 -30.317 -21.614 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.284 -29.062 -22.817 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.719 -26.919 -20.541 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.231 -27.156 -22.216 1.00 0.00 H new ATOM 220 N ILE A 14 13.602 -28.693 -14.857 1.00 0.00 N ATOM 221 CA ILE A 14 12.351 -29.152 -14.190 1.00 0.00 C ATOM 222 C ILE A 14 11.651 -27.960 -13.535 1.00 0.00 C ATOM 223 O ILE A 14 10.439 -27.858 -13.544 1.00 0.00 O ATOM 224 CB ILE A 14 12.693 -30.191 -13.120 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.342 -31.410 -13.778 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.413 -30.621 -12.400 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.763 -32.409 -12.699 1.00 0.00 C ATOM 0 H ILE A 14 14.454 -28.812 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 14 11.690 -29.598 -14.933 1.00 0.00 H new ATOM 0 HB ILE A 14 13.387 -29.756 -12.401 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.642 -31.879 -14.469 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.209 -31.102 -14.362 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.656 -31.361 -11.638 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.951 -29.753 -11.929 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.719 -31.055 -13.120 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.225 -33.278 -13.168 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.478 -31.937 -12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.886 -32.725 -12.134 1.00 0.00 H new ATOM 239 N GLY A 15 12.400 -27.059 -12.961 1.00 0.00 N ATOM 240 CA GLY A 15 11.772 -25.879 -12.302 1.00 0.00 C ATOM 241 C GLY A 15 10.868 -26.360 -11.164 1.00 0.00 C ATOM 242 O GLY A 15 11.169 -27.319 -10.483 1.00 0.00 O ATOM 0 H GLY A 15 13.419 -27.089 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.542 -25.212 -11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.192 -25.308 -13.027 1.00 0.00 H new ATOM 246 N TYR A 16 9.760 -25.704 -10.952 1.00 0.00 N ATOM 247 CA TYR A 16 8.843 -26.134 -9.859 1.00 0.00 C ATOM 248 C TYR A 16 7.602 -26.791 -10.465 1.00 0.00 C ATOM 249 O TYR A 16 7.193 -26.473 -11.563 1.00 0.00 O ATOM 250 CB TYR A 16 8.426 -24.918 -9.028 1.00 0.00 C ATOM 251 CG TYR A 16 8.344 -25.313 -7.574 1.00 0.00 C ATOM 252 CD1 TYR A 16 9.479 -25.225 -6.759 1.00 0.00 C ATOM 253 CD2 TYR A 16 7.134 -25.773 -7.040 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.404 -25.598 -5.412 1.00 0.00 C ATOM 255 CE2 TYR A 16 7.058 -26.144 -5.693 1.00 0.00 C ATOM 256 CZ TYR A 16 8.194 -26.057 -4.878 1.00 0.00 C ATOM 257 OH TYR A 16 8.121 -26.425 -3.551 1.00 0.00 O ATOM 0 H TYR A 16 9.451 -24.892 -11.486 1.00 0.00 H new ATOM 0 HA TYR A 16 9.356 -26.849 -9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.146 -24.110 -9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.461 -24.543 -9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.412 -24.869 -7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.258 -25.841 -7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.280 -25.532 -4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.124 -26.497 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 16 8.435 -27.348 -3.450 1.00 0.00 H new ATOM 267 N LEU A 17 7.003 -27.710 -9.759 1.00 0.00 N ATOM 268 CA LEU A 17 5.792 -28.391 -10.299 1.00 0.00 C ATOM 269 C LEU A 17 4.574 -28.044 -9.438 1.00 0.00 C ATOM 270 O LEU A 17 4.547 -28.296 -8.250 1.00 0.00 O ATOM 271 CB LEU A 17 6.011 -29.906 -10.282 1.00 0.00 C ATOM 272 CG LEU A 17 4.815 -30.605 -10.932 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.858 -30.389 -12.446 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.874 -32.103 -10.629 1.00 0.00 C ATOM 0 H LEU A 17 7.299 -28.019 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 17 5.617 -28.056 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.927 -30.157 -10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.135 -30.254 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 17 3.890 -30.189 -10.532 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.006 -30.887 -12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.816 -29.322 -12.663 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.783 -30.804 -12.847 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.022 -32.602 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.799 -32.519 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.843 -32.258 -9.550 1.00 0.00 H new ATOM 286 N CYS A 18 3.564 -27.471 -10.033 1.00 0.00 N ATOM 287 CA CYS A 18 2.342 -27.111 -9.260 1.00 0.00 C ATOM 288 C CYS A 18 1.107 -27.521 -10.061 1.00 0.00 C ATOM 289 O CYS A 18 1.158 -27.661 -11.267 1.00 0.00 O ATOM 290 CB CYS A 18 2.316 -25.600 -9.017 1.00 0.00 C ATOM 291 SG CYS A 18 3.796 -25.116 -8.097 1.00 0.00 S ATOM 0 H CYS A 18 3.533 -27.236 -11.025 1.00 0.00 H new ATOM 0 HA CYS A 18 2.348 -27.629 -8.301 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.275 -25.068 -9.967 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.421 -25.325 -8.459 1.00 0.00 H new ATOM 296 N PRO A 19 -0.026 -27.720 -9.374 1.00 0.00 N ATOM 297 CA PRO A 19 -1.281 -28.118 -10.019 1.00 0.00 C ATOM 298 C PRO A 19 -1.867 -26.985 -10.862 1.00 0.00 C ATOM 299 O PRO A 19 -1.492 -25.837 -10.726 1.00 0.00 O ATOM 300 CB PRO A 19 -2.206 -28.431 -8.847 1.00 0.00 C ATOM 301 CG PRO A 19 -1.659 -27.632 -7.711 1.00 0.00 C ATOM 302 CD PRO A 19 -0.171 -27.570 -7.916 1.00 0.00 C ATOM 0 HA PRO A 19 -1.142 -28.957 -10.701 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.236 -28.151 -9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.208 -29.497 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.091 -26.632 -7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.901 -28.098 -6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.245 -26.626 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.343 -28.365 -7.376 1.00 0.00 H new ATOM 310 N LYS A 20 -2.786 -27.299 -11.731 1.00 0.00 N ATOM 311 CA LYS A 20 -3.396 -26.239 -12.581 1.00 0.00 C ATOM 312 C LYS A 20 -4.590 -25.623 -11.848 1.00 0.00 C ATOM 313 O LYS A 20 -5.145 -24.629 -12.272 1.00 0.00 O ATOM 314 CB LYS A 20 -3.863 -26.849 -13.904 1.00 0.00 C ATOM 315 CG LYS A 20 -2.656 -27.420 -14.653 1.00 0.00 C ATOM 316 CD LYS A 20 -3.108 -27.959 -16.012 1.00 0.00 C ATOM 317 CE LYS A 20 -1.899 -28.518 -16.766 1.00 0.00 C ATOM 318 NZ LYS A 20 -2.230 -29.868 -17.305 1.00 0.00 N ATOM 0 H LYS A 20 -3.141 -28.242 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.656 -25.464 -12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.594 -27.635 -13.717 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.358 -26.092 -14.512 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.900 -26.647 -14.790 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.195 -28.217 -14.069 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.857 -28.739 -15.875 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.577 -27.165 -16.593 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.623 -27.848 -17.580 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.039 -28.582 -16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.409 -30.248 -17.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.474 -30.505 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.039 -29.794 -17.954 1.00 0.00 H new ATOM 332 N ASP A 21 -4.984 -26.203 -10.746 1.00 0.00 N ATOM 333 CA ASP A 21 -6.135 -25.647 -9.983 1.00 0.00 C ATOM 334 C ASP A 21 -5.669 -24.425 -9.190 1.00 0.00 C ATOM 335 O ASP A 21 -4.901 -24.538 -8.256 1.00 0.00 O ATOM 336 CB ASP A 21 -6.666 -26.709 -9.019 1.00 0.00 C ATOM 337 CG ASP A 21 -8.005 -26.248 -8.438 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.481 -25.206 -8.854 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.530 -26.947 -7.586 1.00 0.00 O ATOM 0 H ASP A 21 -4.558 -27.037 -10.343 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.927 -25.355 -10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.791 -27.658 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.948 -26.878 -8.216 1.00 0.00 H new ATOM 344 N LEU A 22 -6.121 -23.257 -9.556 1.00 0.00 N ATOM 345 CA LEU A 22 -5.693 -22.035 -8.819 1.00 0.00 C ATOM 346 C LEU A 22 -6.497 -21.907 -7.524 1.00 0.00 C ATOM 347 O LEU A 22 -7.711 -21.862 -7.537 1.00 0.00 O ATOM 348 CB LEU A 22 -5.932 -20.798 -9.689 1.00 0.00 C ATOM 349 CG LEU A 22 -5.537 -19.545 -8.903 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.065 -19.641 -8.498 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.748 -18.305 -9.773 1.00 0.00 C ATOM 0 H LEU A 22 -6.765 -23.096 -10.330 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.632 -22.113 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.347 -20.866 -10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.980 -20.742 -9.982 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.156 -19.468 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.783 -18.749 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.916 -20.523 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.446 -19.719 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.466 -17.414 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.131 -18.380 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.797 -18.236 -10.060 1.00 0.00 H new ATOM 363 N LYS A 23 -5.827 -21.842 -6.408 1.00 0.00 N ATOM 364 CA LYS A 23 -6.547 -21.710 -5.110 1.00 0.00 C ATOM 365 C LYS A 23 -5.776 -20.745 -4.207 1.00 0.00 C ATOM 366 O LYS A 23 -4.708 -21.059 -3.724 1.00 0.00 O ATOM 367 CB LYS A 23 -6.644 -23.080 -4.435 1.00 0.00 C ATOM 368 CG LYS A 23 -7.583 -23.979 -5.241 1.00 0.00 C ATOM 369 CD LYS A 23 -8.104 -25.108 -4.349 1.00 0.00 C ATOM 370 CE LYS A 23 -6.927 -25.939 -3.834 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.137 -27.371 -4.189 1.00 0.00 N ATOM 0 H LYS A 23 -4.810 -21.875 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.552 -21.326 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.656 -23.535 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.014 -22.970 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.417 -23.395 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.057 -24.394 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.664 -24.694 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.791 -25.741 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.995 -25.578 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.837 -25.831 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.337 -27.936 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.018 -27.711 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.202 -27.466 -5.223 1.00 0.00 H new ATOM 385 N PRO A 24 -6.335 -19.545 -3.984 1.00 0.00 N ATOM 386 CA PRO A 24 -5.702 -18.512 -3.148 1.00 0.00 C ATOM 387 C PRO A 24 -5.556 -18.956 -1.692 1.00 0.00 C ATOM 388 O PRO A 24 -6.513 -19.324 -1.043 1.00 0.00 O ATOM 389 CB PRO A 24 -6.668 -17.329 -3.255 1.00 0.00 C ATOM 390 CG PRO A 24 -7.975 -17.952 -3.607 1.00 0.00 C ATOM 391 CD PRO A 24 -7.633 -19.098 -4.515 1.00 0.00 C ATOM 0 HA PRO A 24 -4.689 -18.282 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.729 -16.779 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.346 -16.621 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.499 -18.298 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.631 -17.237 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.383 -19.888 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.560 -18.784 -5.556 1.00 0.00 H new ATOM 399 N VAL A 25 -4.355 -18.932 -1.179 1.00 0.00 N ATOM 400 CA VAL A 25 -4.137 -19.357 0.234 1.00 0.00 C ATOM 401 C VAL A 25 -3.535 -18.201 1.034 1.00 0.00 C ATOM 402 O VAL A 25 -2.917 -17.309 0.488 1.00 0.00 O ATOM 403 CB VAL A 25 -3.173 -20.542 0.259 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.755 -21.692 -0.565 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.832 -20.113 -0.339 1.00 0.00 C ATOM 0 H VAL A 25 -3.516 -18.636 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.091 -19.645 0.677 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.027 -20.873 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.067 -22.537 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.713 -21.995 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.901 -21.365 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.140 -20.955 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.981 -19.785 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.418 -19.293 0.247 1.00 0.00 H new ATOM 415 N CYS A 26 -3.708 -18.213 2.327 1.00 0.00 N ATOM 416 CA CYS A 26 -3.144 -17.120 3.169 1.00 0.00 C ATOM 417 C CYS A 26 -1.819 -17.584 3.779 1.00 0.00 C ATOM 418 O CYS A 26 -1.769 -18.549 4.512 1.00 0.00 O ATOM 419 CB CYS A 26 -4.127 -16.781 4.289 1.00 0.00 C ATOM 420 SG CYS A 26 -3.449 -15.445 5.305 1.00 0.00 S ATOM 0 H CYS A 26 -4.217 -18.934 2.838 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.975 -16.236 2.554 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.086 -16.480 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.312 -17.662 4.904 1.00 0.00 H new ATOM 425 N GLY A 27 -0.746 -16.902 3.486 1.00 0.00 N ATOM 426 CA GLY A 27 0.571 -17.306 4.054 1.00 0.00 C ATOM 427 C GLY A 27 0.620 -16.946 5.540 1.00 0.00 C ATOM 428 O GLY A 27 0.238 -15.863 5.937 1.00 0.00 O ATOM 0 H GLY A 27 -0.724 -16.083 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.721 -18.378 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.378 -16.804 3.521 1.00 0.00 H new ATOM 432 N ASP A 28 1.085 -17.844 6.365 1.00 0.00 N ATOM 433 CA ASP A 28 1.157 -17.551 7.824 1.00 0.00 C ATOM 434 C ASP A 28 2.207 -16.469 8.082 1.00 0.00 C ATOM 435 O ASP A 28 2.342 -15.972 9.182 1.00 0.00 O ATOM 436 CB ASP A 28 1.536 -18.823 8.584 1.00 0.00 C ATOM 437 CG ASP A 28 2.921 -19.291 8.134 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.574 -18.549 7.420 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.306 -20.386 8.512 1.00 0.00 O ATOM 0 H ASP A 28 1.418 -18.768 6.091 1.00 0.00 H new ATOM 0 HA ASP A 28 0.185 -17.199 8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.536 -18.632 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.798 -19.604 8.399 1.00 0.00 H new ATOM 444 N ASP A 29 2.951 -16.098 7.077 1.00 0.00 N ATOM 445 CA ASP A 29 3.990 -15.047 7.270 1.00 0.00 C ATOM 446 C ASP A 29 3.356 -13.666 7.089 1.00 0.00 C ATOM 447 O ASP A 29 4.037 -12.660 7.062 1.00 0.00 O ATOM 448 CB ASP A 29 5.104 -15.236 6.240 1.00 0.00 C ATOM 449 CG ASP A 29 5.870 -16.525 6.549 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.668 -17.067 7.623 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.644 -16.946 5.706 1.00 0.00 O ATOM 0 H ASP A 29 2.885 -16.476 6.132 1.00 0.00 H new ATOM 0 HA ASP A 29 4.407 -15.127 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.682 -15.283 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.782 -14.383 6.261 1.00 0.00 H new ATOM 456 N GLY A 30 2.058 -13.608 6.961 1.00 0.00 N ATOM 457 CA GLY A 30 1.385 -12.292 6.781 1.00 0.00 C ATOM 458 C GLY A 30 1.275 -11.980 5.287 1.00 0.00 C ATOM 459 O GLY A 30 1.049 -10.853 4.893 1.00 0.00 O ATOM 0 H GLY A 30 1.435 -14.416 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.394 -12.313 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.950 -11.509 7.287 1.00 0.00 H new ATOM 463 N GLN A 31 1.434 -12.970 4.453 1.00 0.00 N ATOM 464 CA GLN A 31 1.339 -12.733 2.985 1.00 0.00 C ATOM 465 C GLN A 31 0.313 -13.691 2.379 1.00 0.00 C ATOM 466 O GLN A 31 -0.177 -14.587 3.035 1.00 0.00 O ATOM 467 CB GLN A 31 2.706 -12.975 2.341 1.00 0.00 C ATOM 468 CG GLN A 31 3.696 -11.913 2.824 1.00 0.00 C ATOM 469 CD GLN A 31 5.090 -12.231 2.280 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.326 -13.310 1.774 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.031 -11.331 2.365 1.00 0.00 N ATOM 0 H GLN A 31 1.626 -13.934 4.725 1.00 0.00 H new ATOM 0 HA GLN A 31 1.027 -11.705 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.070 -13.970 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.619 -12.939 1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.379 -10.926 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.716 -11.888 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.833 -10.425 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.964 -11.534 2.007 1.00 0.00 H new ATOM 480 N THR A 32 -0.013 -13.511 1.128 1.00 0.00 N ATOM 481 CA THR A 32 -1.005 -14.415 0.477 1.00 0.00 C ATOM 482 C THR A 32 -0.424 -14.934 -0.839 1.00 0.00 C ATOM 483 O THR A 32 0.258 -14.224 -1.550 1.00 0.00 O ATOM 484 CB THR A 32 -2.294 -13.641 0.194 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.798 -13.101 1.408 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.330 -14.587 -0.416 1.00 0.00 C ATOM 0 H THR A 32 0.364 -12.777 0.528 1.00 0.00 H new ATOM 0 HA THR A 32 -1.225 -15.253 1.138 1.00 0.00 H new ATOM 0 HB THR A 32 -2.088 -12.830 -0.504 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.674 -13.751 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.249 -14.038 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.942 -15.000 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.538 -15.398 0.282 1.00 0.00 H new ATOM 494 N TYR A 33 -0.690 -16.167 -1.166 1.00 0.00 N ATOM 495 CA TYR A 33 -0.151 -16.731 -2.436 1.00 0.00 C ATOM 496 C TYR A 33 -1.309 -17.254 -3.285 1.00 0.00 C ATOM 497 O TYR A 33 -2.144 -18.004 -2.820 1.00 0.00 O ATOM 498 CB TYR A 33 0.810 -17.875 -2.112 1.00 0.00 C ATOM 499 CG TYR A 33 1.919 -17.354 -1.230 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.657 -17.032 0.106 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.209 -17.189 -1.750 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.684 -16.544 0.924 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.235 -16.702 -0.933 1.00 0.00 C ATOM 504 CZ TYR A 33 3.972 -16.379 0.405 1.00 0.00 C ATOM 505 OH TYR A 33 4.984 -15.898 1.209 1.00 0.00 O ATOM 0 H TYR A 33 -1.256 -16.808 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 33 0.382 -15.957 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.278 -18.682 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.224 -18.290 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.662 -17.160 0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.412 -17.438 -2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.481 -16.295 1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.230 -16.575 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 33 4.895 -14.926 1.301 1.00 0.00 H new ATOM 515 N ASN A 34 -1.374 -16.856 -4.526 1.00 0.00 N ATOM 516 CA ASN A 34 -2.486 -17.325 -5.396 1.00 0.00 C ATOM 517 C ASN A 34 -2.591 -18.850 -5.327 1.00 0.00 C ATOM 518 O ASN A 34 -3.432 -19.387 -4.640 1.00 0.00 O ATOM 519 CB ASN A 34 -2.238 -16.880 -6.841 1.00 0.00 C ATOM 520 CG ASN A 34 -1.696 -15.450 -6.847 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.221 -14.585 -6.174 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.661 -15.163 -7.586 1.00 0.00 N ATOM 0 H ASN A 34 -0.706 -16.228 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.422 -16.890 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.528 -17.552 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.164 -16.932 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.292 -14.212 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.220 -15.889 -8.151 1.00 0.00 H new ATOM 529 N ASN A 35 -1.753 -19.554 -6.030 1.00 0.00 N ATOM 530 CA ASN A 35 -1.822 -21.043 -6.000 1.00 0.00 C ATOM 531 C ASN A 35 -1.097 -21.570 -4.758 1.00 0.00 C ATOM 532 O ASN A 35 -0.126 -20.994 -4.307 1.00 0.00 O ATOM 533 CB ASN A 35 -1.166 -21.596 -7.269 1.00 0.00 C ATOM 534 CG ASN A 35 -0.993 -23.111 -7.161 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.244 -23.591 -6.334 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.658 -23.889 -7.971 1.00 0.00 N ATOM 0 H ASN A 35 -1.022 -19.165 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.862 -21.365 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.778 -21.354 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.196 -21.122 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.549 -24.901 -7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.287 -23.485 -8.665 1.00 0.00 H new ATOM 543 N PRO A 36 -1.575 -22.695 -4.196 1.00 0.00 N ATOM 544 CA PRO A 36 -0.968 -23.309 -3.006 1.00 0.00 C ATOM 545 C PRO A 36 0.464 -23.778 -3.274 1.00 0.00 C ATOM 546 O PRO A 36 1.381 -23.429 -2.557 1.00 0.00 O ATOM 547 CB PRO A 36 -1.882 -24.501 -2.714 1.00 0.00 C ATOM 548 CG PRO A 36 -2.517 -24.804 -4.027 1.00 0.00 C ATOM 549 CD PRO A 36 -2.739 -23.465 -4.671 1.00 0.00 C ATOM 0 HA PRO A 36 -0.890 -22.609 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.317 -25.354 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.628 -24.255 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.873 -25.435 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.457 -25.340 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.765 -23.535 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.681 -23.014 -4.359 1.00 0.00 H new ATOM 557 N CYS A 37 0.673 -24.549 -4.307 1.00 0.00 N ATOM 558 CA CYS A 37 2.057 -25.009 -4.611 1.00 0.00 C ATOM 559 C CYS A 37 2.905 -23.785 -4.953 1.00 0.00 C ATOM 560 O CYS A 37 4.104 -23.767 -4.755 1.00 0.00 O ATOM 561 CB CYS A 37 2.028 -25.973 -5.800 1.00 0.00 C ATOM 562 SG CYS A 37 3.711 -26.232 -6.416 1.00 0.00 S ATOM 0 H CYS A 37 -0.049 -24.878 -4.948 1.00 0.00 H new ATOM 0 HA CYS A 37 2.481 -25.527 -3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.590 -26.925 -5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.398 -25.569 -6.593 1.00 0.00 H new ATOM 567 N MET A 38 2.283 -22.757 -5.464 1.00 0.00 N ATOM 568 CA MET A 38 3.036 -21.524 -5.817 1.00 0.00 C ATOM 569 C MET A 38 3.652 -20.930 -4.548 1.00 0.00 C ATOM 570 O MET A 38 4.544 -20.108 -4.604 1.00 0.00 O ATOM 571 CB MET A 38 2.078 -20.509 -6.450 1.00 0.00 C ATOM 572 CG MET A 38 2.044 -20.715 -7.967 1.00 0.00 C ATOM 573 SD MET A 38 3.700 -20.457 -8.651 1.00 0.00 S ATOM 574 CE MET A 38 3.782 -18.670 -8.379 1.00 0.00 C ATOM 0 H MET A 38 1.281 -22.720 -5.652 1.00 0.00 H new ATOM 0 HA MET A 38 3.828 -21.764 -6.527 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.078 -20.629 -6.034 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.401 -19.494 -6.217 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.696 -21.721 -8.200 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.339 -20.020 -8.423 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.304 -18.199 -9.212 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.772 -18.266 -8.309 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.319 -18.467 -7.452 1.00 0.00 H new ATOM 584 N LEU A 39 3.184 -21.349 -3.401 1.00 0.00 N ATOM 585 CA LEU A 39 3.745 -20.816 -2.126 1.00 0.00 C ATOM 586 C LEU A 39 5.174 -21.318 -1.961 1.00 0.00 C ATOM 587 O LEU A 39 6.090 -20.550 -1.744 1.00 0.00 O ATOM 588 CB LEU A 39 2.892 -21.295 -0.952 1.00 0.00 C ATOM 589 CG LEU A 39 3.524 -20.826 0.359 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.035 -19.416 0.688 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.124 -21.779 1.489 1.00 0.00 C ATOM 0 H LEU A 39 2.438 -22.037 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 39 3.741 -19.726 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.879 -20.903 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.816 -22.382 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 39 4.609 -20.819 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.486 -19.083 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.319 -18.736 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.950 -19.422 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.575 -21.445 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.039 -21.787 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.474 -22.785 1.257 1.00 0.00 H new ATOM 603 N CYS A 40 5.381 -22.598 -2.074 1.00 0.00 N ATOM 604 CA CYS A 40 6.763 -23.125 -1.935 1.00 0.00 C ATOM 605 C CYS A 40 7.609 -22.559 -3.071 1.00 0.00 C ATOM 606 O CYS A 40 8.821 -22.535 -3.007 1.00 0.00 O ATOM 607 CB CYS A 40 6.756 -24.652 -1.992 1.00 0.00 C ATOM 608 SG CYS A 40 5.331 -25.292 -1.078 1.00 0.00 S ATOM 0 H CYS A 40 4.660 -23.296 -2.255 1.00 0.00 H new ATOM 0 HA CYS A 40 7.180 -22.825 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.715 -24.986 -3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.679 -25.045 -1.567 1.00 0.00 H new ATOM 613 N HIS A 41 6.971 -22.080 -4.105 1.00 0.00 N ATOM 614 CA HIS A 41 7.729 -21.489 -5.240 1.00 0.00 C ATOM 615 C HIS A 41 8.363 -20.184 -4.769 1.00 0.00 C ATOM 616 O HIS A 41 9.566 -20.015 -4.807 1.00 0.00 O ATOM 617 CB HIS A 41 6.774 -21.202 -6.397 1.00 0.00 C ATOM 618 CG HIS A 41 7.565 -21.003 -7.661 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.365 -22.000 -8.197 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.692 -19.927 -8.504 1.00 0.00 C ATOM 621 CE1 HIS A 41 8.932 -21.508 -9.314 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.556 -20.248 -9.547 1.00 0.00 N ATOM 0 H HIS A 41 5.957 -22.073 -4.211 1.00 0.00 H new ATOM 0 HA HIS A 41 8.500 -22.182 -5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.075 -22.029 -6.519 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.182 -20.313 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.197 -18.976 -8.377 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.609 -22.065 -9.945 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.841 -19.650 -10.322 1.00 0.00 H new ATOM 630 N GLU A 42 7.563 -19.266 -4.301 1.00 0.00 N ATOM 631 CA GLU A 42 8.124 -17.982 -3.804 1.00 0.00 C ATOM 632 C GLU A 42 8.988 -18.280 -2.580 1.00 0.00 C ATOM 633 O GLU A 42 9.824 -17.491 -2.181 1.00 0.00 O ATOM 634 CB GLU A 42 6.983 -17.040 -3.411 1.00 0.00 C ATOM 635 CG GLU A 42 7.533 -15.629 -3.202 1.00 0.00 C ATOM 636 CD GLU A 42 6.395 -14.698 -2.779 1.00 0.00 C ATOM 637 OE1 GLU A 42 5.251 -15.053 -3.006 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.688 -13.645 -2.235 1.00 0.00 O ATOM 0 H GLU A 42 6.548 -19.351 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 42 8.722 -17.506 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.220 -17.032 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.504 -17.394 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.312 -15.640 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.992 -15.266 -4.121 1.00 0.00 H new ATOM 645 N ASN A 43 8.791 -19.427 -1.985 1.00 0.00 N ATOM 646 CA ASN A 43 9.596 -19.796 -0.790 1.00 0.00 C ATOM 647 C ASN A 43 11.018 -20.133 -1.236 1.00 0.00 C ATOM 648 O ASN A 43 11.973 -19.908 -0.520 1.00 0.00 O ATOM 649 CB ASN A 43 8.967 -21.011 -0.105 1.00 0.00 C ATOM 650 CG ASN A 43 7.685 -20.581 0.615 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.485 -19.411 0.874 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.804 -21.483 0.951 1.00 0.00 N ATOM 0 H ASN A 43 8.106 -20.123 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 43 9.620 -18.964 -0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.742 -21.782 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.669 -21.445 0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.948 -21.206 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.972 -22.465 0.734 1.00 0.00 H new ATOM 659 N LEU A 44 11.170 -20.661 -2.422 1.00 0.00 N ATOM 660 CA LEU A 44 12.535 -20.998 -2.914 1.00 0.00 C ATOM 661 C LEU A 44 13.381 -19.725 -2.926 1.00 0.00 C ATOM 662 O LEU A 44 14.549 -19.739 -2.593 1.00 0.00 O ATOM 663 CB LEU A 44 12.447 -21.563 -4.334 1.00 0.00 C ATOM 664 CG LEU A 44 11.602 -22.837 -4.324 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.708 -23.531 -5.682 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.107 -23.778 -3.229 1.00 0.00 C ATOM 0 H LEU A 44 10.410 -20.872 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 44 12.989 -21.743 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.004 -20.826 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.446 -21.779 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 44 10.561 -22.579 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.105 -24.439 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.345 -22.861 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.749 -23.788 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.504 -24.686 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.148 -24.035 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.029 -23.284 -2.260 1.00 0.00 H new ATOM 678 N ILE A 45 12.793 -18.622 -3.302 1.00 0.00 N ATOM 679 CA ILE A 45 13.554 -17.342 -3.329 1.00 0.00 C ATOM 680 C ILE A 45 13.755 -16.850 -1.897 1.00 0.00 C ATOM 681 O ILE A 45 14.857 -16.554 -1.480 1.00 0.00 O ATOM 682 CB ILE A 45 12.766 -16.292 -4.118 1.00 0.00 C ATOM 683 CG1 ILE A 45 12.150 -16.938 -5.361 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.707 -15.163 -4.543 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.534 -15.852 -6.247 1.00 0.00 C ATOM 0 H ILE A 45 11.817 -18.553 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 45 14.521 -17.502 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 45 11.972 -15.888 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.912 -17.486 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.388 -17.660 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.147 -14.415 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.144 -14.701 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.501 -15.568 -5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.095 -16.311 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.760 -15.324 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.308 -15.147 -6.550 1.00 0.00 H new ATOM 697 N ARG A 46 12.696 -16.762 -1.140 1.00 0.00 N ATOM 698 CA ARG A 46 12.824 -16.291 0.267 1.00 0.00 C ATOM 699 C ARG A 46 13.619 -17.318 1.077 1.00 0.00 C ATOM 700 O ARG A 46 14.235 -16.995 2.073 1.00 0.00 O ATOM 701 CB ARG A 46 11.431 -16.126 0.876 1.00 0.00 C ATOM 702 CG ARG A 46 10.669 -15.040 0.115 1.00 0.00 C ATOM 703 CD ARG A 46 9.290 -14.845 0.750 1.00 0.00 C ATOM 704 NE ARG A 46 8.582 -16.155 0.804 1.00 0.00 N ATOM 705 CZ ARG A 46 8.061 -16.569 1.926 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.689 -16.364 3.052 1.00 0.00 N ATOM 707 NH2 ARG A 46 6.914 -17.190 1.925 1.00 0.00 N ATOM 0 H ARG A 46 11.748 -16.996 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 46 13.344 -15.333 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.887 -17.069 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.512 -15.858 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.228 -14.104 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.562 -15.322 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.394 -14.434 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.708 -14.128 0.171 1.00 0.00 H new ATOM 0 HE ARG A 46 8.505 -16.728 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.587 -15.880 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.282 -16.688 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.423 -17.353 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.508 -17.513 2.803 1.00 0.00 H new ATOM 721 N GLN A 47 13.607 -18.554 0.657 1.00 0.00 N ATOM 722 CA GLN A 47 14.359 -19.607 1.397 1.00 0.00 C ATOM 723 C GLN A 47 13.768 -19.768 2.798 1.00 0.00 C ATOM 724 O GLN A 47 14.484 -19.861 3.777 1.00 0.00 O ATOM 725 CB GLN A 47 15.832 -19.206 1.505 1.00 0.00 C ATOM 726 CG GLN A 47 16.434 -19.102 0.102 1.00 0.00 C ATOM 727 CD GLN A 47 17.918 -18.745 0.208 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.380 -18.320 1.248 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.689 -18.901 -0.833 1.00 0.00 N ATOM 0 H GLN A 47 13.107 -18.881 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 47 14.281 -20.552 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.924 -18.252 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.379 -19.943 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.313 -20.047 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.907 -18.343 -0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.301 -19.258 -1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.680 -18.666 -0.774 1.00 0.00 H new ATOM 738 N THR A 48 12.469 -19.806 2.904 1.00 0.00 N ATOM 739 CA THR A 48 11.835 -19.963 4.243 1.00 0.00 C ATOM 740 C THR A 48 10.797 -21.087 4.189 1.00 0.00 C ATOM 741 O THR A 48 10.428 -21.556 3.129 1.00 0.00 O ATOM 742 CB THR A 48 11.148 -18.654 4.639 1.00 0.00 C ATOM 743 OG1 THR A 48 9.920 -18.533 3.936 1.00 0.00 O ATOM 744 CG2 THR A 48 12.058 -17.475 4.291 1.00 0.00 C ATOM 0 H THR A 48 11.819 -19.735 2.121 1.00 0.00 H new ATOM 0 HA THR A 48 12.600 -20.210 4.979 1.00 0.00 H new ATOM 0 HB THR A 48 10.952 -18.655 5.711 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.174 -18.603 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.569 -16.542 4.573 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.999 -17.569 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.255 -17.472 3.219 1.00 0.00 H new ATOM 752 N ASN A 49 10.321 -21.522 5.324 1.00 0.00 N ATOM 753 CA ASN A 49 9.306 -22.613 5.340 1.00 0.00 C ATOM 754 C ASN A 49 7.926 -22.014 5.614 1.00 0.00 C ATOM 755 O ASN A 49 7.316 -22.274 6.632 1.00 0.00 O ATOM 756 CB ASN A 49 9.652 -23.617 6.442 1.00 0.00 C ATOM 757 CG ASN A 49 11.034 -24.216 6.171 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.510 -24.196 5.054 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.703 -24.752 7.156 1.00 0.00 N ATOM 0 H ASN A 49 10.592 -21.168 6.242 1.00 0.00 H new ATOM 0 HA ASN A 49 9.301 -23.121 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.642 -23.124 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.902 -24.407 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.625 -25.154 6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.303 -24.769 8.094 1.00 0.00 H new ATOM 766 N THR A 50 7.429 -21.210 4.714 1.00 0.00 N ATOM 767 CA THR A 50 6.091 -20.592 4.924 1.00 0.00 C ATOM 768 C THR A 50 4.999 -21.644 4.727 1.00 0.00 C ATOM 769 O THR A 50 5.037 -22.427 3.798 1.00 0.00 O ATOM 770 CB THR A 50 5.888 -19.461 3.915 1.00 0.00 C ATOM 771 OG1 THR A 50 6.961 -18.535 4.024 1.00 0.00 O ATOM 772 CG2 THR A 50 4.565 -18.747 4.201 1.00 0.00 C ATOM 0 H THR A 50 7.893 -20.955 3.842 1.00 0.00 H new ATOM 0 HA THR A 50 6.034 -20.196 5.938 1.00 0.00 H new ATOM 0 HB THR A 50 5.863 -19.874 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.693 -17.790 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.423 -17.942 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.743 -19.458 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.586 -18.333 5.209 1.00 0.00 H new ATOM 780 N HIS A 51 4.021 -21.662 5.589 1.00 0.00 N ATOM 781 CA HIS A 51 2.921 -22.655 5.448 1.00 0.00 C ATOM 782 C HIS A 51 1.607 -21.908 5.212 1.00 0.00 C ATOM 783 O HIS A 51 1.539 -20.702 5.346 1.00 0.00 O ATOM 784 CB HIS A 51 2.812 -23.488 6.726 1.00 0.00 C ATOM 785 CG HIS A 51 4.126 -24.170 6.993 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.141 -23.562 7.714 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.606 -25.407 6.640 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.171 -24.425 7.773 1.00 0.00 C ATOM 789 NE2 HIS A 51 5.898 -25.566 7.134 1.00 0.00 N ATOM 0 H HIS A 51 3.936 -21.031 6.386 1.00 0.00 H new ATOM 0 HA HIS A 51 3.128 -23.317 4.607 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.544 -22.849 7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.019 -24.229 6.623 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.112 -22.629 8.125 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.064 -26.144 6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.105 -24.220 8.276 1.00 0.00 H new ATOM 797 N ILE A 52 0.564 -22.606 4.861 1.00 0.00 N ATOM 798 CA ILE A 52 -0.733 -21.916 4.619 1.00 0.00 C ATOM 799 C ILE A 52 -1.420 -21.633 5.954 1.00 0.00 C ATOM 800 O ILE A 52 -1.613 -22.516 6.766 1.00 0.00 O ATOM 801 CB ILE A 52 -1.638 -22.797 3.760 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.919 -23.160 2.459 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.924 -22.031 3.439 1.00 0.00 C ATOM 804 CD1 ILE A 52 -0.302 -21.900 1.847 1.00 0.00 C ATOM 0 H ILE A 52 0.553 -23.618 4.732 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.545 -20.977 4.098 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.880 -23.711 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.143 -23.900 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.620 -23.612 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.575 -22.654 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.436 -21.774 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.678 -21.119 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.210 -22.159 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.088 -21.175 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.412 -21.467 2.548 1.00 0.00 H new ATOM 816 N ARG A 53 -1.794 -20.407 6.184 1.00 0.00 N ATOM 817 CA ARG A 53 -2.473 -20.059 7.460 1.00 0.00 C ATOM 818 C ARG A 53 -3.970 -20.316 7.325 1.00 0.00 C ATOM 819 O ARG A 53 -4.590 -20.923 8.175 1.00 0.00 O ATOM 820 CB ARG A 53 -2.248 -18.579 7.765 1.00 0.00 C ATOM 821 CG ARG A 53 -2.830 -18.254 9.140 1.00 0.00 C ATOM 822 CD ARG A 53 -2.720 -16.751 9.400 1.00 0.00 C ATOM 823 NE ARG A 53 -3.123 -16.458 10.805 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.975 -15.256 11.290 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.256 -14.376 10.647 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.544 -14.933 12.419 1.00 0.00 N ATOM 0 H ARG A 53 -1.658 -19.628 5.540 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.066 -20.670 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.183 -18.349 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.722 -17.962 7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.873 -18.566 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.296 -18.807 9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.698 -16.415 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.358 -16.204 8.706 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.515 -17.198 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.810 -14.628 9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.141 -13.436 11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.105 -15.620 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.428 -13.993 12.798 1.00 0.00 H new ATOM 840 N SER A 54 -4.554 -19.848 6.261 1.00 0.00 N ATOM 841 CA SER A 54 -6.013 -20.050 6.060 1.00 0.00 C ATOM 842 C SER A 54 -6.308 -20.162 4.564 1.00 0.00 C ATOM 843 O SER A 54 -5.706 -19.486 3.752 1.00 0.00 O ATOM 844 CB SER A 54 -6.771 -18.857 6.643 1.00 0.00 C ATOM 845 OG SER A 54 -6.558 -18.800 8.045 1.00 0.00 O ATOM 0 H SER A 54 -4.082 -19.332 5.519 1.00 0.00 H new ATOM 0 HA SER A 54 -6.331 -20.964 6.561 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.431 -17.933 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.836 -18.950 6.430 1.00 0.00 H new ATOM 0 HG SER A 54 -7.042 -18.034 8.419 1.00 0.00 H new ATOM 851 N THR A 55 -7.225 -21.009 4.191 1.00 0.00 N ATOM 852 CA THR A 55 -7.552 -21.159 2.746 1.00 0.00 C ATOM 853 C THR A 55 -8.089 -19.832 2.207 1.00 0.00 C ATOM 854 O THR A 55 -8.671 -19.047 2.928 1.00 0.00 O ATOM 855 CB THR A 55 -8.611 -22.250 2.569 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.831 -21.822 3.157 1.00 0.00 O ATOM 857 CG2 THR A 55 -8.139 -23.538 3.246 1.00 0.00 C ATOM 0 H THR A 55 -7.762 -21.603 4.823 1.00 0.00 H new ATOM 0 HA THR A 55 -6.653 -21.438 2.197 1.00 0.00 H new ATOM 0 HB THR A 55 -8.766 -22.438 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.511 -22.518 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.894 -24.314 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.203 -23.865 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.983 -23.354 4.309 1.00 0.00 H new ATOM 865 N GLY A 56 -7.893 -19.576 0.944 1.00 0.00 N ATOM 866 CA GLY A 56 -8.388 -18.299 0.356 1.00 0.00 C ATOM 867 C GLY A 56 -7.361 -17.196 0.611 1.00 0.00 C ATOM 868 O GLY A 56 -6.455 -17.346 1.407 1.00 0.00 O ATOM 0 H GLY A 56 -7.411 -20.196 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.553 -18.418 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.347 -18.029 0.798 1.00 0.00 H new ATOM 872 N LYS A 57 -7.498 -16.090 -0.060 1.00 0.00 N ATOM 873 CA LYS A 57 -6.533 -14.973 0.137 1.00 0.00 C ATOM 874 C LYS A 57 -6.565 -14.524 1.600 1.00 0.00 C ATOM 875 O LYS A 57 -7.590 -14.572 2.251 1.00 0.00 O ATOM 876 CB LYS A 57 -6.920 -13.799 -0.764 1.00 0.00 C ATOM 877 CG LYS A 57 -6.756 -14.205 -2.231 1.00 0.00 C ATOM 878 CD LYS A 57 -6.969 -12.983 -3.124 1.00 0.00 C ATOM 879 CE LYS A 57 -6.932 -13.412 -4.592 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.984 -12.679 -5.352 1.00 0.00 N ATOM 0 H LYS A 57 -8.238 -15.909 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.529 -15.311 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.951 -13.503 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.293 -12.935 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.762 -14.620 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.474 -14.985 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.926 -12.514 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.196 -12.239 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.950 -13.205 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.093 -14.487 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.958 -12.971 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.918 -12.898 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.810 -11.656 -5.286 1.00 0.00 H new ATOM 894 N CYS A 58 -5.452 -14.089 2.121 1.00 0.00 N ATOM 895 CA CYS A 58 -5.420 -13.637 3.541 1.00 0.00 C ATOM 896 C CYS A 58 -6.598 -12.697 3.801 1.00 0.00 C ATOM 897 O CYS A 58 -6.963 -11.896 2.962 1.00 0.00 O ATOM 898 CB CYS A 58 -4.107 -12.899 3.812 1.00 0.00 C ATOM 899 SG CYS A 58 -2.762 -14.101 3.964 1.00 0.00 S ATOM 0 H CYS A 58 -4.563 -14.027 1.625 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.492 -14.502 4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.896 -12.201 3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.189 -12.311 4.726 1.00 0.00 H new ATOM 904 N GLU A 59 -7.197 -12.785 4.956 1.00 0.00 N ATOM 905 CA GLU A 59 -8.352 -11.896 5.266 1.00 0.00 C ATOM 906 C GLU A 59 -8.048 -11.086 6.528 1.00 0.00 C ATOM 907 O GLU A 59 -7.342 -10.098 6.418 1.00 0.00 O ATOM 908 CB GLU A 59 -9.604 -12.747 5.496 1.00 0.00 C ATOM 909 CG GLU A 59 -10.812 -11.832 5.698 1.00 0.00 C ATOM 910 CD GLU A 59 -12.045 -12.677 6.021 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.903 -13.886 6.111 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.110 -12.103 6.173 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.527 -11.469 7.584 1.00 0.00 O ATOM 0 H GLU A 59 -6.937 -13.434 5.699 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.522 -11.217 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.771 -13.405 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.468 -13.385 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.618 -11.129 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.988 -11.241 4.799 1.00 0.00 H new TER 920 GLU A 59