USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 435 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 140:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.094) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 161:sc=-0.00513 (180deg=-0.892) USER MOD Single : A 26 MET CE :methyl -179:sc= -0.017 (180deg=-0.0208) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 170:sc= -0.995 USER MOD Single : A 46 SER OG : rot -44:sc= 1.5 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.252 K(o=0.25,f=-3.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -3.15! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.03! C(o=-2!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.734 4.673 -0.883 1.00 0.00 N ATOM 19 CA LYS A 2 -12.091 3.409 -0.262 1.00 0.00 C ATOM 20 C LYS A 2 -11.069 2.343 -0.661 1.00 0.00 C ATOM 21 O LYS A 2 -10.921 2.030 -1.841 1.00 0.00 O ATOM 22 CB LYS A 2 -13.535 3.034 -0.603 1.00 0.00 C ATOM 23 CG LYS A 2 -14.504 3.567 0.455 1.00 0.00 C ATOM 24 CD LYS A 2 -15.740 2.671 0.567 1.00 0.00 C ATOM 25 CE LYS A 2 -16.732 2.963 -0.560 1.00 0.00 C ATOM 26 NZ LYS A 2 -18.081 3.221 -0.009 1.00 0.00 N ATOM 0 HA LYS A 2 -12.056 3.495 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.799 3.439 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.626 1.950 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.001 3.621 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.808 4.581 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.439 1.624 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.223 2.830 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.396 3.827 -1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.769 2.118 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.742 3.417 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.406 2.386 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.044 4.041 0.629 1.00 0.00 H new ATOM 39 N CYS A 3 -10.390 1.814 0.347 1.00 0.00 N ATOM 40 CA CYS A 3 -9.386 0.789 0.116 1.00 0.00 C ATOM 41 C CYS A 3 -9.748 -0.436 0.957 1.00 0.00 C ATOM 42 O CYS A 3 -10.647 -0.375 1.795 1.00 0.00 O ATOM 43 CB CYS A 3 -7.977 1.298 0.426 1.00 0.00 C ATOM 44 SG CYS A 3 -7.637 3.007 -0.133 1.00 0.00 S ATOM 0 H CYS A 3 -10.515 2.076 1.325 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.378 0.515 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.815 1.244 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.254 0.628 -0.039 1.00 0.00 H new ATOM 49 N LYS A 4 -9.031 -1.521 0.704 1.00 0.00 N ATOM 50 CA LYS A 4 -9.265 -2.759 1.428 1.00 0.00 C ATOM 51 C LYS A 4 -8.392 -2.784 2.684 1.00 0.00 C ATOM 52 O LYS A 4 -7.261 -2.302 2.667 1.00 0.00 O ATOM 53 CB LYS A 4 -9.056 -3.964 0.509 1.00 0.00 C ATOM 54 CG LYS A 4 -10.355 -4.340 -0.207 1.00 0.00 C ATOM 55 CD LYS A 4 -10.343 -5.810 -0.630 1.00 0.00 C ATOM 56 CE LYS A 4 -10.417 -5.944 -2.153 1.00 0.00 C ATOM 57 NZ LYS A 4 -9.058 -6.011 -2.734 1.00 0.00 N ATOM 0 H LYS A 4 -8.287 -1.569 0.007 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.302 -2.816 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.284 -3.736 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.699 -4.813 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.204 -4.154 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.487 -3.707 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.436 -6.290 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.186 -6.330 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.977 -6.841 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.957 -5.095 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.126 -6.102 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.536 -5.144 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.555 -6.835 -2.347 1.00 0.00 H new ATOM 70 N LYS A 5 -8.950 -3.351 3.743 1.00 0.00 N ATOM 71 CA LYS A 5 -8.237 -3.446 5.005 1.00 0.00 C ATOM 72 C LYS A 5 -7.196 -4.564 4.915 1.00 0.00 C ATOM 73 O LYS A 5 -6.968 -5.119 3.842 1.00 0.00 O ATOM 74 CB LYS A 5 -9.220 -3.613 6.165 1.00 0.00 C ATOM 75 CG LYS A 5 -10.015 -2.326 6.400 1.00 0.00 C ATOM 76 CD LYS A 5 -9.644 -1.690 7.741 1.00 0.00 C ATOM 77 CE LYS A 5 -10.844 -1.676 8.691 1.00 0.00 C ATOM 78 NZ LYS A 5 -10.590 -0.768 9.832 1.00 0.00 N ATOM 0 H LYS A 5 -9.889 -3.750 3.753 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.696 -2.522 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.905 -4.434 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.677 -3.880 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.819 -1.621 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.083 -2.545 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.822 -2.244 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.291 -0.671 7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.737 -1.355 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.038 -2.684 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.414 -0.770 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.750 -1.092 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.428 0.197 9.479 1.00 0.00 H new ATOM 91 N LEU A 6 -6.593 -4.861 6.057 1.00 0.00 N ATOM 92 CA LEU A 6 -5.582 -5.902 6.121 1.00 0.00 C ATOM 93 C LEU A 6 -6.035 -7.099 5.281 1.00 0.00 C ATOM 94 O LEU A 6 -5.449 -7.388 4.240 1.00 0.00 O ATOM 95 CB LEU A 6 -5.268 -6.256 7.576 1.00 0.00 C ATOM 96 CG LEU A 6 -4.154 -5.442 8.238 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.457 -5.200 9.718 1.00 0.00 C ATOM 98 CD2 LEU A 6 -2.792 -6.110 8.033 1.00 0.00 C ATOM 0 H LEU A 6 -6.786 -4.398 6.945 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.644 -5.548 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.178 -6.134 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.997 -7.311 7.622 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.110 -4.466 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.650 -4.619 10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.394 -4.651 9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.543 -6.157 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.017 -5.512 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.806 -7.107 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.582 -6.188 6.966 1.00 0.00 H new ATOM 108 N VAL A 7 -7.075 -7.761 5.767 1.00 0.00 N ATOM 109 CA VAL A 7 -7.614 -8.920 5.074 1.00 0.00 C ATOM 110 C VAL A 7 -8.541 -8.452 3.951 1.00 0.00 C ATOM 111 O VAL A 7 -9.387 -7.584 4.161 1.00 0.00 O ATOM 112 CB VAL A 7 -8.305 -9.851 6.072 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.803 -11.122 5.381 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.377 -10.189 7.240 1.00 0.00 C ATOM 0 H VAL A 7 -7.559 -7.517 6.631 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.812 -9.497 4.613 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.172 -9.327 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.290 -11.767 6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.515 -10.856 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.959 -11.650 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.893 -10.852 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.482 -10.684 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.094 -9.272 7.757 1.00 0.00 H new ATOM 122 N PRO A 8 -8.346 -9.063 2.752 1.00 0.00 N ATOM 123 CA PRO A 8 -9.155 -8.718 1.596 1.00 0.00 C ATOM 124 C PRO A 8 -10.559 -9.315 1.711 1.00 0.00 C ATOM 125 O PRO A 8 -11.011 -10.026 0.814 1.00 0.00 O ATOM 126 CB PRO A 8 -8.380 -9.249 0.401 1.00 0.00 C ATOM 127 CG PRO A 8 -7.405 -10.273 0.958 1.00 0.00 C ATOM 128 CD PRO A 8 -7.354 -10.095 2.467 1.00 0.00 C ATOM 0 HA PRO A 8 -9.319 -7.644 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.050 -9.704 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.852 -8.445 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.725 -11.283 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.415 -10.134 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.591 -11.025 2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.360 -9.791 2.797 1.00 0.00 H new ATOM 136 N LEU A 9 -11.210 -9.004 2.822 1.00 0.00 N ATOM 137 CA LEU A 9 -12.554 -9.501 3.066 1.00 0.00 C ATOM 138 C LEU A 9 -13.526 -8.321 3.127 1.00 0.00 C ATOM 139 O LEU A 9 -14.667 -8.429 2.680 1.00 0.00 O ATOM 140 CB LEU A 9 -12.580 -10.384 4.315 1.00 0.00 C ATOM 141 CG LEU A 9 -12.180 -11.847 4.111 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.914 -12.534 5.452 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.228 -12.592 3.283 1.00 0.00 C ATOM 0 H LEU A 9 -10.832 -8.414 3.563 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.879 -10.140 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.914 -9.946 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.586 -10.358 4.733 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.248 -11.871 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.632 -13.572 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.105 -12.019 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.816 -12.500 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.919 -13.629 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.188 -12.561 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.325 -12.117 2.307 1.00 0.00 H new ATOM 153 N PHE A 10 -13.039 -7.222 3.683 1.00 0.00 N ATOM 154 CA PHE A 10 -13.851 -6.023 3.807 1.00 0.00 C ATOM 155 C PHE A 10 -13.030 -4.771 3.494 1.00 0.00 C ATOM 156 O PHE A 10 -11.804 -4.788 3.585 1.00 0.00 O ATOM 157 CB PHE A 10 -14.328 -5.956 5.259 1.00 0.00 C ATOM 158 CG PHE A 10 -14.806 -7.296 5.820 1.00 0.00 C ATOM 159 CD1 PHE A 10 -16.098 -7.685 5.645 1.00 0.00 C ATOM 160 CD2 PHE A 10 -13.940 -8.099 6.494 1.00 0.00 C ATOM 161 CE1 PHE A 10 -16.541 -8.930 6.166 1.00 0.00 C ATOM 162 CE2 PHE A 10 -14.383 -9.343 7.015 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.675 -9.733 6.840 1.00 0.00 C ATOM 0 H PHE A 10 -12.092 -7.136 4.053 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.685 -6.063 3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.514 -5.583 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.141 -5.233 5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.786 -7.047 5.110 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.914 -7.790 6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.566 -9.239 6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.695 -9.980 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 -16.012 -10.679 7.236 1.00 0.00 H new ATOM 173 N SER A 11 -13.741 -3.713 3.130 1.00 0.00 N ATOM 174 CA SER A 11 -13.094 -2.454 2.803 1.00 0.00 C ATOM 175 C SER A 11 -13.665 -1.330 3.670 1.00 0.00 C ATOM 176 O SER A 11 -14.778 -1.442 4.182 1.00 0.00 O ATOM 177 CB SER A 11 -13.262 -2.117 1.320 1.00 0.00 C ATOM 178 OG SER A 11 -14.607 -2.292 0.882 1.00 0.00 O ATOM 0 H SER A 11 -14.758 -3.702 3.055 1.00 0.00 H new ATOM 0 HA SER A 11 -12.028 -2.555 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.955 -1.086 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.602 -2.751 0.727 1.00 0.00 H new ATOM 0 HG SER A 11 -14.850 -1.564 0.273 1.00 0.00 H new ATOM 184 N LYS A 12 -12.878 -0.274 3.808 1.00 0.00 N ATOM 185 CA LYS A 12 -13.292 0.869 4.605 1.00 0.00 C ATOM 186 C LYS A 12 -12.796 2.155 3.940 1.00 0.00 C ATOM 187 O LYS A 12 -11.966 2.109 3.034 1.00 0.00 O ATOM 188 CB LYS A 12 -12.828 0.707 6.054 1.00 0.00 C ATOM 189 CG LYS A 12 -13.980 0.244 6.949 1.00 0.00 C ATOM 190 CD LYS A 12 -14.595 1.423 7.705 1.00 0.00 C ATOM 191 CE LYS A 12 -15.489 0.936 8.847 1.00 0.00 C ATOM 192 NZ LYS A 12 -16.576 1.907 9.106 1.00 0.00 N ATOM 0 H LYS A 12 -11.956 -0.185 3.382 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.379 0.931 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.013 -0.016 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.435 1.655 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.744 -0.242 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.617 -0.499 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.803 2.057 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.178 2.036 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.914 -0.036 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.893 0.799 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.173 1.561 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.165 2.826 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.154 2.018 8.249 1.00 0.00 H new ATOM 205 N THR A 13 -13.326 3.272 4.417 1.00 0.00 N ATOM 206 CA THR A 13 -12.947 4.568 3.881 1.00 0.00 C ATOM 207 C THR A 13 -11.736 5.123 4.633 1.00 0.00 C ATOM 208 O THR A 13 -11.625 4.957 5.846 1.00 0.00 O ATOM 209 CB THR A 13 -14.173 5.481 3.943 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.983 5.051 2.853 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.837 6.936 3.607 1.00 0.00 C ATOM 0 H THR A 13 -14.015 3.306 5.169 1.00 0.00 H new ATOM 0 HA THR A 13 -12.634 4.490 2.840 1.00 0.00 H new ATOM 0 HB THR A 13 -14.612 5.431 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.801 5.590 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.742 7.541 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.102 7.313 4.318 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.428 6.991 2.598 1.00 0.00 H new ATOM 218 N CYS A 14 -10.860 5.773 3.881 1.00 0.00 N ATOM 219 CA CYS A 14 -9.661 6.354 4.461 1.00 0.00 C ATOM 220 C CYS A 14 -9.970 7.799 4.855 1.00 0.00 C ATOM 221 O CYS A 14 -10.633 8.521 4.112 1.00 0.00 O ATOM 222 CB CYS A 14 -8.470 6.266 3.505 1.00 0.00 C ATOM 223 SG CYS A 14 -8.352 4.699 2.567 1.00 0.00 S ATOM 0 H CYS A 14 -10.957 5.910 2.875 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.373 5.790 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.528 7.093 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.552 6.400 4.077 1.00 0.00 H new ATOM 228 N PRO A 15 -9.463 8.189 6.055 1.00 0.00 N ATOM 229 CA PRO A 15 -9.678 9.535 6.558 1.00 0.00 C ATOM 230 C PRO A 15 -8.797 10.544 5.818 1.00 0.00 C ATOM 231 O PRO A 15 -7.960 10.161 5.001 1.00 0.00 O ATOM 232 CB PRO A 15 -9.370 9.455 8.044 1.00 0.00 C ATOM 233 CG PRO A 15 -8.550 8.189 8.231 1.00 0.00 C ATOM 234 CD PRO A 15 -8.673 7.361 6.962 1.00 0.00 C ATOM 0 HA PRO A 15 -10.697 9.887 6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.815 10.333 8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.287 9.417 8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.506 8.436 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.910 7.625 9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.694 7.135 6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.164 6.408 7.157 1.00 0.00 H new ATOM 242 N ALA A 16 -9.014 11.813 6.131 1.00 0.00 N ATOM 243 CA ALA A 16 -8.250 12.879 5.506 1.00 0.00 C ATOM 244 C ALA A 16 -6.756 12.583 5.651 1.00 0.00 C ATOM 245 O ALA A 16 -6.333 11.975 6.633 1.00 0.00 O ATOM 246 CB ALA A 16 -8.641 14.220 6.130 1.00 0.00 C ATOM 0 H ALA A 16 -9.708 12.127 6.809 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.473 12.937 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.068 15.020 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.705 14.397 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.429 14.200 7.199 1.00 0.00 H new ATOM 251 N GLY A 17 -5.999 13.025 4.658 1.00 0.00 N ATOM 252 CA GLY A 17 -4.561 12.815 4.663 1.00 0.00 C ATOM 253 C GLY A 17 -4.187 11.564 3.864 1.00 0.00 C ATOM 254 O GLY A 17 -3.217 11.573 3.109 1.00 0.00 O ATOM 0 H GLY A 17 -6.354 13.528 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.061 13.685 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.208 12.714 5.689 1.00 0.00 H new ATOM 258 N LYS A 18 -4.978 10.519 4.059 1.00 0.00 N ATOM 259 CA LYS A 18 -4.742 9.264 3.366 1.00 0.00 C ATOM 260 C LYS A 18 -5.551 9.243 2.068 1.00 0.00 C ATOM 261 O LYS A 18 -6.725 8.874 2.069 1.00 0.00 O ATOM 262 CB LYS A 18 -5.033 8.079 4.290 1.00 0.00 C ATOM 263 CG LYS A 18 -4.570 8.372 5.719 1.00 0.00 C ATOM 264 CD LYS A 18 -4.349 7.076 6.500 1.00 0.00 C ATOM 265 CE LYS A 18 -4.731 7.251 7.972 1.00 0.00 C ATOM 266 NZ LYS A 18 -4.960 5.934 8.608 1.00 0.00 N ATOM 0 H LYS A 18 -5.782 10.516 4.686 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.692 9.174 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.102 7.865 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.528 7.189 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.645 8.948 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.314 8.985 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.943 6.276 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.304 6.776 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.939 7.783 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.631 7.861 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.218 6.071 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.731 5.440 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.092 5.365 8.550 1.00 0.00 H new ATOM 279 N ASN A 19 -4.892 9.644 0.991 1.00 0.00 N ATOM 280 CA ASN A 19 -5.535 9.676 -0.312 1.00 0.00 C ATOM 281 C ASN A 19 -4.903 8.613 -1.214 1.00 0.00 C ATOM 282 O ASN A 19 -5.209 8.543 -2.403 1.00 0.00 O ATOM 283 CB ASN A 19 -5.349 11.037 -0.984 1.00 0.00 C ATOM 284 CG ASN A 19 -6.392 12.041 -0.488 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.589 11.811 -0.545 1.00 0.00 O ATOM 286 ND2 ASN A 19 -5.873 13.163 0.001 1.00 0.00 N ATOM 0 H ASN A 19 -3.919 9.950 0.994 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.599 9.487 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.348 11.415 -0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.431 10.927 -2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.487 13.895 0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.861 13.291 0.019 1.00 0.00 H new ATOM 293 N LEU A 20 -4.035 7.813 -0.613 1.00 0.00 N ATOM 294 CA LEU A 20 -3.358 6.758 -1.347 1.00 0.00 C ATOM 295 C LEU A 20 -3.273 5.507 -0.471 1.00 0.00 C ATOM 296 O LEU A 20 -2.856 5.580 0.684 1.00 0.00 O ATOM 297 CB LEU A 20 -2.000 7.245 -1.857 1.00 0.00 C ATOM 298 CG LEU A 20 -2.033 8.419 -2.837 1.00 0.00 C ATOM 299 CD1 LEU A 20 -1.487 9.692 -2.187 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.293 8.074 -4.131 1.00 0.00 C ATOM 0 H LEU A 20 -3.785 7.874 0.374 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.927 6.487 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.393 7.532 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.494 6.409 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.072 8.613 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.522 10.511 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.094 9.946 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.456 9.527 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.332 8.926 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.253 7.838 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.766 7.212 -4.602 1.00 0.00 H new ATOM 310 N CYS A 21 -3.675 4.387 -1.054 1.00 0.00 N ATOM 311 CA CYS A 21 -3.650 3.121 -0.340 1.00 0.00 C ATOM 312 C CYS A 21 -2.250 2.519 -0.480 1.00 0.00 C ATOM 313 O CYS A 21 -1.646 2.585 -1.549 1.00 0.00 O ATOM 314 CB CYS A 21 -4.735 2.166 -0.843 1.00 0.00 C ATOM 315 SG CYS A 21 -6.231 2.986 -1.504 1.00 0.00 S ATOM 0 H CYS A 21 -4.020 4.330 -2.012 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.868 3.290 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.310 1.533 -1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.029 1.509 -0.024 1.00 0.00 H new ATOM 320 N TYR A 22 -1.775 1.945 0.616 1.00 0.00 N ATOM 321 CA TYR A 22 -0.458 1.331 0.629 1.00 0.00 C ATOM 322 C TYR A 22 -0.561 -0.182 0.828 1.00 0.00 C ATOM 323 O TYR A 22 -1.427 -0.658 1.560 1.00 0.00 O ATOM 324 CB TYR A 22 0.279 1.942 1.822 1.00 0.00 C ATOM 325 CG TYR A 22 -0.042 1.274 3.161 1.00 0.00 C ATOM 326 CD1 TYR A 22 -1.090 1.738 3.929 1.00 0.00 C ATOM 327 CD2 TYR A 22 0.718 0.209 3.600 1.00 0.00 C ATOM 328 CE1 TYR A 22 -1.393 1.109 5.189 1.00 0.00 C ATOM 329 CE2 TYR A 22 0.415 -0.420 4.860 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.625 0.062 5.592 1.00 0.00 C ATOM 331 OH TYR A 22 -0.910 -0.532 6.782 1.00 0.00 O ATOM 0 H TYR A 22 -2.279 1.892 1.501 1.00 0.00 H new ATOM 0 HA TYR A 22 0.057 1.506 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.352 1.878 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.029 3.001 1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.683 2.573 3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.539 -0.153 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.211 1.461 5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.000 -1.255 5.215 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.280 -1.266 6.940 1.00 0.00 H new ATOM 341 N LYS A 23 0.336 -0.896 0.164 1.00 0.00 N ATOM 342 CA LYS A 23 0.358 -2.346 0.259 1.00 0.00 C ATOM 343 C LYS A 23 1.767 -2.807 0.639 1.00 0.00 C ATOM 344 O LYS A 23 2.714 -2.608 -0.120 1.00 0.00 O ATOM 345 CB LYS A 23 -0.168 -2.976 -1.032 1.00 0.00 C ATOM 346 CG LYS A 23 -0.156 -4.503 -0.942 1.00 0.00 C ATOM 347 CD LYS A 23 -1.426 -5.098 -1.554 1.00 0.00 C ATOM 348 CE LYS A 23 -1.238 -5.371 -3.048 1.00 0.00 C ATOM 349 NZ LYS A 23 -1.543 -6.786 -3.358 1.00 0.00 N ATOM 0 H LYS A 23 1.053 -0.497 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.313 -2.686 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.183 -2.628 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.444 -2.653 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.720 -4.895 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.073 -4.809 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.682 -6.025 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.260 -4.412 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.889 -4.717 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.213 -5.141 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.411 -6.955 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.905 -7.405 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.528 -6.994 -3.098 1.00 0.00 H new ATOM 362 N MET A 24 1.860 -3.414 1.813 1.00 0.00 N ATOM 363 CA MET A 24 3.137 -3.905 2.302 1.00 0.00 C ATOM 364 C MET A 24 3.243 -5.422 2.132 1.00 0.00 C ATOM 365 O MET A 24 2.423 -6.169 2.664 1.00 0.00 O ATOM 366 CB MET A 24 3.289 -3.545 3.781 1.00 0.00 C ATOM 367 CG MET A 24 3.578 -2.053 3.956 1.00 0.00 C ATOM 368 SD MET A 24 4.506 -1.782 5.457 1.00 0.00 S ATOM 369 CE MET A 24 3.188 -1.881 6.657 1.00 0.00 C ATOM 0 H MET A 24 1.072 -3.577 2.440 1.00 0.00 H new ATOM 0 HA MET A 24 3.932 -3.437 1.721 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.378 -3.808 4.318 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.098 -4.129 4.220 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.139 -1.680 3.099 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.642 -1.495 3.991 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.609 -2.071 7.644 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.638 -0.940 6.672 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.511 -2.692 6.388 1.00 0.00 H new ATOM 378 N PHE A 25 4.260 -5.832 1.388 1.00 0.00 N ATOM 379 CA PHE A 25 4.484 -7.246 1.141 1.00 0.00 C ATOM 380 C PHE A 25 5.979 -7.554 1.030 1.00 0.00 C ATOM 381 O PHE A 25 6.803 -6.641 1.005 1.00 0.00 O ATOM 382 CB PHE A 25 3.807 -7.581 -0.189 1.00 0.00 C ATOM 383 CG PHE A 25 4.392 -6.834 -1.390 1.00 0.00 C ATOM 384 CD1 PHE A 25 3.949 -5.585 -1.696 1.00 0.00 C ATOM 385 CD2 PHE A 25 5.354 -7.420 -2.152 1.00 0.00 C ATOM 386 CE1 PHE A 25 4.492 -4.892 -2.810 1.00 0.00 C ATOM 387 CE2 PHE A 25 5.897 -6.728 -3.266 1.00 0.00 C ATOM 388 CZ PHE A 25 5.455 -5.478 -3.572 1.00 0.00 C ATOM 0 H PHE A 25 4.938 -5.210 0.948 1.00 0.00 H new ATOM 0 HA PHE A 25 4.079 -7.835 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.888 -8.653 -0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.745 -7.350 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.184 -5.120 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.705 -8.412 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.141 -3.900 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.661 -7.194 -3.871 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.868 -4.951 -4.419 1.00 0.00 H new ATOM 398 N MET A 26 6.282 -8.842 0.968 1.00 0.00 N ATOM 399 CA MET A 26 7.663 -9.281 0.861 1.00 0.00 C ATOM 400 C MET A 26 8.023 -9.608 -0.590 1.00 0.00 C ATOM 401 O MET A 26 7.164 -10.015 -1.370 1.00 0.00 O ATOM 402 CB MET A 26 7.874 -10.521 1.732 1.00 0.00 C ATOM 403 CG MET A 26 7.888 -10.152 3.216 1.00 0.00 C ATOM 404 SD MET A 26 6.677 -11.122 4.098 1.00 0.00 S ATOM 405 CE MET A 26 6.662 -10.256 5.659 1.00 0.00 C ATOM 0 H MET A 26 5.595 -9.596 0.990 1.00 0.00 H new ATOM 0 HA MET A 26 8.309 -8.473 1.203 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.081 -11.244 1.541 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.815 -11.002 1.464 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.880 -10.327 3.633 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.674 -9.090 3.337 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.966 -10.745 6.340 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.662 -10.269 6.092 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.349 -9.224 5.500 1.00 0.00 H new ATOM 414 N VAL A 27 9.296 -9.418 -0.908 1.00 0.00 N ATOM 415 CA VAL A 27 9.780 -9.688 -2.251 1.00 0.00 C ATOM 416 C VAL A 27 9.542 -11.161 -2.587 1.00 0.00 C ATOM 417 O VAL A 27 9.628 -11.558 -3.748 1.00 0.00 O ATOM 418 CB VAL A 27 11.249 -9.277 -2.370 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.155 -10.256 -1.620 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.667 -9.156 -3.836 1.00 0.00 C ATOM 0 H VAL A 27 10.006 -9.080 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 27 9.230 -9.095 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 27 11.361 -8.296 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.194 -9.941 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.881 -10.270 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.037 -11.255 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.715 -8.863 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.532 -10.116 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.052 -8.402 -4.329 1.00 0.00 H new ATOM 428 N ALA A 28 9.248 -11.932 -1.551 1.00 0.00 N ATOM 429 CA ALA A 28 8.997 -13.353 -1.722 1.00 0.00 C ATOM 430 C ALA A 28 8.228 -13.578 -3.025 1.00 0.00 C ATOM 431 O ALA A 28 8.523 -14.510 -3.771 1.00 0.00 O ATOM 432 CB ALA A 28 8.246 -13.890 -0.502 1.00 0.00 C ATOM 0 H ALA A 28 9.178 -11.599 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 28 9.936 -13.902 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.058 -14.956 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.847 -13.733 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.297 -13.364 -0.398 1.00 0.00 H new ATOM 437 N ALA A 29 7.258 -12.707 -3.260 1.00 0.00 N ATOM 438 CA ALA A 29 6.444 -12.798 -4.460 1.00 0.00 C ATOM 439 C ALA A 29 5.711 -11.473 -4.676 1.00 0.00 C ATOM 440 O ALA A 29 5.457 -10.738 -3.723 1.00 0.00 O ATOM 441 CB ALA A 29 5.484 -13.983 -4.337 1.00 0.00 C ATOM 0 H ALA A 29 7.017 -11.934 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 29 7.069 -12.975 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.873 -14.051 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.056 -14.903 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.838 -13.840 -3.471 1.00 0.00 H new ATOM 446 N PRO A 30 5.382 -11.202 -5.967 1.00 0.00 N ATOM 447 CA PRO A 30 4.683 -9.978 -6.321 1.00 0.00 C ATOM 448 C PRO A 30 3.207 -10.057 -5.925 1.00 0.00 C ATOM 449 O PRO A 30 2.490 -9.058 -5.985 1.00 0.00 O ATOM 450 CB PRO A 30 4.889 -9.825 -7.819 1.00 0.00 C ATOM 451 CG PRO A 30 5.296 -11.199 -8.326 1.00 0.00 C ATOM 452 CD PRO A 30 5.667 -12.049 -7.121 1.00 0.00 C ATOM 0 HA PRO A 30 5.065 -9.106 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.976 -9.484 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.660 -9.085 -8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.478 -11.659 -8.881 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.140 -11.119 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.083 -12.969 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.717 -12.339 -7.149 1.00 0.00 H new ATOM 460 N HIS A 31 2.796 -11.253 -5.530 1.00 0.00 N ATOM 461 CA HIS A 31 1.418 -11.474 -5.125 1.00 0.00 C ATOM 462 C HIS A 31 1.389 -12.245 -3.804 1.00 0.00 C ATOM 463 O HIS A 31 0.902 -13.373 -3.749 1.00 0.00 O ATOM 464 CB HIS A 31 0.631 -12.173 -6.236 1.00 0.00 C ATOM 465 CG HIS A 31 -0.857 -11.923 -6.185 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.552 -11.320 -7.219 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.775 -12.201 -5.215 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.829 -11.243 -6.876 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.965 -11.789 -5.634 1.00 0.00 N ATOM 0 H HIS A 31 3.393 -12.079 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 31 0.926 -10.516 -4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.012 -11.840 -7.202 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.811 -13.246 -6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.569 -12.676 -4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.623 -10.822 -7.475 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.838 -11.868 -5.112 1.00 0.00 H new ATOM 477 N VAL A 32 1.918 -11.604 -2.771 1.00 0.00 N ATOM 478 CA VAL A 32 1.959 -12.215 -1.453 1.00 0.00 C ATOM 479 C VAL A 32 2.055 -11.118 -0.391 1.00 0.00 C ATOM 480 O VAL A 32 3.114 -10.910 0.198 1.00 0.00 O ATOM 481 CB VAL A 32 3.108 -13.221 -1.378 1.00 0.00 C ATOM 482 CG1 VAL A 32 3.496 -13.505 0.074 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.752 -14.515 -2.113 1.00 0.00 C ATOM 0 H VAL A 32 2.321 -10.668 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 32 1.043 -12.774 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 32 3.972 -12.779 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.315 -14.224 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.812 -12.579 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.638 -13.915 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.586 -15.214 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.867 -14.960 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.549 -14.294 -3.161 1.00 0.00 H new ATOM 491 N PRO A 33 0.903 -10.428 -0.171 1.00 0.00 N ATOM 492 CA PRO A 33 0.848 -9.358 0.810 1.00 0.00 C ATOM 493 C PRO A 33 0.822 -9.919 2.233 1.00 0.00 C ATOM 494 O PRO A 33 0.473 -11.081 2.439 1.00 0.00 O ATOM 495 CB PRO A 33 -0.403 -8.568 0.461 1.00 0.00 C ATOM 496 CG PRO A 33 -1.249 -9.489 -0.405 1.00 0.00 C ATOM 497 CD PRO A 33 -0.371 -10.647 -0.850 1.00 0.00 C ATOM 0 HA PRO A 33 1.729 -8.717 0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.943 -8.273 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.150 -7.652 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.109 -9.856 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.637 -8.950 -1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.809 -11.606 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.246 -10.656 -1.933 1.00 0.00 H new ATOM 505 N VAL A 34 1.197 -9.069 3.177 1.00 0.00 N ATOM 506 CA VAL A 34 1.222 -9.466 4.575 1.00 0.00 C ATOM 507 C VAL A 34 0.328 -8.524 5.384 1.00 0.00 C ATOM 508 O VAL A 34 -0.432 -8.969 6.243 1.00 0.00 O ATOM 509 CB VAL A 34 2.664 -9.504 5.083 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.273 -8.101 5.112 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.743 -10.165 6.460 1.00 0.00 C ATOM 0 H VAL A 34 1.486 -8.107 3.002 1.00 0.00 H new ATOM 0 HA VAL A 34 0.824 -10.474 4.693 1.00 0.00 H new ATOM 0 HB VAL A 34 3.248 -10.108 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.299 -8.157 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.268 -7.681 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.687 -7.463 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.779 -10.179 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.138 -9.601 7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.369 -11.187 6.395 1.00 0.00 H new ATOM 519 N LYS A 35 0.449 -7.240 5.081 1.00 0.00 N ATOM 520 CA LYS A 35 -0.339 -6.231 5.769 1.00 0.00 C ATOM 521 C LYS A 35 -0.554 -5.036 4.839 1.00 0.00 C ATOM 522 O LYS A 35 0.350 -4.650 4.099 1.00 0.00 O ATOM 523 CB LYS A 35 0.312 -5.863 7.104 1.00 0.00 C ATOM 524 CG LYS A 35 0.352 -7.068 8.046 1.00 0.00 C ATOM 525 CD LYS A 35 0.933 -6.680 9.407 1.00 0.00 C ATOM 526 CE LYS A 35 0.018 -7.139 10.545 1.00 0.00 C ATOM 527 NZ LYS A 35 0.008 -6.140 11.637 1.00 0.00 N ATOM 0 H LYS A 35 1.081 -6.875 4.368 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.326 -6.622 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.325 -5.499 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.243 -5.050 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.654 -7.466 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.954 -7.861 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.920 -7.127 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.065 -5.599 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.995 -7.285 10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.358 -8.101 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.618 -6.467 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.973 -6.020 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.338 -5.230 11.272 1.00 0.00 H new ATOM 540 N ARG A 36 -1.754 -4.454 4.882 1.00 0.00 N ATOM 541 CA ARG A 36 -2.082 -3.314 4.049 1.00 0.00 C ATOM 542 C ARG A 36 -2.953 -2.339 4.829 1.00 0.00 C ATOM 543 O ARG A 36 -3.412 -2.654 5.925 1.00 0.00 O ATOM 544 CB ARG A 36 -2.801 -3.794 2.792 1.00 0.00 C ATOM 545 CG ARG A 36 -1.818 -4.547 1.900 1.00 0.00 C ATOM 546 CD ARG A 36 -2.328 -5.966 1.665 1.00 0.00 C ATOM 547 NE ARG A 36 -3.600 -5.955 0.943 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.240 -7.076 0.583 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.717 -8.272 0.884 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.403 -7.000 -0.079 1.00 0.00 N ATOM 0 H ARG A 36 -2.513 -4.761 5.491 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.168 -2.799 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.634 -4.443 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.220 -2.944 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.703 -4.028 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.834 -4.576 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.589 -6.532 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.453 -6.474 2.621 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.018 -5.056 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.832 -8.329 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.204 -9.125 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.801 -6.089 -0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.890 -7.853 -0.353 1.00 0.00 H new ATOM 564 N GLY A 37 -3.156 -1.171 4.237 1.00 0.00 N ATOM 565 CA GLY A 37 -3.969 -0.145 4.867 1.00 0.00 C ATOM 566 C GLY A 37 -3.931 1.156 4.061 1.00 0.00 C ATOM 567 O GLY A 37 -3.463 1.172 2.924 1.00 0.00 O ATOM 0 H GLY A 37 -2.772 -0.913 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.998 -0.494 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.609 0.039 5.879 1.00 0.00 H new ATOM 571 N CYS A 38 -4.431 2.214 4.683 1.00 0.00 N ATOM 572 CA CYS A 38 -4.460 3.516 4.038 1.00 0.00 C ATOM 573 C CYS A 38 -3.254 4.321 4.526 1.00 0.00 C ATOM 574 O CYS A 38 -2.745 4.081 5.620 1.00 0.00 O ATOM 575 CB CYS A 38 -5.778 4.247 4.300 1.00 0.00 C ATOM 576 SG CYS A 38 -7.259 3.436 3.593 1.00 0.00 S ATOM 0 H CYS A 38 -4.819 2.196 5.626 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.398 3.391 2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.914 4.346 5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.705 5.256 3.894 1.00 0.00 H new ATOM 581 N ILE A 39 -2.833 5.260 3.691 1.00 0.00 N ATOM 582 CA ILE A 39 -1.696 6.102 4.024 1.00 0.00 C ATOM 583 C ILE A 39 -1.712 7.347 3.135 1.00 0.00 C ATOM 584 O ILE A 39 -2.584 7.493 2.280 1.00 0.00 O ATOM 585 CB ILE A 39 -0.394 5.302 3.940 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.573 5.711 5.053 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.240 5.431 2.554 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.528 4.714 6.213 1.00 0.00 C ATOM 0 H ILE A 39 -3.259 5.456 2.785 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.765 6.446 5.056 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.630 4.248 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.587 5.767 4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.317 6.707 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.164 4.853 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.451 5.053 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.460 6.479 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.225 5.028 6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.481 4.678 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.809 3.724 5.853 1.00 0.00 H new ATOM 598 N ASP A 40 -0.743 8.241 3.341 1.00 0.00 N ATOM 599 CA ASP A 40 -0.650 9.461 2.564 1.00 0.00 C ATOM 600 C ASP A 40 0.587 9.414 1.678 1.00 0.00 C ATOM 601 O ASP A 40 0.516 9.734 0.494 1.00 0.00 O ATOM 602 CB ASP A 40 -0.595 10.659 3.507 1.00 0.00 C ATOM 603 CG ASP A 40 -0.450 11.958 2.727 1.00 0.00 C ATOM 604 OD1 ASP A 40 -0.010 12.948 3.350 1.00 0.00 O ATOM 605 OD2 ASP A 40 -0.783 11.937 1.522 1.00 0.00 O ATOM 0 H ASP A 40 -0.012 8.135 4.045 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.527 9.559 1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.501 10.693 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.243 10.547 4.195 1.00 0.00 H new ATOM 611 N VAL A 41 1.696 9.012 2.283 1.00 0.00 N ATOM 612 CA VAL A 41 2.951 8.920 1.558 1.00 0.00 C ATOM 613 C VAL A 41 3.484 7.488 1.649 1.00 0.00 C ATOM 614 O VAL A 41 3.175 6.766 2.596 1.00 0.00 O ATOM 615 CB VAL A 41 3.940 9.961 2.088 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.436 9.584 3.485 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.111 10.146 1.122 1.00 0.00 C ATOM 0 H VAL A 41 1.751 8.747 3.266 1.00 0.00 H new ATOM 0 HA VAL A 41 2.799 9.144 0.502 1.00 0.00 H new ATOM 0 HB VAL A 41 3.415 10.913 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.137 10.340 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.589 9.527 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.936 8.616 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.799 10.891 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.634 9.198 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.736 10.481 0.155 1.00 0.00 H new ATOM 625 N CYS A 42 4.276 7.121 0.652 1.00 0.00 N ATOM 626 CA CYS A 42 4.855 5.789 0.609 1.00 0.00 C ATOM 627 C CYS A 42 6.299 5.876 1.106 1.00 0.00 C ATOM 628 O CYS A 42 7.045 6.767 0.703 1.00 0.00 O ATOM 629 CB CYS A 42 4.770 5.181 -0.793 1.00 0.00 C ATOM 630 SG CYS A 42 4.072 3.491 -0.855 1.00 0.00 S ATOM 0 H CYS A 42 4.530 7.722 -0.132 1.00 0.00 H new ATOM 0 HA CYS A 42 4.288 5.122 1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.162 5.833 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.770 5.162 -1.227 1.00 0.00 H new ATOM 635 N PRO A 43 6.659 4.914 1.997 1.00 0.00 N ATOM 636 CA PRO A 43 8.001 4.873 2.554 1.00 0.00 C ATOM 637 C PRO A 43 9.005 4.347 1.526 1.00 0.00 C ATOM 638 O PRO A 43 8.628 3.988 0.412 1.00 0.00 O ATOM 639 CB PRO A 43 7.890 3.988 3.784 1.00 0.00 C ATOM 640 CG PRO A 43 6.606 3.193 3.611 1.00 0.00 C ATOM 641 CD PRO A 43 5.802 3.843 2.496 1.00 0.00 C ATOM 0 HA PRO A 43 8.375 5.861 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.751 3.325 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.859 4.587 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.830 2.155 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.034 3.185 4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.565 3.127 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.855 4.234 2.867 1.00 0.00 H new ATOM 649 N LYS A 44 10.264 4.317 1.938 1.00 0.00 N ATOM 650 CA LYS A 44 11.325 3.841 1.068 1.00 0.00 C ATOM 651 C LYS A 44 11.141 2.342 0.820 1.00 0.00 C ATOM 652 O LYS A 44 10.525 1.647 1.626 1.00 0.00 O ATOM 653 CB LYS A 44 12.695 4.205 1.644 1.00 0.00 C ATOM 654 CG LYS A 44 13.764 4.220 0.549 1.00 0.00 C ATOM 655 CD LYS A 44 15.165 4.345 1.152 1.00 0.00 C ATOM 656 CE LYS A 44 16.241 4.106 0.091 1.00 0.00 C ATOM 657 NZ LYS A 44 17.287 5.150 0.171 1.00 0.00 N ATOM 0 H LYS A 44 10.573 4.615 2.863 1.00 0.00 H new ATOM 0 HA LYS A 44 11.272 4.335 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.644 5.184 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.971 3.487 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.698 3.306 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.581 5.052 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.291 5.337 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.282 3.625 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.689 3.122 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.789 4.110 -0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.010 4.974 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.858 6.084 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.729 5.127 1.112 1.00 0.00 H new ATOM 670 N SER A 45 11.686 1.888 -0.299 1.00 0.00 N ATOM 671 CA SER A 45 11.590 0.485 -0.663 1.00 0.00 C ATOM 672 C SER A 45 12.944 -0.200 -0.469 1.00 0.00 C ATOM 673 O SER A 45 13.976 0.329 -0.879 1.00 0.00 O ATOM 674 CB SER A 45 11.115 0.322 -2.109 1.00 0.00 C ATOM 675 OG SER A 45 9.721 0.036 -2.184 1.00 0.00 O ATOM 0 H SER A 45 12.196 2.468 -0.966 1.00 0.00 H new ATOM 0 HA SER A 45 10.854 0.013 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.328 1.235 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.676 -0.481 -2.587 1.00 0.00 H new ATOM 0 HG SER A 45 9.424 0.098 -3.116 1.00 0.00 H new ATOM 681 N SER A 46 12.897 -1.367 0.156 1.00 0.00 N ATOM 682 CA SER A 46 14.107 -2.130 0.409 1.00 0.00 C ATOM 683 C SER A 46 14.135 -3.377 -0.478 1.00 0.00 C ATOM 684 O SER A 46 13.170 -3.662 -1.185 1.00 0.00 O ATOM 685 CB SER A 46 14.210 -2.526 1.884 1.00 0.00 C ATOM 686 OG SER A 46 13.420 -3.673 2.185 1.00 0.00 O ATOM 0 H SER A 46 12.039 -1.803 0.495 1.00 0.00 H new ATOM 0 HA SER A 46 14.964 -1.501 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.252 -2.728 2.133 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.889 -1.691 2.507 1.00 0.00 H new ATOM 0 HG SER A 46 12.544 -3.589 1.754 1.00 0.00 H new ATOM 692 N LEU A 47 15.252 -4.086 -0.412 1.00 0.00 N ATOM 693 CA LEU A 47 15.419 -5.295 -1.200 1.00 0.00 C ATOM 694 C LEU A 47 14.584 -6.419 -0.585 1.00 0.00 C ATOM 695 O LEU A 47 13.764 -7.033 -1.266 1.00 0.00 O ATOM 696 CB LEU A 47 16.903 -5.639 -1.346 1.00 0.00 C ATOM 697 CG LEU A 47 17.668 -4.868 -2.423 1.00 0.00 C ATOM 698 CD1 LEU A 47 19.177 -4.943 -2.183 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.285 -5.355 -3.822 1.00 0.00 C ATOM 0 H LEU A 47 16.051 -3.846 0.175 1.00 0.00 H new ATOM 0 HA LEU A 47 15.050 -5.143 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.392 -5.466 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.989 -6.704 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 47 17.384 -3.818 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.698 -4.387 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.413 -4.511 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.498 -5.985 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.843 -4.791 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.522 -6.415 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.217 -5.207 -3.979 1.00 0.00 H new ATOM 709 N LEU A 48 14.821 -6.655 0.697 1.00 0.00 N ATOM 710 CA LEU A 48 14.101 -7.695 1.413 1.00 0.00 C ATOM 711 C LEU A 48 12.597 -7.497 1.213 1.00 0.00 C ATOM 712 O LEU A 48 11.921 -8.365 0.661 1.00 0.00 O ATOM 713 CB LEU A 48 14.527 -7.728 2.882 1.00 0.00 C ATOM 714 CG LEU A 48 14.534 -9.106 3.547 1.00 0.00 C ATOM 715 CD1 LEU A 48 15.847 -9.347 4.294 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.317 -9.282 4.456 1.00 0.00 C ATOM 0 H LEU A 48 15.502 -6.144 1.259 1.00 0.00 H new ATOM 0 HA LEU A 48 14.350 -8.677 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.528 -7.304 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.861 -7.077 3.448 1.00 0.00 H new ATOM 0 HG LEU A 48 14.464 -9.863 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.826 -10.333 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.680 -9.293 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.972 -8.586 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.346 -10.270 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.331 -8.519 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.405 -9.183 3.867 1.00 0.00 H new ATOM 726 N VAL A 49 12.117 -6.351 1.673 1.00 0.00 N ATOM 727 CA VAL A 49 10.705 -6.029 1.551 1.00 0.00 C ATOM 728 C VAL A 49 10.540 -4.821 0.627 1.00 0.00 C ATOM 729 O VAL A 49 11.452 -4.007 0.494 1.00 0.00 O ATOM 730 CB VAL A 49 10.098 -5.808 2.938 1.00 0.00 C ATOM 731 CG1 VAL A 49 10.085 -7.108 3.745 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.840 -4.702 3.691 1.00 0.00 C ATOM 0 H VAL A 49 12.680 -5.634 2.131 1.00 0.00 H new ATOM 0 HA VAL A 49 10.161 -6.859 1.101 1.00 0.00 H new ATOM 0 HB VAL A 49 9.065 -5.487 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.649 -6.923 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.492 -7.856 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.105 -7.472 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.389 -4.565 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.887 -4.981 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.774 -3.771 3.128 1.00 0.00 H new ATOM 740 N LYS A 50 9.369 -4.744 0.011 1.00 0.00 N ATOM 741 CA LYS A 50 9.073 -3.649 -0.898 1.00 0.00 C ATOM 742 C LYS A 50 7.621 -3.209 -0.702 1.00 0.00 C ATOM 743 O LYS A 50 6.794 -3.981 -0.220 1.00 0.00 O ATOM 744 CB LYS A 50 9.407 -4.043 -2.338 1.00 0.00 C ATOM 745 CG LYS A 50 10.432 -3.083 -2.945 1.00 0.00 C ATOM 746 CD LYS A 50 10.648 -3.379 -4.431 1.00 0.00 C ATOM 747 CE LYS A 50 11.800 -4.366 -4.630 1.00 0.00 C ATOM 748 NZ LYS A 50 11.405 -5.441 -5.568 1.00 0.00 N ATOM 0 H LYS A 50 8.615 -5.421 0.123 1.00 0.00 H new ATOM 0 HA LYS A 50 9.701 -2.787 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.799 -5.060 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.498 -4.039 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.091 -2.055 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.379 -3.171 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.734 -3.789 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.862 -2.452 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.674 -3.841 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.086 -4.799 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.198 -6.102 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.585 -5.952 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.154 -5.025 -6.487 1.00 0.00 H new ATOM 761 N TYR A 51 7.355 -1.969 -1.086 1.00 0.00 N ATOM 762 CA TYR A 51 6.017 -1.417 -0.959 1.00 0.00 C ATOM 763 C TYR A 51 5.572 -0.752 -2.263 1.00 0.00 C ATOM 764 O TYR A 51 6.404 -0.315 -3.057 1.00 0.00 O ATOM 765 CB TYR A 51 6.102 -0.354 0.138 1.00 0.00 C ATOM 766 CG TYR A 51 6.898 -0.792 1.369 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.704 -2.049 1.904 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.811 0.069 1.943 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.454 -2.462 3.063 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.560 -0.343 3.102 1.00 0.00 C ATOM 771 CZ TYR A 51 8.344 -1.588 3.604 1.00 0.00 C ATOM 772 OH TYR A 51 9.052 -1.978 4.698 1.00 0.00 O ATOM 0 H TYR A 51 8.043 -1.331 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 51 5.298 -2.203 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.559 0.545 -0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.092 -0.085 0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.990 -2.723 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.964 1.052 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.312 -3.443 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.277 0.321 3.562 1.00 0.00 H new ATOM 0 HH TYR A 51 9.650 -1.253 4.976 1.00 0.00 H new ATOM 782 N VAL A 52 4.261 -0.697 -2.444 1.00 0.00 N ATOM 783 CA VAL A 52 3.695 -0.092 -3.639 1.00 0.00 C ATOM 784 C VAL A 52 2.435 0.689 -3.262 1.00 0.00 C ATOM 785 O VAL A 52 1.509 0.135 -2.672 1.00 0.00 O ATOM 786 CB VAL A 52 3.437 -1.167 -4.697 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.675 -0.589 -5.891 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.746 -1.820 -5.146 1.00 0.00 C ATOM 0 H VAL A 52 3.574 -1.061 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 52 4.398 0.616 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 52 2.815 -1.940 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.505 -1.374 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.717 -0.193 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.260 0.212 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.534 -2.580 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.404 -1.062 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.234 -2.284 -4.289 1.00 0.00 H new ATOM 796 N CYS A 53 2.441 1.966 -3.617 1.00 0.00 N ATOM 797 CA CYS A 53 1.310 2.830 -3.324 1.00 0.00 C ATOM 798 C CYS A 53 0.561 3.101 -4.630 1.00 0.00 C ATOM 799 O CYS A 53 1.121 2.947 -5.714 1.00 0.00 O ATOM 800 CB CYS A 53 1.750 4.125 -2.639 1.00 0.00 C ATOM 801 SG CYS A 53 2.028 3.983 -0.835 1.00 0.00 S ATOM 0 H CYS A 53 3.211 2.423 -4.105 1.00 0.00 H new ATOM 0 HA CYS A 53 0.642 2.333 -2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.670 4.473 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.993 4.889 -2.817 1.00 0.00 H new ATOM 806 N CYS A 54 -0.694 3.501 -4.483 1.00 0.00 N ATOM 807 CA CYS A 54 -1.525 3.795 -5.638 1.00 0.00 C ATOM 808 C CYS A 54 -2.748 4.581 -5.161 1.00 0.00 C ATOM 809 O CYS A 54 -3.269 4.327 -4.077 1.00 0.00 O ATOM 810 CB CYS A 54 -1.921 2.523 -6.389 1.00 0.00 C ATOM 811 SG CYS A 54 -1.909 0.999 -5.376 1.00 0.00 S ATOM 0 H CYS A 54 -1.155 3.628 -3.582 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.962 4.398 -6.351 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.920 2.659 -6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.242 2.388 -7.231 1.00 0.00 H new ATOM 816 N ASN A 55 -3.171 5.520 -5.996 1.00 0.00 N ATOM 817 CA ASN A 55 -4.323 6.344 -5.673 1.00 0.00 C ATOM 818 C ASN A 55 -5.533 5.857 -6.472 1.00 0.00 C ATOM 819 O ASN A 55 -6.004 6.547 -7.376 1.00 0.00 O ATOM 820 CB ASN A 55 -4.072 7.808 -6.040 1.00 0.00 C ATOM 821 CG ASN A 55 -3.502 7.930 -7.454 1.00 0.00 C ATOM 822 OD1 ASN A 55 -2.457 7.391 -7.778 1.00 0.00 O ATOM 823 ND2 ASN A 55 -4.245 8.666 -8.276 1.00 0.00 N ATOM 0 H ASN A 55 -2.736 5.728 -6.895 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.504 6.266 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.004 8.369 -5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.379 8.252 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.950 8.807 -9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.110 9.089 -7.940 1.00 0.00 H new ATOM 830 N THR A 56 -6.002 4.672 -6.112 1.00 0.00 N ATOM 831 CA THR A 56 -7.149 4.085 -6.784 1.00 0.00 C ATOM 832 C THR A 56 -7.984 3.266 -5.797 1.00 0.00 C ATOM 833 O THR A 56 -7.454 2.731 -4.824 1.00 0.00 O ATOM 834 CB THR A 56 -6.633 3.266 -7.969 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.722 2.340 -7.382 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.764 4.093 -8.918 1.00 0.00 C ATOM 0 H THR A 56 -5.609 4.102 -5.363 1.00 0.00 H new ATOM 0 HA THR A 56 -7.819 4.854 -7.168 1.00 0.00 H new ATOM 0 HB THR A 56 -7.478 2.852 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.342 1.768 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.424 3.464 -9.741 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.347 4.925 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.901 4.480 -8.377 1.00 0.00 H new ATOM 843 N ASP A 57 -9.290 3.172 -6.054 1.00 0.00 N ATOM 844 CA ASP A 57 -10.187 2.426 -5.194 1.00 0.00 C ATOM 845 C ASP A 57 -9.819 0.949 -5.225 1.00 0.00 C ATOM 846 O ASP A 57 -9.849 0.322 -6.281 1.00 0.00 O ATOM 847 CB ASP A 57 -11.626 2.635 -5.658 1.00 0.00 C ATOM 848 CG ASP A 57 -12.314 3.709 -4.827 1.00 0.00 C ATOM 849 OD1 ASP A 57 -11.731 4.081 -3.786 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.409 4.138 -5.249 1.00 0.00 O ATOM 0 H ASP A 57 -9.744 3.608 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.095 2.782 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.635 2.922 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.178 1.698 -5.578 1.00 0.00 H new ATOM 856 N LYS A 58 -9.479 0.431 -4.053 1.00 0.00 N ATOM 857 CA LYS A 58 -9.105 -0.967 -3.934 1.00 0.00 C ATOM 858 C LYS A 58 -7.833 -1.221 -4.746 1.00 0.00 C ATOM 859 O LYS A 58 -7.794 -2.124 -5.580 1.00 0.00 O ATOM 860 CB LYS A 58 -10.275 -1.871 -4.327 1.00 0.00 C ATOM 861 CG LYS A 58 -11.124 -2.231 -3.106 1.00 0.00 C ATOM 862 CD LYS A 58 -12.294 -1.258 -2.946 1.00 0.00 C ATOM 863 CE LYS A 58 -13.492 -1.945 -2.287 1.00 0.00 C ATOM 864 NZ LYS A 58 -14.278 -2.693 -3.294 1.00 0.00 N ATOM 0 H LYS A 58 -9.455 0.955 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.877 -1.213 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.894 -1.368 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.896 -2.781 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.503 -3.248 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.505 -2.211 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.982 -0.405 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.585 -0.869 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.146 -2.625 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.124 -1.201 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.087 -3.153 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.624 -2.036 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.676 -3.416 -3.737 1.00 0.00 H new ATOM 877 N CYS A 59 -6.823 -0.408 -4.473 1.00 0.00 N ATOM 878 CA CYS A 59 -5.553 -0.532 -5.167 1.00 0.00 C ATOM 879 C CYS A 59 -4.670 -1.505 -4.382 1.00 0.00 C ATOM 880 O CYS A 59 -4.077 -2.415 -4.960 1.00 0.00 O ATOM 881 CB CYS A 59 -4.876 0.827 -5.357 1.00 0.00 C ATOM 882 SG CYS A 59 -3.569 1.211 -4.136 1.00 0.00 S ATOM 0 H CYS A 59 -6.859 0.340 -3.780 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.721 -0.923 -6.170 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.442 0.864 -6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.637 1.606 -5.310 1.00 0.00 H new ATOM 887 N ASN A 60 -4.610 -1.279 -3.078 1.00 0.00 N ATOM 888 CA ASN A 60 -3.809 -2.123 -2.208 1.00 0.00 C ATOM 889 C ASN A 60 -4.596 -3.391 -1.870 1.00 0.00 C ATOM 890 O ASN A 60 -4.941 -4.168 -2.760 1.00 0.00 O ATOM 891 CB ASN A 60 -3.479 -1.408 -0.897 1.00 0.00 C ATOM 892 CG ASN A 60 -4.693 -1.382 0.034 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.831 -1.516 -0.384 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.387 -1.202 1.316 1.00 0.00 N ATOM 0 H ASN A 60 -5.103 -0.523 -2.603 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.883 -2.363 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.648 -1.912 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.155 -0.389 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.127 -1.169 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.412 -1.097 1.598 1.00 0.00 H new