USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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 24 MET CE :methyl -142:sc= -4.86! (180deg=-2.97!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -138:sc= -1.38 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 155:sc= -0.956 (180deg=-2.81!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.939 X(o=-0.94,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ -125:sc= -0.256 (180deg=-1.83) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.09) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -9.17! C(o=-9.2!,f=-22!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -121:sc= -0.29 (180deg=-1.81) USER MOD Single : A 29 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 31 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 -36:sc= 1.25 USER MOD Single : A 46 SER OG : rot -170:sc= -3.77! 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= -3.24! C(o=-3.2!,f=-6.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0601 USER MOD Single : A 60 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.863 -4.658 -2.638 1.00 0.00 N ATOM 2 CA LEU A 1 11.099 -4.357 -1.394 1.00 0.00 C ATOM 3 C LEU A 1 11.011 -2.842 -1.202 1.00 0.00 C ATOM 4 O LEU A 1 11.050 -2.342 -0.095 1.00 0.00 O ATOM 5 CB LEU A 1 11.808 -4.982 -0.192 1.00 0.00 C ATOM 6 CG LEU A 1 13.323 -4.894 -0.389 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.959 -4.227 0.831 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.896 -6.304 -0.553 1.00 0.00 C ATOM 0 H1 LEU A 1 12.286 -5.605 -2.565 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.221 -4.627 -3.456 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.616 -3.951 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 1 10.095 -4.772 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.519 -4.465 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.505 -6.023 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 1 13.540 -4.304 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.038 -4.165 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.550 -3.224 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.743 -4.817 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.975 -6.244 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.678 -6.891 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.443 -6.782 -1.422 1.00 0.00 H new ATOM 22 N LYS A 2 10.889 -2.108 -2.273 1.00 0.00 N ATOM 23 CA LYS A 2 10.794 -0.626 -2.157 1.00 0.00 C ATOM 24 C LYS A 2 9.536 -0.145 -2.881 1.00 0.00 C ATOM 25 O LYS A 2 9.156 -0.680 -3.904 1.00 0.00 O ATOM 26 CB LYS A 2 12.027 0.017 -2.795 1.00 0.00 C ATOM 27 CG LYS A 2 12.110 -0.391 -4.267 1.00 0.00 C ATOM 28 CD LYS A 2 12.967 0.621 -5.029 1.00 0.00 C ATOM 29 CE LYS A 2 12.142 1.241 -6.157 1.00 0.00 C ATOM 30 NZ LYS A 2 12.501 2.680 -6.303 1.00 0.00 N ATOM 0 H LYS A 2 10.851 -2.471 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 2 10.743 -0.344 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.970 1.102 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.928 -0.297 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.541 -1.388 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.111 -0.436 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.319 1.399 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.851 0.131 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.329 0.712 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.078 1.141 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.940 3.102 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.301 3.180 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.513 2.764 -6.528 1.00 0.00 H new ATOM 44 N CYS A 3 8.880 0.858 -2.362 1.00 0.00 N ATOM 45 CA CYS A 3 7.644 1.357 -3.035 1.00 0.00 C ATOM 46 C CYS A 3 7.418 2.825 -2.673 1.00 0.00 C ATOM 47 O CYS A 3 8.305 3.501 -2.189 1.00 0.00 O ATOM 48 CB CYS A 3 6.412 0.532 -2.613 1.00 0.00 C ATOM 49 SG CYS A 3 6.827 -0.635 -1.286 1.00 0.00 S ATOM 0 H CYS A 3 9.143 1.351 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 3 7.778 1.255 -4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.620 1.202 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.025 -0.014 -3.473 1.00 0.00 H new ATOM 54 N ASN A 4 6.236 3.325 -2.911 1.00 0.00 N ATOM 55 CA ASN A 4 5.950 4.751 -2.590 1.00 0.00 C ATOM 56 C ASN A 4 4.953 4.833 -1.433 1.00 0.00 C ATOM 57 O ASN A 4 4.228 3.898 -1.157 1.00 0.00 O ATOM 58 CB ASN A 4 5.362 5.441 -3.822 1.00 0.00 C ATOM 59 CG ASN A 4 5.469 6.957 -3.657 1.00 0.00 C ATOM 60 OD1 ASN A 4 4.635 7.571 -3.022 1.00 0.00 O ATOM 61 ND2 ASN A 4 6.469 7.592 -4.205 1.00 0.00 N ATOM 0 H ASN A 4 5.456 2.806 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 4 6.876 5.248 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.894 5.124 -4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.319 5.151 -3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.550 8.603 -4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.170 7.077 -4.738 1.00 0.00 H new ATOM 68 N LYS A 5 4.910 5.949 -0.757 1.00 0.00 N ATOM 69 CA LYS A 5 3.963 6.100 0.378 1.00 0.00 C ATOM 70 C LYS A 5 3.381 7.515 0.361 1.00 0.00 C ATOM 71 O LYS A 5 3.925 8.411 -0.252 1.00 0.00 O ATOM 72 CB LYS A 5 4.704 5.862 1.695 1.00 0.00 C ATOM 73 CG LYS A 5 3.693 5.538 2.798 1.00 0.00 C ATOM 74 CD LYS A 5 3.965 4.136 3.345 1.00 0.00 C ATOM 75 CE LYS A 5 4.143 4.205 4.863 1.00 0.00 C ATOM 76 NZ LYS A 5 5.416 4.910 5.178 1.00 0.00 N ATOM 0 H LYS A 5 5.493 6.764 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 5 3.156 5.373 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.412 5.041 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.282 6.746 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.766 6.273 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.678 5.595 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.139 3.470 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.860 3.721 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.302 4.730 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.156 3.200 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.005 4.307 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.927 5.115 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.206 5.801 5.672 1.00 0.00 H new ATOM 90 N LEU A 6 2.276 7.722 1.021 1.00 0.00 N ATOM 91 CA LEU A 6 1.662 9.080 1.032 1.00 0.00 C ATOM 92 C LEU A 6 1.877 9.734 2.399 1.00 0.00 C ATOM 93 O LEU A 6 1.390 10.816 2.660 1.00 0.00 O ATOM 94 CB LEU A 6 0.161 8.956 0.760 1.00 0.00 C ATOM 95 CG LEU A 6 -0.501 8.170 1.891 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.947 8.639 2.059 1.00 0.00 C ATOM 97 CD2 LEU A 6 -0.487 6.679 1.550 1.00 0.00 C ATOM 0 H LEU A 6 1.772 7.012 1.552 1.00 0.00 H new ATOM 0 HA LEU A 6 2.128 9.695 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.288 9.946 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.006 8.453 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 6 0.046 8.337 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.420 8.079 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.959 9.702 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.494 8.471 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.959 6.117 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.035 6.513 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.543 6.343 1.428 1.00 0.00 H new ATOM 109 N VAL A 7 2.585 9.081 3.279 1.00 0.00 N ATOM 110 CA VAL A 7 2.807 9.664 4.632 1.00 0.00 C ATOM 111 C VAL A 7 4.168 10.391 4.703 1.00 0.00 C ATOM 112 O VAL A 7 4.208 11.569 4.994 1.00 0.00 O ATOM 113 CB VAL A 7 2.716 8.540 5.682 1.00 0.00 C ATOM 114 CG1 VAL A 7 3.657 8.814 6.861 1.00 0.00 C ATOM 115 CG2 VAL A 7 1.278 8.460 6.201 1.00 0.00 C ATOM 0 H VAL A 7 3.018 8.171 3.120 1.00 0.00 H new ATOM 0 HA VAL A 7 2.037 10.408 4.839 1.00 0.00 H new ATOM 0 HB VAL A 7 3.009 7.600 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.574 8.006 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.684 8.874 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.383 9.757 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.203 7.667 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.002 9.411 6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.604 8.245 5.372 1.00 0.00 H new ATOM 125 N PRO A 8 5.244 9.677 4.461 1.00 0.00 N ATOM 126 CA PRO A 8 6.600 10.257 4.526 1.00 0.00 C ATOM 127 C PRO A 8 6.916 11.091 3.279 1.00 0.00 C ATOM 128 O PRO A 8 6.036 11.531 2.566 1.00 0.00 O ATOM 129 CB PRO A 8 7.512 9.032 4.604 1.00 0.00 C ATOM 130 CG PRO A 8 6.708 7.852 4.014 1.00 0.00 C ATOM 131 CD PRO A 8 5.221 8.243 4.105 1.00 0.00 C ATOM 0 HA PRO A 8 6.721 10.937 5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.431 9.196 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.801 8.828 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.997 7.665 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.902 6.935 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.707 8.076 3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.700 7.654 4.859 1.00 0.00 H new ATOM 139 N LEU A 9 8.178 11.319 3.027 1.00 0.00 N ATOM 140 CA LEU A 9 8.587 12.134 1.847 1.00 0.00 C ATOM 141 C LEU A 9 7.893 11.633 0.577 1.00 0.00 C ATOM 142 O LEU A 9 6.996 12.271 0.060 1.00 0.00 O ATOM 143 CB LEU A 9 10.105 12.035 1.662 1.00 0.00 C ATOM 144 CG LEU A 9 10.588 10.644 2.082 1.00 0.00 C ATOM 145 CD1 LEU A 9 11.461 10.050 0.976 1.00 0.00 C ATOM 146 CD2 LEU A 9 11.405 10.755 3.371 1.00 0.00 C ATOM 0 H LEU A 9 8.950 10.971 3.595 1.00 0.00 H new ATOM 0 HA LEU A 9 8.296 13.170 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.367 12.222 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.604 12.799 2.258 1.00 0.00 H new ATOM 0 HG LEU A 9 9.727 9.998 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.804 9.060 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.880 9.970 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.322 10.696 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.749 9.765 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 9 12.266 11.402 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.783 11.177 4.161 1.00 0.00 H new ATOM 158 N PHE A 10 8.303 10.507 0.060 1.00 0.00 N ATOM 159 CA PHE A 10 7.671 9.987 -1.179 1.00 0.00 C ATOM 160 C PHE A 10 7.957 8.491 -1.303 1.00 0.00 C ATOM 161 O PHE A 10 7.247 7.673 -0.763 1.00 0.00 O ATOM 162 CB PHE A 10 8.246 10.723 -2.392 1.00 0.00 C ATOM 163 CG PHE A 10 7.739 12.145 -2.409 1.00 0.00 C ATOM 164 CD1 PHE A 10 6.449 12.422 -2.878 1.00 0.00 C ATOM 165 CD2 PHE A 10 8.558 13.188 -1.957 1.00 0.00 C ATOM 166 CE1 PHE A 10 5.977 13.740 -2.894 1.00 0.00 C ATOM 167 CE2 PHE A 10 8.086 14.506 -1.973 1.00 0.00 C ATOM 168 CZ PHE A 10 6.796 14.783 -2.443 1.00 0.00 C ATOM 0 H PHE A 10 9.049 9.927 0.444 1.00 0.00 H new ATOM 0 HA PHE A 10 6.594 10.148 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.335 10.715 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.957 10.212 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.818 11.618 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.553 12.975 -1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.981 13.953 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.717 15.310 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.433 15.800 -2.458 1.00 0.00 H new ATOM 178 N TYR A 11 8.990 8.122 -2.010 1.00 0.00 N ATOM 179 CA TYR A 11 9.294 6.672 -2.160 1.00 0.00 C ATOM 180 C TYR A 11 10.391 6.255 -1.183 1.00 0.00 C ATOM 181 O TYR A 11 11.381 6.938 -1.009 1.00 0.00 O ATOM 182 CB TYR A 11 9.750 6.387 -3.593 1.00 0.00 C ATOM 183 CG TYR A 11 10.876 7.322 -3.964 1.00 0.00 C ATOM 184 CD1 TYR A 11 12.201 6.965 -3.690 1.00 0.00 C ATOM 185 CD2 TYR A 11 10.595 8.544 -4.587 1.00 0.00 C ATOM 186 CE1 TYR A 11 13.246 7.830 -4.037 1.00 0.00 C ATOM 187 CE2 TYR A 11 11.639 9.409 -4.934 1.00 0.00 C ATOM 188 CZ TYR A 11 12.964 9.052 -4.660 1.00 0.00 C ATOM 189 OH TYR A 11 13.993 9.905 -5.003 1.00 0.00 O ATOM 0 H TYR A 11 9.631 8.756 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 11 8.392 6.100 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.080 5.352 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.916 6.515 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.418 6.022 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.573 8.819 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.269 7.555 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.422 10.352 -5.413 1.00 0.00 H new ATOM 0 HH TYR A 11 13.625 10.708 -5.427 1.00 0.00 H new ATOM 199 N LYS A 12 10.217 5.129 -0.546 1.00 0.00 N ATOM 200 CA LYS A 12 11.239 4.644 0.421 1.00 0.00 C ATOM 201 C LYS A 12 11.366 3.123 0.296 1.00 0.00 C ATOM 202 O LYS A 12 10.738 2.504 -0.546 1.00 0.00 O ATOM 203 CB LYS A 12 10.813 5.007 1.847 1.00 0.00 C ATOM 204 CG LYS A 12 11.979 5.679 2.576 1.00 0.00 C ATOM 205 CD LYS A 12 12.268 4.929 3.878 1.00 0.00 C ATOM 206 CE LYS A 12 13.672 4.324 3.817 1.00 0.00 C ATOM 207 NZ LYS A 12 13.703 3.060 4.606 1.00 0.00 N ATOM 0 H LYS A 12 9.405 4.521 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 12 12.199 5.112 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.953 5.676 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.503 4.111 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.865 5.682 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.737 6.720 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.190 5.608 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.528 4.143 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.950 4.126 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.402 5.030 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.678 2.702 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.358 3.244 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.094 2.351 4.150 1.00 0.00 H new ATOM 221 N THR A 13 12.173 2.513 1.121 1.00 0.00 N ATOM 222 CA THR A 13 12.337 1.035 1.039 1.00 0.00 C ATOM 223 C THR A 13 12.057 0.403 2.402 1.00 0.00 C ATOM 224 O THR A 13 12.042 1.063 3.423 1.00 0.00 O ATOM 225 CB THR A 13 13.773 0.699 0.609 1.00 0.00 C ATOM 226 OG1 THR A 13 13.888 0.848 -0.799 1.00 0.00 O ATOM 227 CG2 THR A 13 14.119 -0.747 1.000 1.00 0.00 C ATOM 0 H THR A 13 12.724 2.973 1.846 1.00 0.00 H new ATOM 0 HA THR A 13 11.633 0.640 0.307 1.00 0.00 H new ATOM 0 HB THR A 13 14.464 1.377 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.804 0.636 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.139 -0.974 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.034 -0.862 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.429 -1.432 0.507 1.00 0.00 H new ATOM 235 N CYS A 14 11.863 -0.884 2.414 1.00 0.00 N ATOM 236 CA CYS A 14 11.614 -1.602 3.691 1.00 0.00 C ATOM 237 C CYS A 14 12.714 -2.657 3.845 1.00 0.00 C ATOM 238 O CYS A 14 12.505 -3.817 3.554 1.00 0.00 O ATOM 239 CB CYS A 14 10.231 -2.286 3.681 1.00 0.00 C ATOM 240 SG CYS A 14 9.397 -2.049 2.083 1.00 0.00 S ATOM 0 H CYS A 14 11.867 -1.476 1.583 1.00 0.00 H new ATOM 0 HA CYS A 14 11.626 -0.897 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.347 -3.351 3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.614 -1.878 4.481 1.00 0.00 H new ATOM 245 N PRO A 15 13.867 -2.206 4.276 1.00 0.00 N ATOM 246 CA PRO A 15 15.045 -3.074 4.454 1.00 0.00 C ATOM 247 C PRO A 15 14.890 -3.938 5.703 1.00 0.00 C ATOM 248 O PRO A 15 15.052 -3.477 6.815 1.00 0.00 O ATOM 249 CB PRO A 15 16.204 -2.085 4.604 1.00 0.00 C ATOM 250 CG PRO A 15 15.577 -0.747 5.062 1.00 0.00 C ATOM 251 CD PRO A 15 14.097 -0.792 4.640 1.00 0.00 C ATOM 0 HA PRO A 15 15.194 -3.769 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 15 16.930 -2.444 5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.735 -1.962 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.669 -0.624 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.087 0.099 4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 15 13.441 -0.478 5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 15 13.902 -0.127 3.798 1.00 0.00 H new ATOM 259 N ALA A 16 14.567 -5.188 5.526 1.00 0.00 N ATOM 260 CA ALA A 16 14.389 -6.081 6.700 1.00 0.00 C ATOM 261 C ALA A 16 13.178 -5.611 7.506 1.00 0.00 C ATOM 262 O ALA A 16 12.921 -6.091 8.592 1.00 0.00 O ATOM 263 CB ALA A 16 15.643 -6.032 7.577 1.00 0.00 C ATOM 0 H ALA A 16 14.419 -5.629 4.618 1.00 0.00 H new ATOM 0 HA ALA A 16 14.229 -7.105 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.511 -6.688 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.505 -6.363 6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.807 -5.011 7.921 1.00 0.00 H new ATOM 269 N GLY A 17 12.426 -4.676 6.984 1.00 0.00 N ATOM 270 CA GLY A 17 11.233 -4.188 7.731 1.00 0.00 C ATOM 271 C GLY A 17 10.012 -5.010 7.320 1.00 0.00 C ATOM 272 O GLY A 17 9.295 -5.534 8.148 1.00 0.00 O ATOM 0 H GLY A 17 12.586 -4.233 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.400 -4.275 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.063 -3.132 7.520 1.00 0.00 H new ATOM 276 N LYS A 18 9.774 -5.130 6.043 1.00 0.00 N ATOM 277 CA LYS A 18 8.605 -5.922 5.571 1.00 0.00 C ATOM 278 C LYS A 18 9.040 -6.802 4.393 1.00 0.00 C ATOM 279 O LYS A 18 9.844 -7.699 4.554 1.00 0.00 O ATOM 280 CB LYS A 18 7.491 -4.965 5.144 1.00 0.00 C ATOM 281 CG LYS A 18 7.165 -4.016 6.300 1.00 0.00 C ATOM 282 CD LYS A 18 5.709 -4.209 6.731 1.00 0.00 C ATOM 283 CE LYS A 18 5.515 -3.646 8.141 1.00 0.00 C ATOM 284 NZ LYS A 18 4.719 -2.389 8.069 1.00 0.00 N ATOM 0 H LYS A 18 10.341 -4.712 5.305 1.00 0.00 H new ATOM 0 HA LYS A 18 8.232 -6.561 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.802 -4.396 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.602 -5.528 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.832 -4.209 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.330 -2.983 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.042 -3.705 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.450 -5.268 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.005 -4.377 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.483 -3.450 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.587 -2.006 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.223 -1.692 7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.791 -2.590 7.646 1.00 0.00 H new ATOM 298 N ASN A 19 8.533 -6.564 3.208 1.00 0.00 N ATOM 299 CA ASN A 19 8.952 -7.404 2.051 1.00 0.00 C ATOM 300 C ASN A 19 8.091 -7.086 0.825 1.00 0.00 C ATOM 301 O ASN A 19 8.604 -6.812 -0.242 1.00 0.00 O ATOM 302 CB ASN A 19 8.795 -8.883 2.409 1.00 0.00 C ATOM 303 CG ASN A 19 7.442 -9.103 3.084 1.00 0.00 C ATOM 304 OD1 ASN A 19 7.168 -8.529 4.119 1.00 0.00 O ATOM 305 ND2 ASN A 19 6.579 -9.915 2.537 1.00 0.00 N ATOM 0 H ASN A 19 7.855 -5.832 2.996 1.00 0.00 H new ATOM 0 HA ASN A 19 9.995 -7.189 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.869 -9.495 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.600 -9.195 3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.672 -10.069 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.811 -10.396 1.668 1.00 0.00 H new ATOM 312 N LEU A 20 6.791 -7.128 0.953 1.00 0.00 N ATOM 313 CA LEU A 20 5.931 -6.835 -0.231 1.00 0.00 C ATOM 314 C LEU A 20 5.422 -5.394 -0.162 1.00 0.00 C ATOM 315 O LEU A 20 5.507 -4.747 0.859 1.00 0.00 O ATOM 316 CB LEU A 20 4.743 -7.800 -0.249 1.00 0.00 C ATOM 317 CG LEU A 20 5.213 -9.174 -0.734 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.533 -10.270 0.088 1.00 0.00 C ATOM 319 CD2 LEU A 20 4.849 -9.347 -2.210 1.00 0.00 C ATOM 0 H LEU A 20 6.292 -7.350 1.815 1.00 0.00 H new ATOM 0 HA LEU A 20 6.517 -6.962 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.312 -7.882 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.960 -7.419 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 20 6.294 -9.248 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.869 -11.247 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.792 -10.150 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.452 -10.195 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.184 -10.325 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.768 -9.270 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.335 -8.569 -2.798 1.00 0.00 H new ATOM 331 N CYS A 21 4.891 -4.888 -1.243 1.00 0.00 N ATOM 332 CA CYS A 21 4.369 -3.494 -1.236 1.00 0.00 C ATOM 333 C CYS A 21 2.846 -3.539 -1.336 1.00 0.00 C ATOM 334 O CYS A 21 2.295 -3.942 -2.339 1.00 0.00 O ATOM 335 CB CYS A 21 4.943 -2.719 -2.424 1.00 0.00 C ATOM 336 SG CYS A 21 6.716 -2.450 -2.170 1.00 0.00 S ATOM 0 H CYS A 21 4.797 -5.382 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 21 4.665 -2.994 -0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.777 -3.273 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.431 -1.763 -2.530 1.00 0.00 H new ATOM 341 N TYR A 22 2.160 -3.147 -0.296 1.00 0.00 N ATOM 342 CA TYR A 22 0.672 -3.196 -0.330 1.00 0.00 C ATOM 343 C TYR A 22 0.084 -1.791 -0.482 1.00 0.00 C ATOM 344 O TYR A 22 0.691 -0.801 -0.123 1.00 0.00 O ATOM 345 CB TYR A 22 0.160 -3.830 0.969 1.00 0.00 C ATOM 346 CG TYR A 22 0.221 -2.818 2.090 1.00 0.00 C ATOM 347 CD1 TYR A 22 1.445 -2.518 2.698 1.00 0.00 C ATOM 348 CD2 TYR A 22 -0.948 -2.176 2.514 1.00 0.00 C ATOM 349 CE1 TYR A 22 1.500 -1.575 3.732 1.00 0.00 C ATOM 350 CE2 TYR A 22 -0.893 -1.235 3.548 1.00 0.00 C ATOM 351 CZ TYR A 22 0.331 -0.934 4.157 1.00 0.00 C ATOM 352 OH TYR A 22 0.384 -0.004 5.175 1.00 0.00 O ATOM 0 H TYR A 22 2.565 -2.796 0.572 1.00 0.00 H new ATOM 0 HA TYR A 22 0.359 -3.793 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.864 -4.178 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.763 -4.703 1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.347 -3.013 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.892 -2.407 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.445 -1.343 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.795 -0.741 3.876 1.00 0.00 H new ATOM 0 HH TYR A 22 1.258 0.439 5.168 1.00 0.00 H new ATOM 362 N LYS A 23 -1.110 -1.714 -1.001 1.00 0.00 N ATOM 363 CA LYS A 23 -1.781 -0.396 -1.177 1.00 0.00 C ATOM 364 C LYS A 23 -3.238 -0.531 -0.726 1.00 0.00 C ATOM 365 O LYS A 23 -3.982 -1.340 -1.240 1.00 0.00 O ATOM 366 CB LYS A 23 -1.728 0.010 -2.653 1.00 0.00 C ATOM 367 CG LYS A 23 -2.673 1.187 -2.898 1.00 0.00 C ATOM 368 CD LYS A 23 -2.535 1.658 -4.347 1.00 0.00 C ATOM 369 CE LYS A 23 -3.003 0.551 -5.294 1.00 0.00 C ATOM 370 NZ LYS A 23 -3.814 1.148 -6.393 1.00 0.00 N ATOM 0 H LYS A 23 -1.655 -2.517 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.278 0.367 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.710 0.285 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.011 -0.833 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.702 0.889 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.439 2.004 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.127 2.560 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.498 1.917 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.143 0.023 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.595 -0.183 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.133 0.396 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.641 1.632 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.235 1.833 -6.920 1.00 0.00 H new ATOM 384 N MET A 24 -3.654 0.242 0.237 1.00 0.00 N ATOM 385 CA MET A 24 -5.059 0.131 0.717 1.00 0.00 C ATOM 386 C MET A 24 -5.851 1.349 0.262 1.00 0.00 C ATOM 387 O MET A 24 -5.559 2.466 0.640 1.00 0.00 O ATOM 388 CB MET A 24 -5.075 0.056 2.245 1.00 0.00 C ATOM 389 CG MET A 24 -5.377 -1.377 2.683 1.00 0.00 C ATOM 390 SD MET A 24 -5.928 -1.377 4.407 1.00 0.00 S ATOM 391 CE MET A 24 -4.654 -0.266 5.052 1.00 0.00 C ATOM 0 H MET A 24 -3.085 0.943 0.711 1.00 0.00 H new ATOM 0 HA MET A 24 -5.510 -0.771 0.304 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.112 0.374 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.827 0.736 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.147 -1.809 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.487 -1.997 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.345 -0.602 6.042 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.794 -0.271 4.382 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.054 0.745 5.121 1.00 0.00 H new ATOM 401 N PHE A 25 -6.853 1.141 -0.546 1.00 0.00 N ATOM 402 CA PHE A 25 -7.670 2.289 -1.029 1.00 0.00 C ATOM 403 C PHE A 25 -9.129 2.081 -0.625 1.00 0.00 C ATOM 404 O PHE A 25 -9.631 0.976 -0.630 1.00 0.00 O ATOM 405 CB PHE A 25 -7.575 2.383 -2.554 1.00 0.00 C ATOM 406 CG PHE A 25 -7.564 0.997 -3.151 1.00 0.00 C ATOM 407 CD1 PHE A 25 -6.408 0.211 -3.071 1.00 0.00 C ATOM 408 CD2 PHE A 25 -8.706 0.499 -3.788 1.00 0.00 C ATOM 409 CE1 PHE A 25 -6.395 -1.074 -3.627 1.00 0.00 C ATOM 410 CE2 PHE A 25 -8.693 -0.785 -4.345 1.00 0.00 C ATOM 411 CZ PHE A 25 -7.538 -1.572 -4.264 1.00 0.00 C ATOM 0 H PHE A 25 -7.141 0.226 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.295 3.211 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.419 2.951 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.670 2.919 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.526 0.596 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.598 1.105 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.504 -1.681 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.574 -1.169 -4.837 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.529 -2.563 -4.693 1.00 0.00 H new ATOM 421 N MET A 26 -9.817 3.133 -0.280 1.00 0.00 N ATOM 422 CA MET A 26 -11.243 2.988 0.117 1.00 0.00 C ATOM 423 C MET A 26 -12.133 3.347 -1.076 1.00 0.00 C ATOM 424 O MET A 26 -11.793 4.192 -1.891 1.00 0.00 O ATOM 425 CB MET A 26 -11.548 3.925 1.288 1.00 0.00 C ATOM 426 CG MET A 26 -11.129 5.352 0.927 1.00 0.00 C ATOM 427 SD MET A 26 -11.803 6.503 2.150 1.00 0.00 S ATOM 428 CE MET A 26 -10.352 7.577 2.278 1.00 0.00 C ATOM 0 H MET A 26 -9.453 4.086 -0.256 1.00 0.00 H new ATOM 0 HA MET A 26 -11.437 1.960 0.423 1.00 0.00 H new ATOM 0 HB2 MET A 26 -12.612 3.896 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.016 3.594 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.042 5.428 0.900 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.491 5.608 -0.069 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.997 7.588 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.563 7.202 1.626 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.621 8.589 1.977 1.00 0.00 H new ATOM 438 N VAL A 27 -13.265 2.700 -1.189 1.00 0.00 N ATOM 439 CA VAL A 27 -14.179 2.986 -2.330 1.00 0.00 C ATOM 440 C VAL A 27 -15.634 2.978 -1.850 1.00 0.00 C ATOM 441 O VAL A 27 -16.539 2.671 -2.600 1.00 0.00 O ATOM 442 CB VAL A 27 -13.992 1.918 -3.410 1.00 0.00 C ATOM 443 CG1 VAL A 27 -14.626 0.603 -2.949 1.00 0.00 C ATOM 444 CG2 VAL A 27 -14.667 2.382 -4.703 1.00 0.00 C ATOM 0 H VAL A 27 -13.594 1.986 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.944 3.968 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.928 1.763 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.491 -0.156 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.148 0.272 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.691 0.755 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.536 1.623 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.731 2.536 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.216 3.318 -5.034 1.00 0.00 H new ATOM 454 N ALA A 28 -15.874 3.325 -0.612 1.00 0.00 N ATOM 455 CA ALA A 28 -17.280 3.348 -0.109 1.00 0.00 C ATOM 456 C ALA A 28 -18.157 4.053 -1.145 1.00 0.00 C ATOM 457 O ALA A 28 -19.343 3.814 -1.245 1.00 0.00 O ATOM 458 CB ALA A 28 -17.342 4.109 1.217 1.00 0.00 C ATOM 0 H ALA A 28 -15.163 3.592 0.068 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.634 2.329 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.369 4.123 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.705 3.615 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.996 5.132 1.066 1.00 0.00 H new ATOM 464 N THR A 29 -17.563 4.910 -1.926 1.00 0.00 N ATOM 465 CA THR A 29 -18.321 5.635 -2.981 1.00 0.00 C ATOM 466 C THR A 29 -17.317 6.191 -3.999 1.00 0.00 C ATOM 467 O THR A 29 -17.389 5.852 -5.163 1.00 0.00 O ATOM 468 CB THR A 29 -19.179 6.764 -2.379 1.00 0.00 C ATOM 469 OG1 THR A 29 -18.816 8.008 -2.962 1.00 0.00 O ATOM 470 CG2 THR A 29 -18.993 6.824 -0.859 1.00 0.00 C ATOM 0 H THR A 29 -16.571 5.142 -1.877 1.00 0.00 H new ATOM 0 HA THR A 29 -19.008 4.947 -3.475 1.00 0.00 H new ATOM 0 HB THR A 29 -20.228 6.560 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.366 8.722 -2.577 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.606 7.627 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.296 5.875 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.945 7.014 -0.628 1.00 0.00 H new ATOM 478 N PRO A 30 -16.383 7.002 -3.542 1.00 0.00 N ATOM 479 CA PRO A 30 -15.348 7.560 -4.425 1.00 0.00 C ATOM 480 C PRO A 30 -14.230 6.528 -4.608 1.00 0.00 C ATOM 481 O PRO A 30 -14.371 5.377 -4.244 1.00 0.00 O ATOM 482 CB PRO A 30 -14.831 8.777 -3.657 1.00 0.00 C ATOM 483 CG PRO A 30 -15.164 8.525 -2.168 1.00 0.00 C ATOM 484 CD PRO A 30 -16.268 7.450 -2.132 1.00 0.00 C ATOM 0 HA PRO A 30 -15.715 7.820 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.757 8.899 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.306 9.691 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.280 8.189 -1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.503 9.443 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.000 6.625 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.210 7.858 -1.765 1.00 0.00 H new ATOM 492 N LYS A 31 -13.117 6.927 -5.155 1.00 0.00 N ATOM 493 CA LYS A 31 -11.992 5.967 -5.343 1.00 0.00 C ATOM 494 C LYS A 31 -10.700 6.621 -4.852 1.00 0.00 C ATOM 495 O LYS A 31 -10.177 7.519 -5.482 1.00 0.00 O ATOM 496 CB LYS A 31 -11.853 5.615 -6.828 1.00 0.00 C ATOM 497 CG LYS A 31 -13.235 5.353 -7.436 1.00 0.00 C ATOM 498 CD LYS A 31 -13.419 6.217 -8.686 1.00 0.00 C ATOM 499 CE LYS A 31 -13.664 5.317 -9.899 1.00 0.00 C ATOM 500 NZ LYS A 31 -15.108 4.955 -9.965 1.00 0.00 N ATOM 0 H LYS A 31 -12.936 7.877 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.188 5.056 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.362 6.430 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.223 4.733 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.336 4.298 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.013 5.580 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.259 6.898 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.534 6.832 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.365 5.830 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.055 4.416 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.275 4.343 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.379 4.449 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.679 5.820 -10.054 1.00 0.00 H new ATOM 514 N VAL A 32 -10.179 6.196 -3.728 1.00 0.00 N ATOM 515 CA VAL A 32 -8.923 6.830 -3.223 1.00 0.00 C ATOM 516 C VAL A 32 -8.083 5.814 -2.440 1.00 0.00 C ATOM 517 O VAL A 32 -8.588 4.803 -2.001 1.00 0.00 O ATOM 518 CB VAL A 32 -9.283 8.000 -2.304 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.930 9.117 -3.123 1.00 0.00 C ATOM 520 CG2 VAL A 32 -10.265 7.522 -1.232 1.00 0.00 C ATOM 0 H VAL A 32 -10.561 5.450 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.342 7.185 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.378 8.378 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.185 9.949 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.232 9.459 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.835 8.741 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.522 8.354 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.169 7.143 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.804 6.727 -0.645 1.00 0.00 H new ATOM 530 N PRO A 33 -6.817 6.128 -2.285 1.00 0.00 N ATOM 531 CA PRO A 33 -5.863 5.278 -1.547 1.00 0.00 C ATOM 532 C PRO A 33 -6.019 5.496 -0.041 1.00 0.00 C ATOM 533 O PRO A 33 -6.882 6.225 0.403 1.00 0.00 O ATOM 534 CB PRO A 33 -4.496 5.773 -2.026 1.00 0.00 C ATOM 535 CG PRO A 33 -4.712 7.214 -2.546 1.00 0.00 C ATOM 536 CD PRO A 33 -6.218 7.360 -2.840 1.00 0.00 C ATOM 0 HA PRO A 33 -6.011 4.212 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.771 5.758 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.104 5.130 -2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.390 7.945 -1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.123 7.393 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.631 8.251 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.408 7.448 -3.910 1.00 0.00 H new ATOM 544 N VAL A 34 -5.193 4.867 0.746 1.00 0.00 N ATOM 545 CA VAL A 34 -5.298 5.035 2.220 1.00 0.00 C ATOM 546 C VAL A 34 -3.968 4.665 2.874 1.00 0.00 C ATOM 547 O VAL A 34 -3.534 5.298 3.816 1.00 0.00 O ATOM 548 CB VAL A 34 -6.406 4.126 2.760 1.00 0.00 C ATOM 549 CG1 VAL A 34 -6.586 4.375 4.258 1.00 0.00 C ATOM 550 CG2 VAL A 34 -7.717 4.435 2.032 1.00 0.00 C ATOM 0 H VAL A 34 -4.449 4.244 0.432 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.536 6.073 2.450 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.133 3.084 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.375 3.728 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.653 4.158 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.859 5.417 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.507 3.789 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.988 5.478 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.590 4.259 0.964 1.00 0.00 H new ATOM 560 N LYS A 35 -3.314 3.647 2.388 1.00 0.00 N ATOM 561 CA LYS A 35 -2.011 3.252 3.000 1.00 0.00 C ATOM 562 C LYS A 35 -1.165 2.466 1.993 1.00 0.00 C ATOM 563 O LYS A 35 -1.353 1.282 1.801 1.00 0.00 O ATOM 564 CB LYS A 35 -2.270 2.376 4.228 1.00 0.00 C ATOM 565 CG LYS A 35 -2.560 3.262 5.442 1.00 0.00 C ATOM 566 CD LYS A 35 -2.692 2.389 6.693 1.00 0.00 C ATOM 567 CE LYS A 35 -4.166 2.277 7.086 1.00 0.00 C ATOM 568 NZ LYS A 35 -4.388 0.993 7.812 1.00 0.00 N ATOM 0 H LYS A 35 -3.620 3.075 1.601 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.473 4.154 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.113 1.711 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.404 1.744 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.758 3.988 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.478 3.827 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.279 1.398 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.118 2.821 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.451 3.119 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.795 2.319 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.275 0.558 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.596 0.346 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.449 1.178 8.834 1.00 0.00 H new ATOM 582 N ARG A 36 -0.222 3.112 1.364 1.00 0.00 N ATOM 583 CA ARG A 36 0.646 2.398 0.386 1.00 0.00 C ATOM 584 C ARG A 36 2.047 2.244 0.983 1.00 0.00 C ATOM 585 O ARG A 36 2.810 3.187 1.048 1.00 0.00 O ATOM 586 CB ARG A 36 0.729 3.203 -0.912 1.00 0.00 C ATOM 587 CG ARG A 36 -0.651 3.770 -1.251 1.00 0.00 C ATOM 588 CD ARG A 36 -0.748 4.008 -2.759 1.00 0.00 C ATOM 589 NE ARG A 36 -0.046 5.275 -3.108 1.00 0.00 N ATOM 590 CZ ARG A 36 0.044 5.650 -4.355 1.00 0.00 C ATOM 591 NH1 ARG A 36 -1.039 5.838 -5.059 1.00 0.00 N ATOM 592 NH2 ARG A 36 1.215 5.839 -4.898 1.00 0.00 N ATOM 0 H ARG A 36 -0.015 4.103 1.485 1.00 0.00 H new ATOM 0 HA ARG A 36 0.226 1.415 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.450 4.013 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.082 2.568 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.429 3.077 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.814 4.704 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.303 3.172 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.793 4.063 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 36 0.364 5.850 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.955 5.692 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.969 6.131 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.062 5.694 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.284 6.132 -5.873 1.00 0.00 H new ATOM 606 N GLY A 37 2.391 1.064 1.424 1.00 0.00 N ATOM 607 CA GLY A 37 3.743 0.859 2.020 1.00 0.00 C ATOM 608 C GLY A 37 4.154 -0.606 1.865 1.00 0.00 C ATOM 609 O GLY A 37 3.928 -1.218 0.841 1.00 0.00 O ATOM 0 H GLY A 37 1.797 0.235 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.470 1.505 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.733 1.135 3.074 1.00 0.00 H new ATOM 613 N CYS A 38 4.759 -1.176 2.873 1.00 0.00 N ATOM 614 CA CYS A 38 5.181 -2.600 2.769 1.00 0.00 C ATOM 615 C CYS A 38 4.345 -3.460 3.717 1.00 0.00 C ATOM 616 O CYS A 38 3.705 -2.963 4.622 1.00 0.00 O ATOM 617 CB CYS A 38 6.654 -2.735 3.149 1.00 0.00 C ATOM 618 SG CYS A 38 7.582 -1.298 2.561 1.00 0.00 S ATOM 0 H CYS A 38 4.978 -0.719 3.758 1.00 0.00 H new ATOM 0 HA CYS A 38 5.034 -2.934 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.752 -2.823 4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.067 -3.646 2.717 1.00 0.00 H new ATOM 623 N ILE A 39 4.349 -4.750 3.516 1.00 0.00 N ATOM 624 CA ILE A 39 3.569 -5.645 4.394 1.00 0.00 C ATOM 625 C ILE A 39 4.165 -7.053 4.320 1.00 0.00 C ATOM 626 O ILE A 39 4.757 -7.438 3.324 1.00 0.00 O ATOM 627 CB ILE A 39 2.112 -5.659 3.924 1.00 0.00 C ATOM 628 CG1 ILE A 39 1.213 -6.084 5.080 1.00 0.00 C ATOM 629 CG2 ILE A 39 1.935 -6.633 2.755 1.00 0.00 C ATOM 630 CD1 ILE A 39 -0.098 -5.310 4.994 1.00 0.00 C ATOM 0 H ILE A 39 4.866 -5.219 2.772 1.00 0.00 H new ATOM 0 HA ILE A 39 3.606 -5.294 5.425 1.00 0.00 H new ATOM 0 HB ILE A 39 1.839 -4.658 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.022 -7.156 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.705 -5.888 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.893 -6.630 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.572 -6.325 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.214 -7.638 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.750 -5.606 5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.106 -4.241 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.588 -5.529 4.046 1.00 0.00 H new ATOM 642 N ASP A 40 4.005 -7.824 5.358 1.00 0.00 N ATOM 643 CA ASP A 40 4.543 -9.209 5.347 1.00 0.00 C ATOM 644 C ASP A 40 3.407 -10.176 5.023 1.00 0.00 C ATOM 645 O ASP A 40 3.621 -11.354 4.814 1.00 0.00 O ATOM 646 CB ASP A 40 5.127 -9.547 6.720 1.00 0.00 C ATOM 647 CG ASP A 40 6.444 -10.304 6.539 1.00 0.00 C ATOM 648 OD1 ASP A 40 6.566 -11.012 5.553 1.00 0.00 O ATOM 649 OD2 ASP A 40 7.308 -10.161 7.388 1.00 0.00 O ATOM 0 H ASP A 40 3.523 -7.553 6.215 1.00 0.00 H new ATOM 0 HA ASP A 40 5.328 -9.293 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.295 -8.634 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.422 -10.153 7.288 1.00 0.00 H new ATOM 654 N VAL A 41 2.200 -9.679 4.972 1.00 0.00 N ATOM 655 CA VAL A 41 1.033 -10.554 4.659 1.00 0.00 C ATOM 656 C VAL A 41 -0.154 -9.678 4.260 1.00 0.00 C ATOM 657 O VAL A 41 -0.814 -9.098 5.100 1.00 0.00 O ATOM 658 CB VAL A 41 0.650 -11.374 5.895 1.00 0.00 C ATOM 659 CG1 VAL A 41 -0.638 -12.148 5.610 1.00 0.00 C ATOM 660 CG2 VAL A 41 1.768 -12.363 6.232 1.00 0.00 C ATOM 0 H VAL A 41 1.971 -8.698 5.135 1.00 0.00 H new ATOM 0 HA VAL A 41 1.297 -11.228 3.844 1.00 0.00 H new ATOM 0 HB VAL A 41 0.499 -10.701 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.913 -12.733 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.439 -11.447 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.481 -12.817 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.488 -12.942 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.925 -13.036 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.689 -11.816 6.435 1.00 0.00 H new ATOM 670 N CYS A 42 -0.433 -9.573 2.990 1.00 0.00 N ATOM 671 CA CYS A 42 -1.582 -8.730 2.552 1.00 0.00 C ATOM 672 C CYS A 42 -2.783 -9.010 3.465 1.00 0.00 C ATOM 673 O CYS A 42 -3.133 -10.153 3.681 1.00 0.00 O ATOM 674 CB CYS A 42 -1.953 -9.076 1.105 1.00 0.00 C ATOM 675 SG CYS A 42 -0.458 -9.106 0.084 1.00 0.00 S ATOM 0 H CYS A 42 0.082 -10.032 2.239 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.307 -7.677 2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.450 -10.045 1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.658 -8.342 0.714 1.00 0.00 H new ATOM 680 N PRO A 43 -3.380 -7.962 3.978 1.00 0.00 N ATOM 681 CA PRO A 43 -4.544 -8.079 4.874 1.00 0.00 C ATOM 682 C PRO A 43 -5.803 -8.390 4.061 1.00 0.00 C ATOM 683 O PRO A 43 -5.725 -8.796 2.920 1.00 0.00 O ATOM 684 CB PRO A 43 -4.637 -6.697 5.527 1.00 0.00 C ATOM 685 CG PRO A 43 -3.903 -5.717 4.581 1.00 0.00 C ATOM 686 CD PRO A 43 -2.959 -6.570 3.712 1.00 0.00 C ATOM 0 HA PRO A 43 -4.448 -8.880 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.677 -6.401 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.176 -6.702 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.614 -5.171 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.342 -4.976 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.055 -6.320 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.915 -6.411 3.983 1.00 0.00 H new ATOM 694 N LYS A 44 -6.961 -8.203 4.632 1.00 0.00 N ATOM 695 CA LYS A 44 -8.213 -8.488 3.876 1.00 0.00 C ATOM 696 C LYS A 44 -9.025 -7.200 3.736 1.00 0.00 C ATOM 697 O LYS A 44 -8.642 -6.156 4.226 1.00 0.00 O ATOM 698 CB LYS A 44 -9.048 -9.530 4.625 1.00 0.00 C ATOM 699 CG LYS A 44 -8.159 -10.700 5.048 1.00 0.00 C ATOM 700 CD LYS A 44 -8.792 -11.411 6.246 1.00 0.00 C ATOM 701 CE LYS A 44 -8.298 -10.764 7.541 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.244 -11.083 8.647 1.00 0.00 N ATOM 0 H LYS A 44 -7.094 -7.867 5.586 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.955 -8.873 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.510 -9.077 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.857 -9.888 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.038 -11.398 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.164 -10.339 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.879 -11.349 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.532 -12.470 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.300 -11.129 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.221 -9.684 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.909 -10.643 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.188 -10.714 8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.296 -12.114 8.773 1.00 0.00 H new ATOM 716 N SER A 45 -10.148 -7.266 3.075 1.00 0.00 N ATOM 717 CA SER A 45 -10.987 -6.046 2.910 1.00 0.00 C ATOM 718 C SER A 45 -11.816 -5.835 4.178 1.00 0.00 C ATOM 719 O SER A 45 -11.813 -6.655 5.074 1.00 0.00 O ATOM 720 CB SER A 45 -11.921 -6.224 1.713 1.00 0.00 C ATOM 721 OG SER A 45 -11.807 -5.096 0.856 1.00 0.00 O ATOM 0 H SER A 45 -10.520 -8.111 2.642 1.00 0.00 H new ATOM 0 HA SER A 45 -10.347 -5.180 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.666 -7.134 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.951 -6.334 2.054 1.00 0.00 H new ATOM 0 HG SER A 45 -11.667 -4.289 1.394 1.00 0.00 H new ATOM 727 N SER A 46 -12.530 -4.747 4.262 1.00 0.00 N ATOM 728 CA SER A 46 -13.358 -4.498 5.476 1.00 0.00 C ATOM 729 C SER A 46 -14.698 -3.883 5.066 1.00 0.00 C ATOM 730 O SER A 46 -15.267 -3.085 5.784 1.00 0.00 O ATOM 731 CB SER A 46 -12.620 -3.545 6.416 1.00 0.00 C ATOM 732 OG SER A 46 -11.369 -3.192 5.843 1.00 0.00 O ATOM 0 H SER A 46 -12.576 -4.022 3.546 1.00 0.00 H new ATOM 0 HA SER A 46 -13.537 -5.442 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.219 -2.651 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.468 -4.019 7.386 1.00 0.00 H new ATOM 0 HG SER A 46 -10.829 -2.713 6.506 1.00 0.00 H new ATOM 738 N LEU A 47 -15.203 -4.254 3.916 1.00 0.00 N ATOM 739 CA LEU A 47 -16.513 -3.708 3.444 1.00 0.00 C ATOM 740 C LEU A 47 -16.314 -2.342 2.777 1.00 0.00 C ATOM 741 O LEU A 47 -17.132 -1.907 1.991 1.00 0.00 O ATOM 742 CB LEU A 47 -17.471 -3.558 4.629 1.00 0.00 C ATOM 743 CG LEU A 47 -18.852 -4.085 4.240 1.00 0.00 C ATOM 744 CD1 LEU A 47 -19.104 -5.421 4.942 1.00 0.00 C ATOM 745 CD2 LEU A 47 -19.920 -3.076 4.667 1.00 0.00 C ATOM 0 H LEU A 47 -14.761 -4.917 3.279 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.935 -4.401 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.090 -4.107 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.540 -2.511 4.924 1.00 0.00 H new ATOM 0 HG LEU A 47 -18.896 -4.228 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.089 -5.797 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.343 -6.140 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.061 -5.279 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.906 -3.450 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -19.876 -2.934 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.741 -2.123 4.168 1.00 0.00 H new ATOM 757 N LEU A 48 -15.242 -1.659 3.077 1.00 0.00 N ATOM 758 CA LEU A 48 -15.016 -0.325 2.451 1.00 0.00 C ATOM 759 C LEU A 48 -13.516 -0.037 2.381 1.00 0.00 C ATOM 760 O LEU A 48 -13.041 0.957 2.893 1.00 0.00 O ATOM 761 CB LEU A 48 -15.701 0.754 3.293 1.00 0.00 C ATOM 762 CG LEU A 48 -15.404 0.512 4.774 1.00 0.00 C ATOM 763 CD1 LEU A 48 -14.790 1.772 5.385 1.00 0.00 C ATOM 764 CD2 LEU A 48 -16.706 0.175 5.504 1.00 0.00 C ATOM 0 H LEU A 48 -14.516 -1.965 3.725 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.432 -0.323 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.346 1.741 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.777 0.737 3.120 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.704 -0.317 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.579 1.599 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.864 2.015 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.489 2.602 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.497 0.002 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.405 1.005 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.145 -0.723 5.069 1.00 0.00 H new ATOM 776 N VAL A 49 -12.766 -0.897 1.749 1.00 0.00 N ATOM 777 CA VAL A 49 -11.298 -0.671 1.647 1.00 0.00 C ATOM 778 C VAL A 49 -10.631 -1.922 1.077 1.00 0.00 C ATOM 779 O VAL A 49 -10.550 -2.946 1.725 1.00 0.00 O ATOM 780 CB VAL A 49 -10.731 -0.376 3.038 1.00 0.00 C ATOM 781 CG1 VAL A 49 -11.287 -1.393 4.032 1.00 0.00 C ATOM 782 CG2 VAL A 49 -9.203 -0.479 3.007 1.00 0.00 C ATOM 0 H VAL A 49 -13.107 -1.746 1.299 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.103 0.176 0.989 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.017 0.631 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.887 -1.188 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.374 -1.320 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.998 -2.398 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.804 -0.268 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.912 -1.485 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.804 0.243 2.295 1.00 0.00 H new ATOM 792 N LYS A 50 -10.150 -1.844 -0.131 1.00 0.00 N ATOM 793 CA LYS A 50 -9.486 -3.023 -0.747 1.00 0.00 C ATOM 794 C LYS A 50 -7.970 -2.865 -0.622 1.00 0.00 C ATOM 795 O LYS A 50 -7.470 -1.802 -0.308 1.00 0.00 O ATOM 796 CB LYS A 50 -9.873 -3.109 -2.223 1.00 0.00 C ATOM 797 CG LYS A 50 -11.359 -2.780 -2.381 1.00 0.00 C ATOM 798 CD LYS A 50 -11.823 -3.175 -3.784 1.00 0.00 C ATOM 799 CE LYS A 50 -13.336 -3.399 -3.775 1.00 0.00 C ATOM 800 NZ LYS A 50 -13.728 -4.185 -4.979 1.00 0.00 N ATOM 0 H LYS A 50 -10.189 -1.012 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.802 -3.934 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.271 -2.414 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.668 -4.109 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.942 -3.313 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.526 -1.715 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.564 -2.393 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.312 -4.082 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.631 -3.929 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.856 -2.441 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.757 -4.338 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.460 -3.662 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.241 -5.104 -4.967 1.00 0.00 H new ATOM 814 N TYR A 51 -7.234 -3.915 -0.859 1.00 0.00 N ATOM 815 CA TYR A 51 -5.751 -3.827 -0.744 1.00 0.00 C ATOM 816 C TYR A 51 -5.095 -4.545 -1.926 1.00 0.00 C ATOM 817 O TYR A 51 -5.578 -5.553 -2.401 1.00 0.00 O ATOM 818 CB TYR A 51 -5.308 -4.497 0.556 1.00 0.00 C ATOM 819 CG TYR A 51 -5.825 -5.915 0.580 1.00 0.00 C ATOM 820 CD1 TYR A 51 -7.187 -6.159 0.789 1.00 0.00 C ATOM 821 CD2 TYR A 51 -4.944 -6.985 0.385 1.00 0.00 C ATOM 822 CE1 TYR A 51 -7.669 -7.473 0.805 1.00 0.00 C ATOM 823 CE2 TYR A 51 -5.425 -8.300 0.400 1.00 0.00 C ATOM 824 CZ TYR A 51 -6.788 -8.543 0.609 1.00 0.00 C ATOM 825 OH TYR A 51 -7.264 -9.838 0.626 1.00 0.00 O ATOM 0 H TYR A 51 -7.595 -4.830 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.451 -2.779 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.221 -4.492 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.689 -3.943 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.867 -5.333 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.893 -6.796 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.720 -7.661 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.745 -9.126 0.251 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.523 -10.461 0.473 1.00 0.00 H new ATOM 835 N VAL A 52 -3.990 -4.035 -2.393 1.00 0.00 N ATOM 836 CA VAL A 52 -3.285 -4.683 -3.534 1.00 0.00 C ATOM 837 C VAL A 52 -1.789 -4.738 -3.219 1.00 0.00 C ATOM 838 O VAL A 52 -1.172 -3.734 -2.929 1.00 0.00 O ATOM 839 CB VAL A 52 -3.512 -3.866 -4.807 1.00 0.00 C ATOM 840 CG1 VAL A 52 -2.539 -4.328 -5.892 1.00 0.00 C ATOM 841 CG2 VAL A 52 -4.948 -4.072 -5.293 1.00 0.00 C ATOM 0 H VAL A 52 -3.542 -3.193 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.670 -5.692 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.345 -2.810 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.702 -3.745 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.515 -4.185 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.706 -5.384 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.112 -3.491 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.113 -5.129 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.644 -3.744 -4.521 1.00 0.00 H new ATOM 851 N CYS A 53 -1.200 -5.899 -3.268 1.00 0.00 N ATOM 852 CA CYS A 53 0.257 -6.001 -2.961 1.00 0.00 C ATOM 853 C CYS A 53 1.045 -6.160 -4.263 1.00 0.00 C ATOM 854 O CYS A 53 0.495 -6.460 -5.304 1.00 0.00 O ATOM 855 CB CYS A 53 0.555 -7.203 -2.042 1.00 0.00 C ATOM 856 SG CYS A 53 -0.966 -8.082 -1.582 1.00 0.00 S ATOM 0 H CYS A 53 -1.659 -6.778 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 53 0.557 -5.089 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.234 -7.889 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.063 -6.857 -1.142 1.00 0.00 H new ATOM 861 N CYS A 54 2.334 -5.960 -4.207 1.00 0.00 N ATOM 862 CA CYS A 54 3.173 -6.098 -5.430 1.00 0.00 C ATOM 863 C CYS A 54 4.610 -6.414 -5.011 1.00 0.00 C ATOM 864 O CYS A 54 5.153 -5.799 -4.114 1.00 0.00 O ATOM 865 CB CYS A 54 3.148 -4.786 -6.220 1.00 0.00 C ATOM 866 SG CYS A 54 3.990 -5.018 -7.807 1.00 0.00 S ATOM 0 H CYS A 54 2.844 -5.705 -3.361 1.00 0.00 H new ATOM 0 HA CYS A 54 2.784 -6.901 -6.056 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.118 -4.469 -6.386 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.637 -3.996 -5.649 1.00 0.00 H new ATOM 871 N ASN A 55 5.229 -7.369 -5.646 1.00 0.00 N ATOM 872 CA ASN A 55 6.627 -7.721 -5.273 1.00 0.00 C ATOM 873 C ASN A 55 7.532 -7.576 -6.496 1.00 0.00 C ATOM 874 O ASN A 55 7.861 -8.541 -7.155 1.00 0.00 O ATOM 875 CB ASN A 55 6.675 -9.164 -4.772 1.00 0.00 C ATOM 876 CG ASN A 55 7.562 -9.244 -3.529 1.00 0.00 C ATOM 877 OD1 ASN A 55 7.668 -8.291 -2.783 1.00 0.00 O ATOM 878 ND2 ASN A 55 8.208 -10.348 -3.273 1.00 0.00 N ATOM 0 H ASN A 55 4.829 -7.920 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 55 6.971 -7.052 -4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.669 -9.512 -4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.064 -9.818 -5.552 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.802 -10.411 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.119 -11.148 -3.899 1.00 0.00 H new ATOM 885 N THR A 56 7.938 -6.376 -6.802 1.00 0.00 N ATOM 886 CA THR A 56 8.822 -6.167 -7.980 1.00 0.00 C ATOM 887 C THR A 56 9.672 -4.915 -7.758 1.00 0.00 C ATOM 888 O THR A 56 10.798 -4.989 -7.308 1.00 0.00 O ATOM 889 CB THR A 56 7.964 -5.990 -9.235 1.00 0.00 C ATOM 890 OG1 THR A 56 7.256 -7.194 -9.495 1.00 0.00 O ATOM 891 CG2 THR A 56 8.862 -5.655 -10.427 1.00 0.00 C ATOM 0 H THR A 56 7.695 -5.530 -6.286 1.00 0.00 H new ATOM 0 HA THR A 56 9.474 -7.031 -8.107 1.00 0.00 H new ATOM 0 HB THR A 56 7.255 -5.177 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.705 -7.082 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.250 -5.529 -11.320 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.404 -4.731 -10.226 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.573 -6.466 -10.586 1.00 0.00 H new ATOM 899 N ASP A 57 9.140 -3.766 -8.068 1.00 0.00 N ATOM 900 CA ASP A 57 9.913 -2.508 -7.873 1.00 0.00 C ATOM 901 C ASP A 57 9.221 -1.372 -8.626 1.00 0.00 C ATOM 902 O ASP A 57 8.944 -1.475 -9.804 1.00 0.00 O ATOM 903 CB ASP A 57 11.333 -2.688 -8.413 1.00 0.00 C ATOM 904 CG ASP A 57 12.339 -2.480 -7.279 1.00 0.00 C ATOM 905 OD1 ASP A 57 12.609 -3.437 -6.570 1.00 0.00 O ATOM 906 OD2 ASP A 57 12.821 -1.369 -7.138 1.00 0.00 O ATOM 0 H ASP A 57 8.202 -3.644 -8.449 1.00 0.00 H new ATOM 0 HA ASP A 57 9.960 -2.270 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.448 -3.685 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.521 -1.976 -9.216 1.00 0.00 H new ATOM 911 N ARG A 58 8.937 -0.288 -7.958 1.00 0.00 N ATOM 912 CA ARG A 58 8.262 0.848 -8.644 1.00 0.00 C ATOM 913 C ARG A 58 6.912 0.378 -9.192 1.00 0.00 C ATOM 914 O ARG A 58 6.306 1.029 -10.020 1.00 0.00 O ATOM 915 CB ARG A 58 9.140 1.337 -9.798 1.00 0.00 C ATOM 916 CG ARG A 58 8.959 2.846 -9.976 1.00 0.00 C ATOM 917 CD ARG A 58 10.272 3.465 -10.460 1.00 0.00 C ATOM 918 NE ARG A 58 10.504 3.085 -11.882 1.00 0.00 N ATOM 919 CZ ARG A 58 11.147 3.897 -12.677 1.00 0.00 C ATOM 920 NH1 ARG A 58 10.869 5.172 -12.672 1.00 0.00 N ATOM 921 NH2 ARG A 58 12.068 3.434 -13.476 1.00 0.00 N ATOM 0 H ARG A 58 9.143 -0.140 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 58 8.104 1.663 -7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.186 1.107 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.872 0.817 -10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.164 3.045 -10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.657 3.300 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.232 4.550 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.100 3.120 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 58 10.161 2.191 -12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.149 5.535 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.372 5.806 -13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.286 2.438 -13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.570 4.068 -14.097 1.00 0.00 H new ATOM 935 N CYS A 59 6.436 -0.749 -8.735 1.00 0.00 N ATOM 936 CA CYS A 59 5.126 -1.263 -9.228 1.00 0.00 C ATOM 937 C CYS A 59 4.033 -0.957 -8.201 1.00 0.00 C ATOM 938 O CYS A 59 2.876 -1.268 -8.403 1.00 0.00 O ATOM 939 CB CYS A 59 5.216 -2.776 -9.432 1.00 0.00 C ATOM 940 SG CYS A 59 5.418 -3.588 -7.827 1.00 0.00 S ATOM 0 H CYS A 59 6.898 -1.336 -8.041 1.00 0.00 H new ATOM 0 HA CYS A 59 4.883 -0.779 -10.174 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.316 -3.142 -9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.057 -3.017 -10.082 1.00 0.00 H new ATOM 945 N ASN A 60 4.388 -0.354 -7.100 1.00 0.00 N ATOM 946 CA ASN A 60 3.365 -0.035 -6.065 1.00 0.00 C ATOM 947 C ASN A 60 3.529 1.417 -5.611 1.00 0.00 C ATOM 948 O ASN A 60 3.214 2.300 -6.392 1.00 0.00 O ATOM 949 CB ASN A 60 3.548 -0.968 -4.866 1.00 0.00 C ATOM 950 CG ASN A 60 2.222 -1.099 -4.114 1.00 0.00 C ATOM 951 OD1 ASN A 60 1.296 -1.720 -4.597 1.00 0.00 O ATOM 952 ND2 ASN A 60 2.092 -0.537 -2.944 1.00 0.00 N ATOM 953 OXT ASN A 60 3.965 1.621 -4.490 1.00 0.00 O ATOM 0 H ASN A 60 5.341 -0.069 -6.873 1.00 0.00 H new ATOM 0 HA ASN A 60 2.369 -0.171 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.886 -1.948 -5.203 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.318 -0.577 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.213 -0.619 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.870 -0.016 -2.539 1.00 0.00 H new TER 960 ASN A 60