USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 ASN : amide:sc= -1.91! C(o=-1.9!,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 149:sc= -9.39! (180deg=-13.1!) USER MOD Single : A 1 MET N :NH3+ -99:sc= -1.18! (180deg=-4.17!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.0223 (180deg=-0.689) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= -0.4 (180deg=-2.09!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 0.879 (180deg=0.582) USER MOD Single : A 25 TYR OH : rot 36:sc= -3! USER MOD Single : A 27 ASN : amide:sc= -3.13! C(o=-3.1!,f=-7.6!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0968 F(o=-1.8!,f=-0.097) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.299) USER MOD Single : A 33 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.4) USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.86! USER MOD Single : A 43 ASN : amide:sc= -4.84! C(o=-4.8!,f=-9.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -2.75! C(o=-3.7!,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= -0.169 (180deg=-0.545) USER MOD Single : A 55 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.992 8.003 -2.962 1.00 0.00 N ATOM 2 CA MET A 1 -7.902 7.245 -2.284 1.00 0.00 C ATOM 3 C MET A 1 -7.124 6.420 -3.311 1.00 0.00 C ATOM 4 O MET A 1 -7.349 5.234 -3.449 1.00 0.00 O ATOM 5 CB MET A 1 -8.618 6.314 -1.293 1.00 0.00 C ATOM 6 CG MET A 1 -7.625 5.793 -0.253 1.00 0.00 C ATOM 7 SD MET A 1 -7.519 6.949 1.134 1.00 0.00 S ATOM 8 CE MET A 1 -6.629 5.843 2.258 1.00 0.00 C ATOM 0 H1 MET A 1 -8.684 8.983 -3.125 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.213 7.553 -3.873 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.841 8.002 -2.361 1.00 0.00 H new ATOM 0 HA MET A 1 -7.190 7.903 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.428 6.850 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.069 5.478 -1.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.940 4.812 0.103 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.642 5.666 -0.708 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.987 6.431 2.914 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.345 5.281 2.858 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.018 5.150 1.679 1.00 0.00 H new ATOM 20 N LYS A 2 -6.195 7.014 -4.024 1.00 0.00 N ATOM 21 CA LYS A 2 -5.423 6.209 -5.009 1.00 0.00 C ATOM 22 C LYS A 2 -4.947 4.963 -4.274 1.00 0.00 C ATOM 23 O LYS A 2 -4.853 4.972 -3.064 1.00 0.00 O ATOM 24 CB LYS A 2 -4.254 7.092 -5.452 1.00 0.00 C ATOM 25 CG LYS A 2 -4.613 7.789 -6.767 1.00 0.00 C ATOM 26 CD LYS A 2 -3.768 9.053 -6.924 1.00 0.00 C ATOM 27 CE LYS A 2 -3.990 9.639 -8.321 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.791 10.482 -8.584 1.00 0.00 N ATOM 0 H LYS A 2 -5.946 8.001 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.994 5.902 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.032 7.833 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.356 6.488 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.439 7.116 -7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.673 8.044 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.041 9.784 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.713 8.820 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.089 8.851 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.904 10.231 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.872 10.917 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.726 11.228 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.936 9.891 -8.549 1.00 0.00 H new ATOM 42 N VAL A 3 -4.739 3.861 -4.933 1.00 0.00 N ATOM 43 CA VAL A 3 -4.394 2.668 -4.160 1.00 0.00 C ATOM 44 C VAL A 3 -3.222 1.868 -4.702 1.00 0.00 C ATOM 45 O VAL A 3 -3.140 1.548 -5.870 1.00 0.00 O ATOM 46 CB VAL A 3 -5.690 1.901 -4.248 1.00 0.00 C ATOM 47 CG1 VAL A 3 -5.456 0.420 -4.023 1.00 0.00 C ATOM 48 CG2 VAL A 3 -6.615 2.469 -3.198 1.00 0.00 C ATOM 0 H VAL A 3 -4.793 3.746 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.049 2.902 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.131 2.002 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.405 -0.113 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.771 0.040 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.024 0.266 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.568 1.940 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.164 2.349 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.782 3.528 -3.394 1.00 0.00 H new ATOM 58 N ILE A 4 -2.346 1.506 -3.807 1.00 0.00 N ATOM 59 CA ILE A 4 -1.185 0.690 -4.145 1.00 0.00 C ATOM 60 C ILE A 4 -1.482 -0.763 -3.740 1.00 0.00 C ATOM 61 O ILE A 4 -1.160 -1.190 -2.649 1.00 0.00 O ATOM 62 CB ILE A 4 -0.079 1.303 -3.276 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.641 2.398 -4.091 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.883 0.216 -2.802 1.00 0.00 C ATOM 65 CD1 ILE A 4 2.142 2.109 -4.245 1.00 0.00 C ATOM 0 H ILE A 4 -2.405 1.761 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.918 0.676 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.507 1.760 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.184 2.475 -5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.506 3.362 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.663 0.664 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.337 -0.523 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.337 -0.270 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.608 2.905 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.606 2.059 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.278 1.158 -4.759 1.00 0.00 H new ATOM 77 N PHE A 5 -2.079 -1.548 -4.588 1.00 0.00 N ATOM 78 CA PHE A 5 -2.310 -2.953 -4.163 1.00 0.00 C ATOM 79 C PHE A 5 -0.942 -3.553 -3.905 1.00 0.00 C ATOM 80 O PHE A 5 -0.108 -3.557 -4.773 1.00 0.00 O ATOM 81 CB PHE A 5 -2.940 -3.689 -5.329 1.00 0.00 C ATOM 82 CG PHE A 5 -4.453 -3.623 -5.287 1.00 0.00 C ATOM 83 CD1 PHE A 5 -5.134 -2.522 -5.825 1.00 0.00 C ATOM 84 CD2 PHE A 5 -5.178 -4.698 -4.753 1.00 0.00 C ATOM 85 CE1 PHE A 5 -6.533 -2.498 -5.817 1.00 0.00 C ATOM 86 CE2 PHE A 5 -6.574 -4.675 -4.757 1.00 0.00 C ATOM 87 CZ PHE A 5 -7.251 -3.575 -5.289 1.00 0.00 C ATOM 0 H PHE A 5 -2.406 -1.293 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.949 -3.017 -3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.584 -3.259 -6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.621 -4.731 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.580 -1.695 -6.244 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.655 -5.546 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.059 -1.645 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.130 -5.507 -4.349 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.331 -3.557 -5.292 1.00 0.00 H new ATOM 97 N LEU A 6 -0.695 -4.050 -2.747 1.00 0.00 N ATOM 98 CA LEU A 6 0.649 -4.628 -2.480 1.00 0.00 C ATOM 99 C LEU A 6 0.732 -6.019 -3.095 1.00 0.00 C ATOM 100 O LEU A 6 1.795 -6.490 -3.445 1.00 0.00 O ATOM 101 CB LEU A 6 0.770 -4.686 -0.956 1.00 0.00 C ATOM 102 CG LEU A 6 -0.355 -5.543 -0.377 1.00 0.00 C ATOM 103 CD1 LEU A 6 0.237 -6.834 0.188 1.00 0.00 C ATOM 104 CD2 LEU A 6 -1.060 -4.768 0.743 1.00 0.00 C ATOM 0 H LEU A 6 -1.354 -4.087 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 6 1.457 -4.038 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.737 -5.102 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.723 -3.680 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.075 -5.783 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.561 -7.449 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.741 -7.382 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.954 -6.593 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.863 -5.377 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.342 -4.530 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.476 -3.845 0.340 1.00 0.00 H new ATOM 116 N LYS A 7 -0.389 -6.663 -3.262 1.00 0.00 N ATOM 117 CA LYS A 7 -0.385 -8.016 -3.884 1.00 0.00 C ATOM 118 C LYS A 7 -1.314 -8.044 -5.089 1.00 0.00 C ATOM 119 O LYS A 7 -2.058 -7.115 -5.337 1.00 0.00 O ATOM 120 CB LYS A 7 -0.896 -8.964 -2.803 1.00 0.00 C ATOM 121 CG LYS A 7 0.284 -9.504 -2.006 1.00 0.00 C ATOM 122 CD LYS A 7 -0.197 -9.948 -0.621 1.00 0.00 C ATOM 123 CE LYS A 7 1.007 -10.189 0.292 1.00 0.00 C ATOM 124 NZ LYS A 7 1.806 -11.254 -0.380 1.00 0.00 N ATOM 0 H LYS A 7 -1.308 -6.311 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 7 0.608 -8.298 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.587 -8.441 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.450 -9.786 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.738 -10.344 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.052 -8.737 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.846 -9.186 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.789 -10.859 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.593 -9.279 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.690 -10.504 1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.398 -11.740 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.164 -11.940 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.414 -10.825 -1.107 1.00 0.00 H new ATOM 138 N ASP A 8 -1.284 -9.107 -5.834 1.00 0.00 N ATOM 139 CA ASP A 8 -2.178 -9.197 -7.021 1.00 0.00 C ATOM 140 C ASP A 8 -3.527 -9.787 -6.604 1.00 0.00 C ATOM 141 O ASP A 8 -3.593 -10.703 -5.805 1.00 0.00 O ATOM 142 CB ASP A 8 -1.459 -10.122 -8.004 1.00 0.00 C ATOM 143 CG ASP A 8 -1.193 -11.476 -7.343 1.00 0.00 C ATOM 144 OD1 ASP A 8 -0.511 -11.496 -6.334 1.00 0.00 O ATOM 145 OD2 ASP A 8 -1.675 -12.471 -7.862 1.00 0.00 O ATOM 0 H ASP A 8 -0.683 -9.916 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.376 -8.223 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.065 -10.257 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.519 -9.671 -8.321 1.00 0.00 H new ATOM 150 N VAL A 9 -4.602 -9.272 -7.131 1.00 0.00 N ATOM 151 CA VAL A 9 -5.942 -9.812 -6.752 1.00 0.00 C ATOM 152 C VAL A 9 -6.413 -10.819 -7.805 1.00 0.00 C ATOM 153 O VAL A 9 -5.618 -11.414 -8.506 1.00 0.00 O ATOM 154 CB VAL A 9 -6.898 -8.608 -6.700 1.00 0.00 C ATOM 155 CG1 VAL A 9 -8.022 -8.910 -5.706 1.00 0.00 C ATOM 156 CG2 VAL A 9 -6.159 -7.337 -6.246 1.00 0.00 C ATOM 0 H VAL A 9 -4.614 -8.505 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.908 -10.327 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.301 -8.439 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.706 -8.062 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.565 -9.798 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.597 -9.085 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.857 -6.501 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.741 -7.495 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.354 -7.114 -6.947 1.00 0.00 H new ATOM 166 N LYS A 10 -7.699 -11.017 -7.922 1.00 0.00 N ATOM 167 CA LYS A 10 -8.215 -11.986 -8.932 1.00 0.00 C ATOM 168 C LYS A 10 -8.295 -11.318 -10.306 1.00 0.00 C ATOM 169 O LYS A 10 -9.363 -11.035 -10.807 1.00 0.00 O ATOM 170 CB LYS A 10 -9.613 -12.364 -8.442 1.00 0.00 C ATOM 171 CG LYS A 10 -9.515 -12.990 -7.052 1.00 0.00 C ATOM 172 CD LYS A 10 -10.920 -13.261 -6.512 1.00 0.00 C ATOM 173 CE LYS A 10 -11.731 -11.964 -6.519 1.00 0.00 C ATOM 174 NZ LYS A 10 -12.394 -11.913 -5.184 1.00 0.00 N ATOM 0 H LYS A 10 -8.413 -10.551 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.570 -12.858 -9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.250 -11.480 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.076 -13.065 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.947 -13.919 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.978 -12.322 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.416 -14.015 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.861 -13.659 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.088 -11.098 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.466 -11.963 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.969 -11.049 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.005 -12.746 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.670 -11.908 -4.437 1.00 0.00 H new ATOM 188 N GLY A 11 -7.174 -11.059 -10.917 1.00 0.00 N ATOM 189 CA GLY A 11 -7.196 -10.407 -12.255 1.00 0.00 C ATOM 190 C GLY A 11 -7.722 -8.980 -12.111 1.00 0.00 C ATOM 191 O GLY A 11 -8.139 -8.360 -13.070 1.00 0.00 O ATOM 0 H GLY A 11 -6.246 -11.270 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.194 -10.396 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.829 -10.973 -12.938 1.00 0.00 H new ATOM 195 N LYS A 12 -7.710 -8.452 -10.917 1.00 0.00 N ATOM 196 CA LYS A 12 -8.213 -7.064 -10.712 1.00 0.00 C ATOM 197 C LYS A 12 -7.075 -6.137 -10.279 1.00 0.00 C ATOM 198 O LYS A 12 -7.071 -4.961 -10.585 1.00 0.00 O ATOM 199 CB LYS A 12 -9.251 -7.181 -9.595 1.00 0.00 C ATOM 200 CG LYS A 12 -10.597 -7.609 -10.184 1.00 0.00 C ATOM 201 CD LYS A 12 -11.605 -6.466 -10.029 1.00 0.00 C ATOM 202 CE LYS A 12 -12.606 -6.499 -11.189 1.00 0.00 C ATOM 203 NZ LYS A 12 -11.783 -6.338 -12.425 1.00 0.00 N ATOM 0 H LYS A 12 -7.374 -8.921 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.633 -6.644 -11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.920 -7.908 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.355 -6.226 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.481 -7.866 -11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.962 -8.502 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.131 -6.559 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.084 -5.509 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.159 -7.438 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.340 -5.698 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.308 -5.770 -13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.891 -5.858 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.576 -7.274 -12.829 1.00 0.00 H new ATOM 217 N GLY A 13 -6.112 -6.650 -9.564 1.00 0.00 N ATOM 218 CA GLY A 13 -4.986 -5.783 -9.111 1.00 0.00 C ATOM 219 C GLY A 13 -3.658 -6.542 -9.239 1.00 0.00 C ATOM 220 O GLY A 13 -3.634 -7.716 -9.546 1.00 0.00 O ATOM 0 H GLY A 13 -6.055 -7.626 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.953 -4.872 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.143 -5.479 -8.076 1.00 0.00 H new ATOM 224 N LYS A 14 -2.551 -5.878 -9.010 1.00 0.00 N ATOM 225 CA LYS A 14 -1.234 -6.563 -9.123 1.00 0.00 C ATOM 226 C LYS A 14 -0.274 -6.050 -8.046 1.00 0.00 C ATOM 227 O LYS A 14 -0.616 -5.209 -7.237 1.00 0.00 O ATOM 228 CB LYS A 14 -0.717 -6.202 -10.519 1.00 0.00 C ATOM 229 CG LYS A 14 -1.458 -7.035 -11.566 1.00 0.00 C ATOM 230 CD LYS A 14 -0.520 -7.340 -12.736 1.00 0.00 C ATOM 231 CE LYS A 14 0.270 -8.619 -12.440 1.00 0.00 C ATOM 232 NZ LYS A 14 0.468 -9.270 -13.766 1.00 0.00 N ATOM 0 H LYS A 14 -2.507 -4.893 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.317 -7.641 -8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.867 -5.140 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.355 -6.389 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.815 -7.964 -11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.335 -6.494 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.095 -7.460 -13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.164 -6.506 -12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.225 -8.392 -11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.277 -9.271 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.003 -10.154 -13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.458 -9.482 -14.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.997 -8.630 -14.392 1.00 0.00 H new ATOM 246 N LYS A 15 0.924 -6.561 -8.029 1.00 0.00 N ATOM 247 CA LYS A 15 1.922 -6.128 -7.008 1.00 0.00 C ATOM 248 C LYS A 15 1.998 -4.595 -6.901 1.00 0.00 C ATOM 249 O LYS A 15 2.057 -3.895 -7.892 1.00 0.00 O ATOM 250 CB LYS A 15 3.253 -6.709 -7.500 1.00 0.00 C ATOM 251 CG LYS A 15 3.928 -5.748 -8.493 1.00 0.00 C ATOM 252 CD LYS A 15 3.021 -5.519 -9.711 1.00 0.00 C ATOM 253 CE LYS A 15 3.513 -4.291 -10.488 1.00 0.00 C ATOM 254 NZ LYS A 15 2.481 -3.245 -10.247 1.00 0.00 N ATOM 0 H LYS A 15 1.259 -7.267 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 15 1.657 -6.477 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.914 -6.888 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.081 -7.673 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.139 -4.797 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.885 -6.159 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.029 -6.398 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.991 -5.370 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.493 -3.968 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.612 -4.510 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.869 -2.312 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.647 -3.438 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.206 -3.254 -9.244 1.00 0.00 H new ATOM 268 N GLY A 16 2.017 -4.093 -5.691 1.00 0.00 N ATOM 269 CA GLY A 16 2.103 -2.610 -5.454 1.00 0.00 C ATOM 270 C GLY A 16 1.483 -1.814 -6.610 1.00 0.00 C ATOM 271 O GLY A 16 1.981 -0.769 -6.967 1.00 0.00 O ATOM 0 H GLY A 16 1.976 -4.654 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.592 -2.360 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.147 -2.321 -5.332 1.00 0.00 H new ATOM 275 N GLU A 17 0.399 -2.270 -7.192 1.00 0.00 N ATOM 276 CA GLU A 17 -0.213 -1.480 -8.307 1.00 0.00 C ATOM 277 C GLU A 17 -0.778 -0.175 -7.741 1.00 0.00 C ATOM 278 O GLU A 17 -1.562 -0.181 -6.819 1.00 0.00 O ATOM 279 CB GLU A 17 -1.313 -2.372 -8.913 1.00 0.00 C ATOM 280 CG GLU A 17 -2.713 -1.892 -8.500 1.00 0.00 C ATOM 281 CD GLU A 17 -3.751 -2.940 -8.887 1.00 0.00 C ATOM 282 OE1 GLU A 17 -4.044 -3.051 -10.067 1.00 0.00 O ATOM 283 OE2 GLU A 17 -4.233 -3.617 -7.996 1.00 0.00 O ATOM 0 H GLU A 17 -0.080 -3.137 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 17 0.508 -1.208 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.231 -2.367 -10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.169 -3.402 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.745 -1.715 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.941 -0.944 -8.986 1.00 0.00 H new ATOM 290 N ILE A 18 -0.374 0.940 -8.272 1.00 0.00 N ATOM 291 CA ILE A 18 -0.879 2.236 -7.727 1.00 0.00 C ATOM 292 C ILE A 18 -1.811 2.935 -8.709 1.00 0.00 C ATOM 293 O ILE A 18 -1.444 3.291 -9.811 1.00 0.00 O ATOM 294 CB ILE A 18 0.352 3.109 -7.525 1.00 0.00 C ATOM 295 CG1 ILE A 18 1.527 2.270 -7.015 1.00 0.00 C ATOM 296 CG2 ILE A 18 0.018 4.209 -6.522 1.00 0.00 C ATOM 297 CD1 ILE A 18 2.304 1.714 -8.213 1.00 0.00 C ATOM 0 H ILE A 18 0.278 1.016 -9.053 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.440 2.064 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 18 0.641 3.553 -8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.182 2.880 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.163 1.454 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.893 4.841 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.804 4.814 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.275 3.760 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.142 1.115 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.644 1.091 -8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.679 2.539 -8.818 1.00 0.00 H new ATOM 309 N LYS A 19 -3.001 3.159 -8.277 1.00 0.00 N ATOM 310 CA LYS A 19 -4.007 3.870 -9.100 1.00 0.00 C ATOM 311 C LYS A 19 -5.081 4.341 -8.132 1.00 0.00 C ATOM 312 O LYS A 19 -4.783 4.943 -7.127 1.00 0.00 O ATOM 313 CB LYS A 19 -4.541 2.821 -10.078 1.00 0.00 C ATOM 314 CG LYS A 19 -5.369 3.511 -11.163 1.00 0.00 C ATOM 315 CD LYS A 19 -6.582 2.647 -11.508 1.00 0.00 C ATOM 316 CE LYS A 19 -7.390 3.328 -12.616 1.00 0.00 C ATOM 317 NZ LYS A 19 -8.786 2.829 -12.449 1.00 0.00 N ATOM 0 H LYS A 19 -3.336 2.872 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.629 4.729 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.713 2.274 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.153 2.091 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.695 4.492 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.760 3.672 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.258 1.659 -11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.204 2.504 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.347 4.413 -12.524 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.997 3.076 -13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.396 3.255 -13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.799 1.794 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.137 3.090 -11.506 1.00 0.00 H new ATOM 331 N ASN A 20 -6.308 4.010 -8.378 1.00 0.00 N ATOM 332 CA ASN A 20 -7.377 4.355 -7.416 1.00 0.00 C ATOM 333 C ASN A 20 -8.470 3.335 -7.549 1.00 0.00 C ATOM 334 O ASN A 20 -9.099 3.188 -8.578 1.00 0.00 O ATOM 335 CB ASN A 20 -7.896 5.761 -7.729 1.00 0.00 C ATOM 336 CG ASN A 20 -8.783 5.724 -8.980 1.00 0.00 C ATOM 337 OD1 ASN A 20 -8.494 5.013 -9.922 1.00 0.00 O ATOM 338 ND2 ASN A 20 -9.859 6.463 -9.026 1.00 0.00 N ATOM 0 H ASN A 20 -6.619 3.511 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.003 4.349 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.463 6.146 -6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.058 6.441 -7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.456 6.443 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.102 7.060 -8.235 1.00 0.00 H new ATOM 345 N VAL A 21 -8.717 2.655 -6.496 1.00 0.00 N ATOM 346 CA VAL A 21 -9.784 1.662 -6.500 1.00 0.00 C ATOM 347 C VAL A 21 -11.007 2.461 -6.144 1.00 0.00 C ATOM 348 O VAL A 21 -11.064 3.644 -6.421 1.00 0.00 O ATOM 349 CB VAL A 21 -9.372 0.715 -5.369 1.00 0.00 C ATOM 350 CG1 VAL A 21 -9.752 1.302 -4.014 1.00 0.00 C ATOM 351 CG2 VAL A 21 -9.994 -0.657 -5.544 1.00 0.00 C ATOM 0 H VAL A 21 -8.214 2.747 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.960 1.103 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.289 0.600 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.451 0.615 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.246 2.258 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.831 1.453 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.682 -1.305 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.080 -0.567 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.668 -1.086 -6.491 1.00 0.00 H new ATOM 361 N ALA A 22 -11.932 1.913 -5.467 1.00 0.00 N ATOM 362 CA ALA A 22 -13.042 2.796 -5.058 1.00 0.00 C ATOM 363 C ALA A 22 -12.428 3.678 -3.986 1.00 0.00 C ATOM 364 O ALA A 22 -12.061 3.194 -2.935 1.00 0.00 O ATOM 365 CB ALA A 22 -14.140 1.912 -4.501 1.00 0.00 C ATOM 0 H ALA A 22 -11.985 0.935 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.475 3.398 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.981 2.530 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.470 1.214 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.759 1.355 -3.645 1.00 0.00 H new ATOM 371 N ASP A 23 -12.234 4.938 -4.269 1.00 0.00 N ATOM 372 CA ASP A 23 -11.569 5.844 -3.301 1.00 0.00 C ATOM 373 C ASP A 23 -11.863 5.427 -1.848 1.00 0.00 C ATOM 374 O ASP A 23 -11.042 5.589 -0.971 1.00 0.00 O ATOM 375 CB ASP A 23 -12.170 7.205 -3.615 1.00 0.00 C ATOM 376 CG ASP A 23 -11.528 7.769 -4.884 1.00 0.00 C ATOM 377 OD1 ASP A 23 -11.998 7.434 -5.959 1.00 0.00 O ATOM 378 OD2 ASP A 23 -10.583 8.529 -4.759 1.00 0.00 O ATOM 0 H ASP A 23 -12.514 5.380 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.483 5.830 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.248 7.115 -3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.009 7.887 -2.780 1.00 0.00 H new ATOM 383 N GLY A 24 -13.016 4.867 -1.586 1.00 0.00 N ATOM 384 CA GLY A 24 -13.321 4.424 -0.193 1.00 0.00 C ATOM 385 C GLY A 24 -12.982 2.935 -0.073 1.00 0.00 C ATOM 386 O GLY A 24 -12.426 2.487 0.908 1.00 0.00 O ATOM 0 H GLY A 24 -13.754 4.698 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.741 5.004 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.373 4.593 0.037 1.00 0.00 H new ATOM 390 N TYR A 25 -13.267 2.180 -1.102 1.00 0.00 N ATOM 391 CA TYR A 25 -12.917 0.724 -1.102 1.00 0.00 C ATOM 392 C TYR A 25 -11.484 0.644 -0.664 1.00 0.00 C ATOM 393 O TYR A 25 -11.147 -0.008 0.298 1.00 0.00 O ATOM 394 CB TYR A 25 -13.044 0.338 -2.576 1.00 0.00 C ATOM 395 CG TYR A 25 -12.362 -0.970 -2.957 1.00 0.00 C ATOM 396 CD1 TYR A 25 -11.699 -1.776 -2.028 1.00 0.00 C ATOM 397 CD2 TYR A 25 -12.412 -1.378 -4.301 1.00 0.00 C ATOM 398 CE1 TYR A 25 -11.104 -2.961 -2.443 1.00 0.00 C ATOM 399 CE2 TYR A 25 -11.811 -2.570 -4.707 1.00 0.00 C ATOM 400 CZ TYR A 25 -11.161 -3.364 -3.776 1.00 0.00 C ATOM 401 OH TYR A 25 -10.571 -4.546 -4.171 1.00 0.00 O ATOM 0 H TYR A 25 -13.730 2.510 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.526 0.088 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.102 0.266 -2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.625 1.140 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.649 -1.479 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.921 -0.762 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.590 -3.579 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.852 -2.873 -5.743 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.671 -5.215 -3.462 1.00 0.00 H new ATOM 411 N ALA A 26 -10.655 1.345 -1.366 1.00 0.00 N ATOM 412 CA ALA A 26 -9.204 1.392 -1.012 1.00 0.00 C ATOM 413 C ALA A 26 -9.035 1.224 0.503 1.00 0.00 C ATOM 414 O ALA A 26 -8.463 0.262 0.967 1.00 0.00 O ATOM 415 CB ALA A 26 -8.779 2.802 -1.450 1.00 0.00 C ATOM 0 H ALA A 26 -10.915 1.898 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.613 0.606 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.720 2.946 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.950 2.918 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.364 3.544 -0.907 1.00 0.00 H new ATOM 421 N ASN A 27 -9.553 2.144 1.271 1.00 0.00 N ATOM 422 CA ASN A 27 -9.428 2.036 2.754 1.00 0.00 C ATOM 423 C ASN A 27 -10.600 1.252 3.364 1.00 0.00 C ATOM 424 O ASN A 27 -10.975 1.472 4.498 1.00 0.00 O ATOM 425 CB ASN A 27 -9.425 3.487 3.249 1.00 0.00 C ATOM 426 CG ASN A 27 -10.816 4.102 3.128 1.00 0.00 C ATOM 427 OD1 ASN A 27 -11.822 3.446 3.306 1.00 0.00 O ATOM 428 ND2 ASN A 27 -10.906 5.363 2.828 1.00 0.00 N ATOM 0 H ASN A 27 -10.057 2.965 0.937 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.528 1.494 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.096 3.521 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.712 4.073 2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.822 5.803 2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.060 5.913 2.679 1.00 0.00 H new ATOM 435 N ASN A 28 -11.183 0.345 2.630 1.00 0.00 N ATOM 436 CA ASN A 28 -12.327 -0.435 3.186 1.00 0.00 C ATOM 437 C ASN A 28 -12.182 -1.923 2.845 1.00 0.00 C ATOM 438 O ASN A 28 -13.046 -2.724 3.149 1.00 0.00 O ATOM 439 CB ASN A 28 -13.562 0.141 2.494 1.00 0.00 C ATOM 440 CG ASN A 28 -14.779 0.051 3.423 1.00 0.00 C ATOM 441 OD1 ASN A 28 -14.707 -0.631 4.537 1.00 0.00 O flip ATOM 442 ND2 ASN A 28 -15.820 0.603 3.122 1.00 0.00 N flip ATOM 0 H ASN A 28 -10.919 0.110 1.673 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.382 -0.362 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.382 1.180 2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.759 -0.405 1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -15.882 1.136 2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.631 0.533 3.737 1.00 0.00 H new ATOM 449 N PHE A 29 -11.112 -2.295 2.197 1.00 0.00 N ATOM 450 CA PHE A 29 -10.923 -3.727 1.822 1.00 0.00 C ATOM 451 C PHE A 29 -9.444 -3.999 1.505 1.00 0.00 C ATOM 452 O PHE A 29 -8.872 -4.968 1.945 1.00 0.00 O ATOM 453 CB PHE A 29 -11.804 -3.907 0.559 1.00 0.00 C ATOM 454 CG PHE A 29 -11.458 -5.172 -0.229 1.00 0.00 C ATOM 455 CD1 PHE A 29 -10.609 -6.161 0.288 1.00 0.00 C ATOM 456 CD2 PHE A 29 -11.958 -5.316 -1.530 1.00 0.00 C ATOM 457 CE1 PHE A 29 -10.264 -7.269 -0.492 1.00 0.00 C ATOM 458 CE2 PHE A 29 -11.619 -6.424 -2.305 1.00 0.00 C ATOM 459 CZ PHE A 29 -10.769 -7.402 -1.789 1.00 0.00 C ATOM 0 H PHE A 29 -10.359 -1.669 1.910 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.200 -4.417 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -12.852 -3.944 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.686 -3.038 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.221 -6.067 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.613 -4.560 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.605 -8.025 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.015 -6.525 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.502 -8.259 -2.389 1.00 0.00 H new ATOM 469 N LEU A 30 -8.833 -3.166 0.726 1.00 0.00 N ATOM 470 CA LEU A 30 -7.407 -3.416 0.330 1.00 0.00 C ATOM 471 C LEU A 30 -6.482 -2.943 1.412 1.00 0.00 C ATOM 472 O LEU A 30 -5.441 -3.510 1.667 1.00 0.00 O ATOM 473 CB LEU A 30 -7.196 -2.617 -0.967 1.00 0.00 C ATOM 474 CG LEU A 30 -8.417 -2.820 -1.837 1.00 0.00 C ATOM 475 CD1 LEU A 30 -8.434 -1.837 -3.011 1.00 0.00 C ATOM 476 CD2 LEU A 30 -8.469 -4.257 -2.383 1.00 0.00 C ATOM 0 H LEU A 30 -9.249 -2.319 0.339 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.199 -4.475 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.056 -1.559 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.298 -2.956 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.290 -2.639 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.324 -2.009 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.446 -0.816 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.544 -1.986 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.356 -4.378 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.578 -4.452 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.510 -4.961 -1.552 1.00 0.00 H new ATOM 488 N PHE A 31 -6.856 -1.899 2.037 1.00 0.00 N ATOM 489 CA PHE A 31 -6.019 -1.344 3.102 1.00 0.00 C ATOM 490 C PHE A 31 -6.261 -2.060 4.437 1.00 0.00 C ATOM 491 O PHE A 31 -5.387 -2.710 4.976 1.00 0.00 O ATOM 492 CB PHE A 31 -6.507 0.075 3.152 1.00 0.00 C ATOM 493 CG PHE A 31 -6.191 0.778 1.844 1.00 0.00 C ATOM 494 CD1 PHE A 31 -5.538 0.114 0.782 1.00 0.00 C ATOM 495 CD2 PHE A 31 -6.529 2.122 1.710 1.00 0.00 C ATOM 496 CE1 PHE A 31 -5.234 0.820 -0.388 1.00 0.00 C ATOM 497 CE2 PHE A 31 -6.212 2.820 0.546 1.00 0.00 C ATOM 498 CZ PHE A 31 -5.565 2.172 -0.497 1.00 0.00 C ATOM 0 H PHE A 31 -7.722 -1.392 1.857 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.948 -1.445 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.582 0.093 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.035 0.602 3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.275 -0.930 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.041 2.628 2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.742 0.318 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.470 3.865 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.317 2.716 -1.396 1.00 0.00 H new ATOM 508 N LYS A 32 -7.439 -1.925 4.981 1.00 0.00 N ATOM 509 CA LYS A 32 -7.742 -2.572 6.291 1.00 0.00 C ATOM 510 C LYS A 32 -7.406 -4.069 6.272 1.00 0.00 C ATOM 511 O LYS A 32 -7.307 -4.698 7.307 1.00 0.00 O ATOM 512 CB LYS A 32 -9.242 -2.365 6.494 1.00 0.00 C ATOM 513 CG LYS A 32 -9.569 -2.414 7.989 1.00 0.00 C ATOM 514 CD LYS A 32 -9.031 -1.157 8.675 1.00 0.00 C ATOM 515 CE LYS A 32 -10.058 -0.655 9.692 1.00 0.00 C ATOM 516 NZ LYS A 32 -10.110 -1.716 10.738 1.00 0.00 N ATOM 0 H LYS A 32 -8.208 -1.393 4.574 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.147 -2.140 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.547 -1.406 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.801 -3.136 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.647 -2.486 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.127 -3.303 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.087 -1.377 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.828 -0.384 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.759 0.304 10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.034 -0.508 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.525 -1.326 11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.694 -2.508 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.147 -2.056 10.936 1.00 0.00 H new ATOM 530 N GLN A 33 -7.236 -4.651 5.116 1.00 0.00 N ATOM 531 CA GLN A 33 -6.912 -6.110 5.069 1.00 0.00 C ATOM 532 C GLN A 33 -5.453 -6.327 4.659 1.00 0.00 C ATOM 533 O GLN A 33 -4.553 -6.195 5.464 1.00 0.00 O ATOM 534 CB GLN A 33 -7.860 -6.702 4.029 1.00 0.00 C ATOM 535 CG GLN A 33 -9.303 -6.544 4.507 1.00 0.00 C ATOM 536 CD GLN A 33 -10.212 -7.490 3.718 1.00 0.00 C ATOM 537 OE1 GLN A 33 -11.187 -7.063 3.133 1.00 0.00 O ATOM 538 NE2 GLN A 33 -9.935 -8.766 3.678 1.00 0.00 N ATOM 0 H GLN A 33 -7.306 -4.188 4.210 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.034 -6.584 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.726 -6.199 3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.631 -7.756 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.370 -6.764 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.630 -5.513 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.116 -9.126 4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.537 -9.402 3.156 1.00 0.00 H new ATOM 547 N GLY A 34 -5.201 -6.664 3.419 1.00 0.00 N ATOM 548 CA GLY A 34 -3.794 -6.887 2.994 1.00 0.00 C ATOM 549 C GLY A 34 -3.707 -6.946 1.466 1.00 0.00 C ATOM 550 O GLY A 34 -2.944 -7.712 0.913 1.00 0.00 O ATOM 0 H GLY A 34 -5.904 -6.792 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.161 -6.084 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.420 -7.816 3.423 1.00 0.00 H new ATOM 554 N LEU A 35 -4.460 -6.132 0.776 1.00 0.00 N ATOM 555 CA LEU A 35 -4.386 -6.142 -0.715 1.00 0.00 C ATOM 556 C LEU A 35 -3.658 -4.897 -1.192 1.00 0.00 C ATOM 557 O LEU A 35 -2.838 -4.945 -2.085 1.00 0.00 O ATOM 558 CB LEU A 35 -5.821 -6.074 -1.230 1.00 0.00 C ATOM 559 CG LEU A 35 -6.693 -7.157 -0.604 1.00 0.00 C ATOM 560 CD1 LEU A 35 -7.439 -6.602 0.609 1.00 0.00 C ATOM 561 CD2 LEU A 35 -7.712 -7.607 -1.646 1.00 0.00 C ATOM 0 H LEU A 35 -5.119 -5.464 1.176 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.865 -7.031 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.242 -5.093 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.825 -6.184 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.068 -7.990 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.058 -7.386 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.720 -6.252 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.072 -5.771 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.349 -8.383 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.326 -6.757 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.191 -8.003 -2.518 1.00 0.00 H new ATOM 573 N ALA A 36 -3.990 -3.777 -0.610 1.00 0.00 N ATOM 574 CA ALA A 36 -3.361 -2.486 -1.024 1.00 0.00 C ATOM 575 C ALA A 36 -3.156 -1.548 0.159 1.00 0.00 C ATOM 576 O ALA A 36 -3.525 -1.839 1.281 1.00 0.00 O ATOM 577 CB ALA A 36 -4.388 -1.841 -1.950 1.00 0.00 C ATOM 0 H ALA A 36 -4.676 -3.698 0.141 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.386 -2.663 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.008 -0.883 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.571 -2.496 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.320 -1.683 -1.407 1.00 0.00 H new ATOM 583 N ILE A 37 -2.613 -0.391 -0.108 1.00 0.00 N ATOM 584 CA ILE A 37 -2.442 0.626 0.970 1.00 0.00 C ATOM 585 C ILE A 37 -2.730 2.005 0.389 1.00 0.00 C ATOM 586 O ILE A 37 -2.540 2.251 -0.786 1.00 0.00 O ATOM 587 CB ILE A 37 -0.996 0.537 1.439 1.00 0.00 C ATOM 588 CG1 ILE A 37 -0.087 0.733 0.223 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.762 -0.823 2.099 1.00 0.00 C ATOM 590 CD1 ILE A 37 1.241 -0.006 0.412 1.00 0.00 C ATOM 0 H ILE A 37 -2.279 -0.105 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.120 0.453 1.806 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.773 1.309 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.588 0.367 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.101 1.796 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.272 -0.891 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.430 -0.933 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.961 -1.616 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.871 0.147 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.749 0.379 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.050 -1.072 0.539 1.00 0.00 H new ATOM 602 N GLU A 38 -3.193 2.903 1.202 1.00 0.00 N ATOM 603 CA GLU A 38 -3.504 4.273 0.699 1.00 0.00 C ATOM 604 C GLU A 38 -2.394 4.756 -0.233 1.00 0.00 C ATOM 605 O GLU A 38 -1.288 5.006 0.197 1.00 0.00 O ATOM 606 CB GLU A 38 -3.560 5.146 1.955 1.00 0.00 C ATOM 607 CG GLU A 38 -3.633 6.623 1.557 1.00 0.00 C ATOM 608 CD GLU A 38 -2.694 7.437 2.449 1.00 0.00 C ATOM 609 OE1 GLU A 38 -2.273 6.913 3.468 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.411 8.571 2.098 1.00 0.00 O ATOM 0 H GLU A 38 -3.372 2.753 2.195 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.434 4.306 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.429 4.879 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.679 4.969 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.353 6.743 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.655 6.988 1.658 1.00 0.00 H new ATOM 617 N ALA A 39 -2.659 4.893 -1.505 1.00 0.00 N ATOM 618 CA ALA A 39 -1.561 5.372 -2.405 1.00 0.00 C ATOM 619 C ALA A 39 -0.983 6.694 -1.876 1.00 0.00 C ATOM 620 O ALA A 39 -1.493 7.760 -2.158 1.00 0.00 O ATOM 621 CB ALA A 39 -2.207 5.588 -3.769 1.00 0.00 C ATOM 0 H ALA A 39 -3.556 4.702 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.741 4.655 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.456 5.940 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.628 4.648 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.000 6.331 -3.683 1.00 0.00 H new ATOM 627 N THR A 40 0.085 6.634 -1.122 1.00 0.00 N ATOM 628 CA THR A 40 0.701 7.895 -0.586 1.00 0.00 C ATOM 629 C THR A 40 2.033 8.164 -1.273 1.00 0.00 C ATOM 630 O THR A 40 2.677 7.256 -1.753 1.00 0.00 O ATOM 631 CB THR A 40 0.941 7.685 0.923 1.00 0.00 C ATOM 632 OG1 THR A 40 2.112 8.386 1.313 1.00 0.00 O ATOM 633 CG2 THR A 40 1.133 6.204 1.260 1.00 0.00 C ATOM 0 H THR A 40 0.559 5.772 -0.853 1.00 0.00 H new ATOM 0 HA THR A 40 0.042 8.744 -0.767 1.00 0.00 H new ATOM 0 HB THR A 40 0.066 8.057 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.267 8.256 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.300 6.093 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.242 5.647 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.995 5.816 0.717 1.00 0.00 H new ATOM 641 N PRO A 41 2.416 9.409 -1.283 1.00 0.00 N ATOM 642 CA PRO A 41 3.717 9.722 -1.922 1.00 0.00 C ATOM 643 C PRO A 41 4.791 8.781 -1.370 1.00 0.00 C ATOM 644 O PRO A 41 5.450 8.087 -2.114 1.00 0.00 O ATOM 645 CB PRO A 41 3.984 11.176 -1.539 1.00 0.00 C ATOM 646 CG PRO A 41 3.194 11.383 -0.293 1.00 0.00 C ATOM 647 CD PRO A 41 1.966 10.525 -0.431 1.00 0.00 C ATOM 0 HA PRO A 41 3.718 9.591 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.046 11.354 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.668 11.859 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.772 11.098 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.925 12.432 -0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.613 10.172 0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.143 11.073 -0.890 1.00 0.00 H new ATOM 655 N ALA A 42 4.954 8.740 -0.072 1.00 0.00 N ATOM 656 CA ALA A 42 5.967 7.821 0.534 1.00 0.00 C ATOM 657 C ALA A 42 6.012 6.500 -0.243 1.00 0.00 C ATOM 658 O ALA A 42 7.064 6.029 -0.632 1.00 0.00 O ATOM 659 CB ALA A 42 5.481 7.582 1.965 1.00 0.00 C ATOM 0 H ALA A 42 4.429 9.304 0.596 1.00 0.00 H new ATOM 0 HA ALA A 42 6.972 8.241 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.174 6.915 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.432 8.533 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.490 7.128 1.942 1.00 0.00 H new ATOM 665 N ASN A 43 4.874 5.897 -0.467 1.00 0.00 N ATOM 666 CA ASN A 43 4.842 4.607 -1.213 1.00 0.00 C ATOM 667 C ASN A 43 4.961 4.850 -2.722 1.00 0.00 C ATOM 668 O ASN A 43 5.865 4.362 -3.368 1.00 0.00 O ATOM 669 CB ASN A 43 3.477 4.009 -0.878 1.00 0.00 C ATOM 670 CG ASN A 43 3.361 3.832 0.635 1.00 0.00 C ATOM 671 OD1 ASN A 43 3.750 4.697 1.395 1.00 0.00 O ATOM 672 ND2 ASN A 43 2.836 2.737 1.108 1.00 0.00 N ATOM 0 H ASN A 43 3.964 6.244 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 43 5.667 3.950 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.683 4.661 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.355 3.048 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.752 2.606 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.510 2.011 0.470 1.00 0.00 H new ATOM 679 N LEU A 44 4.048 5.594 -3.287 1.00 0.00 N ATOM 680 CA LEU A 44 4.100 5.863 -4.752 1.00 0.00 C ATOM 681 C LEU A 44 5.510 6.290 -5.160 1.00 0.00 C ATOM 682 O LEU A 44 5.915 6.129 -6.295 1.00 0.00 O ATOM 683 CB LEU A 44 3.096 6.996 -4.982 1.00 0.00 C ATOM 684 CG LEU A 44 1.695 6.401 -5.152 1.00 0.00 C ATOM 685 CD1 LEU A 44 1.340 5.563 -3.924 1.00 0.00 C ATOM 686 CD2 LEU A 44 0.669 7.527 -5.305 1.00 0.00 C ATOM 0 H LEU A 44 3.267 6.028 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 44 3.857 4.982 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.111 7.687 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.371 7.568 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 44 1.682 5.772 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.343 5.141 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.064 4.756 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.359 6.194 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.326 7.099 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.687 8.159 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.915 8.126 -6.182 1.00 0.00 H new ATOM 698 N LYS A 45 6.267 6.819 -4.240 1.00 0.00 N ATOM 699 CA LYS A 45 7.656 7.241 -4.570 1.00 0.00 C ATOM 700 C LYS A 45 8.552 6.005 -4.656 1.00 0.00 C ATOM 701 O LYS A 45 9.408 5.900 -5.514 1.00 0.00 O ATOM 702 CB LYS A 45 8.084 8.141 -3.408 1.00 0.00 C ATOM 703 CG LYS A 45 9.577 8.456 -3.522 1.00 0.00 C ATOM 704 CD LYS A 45 9.760 9.872 -4.072 1.00 0.00 C ATOM 705 CE LYS A 45 9.893 10.855 -2.907 1.00 0.00 C ATOM 706 NZ LYS A 45 9.084 12.042 -3.304 1.00 0.00 N ATOM 0 H LYS A 45 5.983 6.977 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 45 7.726 7.762 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.506 9.065 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.878 7.647 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.053 8.370 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.063 7.734 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.647 9.917 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.910 10.144 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.523 10.419 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.935 11.127 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.128 12.759 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.463 12.441 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.095 11.755 -3.451 1.00 0.00 H new ATOM 720 N ALA A 46 8.352 5.066 -3.775 1.00 0.00 N ATOM 721 CA ALA A 46 9.177 3.826 -3.798 1.00 0.00 C ATOM 722 C ALA A 46 8.773 2.949 -4.986 1.00 0.00 C ATOM 723 O ALA A 46 9.607 2.452 -5.715 1.00 0.00 O ATOM 724 CB ALA A 46 8.862 3.125 -2.474 1.00 0.00 C ATOM 0 H ALA A 46 7.649 5.104 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 46 10.242 4.032 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.431 2.198 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.134 3.777 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.796 2.901 -2.425 1.00 0.00 H new ATOM 730 N LEU A 47 7.499 2.760 -5.186 1.00 0.00 N ATOM 731 CA LEU A 47 7.035 1.918 -6.326 1.00 0.00 C ATOM 732 C LEU A 47 7.867 2.208 -7.583 1.00 0.00 C ATOM 733 O LEU A 47 8.371 1.310 -8.226 1.00 0.00 O ATOM 734 CB LEU A 47 5.579 2.330 -6.544 1.00 0.00 C ATOM 735 CG LEU A 47 4.647 1.189 -6.134 1.00 0.00 C ATOM 736 CD1 LEU A 47 4.880 -0.015 -7.049 1.00 0.00 C ATOM 737 CD2 LEU A 47 4.925 0.790 -4.683 1.00 0.00 C ATOM 0 H LEU A 47 6.756 3.153 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 47 7.138 0.852 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.353 3.223 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.417 2.585 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 47 3.612 1.520 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.216 -0.828 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.675 0.268 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.916 -0.343 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.259 -0.023 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.960 0.462 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.755 1.647 -4.031 1.00 0.00 H new ATOM 749 N GLU A 48 8.006 3.457 -7.937 1.00 0.00 N ATOM 750 CA GLU A 48 8.798 3.809 -9.154 1.00 0.00 C ATOM 751 C GLU A 48 10.078 2.966 -9.232 1.00 0.00 C ATOM 752 O GLU A 48 10.454 2.488 -10.283 1.00 0.00 O ATOM 753 CB GLU A 48 9.137 5.293 -8.981 1.00 0.00 C ATOM 754 CG GLU A 48 10.337 5.659 -9.861 1.00 0.00 C ATOM 755 CD GLU A 48 11.558 5.909 -8.975 1.00 0.00 C ATOM 756 OE1 GLU A 48 11.606 6.955 -8.349 1.00 0.00 O ATOM 757 OE2 GLU A 48 12.424 5.050 -8.936 1.00 0.00 O ATOM 0 H GLU A 48 7.606 4.251 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 48 8.247 3.616 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.277 5.906 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.363 5.504 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.544 4.854 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.113 6.548 -10.450 1.00 0.00 H new ATOM 764 N ALA A 49 10.759 2.795 -8.131 1.00 0.00 N ATOM 765 CA ALA A 49 12.023 1.999 -8.150 1.00 0.00 C ATOM 766 C ALA A 49 11.776 0.586 -8.689 1.00 0.00 C ATOM 767 O ALA A 49 12.436 0.137 -9.605 1.00 0.00 O ATOM 768 CB ALA A 49 12.480 1.939 -6.692 1.00 0.00 C ATOM 0 H ALA A 49 10.496 3.171 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 49 12.772 2.452 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.406 1.368 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.649 2.950 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.711 1.456 -6.089 1.00 0.00 H new ATOM 774 N GLN A 50 10.841 -0.125 -8.122 1.00 0.00 N ATOM 775 CA GLN A 50 10.569 -1.511 -8.603 1.00 0.00 C ATOM 776 C GLN A 50 10.565 -1.558 -10.136 1.00 0.00 C ATOM 777 O GLN A 50 11.226 -2.378 -10.743 1.00 0.00 O ATOM 778 CB GLN A 50 9.185 -1.856 -8.052 1.00 0.00 C ATOM 779 CG GLN A 50 9.142 -3.338 -7.672 1.00 0.00 C ATOM 780 CD GLN A 50 9.022 -4.189 -8.937 1.00 0.00 C ATOM 781 OE1 GLN A 50 9.981 -4.799 -9.365 1.00 0.00 O ATOM 782 NE2 GLN A 50 7.875 -4.259 -9.557 1.00 0.00 N ATOM 0 H GLN A 50 10.255 0.191 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 50 11.330 -2.217 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.965 -1.240 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.420 -1.638 -8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.044 -3.609 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.297 -3.530 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.069 -3.747 -9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.785 -4.826 -10.400 1.00 0.00 H new ATOM 791 N LYS A 51 9.822 -0.688 -10.765 1.00 0.00 N ATOM 792 CA LYS A 51 9.766 -0.684 -12.257 1.00 0.00 C ATOM 793 C LYS A 51 11.120 -0.284 -12.856 1.00 0.00 C ATOM 794 O LYS A 51 11.565 -0.848 -13.836 1.00 0.00 O ATOM 795 CB LYS A 51 8.705 0.362 -12.601 1.00 0.00 C ATOM 796 CG LYS A 51 7.982 -0.048 -13.887 1.00 0.00 C ATOM 797 CD LYS A 51 6.671 -0.756 -13.533 1.00 0.00 C ATOM 798 CE LYS A 51 5.500 0.209 -13.730 1.00 0.00 C ATOM 799 NZ LYS A 51 4.557 -0.514 -14.627 1.00 0.00 N ATOM 0 H LYS A 51 9.249 0.023 -10.309 1.00 0.00 H new ATOM 0 HA LYS A 51 9.529 -1.669 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.991 0.454 -11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.170 1.339 -12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.779 0.831 -14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.616 -0.708 -14.478 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.540 -1.637 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.700 -1.103 -12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.029 0.458 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.831 1.146 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.725 0.083 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.032 -0.732 -15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.254 -1.399 -14.172 1.00 0.00 H new ATOM 813 N GLN A 52 11.771 0.688 -12.279 1.00 0.00 N ATOM 814 CA GLN A 52 13.092 1.130 -12.819 1.00 0.00 C ATOM 815 C GLN A 52 14.008 -0.077 -13.053 1.00 0.00 C ATOM 816 O GLN A 52 14.689 -0.167 -14.055 1.00 0.00 O ATOM 817 CB GLN A 52 13.670 2.046 -11.739 1.00 0.00 C ATOM 818 CG GLN A 52 14.877 2.799 -12.299 1.00 0.00 C ATOM 819 CD GLN A 52 16.033 1.824 -12.518 1.00 0.00 C ATOM 820 OE1 GLN A 52 16.319 0.949 -11.593 1.00 0.00 O flip ATOM 821 NE2 GLN A 52 16.687 1.860 -13.541 1.00 0.00 N flip ATOM 0 H GLN A 52 11.447 1.197 -11.457 1.00 0.00 H new ATOM 0 HA GLN A 52 12.996 1.638 -13.779 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.911 2.753 -11.403 1.00 0.00 H new ATOM 0 HB3 GLN A 52 13.966 1.459 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 52 14.612 3.282 -13.240 1.00 0.00 H new ATOM 0 HG3 GLN A 52 15.179 3.587 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.464 2.543 -14.265 1.00 0.00 H new ATOM 0 HE22 GLN A 52 17.459 1.207 -13.676 1.00 0.00 H new ATOM 830 N LYS A 53 14.031 -1.002 -12.135 1.00 0.00 N ATOM 831 CA LYS A 53 14.902 -2.197 -12.300 1.00 0.00 C ATOM 832 C LYS A 53 14.581 -2.917 -13.609 1.00 0.00 C ATOM 833 O LYS A 53 13.442 -3.217 -13.907 1.00 0.00 O ATOM 834 CB LYS A 53 14.577 -3.088 -11.103 1.00 0.00 C ATOM 835 CG LYS A 53 15.633 -2.880 -10.017 1.00 0.00 C ATOM 836 CD LYS A 53 14.977 -2.989 -8.640 1.00 0.00 C ATOM 837 CE LYS A 53 14.678 -4.459 -8.332 1.00 0.00 C ATOM 838 NZ LYS A 53 13.228 -4.626 -8.621 1.00 0.00 N ATOM 0 H LYS A 53 13.482 -0.981 -11.275 1.00 0.00 H new ATOM 0 HA LYS A 53 15.959 -1.933 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.587 -2.848 -10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.555 -4.134 -11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.423 -3.625 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.101 -1.902 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.636 -2.573 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.056 -2.407 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.283 -5.123 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.903 -4.698 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.743 -4.980 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.821 -3.709 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.105 -5.306 -9.399 1.00 0.00 H new ATOM 852 N GLU A 54 15.585 -3.192 -14.390 1.00 0.00 N ATOM 853 CA GLU A 54 15.364 -3.895 -15.687 1.00 0.00 C ATOM 854 C GLU A 54 16.546 -4.826 -15.979 1.00 0.00 C ATOM 855 O GLU A 54 16.507 -6.005 -15.691 1.00 0.00 O ATOM 856 CB GLU A 54 15.282 -2.780 -16.733 1.00 0.00 C ATOM 857 CG GLU A 54 13.830 -2.604 -17.192 1.00 0.00 C ATOM 858 CD GLU A 54 13.414 -1.140 -17.021 1.00 0.00 C ATOM 859 OE1 GLU A 54 13.685 -0.360 -17.919 1.00 0.00 O ATOM 860 OE2 GLU A 54 12.832 -0.827 -15.996 1.00 0.00 O ATOM 0 H GLU A 54 16.557 -2.959 -14.186 1.00 0.00 H new ATOM 0 HA GLU A 54 14.464 -4.510 -15.683 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.656 -1.846 -16.313 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.916 -3.022 -17.586 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.729 -2.902 -18.235 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.173 -3.250 -16.610 1.00 0.00 H new ATOM 867 N GLN A 55 17.603 -4.303 -16.542 1.00 0.00 N ATOM 868 CA GLN A 55 18.791 -5.154 -16.844 1.00 0.00 C ATOM 869 C GLN A 55 20.033 -4.275 -17.020 1.00 0.00 C ATOM 870 O GLN A 55 20.981 -4.646 -17.682 1.00 0.00 O ATOM 871 CB GLN A 55 18.449 -5.871 -18.152 1.00 0.00 C ATOM 872 CG GLN A 55 19.405 -7.050 -18.353 1.00 0.00 C ATOM 873 CD GLN A 55 18.631 -8.363 -18.216 1.00 0.00 C ATOM 874 OE1 GLN A 55 17.666 -8.440 -17.483 1.00 0.00 O ATOM 875 NE2 GLN A 55 19.013 -9.407 -18.899 1.00 0.00 N ATOM 0 H GLN A 55 17.695 -3.322 -16.806 1.00 0.00 H new ATOM 0 HA GLN A 55 19.009 -5.860 -16.043 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.418 -6.225 -18.126 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.527 -5.178 -18.990 1.00 0.00 H new ATOM 0 HG2 GLN A 55 19.871 -6.991 -19.337 1.00 0.00 H new ATOM 0 HG3 GLN A 55 20.208 -7.010 -17.617 1.00 0.00 H new ATOM 0 HE21 GLN A 55 19.823 -9.345 -19.515 1.00 0.00 H new ATOM 0 HE22 GLN A 55 18.501 -10.286 -18.817 1.00 0.00 H new ATOM 884 N ARG A 56 20.033 -3.110 -16.430 1.00 0.00 N ATOM 885 CA ARG A 56 21.212 -2.206 -16.562 1.00 0.00 C ATOM 886 C ARG A 56 21.479 -1.487 -15.237 1.00 0.00 C ATOM 887 O ARG A 56 20.665 -0.662 -14.857 1.00 0.00 O ATOM 888 CB ARG A 56 20.818 -1.201 -17.646 1.00 0.00 C ATOM 889 CG ARG A 56 22.081 -0.613 -18.281 1.00 0.00 C ATOM 890 CD ARG A 56 22.710 0.396 -17.320 1.00 0.00 C ATOM 891 NE ARG A 56 23.920 0.901 -18.027 1.00 0.00 N ATOM 892 CZ ARG A 56 24.749 1.696 -17.412 1.00 0.00 C ATOM 893 NH1 ARG A 56 24.400 2.926 -17.150 1.00 0.00 N ATOM 894 NH2 ARG A 56 25.929 1.264 -17.061 1.00 0.00 N ATOM 895 OXT ARG A 56 22.495 -1.775 -14.623 1.00 0.00 O ATOM 0 H ARG A 56 19.268 -2.745 -15.863 1.00 0.00 H new ATOM 0 HA ARG A 56 22.122 -2.748 -16.818 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.210 -1.690 -18.407 1.00 0.00 H new ATOM 0 HB3 ARG A 56 20.210 -0.405 -17.215 1.00 0.00 H new ATOM 0 HG2 ARG A 56 22.792 -1.408 -18.507 1.00 0.00 H new ATOM 0 HG3 ARG A 56 21.834 -0.128 -19.225 1.00 0.00 H new ATOM 0 HD2 ARG A 56 22.019 1.207 -17.092 1.00 0.00 H new ATOM 0 HD3 ARG A 56 22.974 -0.073 -16.372 1.00 0.00 H new ATOM 0 HE ARG A 56 24.099 0.624 -18.992 1.00 0.00 H new ATOM 0 HH11 ARG A 56 23.478 3.265 -17.427 1.00 0.00 H new ATOM 0 HH12 ARG A 56 25.049 3.549 -16.669 1.00 0.00 H new ATOM 0 HH21 ARG A 56 26.203 0.304 -17.268 1.00 0.00 H new ATOM 0 HH22 ARG A 56 26.578 1.887 -16.580 1.00 0.00 H new TER 909 ARG A 56