USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 -120:sc= -1.7 (180deg=-8.08!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.0233 USER MOD Set 2.1: A 1 LEU N :NH3+ -116:sc= 0.965 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= 0.285 K(o=1.2,f=-7.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.23 K(o=-3.2,f=-11!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -105:sc= 1.21 (180deg=-1.33) USER MOD Single : A 26 MET CE :methyl 169:sc= -7.06! (180deg=-7.56!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 10:sc= 0.381 USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000745 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.51! C(o=-4.5!,f=-7.9!) USER MOD Single : A 46 SER OG : rot -32:sc= -1.22 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.676 K(o=-0.68,f=-4.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 60 ASN : amide:sc= -1.23! C(o=-1.2!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.665 12.188 -2.161 1.00 0.00 N ATOM 2 CA LEU A 1 5.586 11.176 -1.122 1.00 0.00 C ATOM 3 C LEU A 1 6.467 9.985 -1.506 1.00 0.00 C ATOM 4 O LEU A 1 6.597 9.660 -2.685 1.00 0.00 O ATOM 5 CB LEU A 1 4.128 10.799 -0.850 1.00 0.00 C ATOM 6 CG LEU A 1 3.558 11.250 0.497 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.284 12.075 0.304 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.332 10.054 1.423 1.00 0.00 C ATOM 0 H1 LEU A 1 6.097 13.051 -1.773 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.246 11.834 -2.947 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.709 12.405 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 1 5.971 11.568 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.510 11.221 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.035 9.715 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 1 4.290 11.897 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.899 12.383 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.510 12.958 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.534 11.472 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.927 10.401 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.628 9.363 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.280 9.545 1.597 1.00 0.00 H new ATOM 20 N LYS A 2 7.049 9.368 -0.489 1.00 0.00 N ATOM 21 CA LYS A 2 7.914 8.221 -0.706 1.00 0.00 C ATOM 22 C LYS A 2 7.191 6.950 -0.253 1.00 0.00 C ATOM 23 O LYS A 2 6.932 6.769 0.935 1.00 0.00 O ATOM 24 CB LYS A 2 9.268 8.434 -0.025 1.00 0.00 C ATOM 25 CG LYS A 2 10.174 9.327 -0.875 1.00 0.00 C ATOM 26 CD LYS A 2 11.014 10.253 0.006 1.00 0.00 C ATOM 27 CE LYS A 2 12.329 10.622 -0.682 1.00 0.00 C ATOM 28 NZ LYS A 2 12.351 12.062 -1.022 1.00 0.00 N ATOM 0 H LYS A 2 6.939 9.640 0.488 1.00 0.00 H new ATOM 0 HA LYS A 2 8.132 8.104 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.119 8.888 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.752 7.471 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.830 8.708 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.567 9.921 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.450 11.159 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.222 9.765 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.168 10.384 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.452 10.027 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.251 12.295 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.562 12.279 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.255 12.625 -0.153 1.00 0.00 H new ATOM 42 N CYS A 3 6.887 6.103 -1.225 1.00 0.00 N ATOM 43 CA CYS A 3 6.199 4.854 -0.942 1.00 0.00 C ATOM 44 C CYS A 3 7.197 3.707 -1.114 1.00 0.00 C ATOM 45 O CYS A 3 8.115 3.795 -1.928 1.00 0.00 O ATOM 46 CB CYS A 3 4.965 4.675 -1.827 1.00 0.00 C ATOM 47 SG CYS A 3 3.930 6.173 -2.013 1.00 0.00 S ATOM 0 H CYS A 3 7.104 6.257 -2.210 1.00 0.00 H new ATOM 0 HA CYS A 3 5.830 4.863 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.288 4.349 -2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.351 3.875 -1.413 1.00 0.00 H new ATOM 52 N ASN A 4 6.984 2.658 -0.334 1.00 0.00 N ATOM 53 CA ASN A 4 7.852 1.495 -0.391 1.00 0.00 C ATOM 54 C ASN A 4 7.176 0.398 -1.216 1.00 0.00 C ATOM 55 O ASN A 4 5.978 0.469 -1.485 1.00 0.00 O ATOM 56 CB ASN A 4 8.117 0.937 1.010 1.00 0.00 C ATOM 57 CG ASN A 4 8.376 2.065 2.010 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.487 3.228 1.657 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.467 1.658 3.272 1.00 0.00 N ATOM 0 H ASN A 4 6.223 2.589 0.341 1.00 0.00 H new ATOM 0 HA ASN A 4 8.796 1.801 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.262 0.345 1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.976 0.267 0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.640 2.335 4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.364 0.669 3.497 1.00 0.00 H new ATOM 66 N LYS A 5 7.974 -0.590 -1.594 1.00 0.00 N ATOM 67 CA LYS A 5 7.467 -1.700 -2.385 1.00 0.00 C ATOM 68 C LYS A 5 6.898 -2.768 -1.448 1.00 0.00 C ATOM 69 O LYS A 5 6.519 -2.468 -0.318 1.00 0.00 O ATOM 70 CB LYS A 5 8.551 -2.224 -3.328 1.00 0.00 C ATOM 71 CG LYS A 5 9.219 -1.076 -4.088 1.00 0.00 C ATOM 72 CD LYS A 5 10.702 -0.970 -3.728 1.00 0.00 C ATOM 73 CE LYS A 5 11.256 0.411 -4.088 1.00 0.00 C ATOM 74 NZ LYS A 5 11.499 0.508 -5.544 1.00 0.00 N ATOM 0 H LYS A 5 8.967 -0.646 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 5 6.651 -1.370 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.301 -2.772 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.113 -2.927 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.112 -1.235 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.716 -0.138 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.835 -1.153 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.264 -1.740 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.552 1.184 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.184 0.590 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.875 1.451 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.187 -0.217 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.606 0.359 -6.056 1.00 0.00 H new ATOM 88 N LEU A 6 6.857 -3.992 -1.955 1.00 0.00 N ATOM 89 CA LEU A 6 6.340 -5.106 -1.178 1.00 0.00 C ATOM 90 C LEU A 6 7.030 -5.134 0.187 1.00 0.00 C ATOM 91 O LEU A 6 6.396 -5.417 1.202 1.00 0.00 O ATOM 92 CB LEU A 6 6.474 -6.413 -1.962 1.00 0.00 C ATOM 93 CG LEU A 6 5.521 -7.539 -1.556 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.160 -8.411 -2.761 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.102 -8.362 -0.406 1.00 0.00 C ATOM 0 H LEU A 6 7.173 -4.236 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 6 5.273 -4.980 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.320 -6.197 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.497 -6.774 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 6 4.596 -7.090 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.482 -9.204 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.674 -7.799 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.066 -8.852 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.404 -9.155 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.050 -8.802 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.267 -7.716 0.457 1.00 0.00 H new ATOM 107 N VAL A 7 8.322 -4.837 0.168 1.00 0.00 N ATOM 108 CA VAL A 7 9.106 -4.824 1.391 1.00 0.00 C ATOM 109 C VAL A 7 9.341 -3.377 1.827 1.00 0.00 C ATOM 110 O VAL A 7 9.718 -2.534 1.013 1.00 0.00 O ATOM 111 CB VAL A 7 10.404 -5.607 1.189 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.394 -5.329 2.322 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.127 -7.106 1.059 1.00 0.00 C ATOM 0 H VAL A 7 8.845 -4.603 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 7 8.565 -5.321 2.196 1.00 0.00 H new ATOM 0 HB VAL A 7 10.857 -5.268 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.308 -5.898 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.628 -4.265 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.951 -5.626 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.067 -7.639 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.640 -7.466 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.476 -7.283 0.203 1.00 0.00 H new ATOM 123 N PRO A 8 9.109 -3.132 3.107 1.00 0.00 N ATOM 124 CA PRO A 8 9.644 -1.897 3.767 1.00 0.00 C ATOM 125 C PRO A 8 11.189 -1.649 3.834 1.00 0.00 C ATOM 126 O PRO A 8 11.755 -1.532 4.919 1.00 0.00 O ATOM 127 CB PRO A 8 8.991 -1.961 5.166 1.00 0.00 C ATOM 128 CG PRO A 8 7.835 -2.956 5.045 1.00 0.00 C ATOM 129 CD PRO A 8 8.322 -3.976 4.017 1.00 0.00 C ATOM 0 HA PRO A 8 9.392 -1.036 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.710 -2.287 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.631 -0.979 5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.616 -3.429 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.920 -2.464 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.926 -4.760 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.495 -4.468 3.506 1.00 0.00 H new ATOM 137 N ILE A 9 11.798 -1.580 2.659 1.00 0.00 N ATOM 138 CA ILE A 9 13.230 -1.353 2.569 1.00 0.00 C ATOM 139 C ILE A 9 13.514 -0.350 1.450 1.00 0.00 C ATOM 140 O ILE A 9 14.136 0.685 1.681 1.00 0.00 O ATOM 141 CB ILE A 9 13.974 -2.680 2.409 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.487 -2.473 2.489 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.559 -3.390 1.119 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.926 -2.170 3.922 1.00 0.00 C ATOM 0 H ILE A 9 11.325 -1.677 1.761 1.00 0.00 H new ATOM 0 HA ILE A 9 13.605 -0.914 3.494 1.00 0.00 H new ATOM 0 HB ILE A 9 13.694 -3.330 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.999 -3.366 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.780 -1.652 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.103 -4.330 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.488 -3.591 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.790 -2.755 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.006 -2.027 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.431 -1.263 4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.654 -3.003 4.570 1.00 0.00 H new ATOM 156 N ALA A 10 13.044 -0.692 0.259 1.00 0.00 N ATOM 157 CA ALA A 10 13.240 0.165 -0.898 1.00 0.00 C ATOM 158 C ALA A 10 11.954 0.949 -1.170 1.00 0.00 C ATOM 159 O ALA A 10 10.859 0.391 -1.112 1.00 0.00 O ATOM 160 CB ALA A 10 13.670 -0.683 -2.096 1.00 0.00 C ATOM 0 H ALA A 10 12.528 -1.551 0.070 1.00 0.00 H new ATOM 0 HA ALA A 10 14.034 0.888 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.817 -0.039 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.603 -1.196 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.897 -1.419 -2.317 1.00 0.00 H new ATOM 166 N TYR A 11 12.129 2.230 -1.461 1.00 0.00 N ATOM 167 CA TYR A 11 10.998 3.096 -1.742 1.00 0.00 C ATOM 168 C TYR A 11 11.410 4.265 -2.638 1.00 0.00 C ATOM 169 O TYR A 11 12.558 4.705 -2.600 1.00 0.00 O ATOM 170 CB TYR A 11 10.538 3.642 -0.389 1.00 0.00 C ATOM 171 CG TYR A 11 11.648 4.319 0.417 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.434 3.572 1.271 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.863 5.676 0.291 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.479 4.209 2.031 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.908 6.312 1.051 1.00 0.00 C ATOM 176 CZ TYR A 11 13.664 5.547 1.882 1.00 0.00 C ATOM 177 OH TYR A 11 14.651 6.149 2.600 1.00 0.00 O ATOM 0 H TYR A 11 13.039 2.689 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 11 10.213 2.545 -2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.733 4.358 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.123 2.824 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.266 2.510 1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.248 6.261 -0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.101 3.637 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.087 7.373 0.963 1.00 0.00 H new ATOM 0 HH TYR A 11 14.669 7.107 2.392 1.00 0.00 H new ATOM 187 N LYS A 12 10.451 4.735 -3.422 1.00 0.00 N ATOM 188 CA LYS A 12 10.701 5.845 -4.326 1.00 0.00 C ATOM 189 C LYS A 12 9.596 6.890 -4.160 1.00 0.00 C ATOM 190 O LYS A 12 8.705 6.730 -3.328 1.00 0.00 O ATOM 191 CB LYS A 12 10.860 5.341 -5.762 1.00 0.00 C ATOM 192 CG LYS A 12 12.317 4.975 -6.056 1.00 0.00 C ATOM 193 CD LYS A 12 12.933 5.947 -7.064 1.00 0.00 C ATOM 194 CE LYS A 12 12.406 5.680 -8.476 1.00 0.00 C ATOM 195 NZ LYS A 12 13.070 6.570 -9.454 1.00 0.00 N ATOM 0 H LYS A 12 9.500 4.368 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 12 11.643 6.334 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.224 4.470 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.526 6.109 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.894 4.991 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.369 3.959 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.702 6.972 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.019 5.849 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.582 4.639 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.328 5.839 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.701 6.376 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.881 7.562 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.096 6.399 -9.439 1.00 0.00 H new ATOM 209 N THR A 13 9.691 7.938 -4.966 1.00 0.00 N ATOM 210 CA THR A 13 8.711 9.009 -4.919 1.00 0.00 C ATOM 211 C THR A 13 7.496 8.659 -5.779 1.00 0.00 C ATOM 212 O THR A 13 7.636 8.357 -6.964 1.00 0.00 O ATOM 213 CB THR A 13 9.405 10.304 -5.346 1.00 0.00 C ATOM 214 OG1 THR A 13 9.804 10.906 -4.118 1.00 0.00 O ATOM 215 CG2 THR A 13 8.433 11.315 -5.958 1.00 0.00 C ATOM 0 H THR A 13 10.432 8.068 -5.655 1.00 0.00 H new ATOM 0 HA THR A 13 8.325 9.148 -3.909 1.00 0.00 H new ATOM 0 HB THR A 13 10.191 10.074 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.264 11.751 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.977 12.216 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.963 10.880 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.666 11.571 -5.227 1.00 0.00 H new ATOM 223 N CYS A 14 6.331 8.709 -5.150 1.00 0.00 N ATOM 224 CA CYS A 14 5.091 8.401 -5.844 1.00 0.00 C ATOM 225 C CYS A 14 4.772 9.557 -6.793 1.00 0.00 C ATOM 226 O CYS A 14 4.396 10.642 -6.351 1.00 0.00 O ATOM 227 CB CYS A 14 3.947 8.133 -4.865 1.00 0.00 C ATOM 228 SG CYS A 14 4.257 6.779 -3.674 1.00 0.00 S ATOM 0 H CYS A 14 6.219 8.958 -4.167 1.00 0.00 H new ATOM 0 HA CYS A 14 5.211 7.483 -6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.742 9.048 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.048 7.898 -5.434 1.00 0.00 H new ATOM 233 N PRO A 15 4.932 9.286 -8.080 1.00 0.00 N ATOM 234 CA PRO A 15 4.900 10.375 -9.108 1.00 0.00 C ATOM 235 C PRO A 15 3.620 11.266 -9.270 1.00 0.00 C ATOM 236 O PRO A 15 2.673 11.144 -8.495 1.00 0.00 O ATOM 237 CB PRO A 15 5.261 9.615 -10.406 1.00 0.00 C ATOM 238 CG PRO A 15 4.870 8.157 -10.160 1.00 0.00 C ATOM 239 CD PRO A 15 5.151 7.937 -8.674 1.00 0.00 C ATOM 0 HA PRO A 15 5.583 11.165 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.723 10.025 -11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.325 9.702 -10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.821 7.981 -10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.455 7.478 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.480 7.194 -8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.168 7.583 -8.505 1.00 0.00 H new ATOM 247 N GLU A 16 3.660 12.125 -10.278 1.00 0.00 N ATOM 248 CA GLU A 16 2.543 13.015 -10.547 1.00 0.00 C ATOM 249 C GLU A 16 1.251 12.211 -10.710 1.00 0.00 C ATOM 250 O GLU A 16 1.188 11.287 -11.518 1.00 0.00 O ATOM 251 CB GLU A 16 2.813 13.874 -11.784 1.00 0.00 C ATOM 252 CG GLU A 16 3.826 14.978 -11.474 1.00 0.00 C ATOM 253 CD GLU A 16 3.988 15.924 -12.667 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.966 16.532 -13.051 1.00 0.00 O ATOM 255 OE2 GLU A 16 5.129 16.017 -13.166 1.00 0.00 O ATOM 0 H GLU A 16 4.448 12.224 -10.918 1.00 0.00 H new ATOM 0 HA GLU A 16 2.425 13.687 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.189 13.246 -12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.881 14.318 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.499 15.542 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.789 14.533 -11.224 1.00 0.00 H new ATOM 262 N GLY A 17 0.253 12.594 -9.927 1.00 0.00 N ATOM 263 CA GLY A 17 -1.034 11.921 -9.973 1.00 0.00 C ATOM 264 C GLY A 17 -1.217 11.004 -8.762 1.00 0.00 C ATOM 265 O GLY A 17 -2.313 10.903 -8.214 1.00 0.00 O ATOM 0 H GLY A 17 0.310 13.361 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.834 12.661 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.111 11.337 -10.890 1.00 0.00 H new ATOM 269 N LYS A 18 -0.125 10.356 -8.381 1.00 0.00 N ATOM 270 CA LYS A 18 -0.152 9.450 -7.246 1.00 0.00 C ATOM 271 C LYS A 18 0.797 9.969 -6.162 1.00 0.00 C ATOM 272 O LYS A 18 2.015 9.845 -6.287 1.00 0.00 O ATOM 273 CB LYS A 18 0.152 8.019 -7.695 1.00 0.00 C ATOM 274 CG LYS A 18 -1.021 7.431 -8.482 1.00 0.00 C ATOM 275 CD LYS A 18 -0.676 7.306 -9.967 1.00 0.00 C ATOM 276 CE LYS A 18 -1.938 7.364 -10.829 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.592 7.668 -12.236 1.00 0.00 N ATOM 0 H LYS A 18 0.783 10.441 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.150 9.417 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.050 8.011 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.359 7.397 -6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.278 6.451 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.899 8.065 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.003 8.109 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.153 6.367 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.466 6.412 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.615 8.126 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.460 7.704 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.108 8.587 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.964 6.927 -12.607 1.00 0.00 H new ATOM 291 N ASN A 19 0.203 10.540 -5.124 1.00 0.00 N ATOM 292 CA ASN A 19 0.980 11.078 -4.020 1.00 0.00 C ATOM 293 C ASN A 19 0.531 10.415 -2.717 1.00 0.00 C ATOM 294 O ASN A 19 0.833 10.907 -1.631 1.00 0.00 O ATOM 295 CB ASN A 19 0.767 12.586 -3.881 1.00 0.00 C ATOM 296 CG ASN A 19 1.991 13.257 -3.254 1.00 0.00 C ATOM 297 OD1 ASN A 19 3.110 12.779 -3.348 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.717 14.387 -2.609 1.00 0.00 N ATOM 0 H ASN A 19 -0.807 10.642 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 19 2.033 10.880 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.571 13.021 -4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.112 12.778 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.466 14.909 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.758 14.731 -2.569 1.00 0.00 H new ATOM 305 N LEU A 20 -0.182 9.309 -2.867 1.00 0.00 N ATOM 306 CA LEU A 20 -0.675 8.573 -1.714 1.00 0.00 C ATOM 307 C LEU A 20 -0.141 7.140 -1.763 1.00 0.00 C ATOM 308 O LEU A 20 -0.015 6.557 -2.839 1.00 0.00 O ATOM 309 CB LEU A 20 -2.201 8.660 -1.636 1.00 0.00 C ATOM 310 CG LEU A 20 -2.782 10.057 -1.410 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.305 10.046 -1.558 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.342 10.620 -0.057 1.00 0.00 C ATOM 0 H LEU A 20 -0.431 8.904 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.306 9.019 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.616 8.261 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.541 8.012 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.388 10.721 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.694 11.051 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.571 9.715 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.737 9.365 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.768 11.614 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.689 9.963 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.254 10.684 -0.026 1.00 0.00 H new ATOM 324 N CYS A 21 0.158 6.614 -0.585 1.00 0.00 N ATOM 325 CA CYS A 21 0.675 5.260 -0.479 1.00 0.00 C ATOM 326 C CYS A 21 -0.377 4.397 0.222 1.00 0.00 C ATOM 327 O CYS A 21 -1.050 4.858 1.142 1.00 0.00 O ATOM 328 CB CYS A 21 2.020 5.223 0.249 1.00 0.00 C ATOM 329 SG CYS A 21 3.178 6.563 -0.210 1.00 0.00 S ATOM 0 H CYS A 21 0.052 7.101 0.305 1.00 0.00 H new ATOM 0 HA CYS A 21 0.865 4.862 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.838 5.271 1.323 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.499 4.264 0.050 1.00 0.00 H new ATOM 334 N TYR A 22 -0.487 3.161 -0.242 1.00 0.00 N ATOM 335 CA TYR A 22 -1.445 2.230 0.328 1.00 0.00 C ATOM 336 C TYR A 22 -0.866 0.814 0.386 1.00 0.00 C ATOM 337 O TYR A 22 0.082 0.498 -0.331 1.00 0.00 O ATOM 338 CB TYR A 22 -2.651 2.236 -0.614 1.00 0.00 C ATOM 339 CG TYR A 22 -2.439 1.438 -1.901 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.393 0.059 -1.858 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.296 2.095 -3.107 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.195 -0.693 -3.070 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.097 1.343 -4.318 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.056 -0.014 -4.240 1.00 0.00 C ATOM 345 OH TYR A 22 -1.868 -0.725 -5.384 1.00 0.00 O ATOM 0 H TYR A 22 0.072 2.783 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.707 2.523 1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.514 1.831 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.891 3.267 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.506 -0.456 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.333 3.174 -3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.158 -1.772 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.983 1.845 -5.267 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.786 -0.109 -6.142 1.00 0.00 H new ATOM 355 N LYS A 23 -1.462 0.001 1.246 1.00 0.00 N ATOM 356 CA LYS A 23 -1.018 -1.373 1.406 1.00 0.00 C ATOM 357 C LYS A 23 -2.226 -2.263 1.709 1.00 0.00 C ATOM 358 O LYS A 23 -2.851 -2.131 2.761 1.00 0.00 O ATOM 359 CB LYS A 23 0.088 -1.458 2.460 1.00 0.00 C ATOM 360 CG LYS A 23 -0.205 -0.529 3.639 1.00 0.00 C ATOM 361 CD LYS A 23 0.996 -0.446 4.584 1.00 0.00 C ATOM 362 CE LYS A 23 0.951 0.837 5.416 1.00 0.00 C ATOM 363 NZ LYS A 23 1.614 0.631 6.723 1.00 0.00 N ATOM 0 H LYS A 23 -2.248 0.267 1.839 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.575 -1.741 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.178 -2.485 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.044 -1.191 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.451 0.467 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.077 -0.891 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.004 -1.312 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.920 -0.477 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.443 1.645 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.084 1.141 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.894 0.550 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.179 -0.241 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.236 1.439 6.928 1.00 0.00 H new ATOM 377 N MET A 24 -2.519 -3.148 0.768 1.00 0.00 N ATOM 378 CA MET A 24 -3.640 -4.059 0.920 1.00 0.00 C ATOM 379 C MET A 24 -3.204 -5.356 1.607 1.00 0.00 C ATOM 380 O MET A 24 -2.205 -5.960 1.222 1.00 0.00 O ATOM 381 CB MET A 24 -4.226 -4.383 -0.455 1.00 0.00 C ATOM 382 CG MET A 24 -5.248 -3.324 -0.879 1.00 0.00 C ATOM 383 SD MET A 24 -4.506 -2.190 -2.040 1.00 0.00 S ATOM 384 CE MET A 24 -5.201 -2.807 -3.563 1.00 0.00 C ATOM 0 H MET A 24 -1.999 -3.254 -0.103 1.00 0.00 H new ATOM 0 HA MET A 24 -4.394 -3.576 1.541 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.425 -4.436 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.702 -5.363 -0.430 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.116 -3.805 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.605 -2.780 -0.004 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.397 -3.120 -4.229 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.847 -3.658 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.784 -2.020 -4.042 1.00 0.00 H new ATOM 394 N PHE A 25 -3.976 -5.743 2.612 1.00 0.00 N ATOM 395 CA PHE A 25 -3.682 -6.956 3.356 1.00 0.00 C ATOM 396 C PHE A 25 -4.761 -8.016 3.125 1.00 0.00 C ATOM 397 O PHE A 25 -5.941 -7.768 3.366 1.00 0.00 O ATOM 398 CB PHE A 25 -3.665 -6.579 4.838 1.00 0.00 C ATOM 399 CG PHE A 25 -2.631 -5.509 5.196 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.919 -4.193 5.005 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.423 -5.872 5.704 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.960 -3.199 5.336 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.464 -4.879 6.036 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.752 -3.564 5.845 1.00 0.00 C ATOM 0 H PHE A 25 -4.804 -5.238 2.928 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.728 -7.370 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.655 -6.223 5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.466 -7.474 5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.878 -3.904 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.193 -6.916 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.189 -2.155 5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.495 -5.168 6.440 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.022 -2.809 6.097 1.00 0.00 H new ATOM 414 N MET A 26 -4.317 -9.175 2.661 1.00 0.00 N ATOM 415 CA MET A 26 -5.230 -10.273 2.394 1.00 0.00 C ATOM 416 C MET A 26 -5.457 -11.115 3.651 1.00 0.00 C ATOM 417 O MET A 26 -4.606 -11.154 4.538 1.00 0.00 O ATOM 418 CB MET A 26 -4.656 -11.157 1.285 1.00 0.00 C ATOM 419 CG MET A 26 -5.726 -11.500 0.247 1.00 0.00 C ATOM 420 SD MET A 26 -5.677 -13.245 -0.128 1.00 0.00 S ATOM 421 CE MET A 26 -6.362 -13.906 1.381 1.00 0.00 C ATOM 0 H MET A 26 -3.337 -9.377 2.463 1.00 0.00 H new ATOM 0 HA MET A 26 -6.187 -9.856 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.825 -10.644 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.256 -12.074 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.712 -11.229 0.625 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.562 -10.920 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.585 -14.964 1.246 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.642 -13.787 2.190 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.278 -13.371 1.630 1.00 0.00 H new ATOM 431 N MET A 27 -6.610 -11.768 3.687 1.00 0.00 N ATOM 432 CA MET A 27 -6.959 -12.606 4.821 1.00 0.00 C ATOM 433 C MET A 27 -7.072 -11.777 6.102 1.00 0.00 C ATOM 434 O MET A 27 -8.159 -11.636 6.661 1.00 0.00 O ATOM 435 CB MET A 27 -5.892 -13.687 5.006 1.00 0.00 C ATOM 436 CG MET A 27 -6.244 -14.946 4.210 1.00 0.00 C ATOM 437 SD MET A 27 -6.083 -16.389 5.249 1.00 0.00 S ATOM 438 CE MET A 27 -5.567 -17.589 4.033 1.00 0.00 C ATOM 0 H MET A 27 -7.314 -11.733 2.949 1.00 0.00 H new ATOM 0 HA MET A 27 -7.926 -13.068 4.622 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.923 -13.306 4.682 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.800 -13.935 6.063 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.263 -14.873 3.830 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.587 -15.035 3.345 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.420 -18.555 4.515 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.334 -17.680 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.632 -17.265 3.576 1.00 0.00 H new ATOM 448 N SER A 28 -5.935 -11.249 6.530 1.00 0.00 N ATOM 449 CA SER A 28 -5.892 -10.438 7.735 1.00 0.00 C ATOM 450 C SER A 28 -4.734 -9.442 7.654 1.00 0.00 C ATOM 451 O SER A 28 -3.745 -9.689 6.966 1.00 0.00 O ATOM 452 CB SER A 28 -5.755 -11.312 8.984 1.00 0.00 C ATOM 453 OG SER A 28 -6.979 -11.961 9.317 1.00 0.00 O ATOM 0 H SER A 28 -5.036 -11.367 6.063 1.00 0.00 H new ATOM 0 HA SER A 28 -6.831 -9.889 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.980 -12.061 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.430 -10.697 9.823 1.00 0.00 H new ATOM 0 HG SER A 28 -7.620 -11.845 8.585 1.00 0.00 H new ATOM 459 N ASP A 29 -4.895 -8.336 8.367 1.00 0.00 N ATOM 460 CA ASP A 29 -3.874 -7.302 8.385 1.00 0.00 C ATOM 461 C ASP A 29 -2.939 -7.536 9.572 1.00 0.00 C ATOM 462 O ASP A 29 -1.793 -7.089 9.561 1.00 0.00 O ATOM 463 CB ASP A 29 -4.500 -5.915 8.541 1.00 0.00 C ATOM 464 CG ASP A 29 -5.839 -5.888 9.279 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.805 -6.458 8.725 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.869 -5.298 10.381 1.00 0.00 O ATOM 0 H ASP A 29 -5.717 -8.134 8.936 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.329 -7.348 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.797 -5.274 9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.640 -5.483 7.550 1.00 0.00 H new ATOM 471 N LEU A 30 -3.462 -8.234 10.569 1.00 0.00 N ATOM 472 CA LEU A 30 -2.688 -8.531 11.762 1.00 0.00 C ATOM 473 C LEU A 30 -1.306 -9.047 11.353 1.00 0.00 C ATOM 474 O LEU A 30 -0.345 -8.926 12.111 1.00 0.00 O ATOM 475 CB LEU A 30 -3.456 -9.491 12.674 1.00 0.00 C ATOM 476 CG LEU A 30 -4.738 -8.938 13.301 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.740 -10.059 13.579 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.425 -8.124 14.559 1.00 0.00 C ATOM 0 H LEU A 30 -4.413 -8.603 10.575 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.531 -7.626 12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.711 -10.381 12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.790 -9.809 13.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.204 -8.260 12.586 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.642 -9.639 14.024 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.996 -10.559 12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.298 -10.780 14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.353 -7.742 14.985 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.925 -8.760 15.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.774 -7.289 14.299 1.00 0.00 H new ATOM 490 N THR A 31 -1.251 -9.610 10.155 1.00 0.00 N ATOM 491 CA THR A 31 -0.003 -10.143 9.635 1.00 0.00 C ATOM 492 C THR A 31 0.571 -9.213 8.566 1.00 0.00 C ATOM 493 O THR A 31 -0.005 -8.165 8.276 1.00 0.00 O ATOM 494 CB THR A 31 -0.271 -11.561 9.127 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.189 -11.378 8.053 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.044 -12.410 10.138 1.00 0.00 C ATOM 0 H THR A 31 -2.051 -9.709 9.529 1.00 0.00 H new ATOM 0 HA THR A 31 0.758 -10.199 10.413 1.00 0.00 H new ATOM 0 HB THR A 31 0.676 -12.047 8.895 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.416 -12.249 7.664 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.207 -13.406 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.471 -12.488 11.062 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.006 -11.942 10.347 1.00 0.00 H new ATOM 504 N ILE A 32 1.699 -9.629 8.008 1.00 0.00 N ATOM 505 CA ILE A 32 2.357 -8.844 6.977 1.00 0.00 C ATOM 506 C ILE A 32 1.466 -8.794 5.734 1.00 0.00 C ATOM 507 O ILE A 32 0.721 -9.734 5.461 1.00 0.00 O ATOM 508 CB ILE A 32 3.761 -9.388 6.705 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.829 -8.471 7.304 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.979 -9.621 5.209 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.349 -9.028 8.631 1.00 0.00 C ATOM 0 H ILE A 32 2.174 -10.499 8.250 1.00 0.00 H new ATOM 0 HA ILE A 32 2.497 -7.816 7.311 1.00 0.00 H new ATOM 0 HB ILE A 32 3.854 -10.356 7.198 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.656 -8.363 6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.412 -7.476 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.985 -10.008 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.248 -10.342 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.860 -8.679 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.107 -8.357 9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.524 -9.112 9.339 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.787 -10.012 8.466 1.00 0.00 H new ATOM 523 N PRO A 33 1.571 -7.687 5.014 1.00 0.00 N ATOM 524 CA PRO A 33 0.715 -7.470 3.804 1.00 0.00 C ATOM 525 C PRO A 33 0.881 -8.390 2.547 1.00 0.00 C ATOM 526 O PRO A 33 1.675 -9.330 2.561 1.00 0.00 O ATOM 527 CB PRO A 33 0.969 -5.979 3.484 1.00 0.00 C ATOM 528 CG PRO A 33 2.363 -5.665 4.030 1.00 0.00 C ATOM 529 CD PRO A 33 2.493 -6.552 5.267 1.00 0.00 C ATOM 0 HA PRO A 33 -0.309 -7.753 4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.919 -5.796 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.215 -5.345 3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.137 -5.890 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.462 -4.610 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.518 -6.897 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.217 -6.012 6.173 1.00 0.00 H new ATOM 537 N VAL A 34 0.114 -8.071 1.514 1.00 0.00 N ATOM 538 CA VAL A 34 0.162 -8.839 0.281 1.00 0.00 C ATOM 539 C VAL A 34 0.644 -7.938 -0.858 1.00 0.00 C ATOM 540 O VAL A 34 1.506 -8.329 -1.642 1.00 0.00 O ATOM 541 CB VAL A 34 -1.203 -9.473 0.006 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.414 -10.718 0.870 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.330 -8.460 0.218 1.00 0.00 C ATOM 0 H VAL A 34 -0.544 -7.291 1.506 1.00 0.00 H new ATOM 0 HA VAL A 34 0.874 -9.659 0.369 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.224 -9.784 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.392 -11.149 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.638 -11.451 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.363 -10.443 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.290 -8.936 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.311 -8.105 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.193 -7.617 -0.459 1.00 0.00 H new ATOM 553 N LYS A 35 0.065 -6.746 -0.911 1.00 0.00 N ATOM 554 CA LYS A 35 0.425 -5.785 -1.940 1.00 0.00 C ATOM 555 C LYS A 35 0.355 -4.373 -1.359 1.00 0.00 C ATOM 556 O LYS A 35 -0.397 -4.120 -0.419 1.00 0.00 O ATOM 557 CB LYS A 35 -0.444 -5.984 -3.185 1.00 0.00 C ATOM 558 CG LYS A 35 -1.923 -5.759 -2.861 1.00 0.00 C ATOM 559 CD LYS A 35 -2.804 -6.776 -3.588 1.00 0.00 C ATOM 560 CE LYS A 35 -4.089 -6.122 -4.101 1.00 0.00 C ATOM 561 NZ LYS A 35 -5.146 -7.139 -4.296 1.00 0.00 N ATOM 0 H LYS A 35 -0.650 -6.425 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 35 1.452 -5.943 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.130 -5.293 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.302 -6.992 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.080 -5.840 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.213 -4.749 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.253 -7.208 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.053 -7.595 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.428 -5.368 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.892 -5.609 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.011 -6.678 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.826 -7.844 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.345 -7.610 -3.391 1.00 0.00 H new ATOM 575 N ARG A 36 1.148 -3.487 -1.944 1.00 0.00 N ATOM 576 CA ARG A 36 1.186 -2.105 -1.496 1.00 0.00 C ATOM 577 C ARG A 36 1.900 -1.231 -2.530 1.00 0.00 C ATOM 578 O ARG A 36 2.975 -1.587 -3.012 1.00 0.00 O ATOM 579 CB ARG A 36 1.904 -1.981 -0.151 1.00 0.00 C ATOM 580 CG ARG A 36 3.351 -2.470 -0.254 1.00 0.00 C ATOM 581 CD ARG A 36 3.610 -3.623 0.718 1.00 0.00 C ATOM 582 NE ARG A 36 3.375 -3.174 2.109 1.00 0.00 N ATOM 583 CZ ARG A 36 4.264 -2.486 2.837 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.453 -2.161 2.310 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.964 -2.120 4.091 1.00 0.00 N ATOM 0 H ARG A 36 1.769 -3.699 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 36 0.157 -1.767 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.890 -0.942 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.373 -2.561 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.557 -2.796 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.033 -1.647 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.956 -4.462 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.635 -3.978 0.610 1.00 0.00 H new ATOM 0 HE ARG A 36 2.479 -3.403 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.680 -2.438 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.130 -1.637 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.058 -2.365 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.641 -1.596 4.645 1.00 0.00 H new ATOM 599 N GLY A 37 1.274 -0.105 -2.840 1.00 0.00 N ATOM 600 CA GLY A 37 1.835 0.821 -3.807 1.00 0.00 C ATOM 601 C GLY A 37 1.293 2.235 -3.591 1.00 0.00 C ATOM 602 O GLY A 37 0.779 2.550 -2.518 1.00 0.00 O ATOM 0 H GLY A 37 0.383 0.186 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.922 0.827 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.597 0.487 -4.817 1.00 0.00 H new ATOM 606 N CYS A 38 1.427 3.051 -4.626 1.00 0.00 N ATOM 607 CA CYS A 38 0.956 4.424 -4.563 1.00 0.00 C ATOM 608 C CYS A 38 -0.415 4.494 -5.237 1.00 0.00 C ATOM 609 O CYS A 38 -0.807 3.573 -5.952 1.00 0.00 O ATOM 610 CB CYS A 38 1.954 5.394 -5.199 1.00 0.00 C ATOM 611 SG CYS A 38 3.696 5.137 -4.701 1.00 0.00 S ATOM 0 H CYS A 38 1.855 2.787 -5.513 1.00 0.00 H new ATOM 0 HA CYS A 38 0.863 4.731 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.884 5.307 -6.283 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.664 6.413 -4.942 1.00 0.00 H new ATOM 616 N ILE A 39 -1.109 5.594 -4.985 1.00 0.00 N ATOM 617 CA ILE A 39 -2.428 5.797 -5.559 1.00 0.00 C ATOM 618 C ILE A 39 -2.829 7.265 -5.401 1.00 0.00 C ATOM 619 O ILE A 39 -2.093 8.053 -4.810 1.00 0.00 O ATOM 620 CB ILE A 39 -3.433 4.816 -4.951 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.666 4.669 -5.845 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.804 5.226 -3.524 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.132 3.213 -5.901 1.00 0.00 C ATOM 0 H ILE A 39 -0.782 6.355 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.415 5.584 -6.628 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.961 3.835 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.471 5.298 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.434 5.019 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.519 4.513 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.908 5.237 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.250 6.221 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.010 3.136 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.333 2.590 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.386 2.873 -4.897 1.00 0.00 H new ATOM 635 N ASP A 40 -3.996 7.588 -5.940 1.00 0.00 N ATOM 636 CA ASP A 40 -4.503 8.947 -5.866 1.00 0.00 C ATOM 637 C ASP A 40 -5.766 8.969 -5.003 1.00 0.00 C ATOM 638 O ASP A 40 -6.014 9.936 -4.283 1.00 0.00 O ATOM 639 CB ASP A 40 -4.871 9.474 -7.255 1.00 0.00 C ATOM 640 CG ASP A 40 -5.388 10.913 -7.284 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.572 11.816 -7.002 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.589 11.078 -7.589 1.00 0.00 O ATOM 0 H ASP A 40 -4.604 6.932 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.722 9.575 -5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.993 9.406 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.631 8.822 -7.685 1.00 0.00 H new ATOM 647 N VAL A 41 -6.531 7.892 -5.102 1.00 0.00 N ATOM 648 CA VAL A 41 -7.762 7.775 -4.339 1.00 0.00 C ATOM 649 C VAL A 41 -7.864 6.364 -3.756 1.00 0.00 C ATOM 650 O VAL A 41 -7.702 5.379 -4.475 1.00 0.00 O ATOM 651 CB VAL A 41 -8.959 8.149 -5.216 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.244 7.055 -6.248 1.00 0.00 C ATOM 653 CG2 VAL A 41 -10.197 8.434 -4.362 1.00 0.00 C ATOM 0 H VAL A 41 -6.322 7.092 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.760 8.473 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.708 9.062 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.099 7.345 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.371 6.921 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.465 6.119 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -11.033 8.697 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.452 7.546 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.989 9.262 -3.684 1.00 0.00 H new ATOM 663 N CYS A 42 -8.133 6.312 -2.459 1.00 0.00 N ATOM 664 CA CYS A 42 -8.259 5.038 -1.773 1.00 0.00 C ATOM 665 C CYS A 42 -9.461 4.293 -2.358 1.00 0.00 C ATOM 666 O CYS A 42 -10.597 4.747 -2.233 1.00 0.00 O ATOM 667 CB CYS A 42 -8.383 5.222 -0.259 1.00 0.00 C ATOM 668 SG CYS A 42 -7.943 3.747 0.732 1.00 0.00 S ATOM 0 H CYS A 42 -8.267 7.131 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.357 4.447 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.744 6.051 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.409 5.507 -0.025 1.00 0.00 H new ATOM 673 N PRO A 43 -9.168 3.162 -2.984 1.00 0.00 N ATOM 674 CA PRO A 43 -10.249 2.224 -3.425 1.00 0.00 C ATOM 675 C PRO A 43 -11.258 1.637 -2.379 1.00 0.00 C ATOM 676 O PRO A 43 -11.163 1.930 -1.188 1.00 0.00 O ATOM 677 CB PRO A 43 -9.450 1.122 -4.158 1.00 0.00 C ATOM 678 CG PRO A 43 -8.094 1.745 -4.500 1.00 0.00 C ATOM 679 CD PRO A 43 -7.808 2.688 -3.332 1.00 0.00 C ATOM 0 HA PRO A 43 -10.972 2.784 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.328 0.242 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.969 0.797 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.319 0.984 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.131 2.284 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.329 2.173 -2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.151 3.508 -3.620 1.00 0.00 H new ATOM 687 N LYS A 44 -12.183 0.834 -2.882 1.00 0.00 N ATOM 688 CA LYS A 44 -13.185 0.218 -2.028 1.00 0.00 C ATOM 689 C LYS A 44 -12.545 -0.928 -1.242 1.00 0.00 C ATOM 690 O LYS A 44 -11.895 -1.797 -1.822 1.00 0.00 O ATOM 691 CB LYS A 44 -14.403 -0.205 -2.852 1.00 0.00 C ATOM 692 CG LYS A 44 -14.969 0.976 -3.642 1.00 0.00 C ATOM 693 CD LYS A 44 -15.653 0.500 -4.925 1.00 0.00 C ATOM 694 CE LYS A 44 -14.655 0.421 -6.082 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.331 -0.026 -7.320 1.00 0.00 N ATOM 0 H LYS A 44 -12.260 0.595 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.557 0.936 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.122 -1.004 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.171 -0.607 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.684 1.521 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.166 1.671 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.102 -0.479 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.463 1.182 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.197 1.397 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.851 -0.270 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.639 -0.074 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.747 -0.967 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.083 0.649 -7.568 1.00 0.00 H new ATOM 709 N ASN A 45 -12.751 -0.894 0.066 1.00 0.00 N ATOM 710 CA ASN A 45 -12.203 -1.919 0.937 1.00 0.00 C ATOM 711 C ASN A 45 -13.022 -3.201 0.788 1.00 0.00 C ATOM 712 O ASN A 45 -14.172 -3.160 0.352 1.00 0.00 O ATOM 713 CB ASN A 45 -12.265 -1.486 2.404 1.00 0.00 C ATOM 714 CG ASN A 45 -11.167 -2.169 3.223 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.166 -1.573 3.584 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.413 -3.446 3.497 1.00 0.00 N ATOM 0 H ASN A 45 -13.290 -0.172 0.544 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.164 -2.082 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.155 -0.404 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -13.242 -1.734 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.743 -3.989 4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.272 -3.883 3.163 1.00 0.00 H new ATOM 723 N SER A 46 -12.399 -4.311 1.158 1.00 0.00 N ATOM 724 CA SER A 46 -13.058 -5.603 1.069 1.00 0.00 C ATOM 725 C SER A 46 -13.051 -6.287 2.438 1.00 0.00 C ATOM 726 O SER A 46 -12.377 -5.831 3.361 1.00 0.00 O ATOM 727 CB SER A 46 -12.381 -6.496 0.027 1.00 0.00 C ATOM 728 OG SER A 46 -11.038 -6.811 0.384 1.00 0.00 O ATOM 0 H SER A 46 -11.446 -4.342 1.520 1.00 0.00 H new ATOM 0 HA SER A 46 -14.089 -5.441 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.952 -7.418 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.391 -5.995 -0.941 1.00 0.00 H new ATOM 0 HG SER A 46 -10.647 -6.062 0.881 1.00 0.00 H new ATOM 734 N LEU A 47 -13.809 -7.371 2.526 1.00 0.00 N ATOM 735 CA LEU A 47 -13.899 -8.123 3.766 1.00 0.00 C ATOM 736 C LEU A 47 -12.819 -9.206 3.780 1.00 0.00 C ATOM 737 O LEU A 47 -12.478 -9.735 4.837 1.00 0.00 O ATOM 738 CB LEU A 47 -15.316 -8.664 3.962 1.00 0.00 C ATOM 739 CG LEU A 47 -15.423 -10.034 4.637 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.844 -11.132 3.743 1.00 0.00 C ATOM 741 CD2 LEU A 47 -14.770 -10.017 6.020 1.00 0.00 C ATOM 0 H LEU A 47 -14.366 -7.746 1.758 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.710 -7.473 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.880 -7.944 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.800 -8.723 2.987 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.479 -10.261 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.932 -12.095 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.393 -11.162 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.793 -10.922 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.860 -11.002 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.716 -9.758 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.268 -9.279 6.648 1.00 0.00 H new ATOM 753 N LEU A 48 -12.309 -9.505 2.594 1.00 0.00 N ATOM 754 CA LEU A 48 -11.275 -10.516 2.456 1.00 0.00 C ATOM 755 C LEU A 48 -9.903 -9.840 2.465 1.00 0.00 C ATOM 756 O LEU A 48 -8.891 -10.486 2.731 1.00 0.00 O ATOM 757 CB LEU A 48 -11.529 -11.378 1.218 1.00 0.00 C ATOM 758 CG LEU A 48 -11.145 -12.854 1.337 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.687 -13.007 1.776 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.105 -13.596 2.269 1.00 0.00 C ATOM 0 H LEU A 48 -12.593 -9.064 1.719 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.298 -11.202 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.589 -11.318 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.980 -10.947 0.381 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.234 -13.311 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.439 -14.066 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.034 -12.534 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.547 -12.530 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.810 -14.643 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.071 -13.145 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.119 -13.529 1.875 1.00 0.00 H new ATOM 772 N VAL A 49 -9.913 -8.548 2.170 1.00 0.00 N ATOM 773 CA VAL A 49 -8.681 -7.778 2.139 1.00 0.00 C ATOM 774 C VAL A 49 -8.880 -6.477 2.921 1.00 0.00 C ATOM 775 O VAL A 49 -10.009 -6.023 3.101 1.00 0.00 O ATOM 776 CB VAL A 49 -8.246 -7.544 0.692 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.776 -7.124 0.622 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.503 -8.785 -0.165 1.00 0.00 C ATOM 0 H VAL A 49 -10.755 -8.015 1.950 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.874 -8.329 2.621 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.847 -6.728 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.492 -6.964 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.634 -6.200 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.153 -7.908 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.185 -8.592 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.940 -9.628 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.567 -9.021 -0.154 1.00 0.00 H new ATOM 788 N LYS A 50 -7.765 -5.915 3.364 1.00 0.00 N ATOM 789 CA LYS A 50 -7.802 -4.676 4.122 1.00 0.00 C ATOM 790 C LYS A 50 -6.960 -3.619 3.405 1.00 0.00 C ATOM 791 O LYS A 50 -5.770 -3.822 3.170 1.00 0.00 O ATOM 792 CB LYS A 50 -7.376 -4.922 5.572 1.00 0.00 C ATOM 793 CG LYS A 50 -7.692 -3.709 6.449 1.00 0.00 C ATOM 794 CD LYS A 50 -8.971 -3.936 7.258 1.00 0.00 C ATOM 795 CE LYS A 50 -9.310 -2.707 8.104 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.151 -3.090 9.261 1.00 0.00 N ATOM 0 H LYS A 50 -6.831 -6.295 3.213 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.821 -4.291 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.890 -5.801 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.308 -5.134 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.859 -3.518 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.805 -2.823 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.798 -4.157 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.847 -4.804 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.392 -2.235 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.834 -1.971 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.372 -2.244 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.035 -3.520 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.638 -3.775 9.852 1.00 0.00 H new ATOM 810 N TYR A 51 -7.611 -2.512 3.078 1.00 0.00 N ATOM 811 CA TYR A 51 -6.937 -1.423 2.391 1.00 0.00 C ATOM 812 C TYR A 51 -6.488 -0.347 3.382 1.00 0.00 C ATOM 813 O TYR A 51 -7.317 0.284 4.036 1.00 0.00 O ATOM 814 CB TYR A 51 -7.971 -0.822 1.437 1.00 0.00 C ATOM 815 CG TYR A 51 -8.074 -1.549 0.095 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.382 -2.894 0.060 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.860 -0.859 -1.081 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.478 -3.578 -1.203 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.957 -1.544 -2.345 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.262 -2.869 -2.343 1.00 0.00 C ATOM 821 OH TYR A 51 -8.355 -3.515 -3.537 1.00 0.00 O ATOM 0 H TYR A 51 -8.598 -2.346 3.276 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.051 -1.786 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.947 -0.834 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.718 0.223 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.551 -3.433 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.620 0.194 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.716 -4.631 -1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.791 -1.017 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.177 -2.884 -4.265 1.00 0.00 H new ATOM 831 N VAL A 52 -5.177 -0.169 3.460 1.00 0.00 N ATOM 832 CA VAL A 52 -4.608 0.821 4.359 1.00 0.00 C ATOM 833 C VAL A 52 -3.923 1.915 3.538 1.00 0.00 C ATOM 834 O VAL A 52 -2.788 1.744 3.096 1.00 0.00 O ATOM 835 CB VAL A 52 -3.667 0.142 5.356 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.345 1.072 6.527 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.254 -1.181 5.851 1.00 0.00 C ATOM 0 H VAL A 52 -4.493 -0.694 2.915 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.391 1.299 4.947 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.734 -0.079 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.675 0.565 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.864 1.976 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.267 1.339 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.565 -1.643 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.208 -0.994 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.408 -1.850 5.004 1.00 0.00 H new ATOM 847 N CYS A 53 -4.641 3.014 3.359 1.00 0.00 N ATOM 848 CA CYS A 53 -4.116 4.135 2.599 1.00 0.00 C ATOM 849 C CYS A 53 -3.482 5.125 3.579 1.00 0.00 C ATOM 850 O CYS A 53 -3.913 5.231 4.726 1.00 0.00 O ATOM 851 CB CYS A 53 -5.199 4.794 1.742 1.00 0.00 C ATOM 852 SG CYS A 53 -5.867 3.739 0.404 1.00 0.00 S ATOM 0 H CYS A 53 -5.582 3.152 3.727 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.358 3.781 1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.021 5.098 2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.790 5.702 1.299 1.00 0.00 H new ATOM 857 N CYS A 54 -2.469 5.825 3.091 1.00 0.00 N ATOM 858 CA CYS A 54 -1.771 6.802 3.909 1.00 0.00 C ATOM 859 C CYS A 54 -1.141 7.843 2.982 1.00 0.00 C ATOM 860 O CYS A 54 -1.149 7.679 1.763 1.00 0.00 O ATOM 861 CB CYS A 54 -0.731 6.141 4.816 1.00 0.00 C ATOM 862 SG CYS A 54 -0.161 4.495 4.258 1.00 0.00 S ATOM 0 H CYS A 54 -2.115 5.735 2.139 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.479 7.293 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.133 6.801 4.896 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.152 6.044 5.817 1.00 0.00 H new ATOM 867 N ASN A 55 -0.609 8.890 3.595 1.00 0.00 N ATOM 868 CA ASN A 55 0.025 9.958 2.839 1.00 0.00 C ATOM 869 C ASN A 55 1.354 10.326 3.502 1.00 0.00 C ATOM 870 O ASN A 55 1.852 11.436 3.326 1.00 0.00 O ATOM 871 CB ASN A 55 -0.853 11.210 2.813 1.00 0.00 C ATOM 872 CG ASN A 55 -0.839 11.918 4.170 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.562 11.332 5.202 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.153 13.209 4.109 1.00 0.00 N ATOM 0 H ASN A 55 -0.604 9.022 4.606 1.00 0.00 H new ATOM 0 HA ASN A 55 0.179 9.605 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.498 11.891 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.875 10.936 2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.172 13.770 4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.375 13.638 3.211 1.00 0.00 H new ATOM 881 N THR A 56 1.890 9.372 4.249 1.00 0.00 N ATOM 882 CA THR A 56 3.151 9.582 4.939 1.00 0.00 C ATOM 883 C THR A 56 4.281 8.838 4.224 1.00 0.00 C ATOM 884 O THR A 56 4.109 7.691 3.812 1.00 0.00 O ATOM 885 CB THR A 56 2.970 9.156 6.398 1.00 0.00 C ATOM 886 OG1 THR A 56 2.264 7.921 6.313 1.00 0.00 O ATOM 887 CG2 THR A 56 2.018 10.078 7.164 1.00 0.00 C ATOM 0 H THR A 56 1.474 8.452 4.391 1.00 0.00 H new ATOM 0 HA THR A 56 3.438 10.634 4.926 1.00 0.00 H new ATOM 0 HB THR A 56 3.940 9.142 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.105 7.572 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.925 9.731 8.193 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.412 11.094 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.038 10.066 6.687 1.00 0.00 H new ATOM 895 N ASP A 57 5.409 9.520 4.099 1.00 0.00 N ATOM 896 CA ASP A 57 6.566 8.938 3.441 1.00 0.00 C ATOM 897 C ASP A 57 7.026 7.705 4.223 1.00 0.00 C ATOM 898 O ASP A 57 7.392 7.809 5.392 1.00 0.00 O ATOM 899 CB ASP A 57 7.731 9.929 3.395 1.00 0.00 C ATOM 900 CG ASP A 57 7.365 11.334 2.913 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.034 11.454 1.713 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.425 12.256 3.754 1.00 0.00 O ATOM 0 H ASP A 57 5.547 10.471 4.442 1.00 0.00 H new ATOM 0 HA ASP A 57 6.277 8.673 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.164 10.005 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.505 9.527 2.741 1.00 0.00 H new ATOM 907 N ARG A 58 6.990 6.567 3.545 1.00 0.00 N ATOM 908 CA ARG A 58 7.398 5.316 4.161 1.00 0.00 C ATOM 909 C ARG A 58 6.320 4.825 5.130 1.00 0.00 C ATOM 910 O ARG A 58 6.633 4.274 6.185 1.00 0.00 O ATOM 911 CB ARG A 58 8.718 5.480 4.918 1.00 0.00 C ATOM 912 CG ARG A 58 9.664 6.422 4.172 1.00 0.00 C ATOM 913 CD ARG A 58 11.113 6.210 4.617 1.00 0.00 C ATOM 914 NE ARG A 58 11.518 7.285 5.550 1.00 0.00 N ATOM 915 CZ ARG A 58 12.539 7.184 6.413 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.263 6.058 6.467 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.835 8.210 7.223 1.00 0.00 N ATOM 0 H ARG A 58 6.685 6.485 2.575 1.00 0.00 H new ATOM 0 HA ARG A 58 7.537 4.584 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.523 5.871 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.193 4.507 5.044 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.581 6.252 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.372 7.456 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.215 5.239 5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.772 6.204 3.749 1.00 0.00 H new ATOM 0 HE ARG A 58 10.988 8.156 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.038 5.277 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.040 5.982 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.284 9.067 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.612 8.134 7.880 1.00 0.00 H new ATOM 931 N CYS A 59 5.074 5.043 4.738 1.00 0.00 N ATOM 932 CA CYS A 59 3.948 4.629 5.557 1.00 0.00 C ATOM 933 C CYS A 59 3.786 3.115 5.422 1.00 0.00 C ATOM 934 O CYS A 59 3.447 2.434 6.389 1.00 0.00 O ATOM 935 CB CYS A 59 2.667 5.377 5.179 1.00 0.00 C ATOM 936 SG CYS A 59 1.762 4.674 3.752 1.00 0.00 S ATOM 0 H CYS A 59 4.819 5.501 3.863 1.00 0.00 H new ATOM 0 HA CYS A 59 4.142 4.880 6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.002 5.390 6.043 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.920 6.413 4.956 1.00 0.00 H new ATOM 941 N ASN A 60 4.036 2.629 4.215 1.00 0.00 N ATOM 942 CA ASN A 60 3.922 1.208 3.941 1.00 0.00 C ATOM 943 C ASN A 60 5.308 0.565 4.016 1.00 0.00 C ATOM 944 O ASN A 60 5.750 0.158 5.090 1.00 0.00 O ATOM 945 CB ASN A 60 3.362 0.960 2.538 1.00 0.00 C ATOM 946 CG ASN A 60 4.393 1.317 1.466 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.489 1.773 1.748 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.983 1.084 0.222 1.00 0.00 N ATOM 0 H ASN A 60 4.317 3.196 3.415 1.00 0.00 H new ATOM 0 HA ASN A 60 3.248 0.776 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.074 -0.087 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.460 1.554 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.599 1.288 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.053 0.701 0.055 1.00 0.00 H new TER 955 ASN A 60