USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 469 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 31 ASN : amide:sc= -2.68! C(o=-7.6!,f=-18!) USER MOD Set 1.2: A 56 ASN : amide:sc= -4.93! C(o=-7.6!,f=-9.3!) USER MOD Single : A 1 ALA N :NH3+ -175:sc= -0.105 (180deg=-0.144) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=-0.14) USER MOD Single : A 11 ASN : amide:sc= -10.8! C(o=-11!,f=-4.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 21 SER OG : rot -74:sc= 1.23 USER MOD Single : A 22 SER OG : rot 96:sc= -0.58! USER MOD Single : A 23 TYR OH : rot -67:sc= 0.00478 USER MOD Single : A 25 ASN : amide:sc= -10.5! C(o=-11!,f=-3.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0551 (180deg=-0.561) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -14.7! C(o=-15!,f=-15!) USER MOD Single : A 43 THR OG1 : rot 160:sc= -2.34! USER MOD Single : A 44 TYR OH : rot 125:sc= 1.15 USER MOD Single : A 46 ASN : amide:sc= -3.69! C(o=-3.7!,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.654 8.716 4.687 1.00 0.00 N ATOM 2 CA ALA A 1 -6.441 9.581 4.745 1.00 0.00 C ATOM 3 C ALA A 1 -5.194 8.705 4.832 1.00 0.00 C ATOM 4 O ALA A 1 -4.081 9.179 4.724 1.00 0.00 O ATOM 5 CB ALA A 1 -6.517 10.485 5.977 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.496 9.309 4.543 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.564 8.044 3.898 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.749 8.191 5.580 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.390 10.196 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.630 11.117 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.407 11.111 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.568 9.871 6.876 1.00 0.00 H new ATOM 13 N ARG A 2 -5.372 7.429 5.029 1.00 0.00 N ATOM 14 CA ARG A 2 -4.197 6.522 5.126 1.00 0.00 C ATOM 15 C ARG A 2 -4.478 5.234 4.342 1.00 0.00 C ATOM 16 O ARG A 2 -5.600 4.964 3.958 1.00 0.00 O ATOM 17 CB ARG A 2 -3.947 6.182 6.596 1.00 0.00 C ATOM 18 CG ARG A 2 -5.120 5.363 7.137 1.00 0.00 C ATOM 19 CD ARG A 2 -5.002 5.243 8.658 1.00 0.00 C ATOM 20 NE ARG A 2 -6.075 4.343 9.169 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.301 4.782 9.268 1.00 0.00 C ATOM 22 NH1 ARG A 2 -7.586 6.007 8.921 1.00 0.00 N ATOM 23 NH2 ARG A 2 -8.241 3.995 9.715 1.00 0.00 N ATOM 0 H ARG A 2 -6.280 6.976 5.127 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.318 7.013 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.019 5.619 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.830 7.097 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.063 5.840 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.125 4.372 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.022 4.849 8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.087 6.227 9.119 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.852 3.386 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.851 6.622 8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.544 6.349 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.018 3.038 9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.199 4.337 9.793 1.00 0.00 H new ATOM 37 N ASP A 3 -3.472 4.435 4.108 1.00 0.00 N ATOM 38 CA ASP A 3 -3.685 3.162 3.360 1.00 0.00 C ATOM 39 C ASP A 3 -3.905 2.033 4.367 1.00 0.00 C ATOM 40 O ASP A 3 -3.359 2.050 5.452 1.00 0.00 O ATOM 41 CB ASP A 3 -2.453 2.856 2.509 1.00 0.00 C ATOM 42 CG ASP A 3 -2.283 3.944 1.447 1.00 0.00 C ATOM 43 OD1 ASP A 3 -3.228 4.683 1.230 1.00 0.00 O ATOM 44 OD2 ASP A 3 -1.210 4.019 0.871 1.00 0.00 O ATOM 0 H ASP A 3 -2.511 4.609 4.403 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.554 3.254 2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.565 2.807 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.560 1.881 2.033 1.00 0.00 H new ATOM 49 N ALA A 4 -4.709 1.061 4.027 1.00 0.00 N ATOM 50 CA ALA A 4 -4.975 -0.057 4.977 1.00 0.00 C ATOM 51 C ALA A 4 -4.324 -1.348 4.476 1.00 0.00 C ATOM 52 O ALA A 4 -3.244 -1.712 4.894 1.00 0.00 O ATOM 53 CB ALA A 4 -6.486 -0.267 5.098 1.00 0.00 C ATOM 0 H ALA A 4 -5.193 0.993 3.132 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.554 0.197 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.685 -1.084 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.952 0.646 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.899 -0.513 4.120 1.00 0.00 H new ATOM 59 N TYR A 5 -4.974 -2.052 3.597 1.00 0.00 N ATOM 60 CA TYR A 5 -4.393 -3.328 3.092 1.00 0.00 C ATOM 61 C TYR A 5 -3.730 -3.089 1.736 1.00 0.00 C ATOM 62 O TYR A 5 -3.292 -4.014 1.083 1.00 0.00 O ATOM 63 CB TYR A 5 -5.513 -4.358 2.933 1.00 0.00 C ATOM 64 CG TYR A 5 -6.324 -4.417 4.204 1.00 0.00 C ATOM 65 CD1 TYR A 5 -5.962 -5.300 5.227 1.00 0.00 C ATOM 66 CD2 TYR A 5 -7.442 -3.588 4.356 1.00 0.00 C ATOM 67 CE1 TYR A 5 -6.717 -5.355 6.404 1.00 0.00 C ATOM 68 CE2 TYR A 5 -8.197 -3.642 5.534 1.00 0.00 C ATOM 69 CZ TYR A 5 -7.835 -4.526 6.558 1.00 0.00 C ATOM 70 OH TYR A 5 -8.580 -4.580 7.719 1.00 0.00 O ATOM 0 H TYR A 5 -5.882 -1.802 3.205 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.648 -3.695 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.153 -4.089 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.092 -5.339 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.100 -5.939 5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.722 -2.908 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.437 -6.037 7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.059 -3.002 5.653 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.320 -3.940 7.663 1.00 0.00 H new ATOM 80 N ILE A 6 -3.658 -1.856 1.308 1.00 0.00 N ATOM 81 CA ILE A 6 -3.036 -1.553 -0.011 1.00 0.00 C ATOM 82 C ILE A 6 -1.795 -0.677 0.172 1.00 0.00 C ATOM 83 O ILE A 6 -1.633 -0.009 1.174 1.00 0.00 O ATOM 84 CB ILE A 6 -4.054 -0.819 -0.890 1.00 0.00 C ATOM 85 CG1 ILE A 6 -4.430 0.523 -0.251 1.00 0.00 C ATOM 86 CG2 ILE A 6 -5.311 -1.678 -1.040 1.00 0.00 C ATOM 87 CD1 ILE A 6 -5.360 1.287 -1.193 1.00 0.00 C ATOM 0 H ILE A 6 -4.005 -1.044 1.818 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.738 -2.487 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.612 -0.638 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.921 0.358 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.532 1.109 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.036 -1.156 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.049 -2.629 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.745 -1.862 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.630 2.242 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.852 1.464 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.262 0.701 -1.368 1.00 0.00 H new ATOM 99 N ALA A 7 -0.926 -0.675 -0.802 1.00 0.00 N ATOM 100 CA ALA A 7 0.306 0.155 -0.717 1.00 0.00 C ATOM 101 C ALA A 7 0.354 1.089 -1.927 1.00 0.00 C ATOM 102 O ALA A 7 1.030 2.099 -1.921 1.00 0.00 O ATOM 103 CB ALA A 7 1.537 -0.753 -0.723 1.00 0.00 C ATOM 0 H ALA A 7 -1.019 -1.218 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 7 0.297 0.739 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.439 -0.144 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.495 -1.428 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.555 -1.335 -1.644 1.00 0.00 H new ATOM 109 N LYS A 8 -0.368 0.754 -2.964 1.00 0.00 N ATOM 110 CA LYS A 8 -0.383 1.608 -4.183 1.00 0.00 C ATOM 111 C LYS A 8 -1.834 1.972 -4.516 1.00 0.00 C ATOM 112 O LYS A 8 -2.758 1.332 -4.053 1.00 0.00 O ATOM 113 CB LYS A 8 0.240 0.838 -5.352 1.00 0.00 C ATOM 114 CG LYS A 8 0.993 -0.385 -4.818 1.00 0.00 C ATOM 115 CD LYS A 8 1.938 -0.920 -5.899 1.00 0.00 C ATOM 116 CE LYS A 8 1.121 -1.581 -7.010 1.00 0.00 C ATOM 117 NZ LYS A 8 2.043 -2.248 -7.973 1.00 0.00 N ATOM 0 H LYS A 8 -0.951 -0.081 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 8 0.192 2.517 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.537 0.524 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.921 1.485 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.560 -0.115 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.285 -1.160 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.537 -0.106 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.632 -1.640 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.432 -2.311 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.517 -0.834 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.489 -2.698 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.683 -1.541 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.601 -2.971 -7.475 1.00 0.00 H new ATOM 131 N PRO A 9 -2.038 2.997 -5.304 1.00 0.00 N ATOM 132 CA PRO A 9 -3.406 3.451 -5.688 1.00 0.00 C ATOM 133 C PRO A 9 -4.053 2.560 -6.753 1.00 0.00 C ATOM 134 O PRO A 9 -5.042 1.898 -6.506 1.00 0.00 O ATOM 135 CB PRO A 9 -3.173 4.853 -6.248 1.00 0.00 C ATOM 136 CG PRO A 9 -1.772 4.845 -6.762 1.00 0.00 C ATOM 137 CD PRO A 9 -0.993 3.838 -5.912 1.00 0.00 C ATOM 0 HA PRO A 9 -4.089 3.417 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.882 5.081 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.304 5.611 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.748 4.562 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.328 5.838 -6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.310 3.246 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.392 4.338 -5.153 1.00 0.00 H new ATOM 145 N HIS A 10 -3.515 2.553 -7.940 1.00 0.00 N ATOM 146 CA HIS A 10 -4.108 1.721 -9.023 1.00 0.00 C ATOM 147 C HIS A 10 -4.176 0.253 -8.593 1.00 0.00 C ATOM 148 O HIS A 10 -5.130 -0.440 -8.885 1.00 0.00 O ATOM 149 CB HIS A 10 -3.250 1.844 -10.284 1.00 0.00 C ATOM 150 CG HIS A 10 -3.196 3.284 -10.712 1.00 0.00 C ATOM 151 ND1 HIS A 10 -4.341 4.053 -10.865 1.00 0.00 N ATOM 152 CD2 HIS A 10 -2.144 4.109 -11.027 1.00 0.00 C ATOM 153 CE1 HIS A 10 -3.954 5.282 -11.256 1.00 0.00 C ATOM 154 NE2 HIS A 10 -2.628 5.366 -11.369 1.00 0.00 N ATOM 0 H HIS A 10 -2.689 3.088 -8.207 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.119 2.074 -9.227 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.244 1.473 -10.090 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.668 1.231 -11.083 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.102 3.825 -11.011 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.633 6.098 -11.454 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.083 6.182 -11.648 1.00 0.00 H new ATOM 163 N ASN A 11 -3.169 -0.232 -7.915 1.00 0.00 N ATOM 164 CA ASN A 11 -3.182 -1.662 -7.487 1.00 0.00 C ATOM 165 C ASN A 11 -2.748 -1.777 -6.023 1.00 0.00 C ATOM 166 O ASN A 11 -2.344 -0.813 -5.405 1.00 0.00 O ATOM 167 CB ASN A 11 -2.218 -2.462 -8.366 1.00 0.00 C ATOM 168 CG ASN A 11 -2.521 -2.181 -9.838 1.00 0.00 C ATOM 169 OD1 ASN A 11 -2.717 -3.094 -10.616 1.00 0.00 O ATOM 170 ND2 ASN A 11 -2.567 -0.946 -10.257 1.00 0.00 N ATOM 0 H ASN A 11 -2.342 0.297 -7.640 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.193 -2.057 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.188 -2.189 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.319 -3.527 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.767 -0.747 -11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.403 -0.180 -9.604 1.00 0.00 H new ATOM 177 N CYS A 12 -2.831 -2.956 -5.469 1.00 0.00 N ATOM 178 CA CYS A 12 -2.428 -3.154 -4.047 1.00 0.00 C ATOM 179 C CYS A 12 -1.115 -3.939 -4.001 1.00 0.00 C ATOM 180 O CYS A 12 -0.645 -4.436 -5.005 1.00 0.00 O ATOM 181 CB CYS A 12 -3.514 -3.946 -3.314 1.00 0.00 C ATOM 182 SG CYS A 12 -5.142 -3.270 -3.722 1.00 0.00 S ATOM 0 H CYS A 12 -3.163 -3.796 -5.943 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.297 -2.184 -3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.465 -4.997 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.349 -3.898 -2.238 1.00 0.00 H new ATOM 187 N VAL A 13 -0.518 -4.056 -2.846 1.00 0.00 N ATOM 188 CA VAL A 13 0.762 -4.813 -2.749 1.00 0.00 C ATOM 189 C VAL A 13 0.598 -6.163 -3.451 1.00 0.00 C ATOM 190 O VAL A 13 -0.394 -6.843 -3.283 1.00 0.00 O ATOM 191 CB VAL A 13 1.115 -5.036 -1.275 1.00 0.00 C ATOM 192 CG1 VAL A 13 0.389 -6.277 -0.754 1.00 0.00 C ATOM 193 CG2 VAL A 13 2.625 -5.236 -1.139 1.00 0.00 C ATOM 0 H VAL A 13 -0.859 -3.662 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 13 1.562 -4.247 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 13 0.807 -4.167 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.642 -6.433 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.688 -6.136 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.694 -7.148 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.878 -5.395 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.931 -6.105 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.144 -4.351 -1.507 1.00 0.00 H new ATOM 203 N TYR A 14 1.558 -6.557 -4.242 1.00 0.00 N ATOM 204 CA TYR A 14 1.441 -7.861 -4.954 1.00 0.00 C ATOM 205 C TYR A 14 1.555 -9.002 -3.943 1.00 0.00 C ATOM 206 O TYR A 14 0.728 -9.890 -3.902 1.00 0.00 O ATOM 207 CB TYR A 14 2.559 -7.977 -5.994 1.00 0.00 C ATOM 208 CG TYR A 14 3.861 -8.329 -5.312 1.00 0.00 C ATOM 209 CD1 TYR A 14 4.621 -7.329 -4.696 1.00 0.00 C ATOM 210 CD2 TYR A 14 4.308 -9.656 -5.302 1.00 0.00 C ATOM 211 CE1 TYR A 14 5.832 -7.655 -4.069 1.00 0.00 C ATOM 212 CE2 TYR A 14 5.517 -9.981 -4.674 1.00 0.00 C ATOM 213 CZ TYR A 14 6.278 -8.982 -4.059 1.00 0.00 C ATOM 214 OH TYR A 14 7.469 -9.304 -3.441 1.00 0.00 O ATOM 0 H TYR A 14 2.415 -6.035 -4.426 1.00 0.00 H new ATOM 0 HA TYR A 14 0.476 -7.919 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.306 -8.740 -6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.664 -7.036 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.275 -6.306 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.721 -10.428 -5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.420 -6.883 -3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.862 -11.004 -4.665 1.00 0.00 H new ATOM 0 HH TYR A 14 7.631 -10.267 -3.524 1.00 0.00 H new ATOM 224 N GLU A 15 2.567 -8.972 -3.119 1.00 0.00 N ATOM 225 CA GLU A 15 2.743 -10.043 -2.096 1.00 0.00 C ATOM 226 C GLU A 15 3.965 -9.716 -1.237 1.00 0.00 C ATOM 227 O GLU A 15 5.076 -10.086 -1.560 1.00 0.00 O ATOM 228 CB GLU A 15 2.959 -11.397 -2.783 1.00 0.00 C ATOM 229 CG GLU A 15 3.010 -12.502 -1.725 1.00 0.00 C ATOM 230 CD GLU A 15 1.625 -12.673 -1.098 1.00 0.00 C ATOM 231 OE1 GLU A 15 0.654 -12.331 -1.752 1.00 0.00 O ATOM 232 OE2 GLU A 15 1.560 -13.144 0.026 1.00 0.00 O ATOM 0 H GLU A 15 3.284 -8.247 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 15 1.849 -10.096 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.152 -11.592 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.887 -11.383 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.334 -13.439 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.740 -12.250 -0.956 1.00 0.00 H new ATOM 239 N CYS A 16 3.772 -9.028 -0.146 1.00 0.00 N ATOM 240 CA CYS A 16 4.932 -8.687 0.724 1.00 0.00 C ATOM 241 C CYS A 16 5.681 -9.973 1.079 1.00 0.00 C ATOM 242 O CYS A 16 5.301 -10.700 1.974 1.00 0.00 O ATOM 243 CB CYS A 16 4.428 -8.009 1.999 1.00 0.00 C ATOM 244 SG CYS A 16 5.830 -7.313 2.907 1.00 0.00 S ATOM 0 H CYS A 16 2.867 -8.689 0.179 1.00 0.00 H new ATOM 0 HA CYS A 16 5.604 -8.007 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.717 -7.222 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.899 -8.730 2.622 1.00 0.00 H new ATOM 249 N PHE A 17 6.737 -10.263 0.369 1.00 0.00 N ATOM 250 CA PHE A 17 7.508 -11.507 0.646 1.00 0.00 C ATOM 251 C PHE A 17 8.367 -11.313 1.895 1.00 0.00 C ATOM 252 O PHE A 17 8.407 -12.154 2.771 1.00 0.00 O ATOM 253 CB PHE A 17 8.399 -11.827 -0.556 1.00 0.00 C ATOM 254 CG PHE A 17 9.578 -10.881 -0.594 1.00 0.00 C ATOM 255 CD1 PHE A 17 9.410 -9.561 -1.035 1.00 0.00 C ATOM 256 CD2 PHE A 17 10.841 -11.327 -0.188 1.00 0.00 C ATOM 257 CE1 PHE A 17 10.506 -8.690 -1.070 1.00 0.00 C ATOM 258 CE2 PHE A 17 11.937 -10.457 -0.225 1.00 0.00 C ATOM 259 CZ PHE A 17 11.769 -9.139 -0.666 1.00 0.00 C ATOM 0 H PHE A 17 7.100 -9.690 -0.393 1.00 0.00 H new ATOM 0 HA PHE A 17 6.819 -12.335 0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.751 -12.857 -0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.824 -11.741 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.436 -9.216 -1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.970 -12.343 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.377 -7.673 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.912 -10.802 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.615 -8.468 -0.695 1.00 0.00 H new ATOM 269 N ASP A 18 9.050 -10.208 1.986 1.00 0.00 N ATOM 270 CA ASP A 18 9.898 -9.956 3.181 1.00 0.00 C ATOM 271 C ASP A 18 9.878 -8.463 3.502 1.00 0.00 C ATOM 272 O ASP A 18 10.557 -7.675 2.874 1.00 0.00 O ATOM 273 CB ASP A 18 11.336 -10.394 2.898 1.00 0.00 C ATOM 274 CG ASP A 18 12.141 -10.374 4.199 1.00 0.00 C ATOM 275 OD1 ASP A 18 11.547 -10.128 5.236 1.00 0.00 O ATOM 276 OD2 ASP A 18 13.337 -10.606 4.136 1.00 0.00 O ATOM 0 H ASP A 18 9.057 -9.468 1.284 1.00 0.00 H new ATOM 0 HA ASP A 18 9.510 -10.523 4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.344 -11.396 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.793 -9.729 2.165 1.00 0.00 H new ATOM 281 N ALA A 19 9.105 -8.065 4.471 1.00 0.00 N ATOM 282 CA ALA A 19 9.048 -6.621 4.823 1.00 0.00 C ATOM 283 C ALA A 19 10.440 -6.156 5.248 1.00 0.00 C ATOM 284 O ALA A 19 10.771 -4.990 5.151 1.00 0.00 O ATOM 285 CB ALA A 19 8.058 -6.407 5.965 1.00 0.00 C ATOM 0 H ALA A 19 8.512 -8.675 5.033 1.00 0.00 H new ATOM 0 HA ALA A 19 8.719 -6.045 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.020 -5.348 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.068 -6.742 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.379 -6.978 6.836 1.00 0.00 H new ATOM 291 N PHE A 20 11.267 -7.057 5.708 1.00 0.00 N ATOM 292 CA PHE A 20 12.638 -6.654 6.121 1.00 0.00 C ATOM 293 C PHE A 20 13.275 -5.878 4.971 1.00 0.00 C ATOM 294 O PHE A 20 13.907 -4.859 5.167 1.00 0.00 O ATOM 295 CB PHE A 20 13.472 -7.902 6.425 1.00 0.00 C ATOM 296 CG PHE A 20 14.818 -7.486 6.971 1.00 0.00 C ATOM 297 CD1 PHE A 20 14.968 -7.217 8.336 1.00 0.00 C ATOM 298 CD2 PHE A 20 15.916 -7.370 6.110 1.00 0.00 C ATOM 299 CE1 PHE A 20 16.215 -6.831 8.841 1.00 0.00 C ATOM 300 CE2 PHE A 20 17.164 -6.985 6.615 1.00 0.00 C ATOM 301 CZ PHE A 20 17.312 -6.716 7.981 1.00 0.00 C ATOM 0 H PHE A 20 11.052 -8.048 5.814 1.00 0.00 H new ATOM 0 HA PHE A 20 12.595 -6.033 7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.953 -8.532 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.602 -8.495 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.121 -7.307 9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.800 -7.577 5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.330 -6.622 9.894 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.011 -6.896 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.274 -6.419 8.371 1.00 0.00 H new ATOM 311 N SER A 21 13.091 -6.342 3.765 1.00 0.00 N ATOM 312 CA SER A 21 13.659 -5.621 2.594 1.00 0.00 C ATOM 313 C SER A 21 12.952 -4.271 2.476 1.00 0.00 C ATOM 314 O SER A 21 13.409 -3.370 1.802 1.00 0.00 O ATOM 315 CB SER A 21 13.425 -6.438 1.323 1.00 0.00 C ATOM 316 OG SER A 21 12.036 -6.453 1.023 1.00 0.00 O ATOM 0 H SER A 21 12.571 -7.190 3.541 1.00 0.00 H new ATOM 0 HA SER A 21 14.731 -5.475 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.984 -6.007 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.790 -7.456 1.459 1.00 0.00 H new ATOM 0 HG SER A 21 11.572 -7.047 1.649 1.00 0.00 H new ATOM 322 N SER A 22 11.835 -4.132 3.138 1.00 0.00 N ATOM 323 CA SER A 22 11.079 -2.851 3.088 1.00 0.00 C ATOM 324 C SER A 22 10.412 -2.689 1.720 1.00 0.00 C ATOM 325 O SER A 22 10.358 -1.606 1.173 1.00 0.00 O ATOM 326 CB SER A 22 12.037 -1.683 3.330 1.00 0.00 C ATOM 327 OG SER A 22 13.246 -2.173 3.895 1.00 0.00 O ATOM 0 H SER A 22 11.412 -4.858 3.716 1.00 0.00 H new ATOM 0 HA SER A 22 10.310 -2.860 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.244 -1.168 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.579 -0.955 3.999 1.00 0.00 H new ATOM 0 HG SER A 22 13.910 -2.303 3.186 1.00 0.00 H new ATOM 333 N TYR A 23 9.891 -3.751 1.163 1.00 0.00 N ATOM 334 CA TYR A 23 9.223 -3.625 -0.162 1.00 0.00 C ATOM 335 C TYR A 23 8.050 -2.654 -0.039 1.00 0.00 C ATOM 336 O TYR A 23 8.013 -1.621 -0.680 1.00 0.00 O ATOM 337 CB TYR A 23 8.696 -4.987 -0.612 1.00 0.00 C ATOM 338 CG TYR A 23 8.068 -4.844 -1.976 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.712 -4.512 -2.087 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.839 -5.032 -3.128 1.00 0.00 C ATOM 341 CE1 TYR A 23 6.127 -4.370 -3.351 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.255 -4.888 -4.393 1.00 0.00 C ATOM 343 CZ TYR A 23 6.898 -4.558 -4.504 1.00 0.00 C ATOM 344 OH TYR A 23 6.323 -4.416 -5.750 1.00 0.00 O ATOM 0 H TYR A 23 9.899 -4.689 1.564 1.00 0.00 H new ATOM 0 HA TYR A 23 9.942 -3.257 -0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.509 -5.713 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.963 -5.362 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.117 -4.365 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.885 -5.288 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.081 -4.115 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.851 -5.031 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 23 5.666 -5.129 -5.890 1.00 0.00 H new ATOM 354 N CYS A 24 7.100 -2.968 0.797 1.00 0.00 N ATOM 355 CA CYS A 24 5.938 -2.056 0.978 1.00 0.00 C ATOM 356 C CYS A 24 6.407 -0.804 1.714 1.00 0.00 C ATOM 357 O CYS A 24 6.132 0.309 1.311 1.00 0.00 O ATOM 358 CB CYS A 24 4.848 -2.753 1.793 1.00 0.00 C ATOM 359 SG CYS A 24 3.277 -1.881 1.563 1.00 0.00 S ATOM 0 H CYS A 24 7.079 -3.817 1.362 1.00 0.00 H new ATOM 0 HA CYS A 24 5.529 -1.786 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.750 -3.792 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.119 -2.765 2.849 1.00 0.00 H new ATOM 364 N ASN A 25 7.121 -0.982 2.789 1.00 0.00 N ATOM 365 CA ASN A 25 7.619 0.192 3.553 1.00 0.00 C ATOM 366 C ASN A 25 8.464 1.057 2.622 1.00 0.00 C ATOM 367 O ASN A 25 8.411 2.271 2.660 1.00 0.00 O ATOM 368 CB ASN A 25 8.478 -0.288 4.725 1.00 0.00 C ATOM 369 CG ASN A 25 7.632 -1.158 5.653 1.00 0.00 C ATOM 370 OD1 ASN A 25 8.089 -1.578 6.697 1.00 0.00 O ATOM 371 ND2 ASN A 25 6.407 -1.458 5.312 1.00 0.00 N ATOM 0 H ASN A 25 7.381 -1.891 3.171 1.00 0.00 H new ATOM 0 HA ASN A 25 6.779 0.770 3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.332 -0.855 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.876 0.567 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.837 -2.044 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.021 -1.106 4.436 1.00 0.00 H new ATOM 378 N GLY A 26 9.237 0.435 1.775 1.00 0.00 N ATOM 379 CA GLY A 26 10.081 1.214 0.829 1.00 0.00 C ATOM 380 C GLY A 26 9.178 2.046 -0.082 1.00 0.00 C ATOM 381 O GLY A 26 9.472 3.182 -0.394 1.00 0.00 O ATOM 0 H GLY A 26 9.320 -0.579 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.760 1.864 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.697 0.541 0.233 1.00 0.00 H new ATOM 385 N VAL A 27 8.076 1.488 -0.507 1.00 0.00 N ATOM 386 CA VAL A 27 7.153 2.248 -1.394 1.00 0.00 C ATOM 387 C VAL A 27 6.632 3.480 -0.654 1.00 0.00 C ATOM 388 O VAL A 27 6.534 4.556 -1.211 1.00 0.00 O ATOM 389 CB VAL A 27 5.974 1.356 -1.789 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.935 2.185 -2.545 1.00 0.00 C ATOM 391 CG2 VAL A 27 6.473 0.223 -2.690 1.00 0.00 C ATOM 0 H VAL A 27 7.777 0.540 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 27 7.689 2.561 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 27 5.520 0.937 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.096 1.548 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.579 2.993 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.388 2.605 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.634 -0.414 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.927 0.644 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.214 -0.370 -2.153 1.00 0.00 H new ATOM 401 N CYS A 28 6.300 3.334 0.599 1.00 0.00 N ATOM 402 CA CYS A 28 5.788 4.499 1.374 1.00 0.00 C ATOM 403 C CYS A 28 6.857 5.591 1.421 1.00 0.00 C ATOM 404 O CYS A 28 6.567 6.763 1.287 1.00 0.00 O ATOM 405 CB CYS A 28 5.449 4.056 2.799 1.00 0.00 C ATOM 406 SG CYS A 28 3.875 3.162 2.798 1.00 0.00 S ATOM 0 H CYS A 28 6.361 2.459 1.119 1.00 0.00 H new ATOM 0 HA CYS A 28 4.892 4.889 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.241 3.418 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.385 4.924 3.455 1.00 0.00 H new ATOM 411 N THR A 29 8.092 5.218 1.609 1.00 0.00 N ATOM 412 CA THR A 29 9.174 6.241 1.661 1.00 0.00 C ATOM 413 C THR A 29 9.178 7.033 0.354 1.00 0.00 C ATOM 414 O THR A 29 9.148 8.247 0.348 1.00 0.00 O ATOM 415 CB THR A 29 10.524 5.540 1.828 1.00 0.00 C ATOM 416 OG1 THR A 29 10.475 4.686 2.962 1.00 0.00 O ATOM 417 CG2 THR A 29 11.624 6.586 2.020 1.00 0.00 C ATOM 0 H THR A 29 8.399 4.253 1.729 1.00 0.00 H new ATOM 0 HA THR A 29 9.003 6.915 2.501 1.00 0.00 H new ATOM 0 HB THR A 29 10.740 4.949 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.338 4.235 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.585 6.086 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.661 7.240 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.411 7.179 2.910 1.00 0.00 H new ATOM 425 N LYS A 30 9.202 6.347 -0.752 1.00 0.00 N ATOM 426 CA LYS A 30 9.195 7.043 -2.068 1.00 0.00 C ATOM 427 C LYS A 30 7.843 7.728 -2.265 1.00 0.00 C ATOM 428 O LYS A 30 7.757 8.831 -2.767 1.00 0.00 O ATOM 429 CB LYS A 30 9.425 6.012 -3.172 1.00 0.00 C ATOM 430 CG LYS A 30 10.859 5.488 -3.077 1.00 0.00 C ATOM 431 CD LYS A 30 10.867 3.977 -3.308 1.00 0.00 C ATOM 432 CE LYS A 30 12.277 3.524 -3.689 1.00 0.00 C ATOM 433 NZ LYS A 30 12.330 2.035 -3.720 1.00 0.00 N ATOM 0 H LYS A 30 9.226 5.329 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 30 9.984 7.794 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.717 5.190 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.253 6.463 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.488 5.983 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.278 5.719 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.539 3.459 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.164 3.716 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.549 3.928 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.001 3.909 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.289 1.727 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.088 1.659 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.650 1.678 -4.422 1.00 0.00 H new ATOM 447 N ASN A 31 6.787 7.077 -1.863 1.00 0.00 N ATOM 448 CA ASN A 31 5.432 7.675 -2.010 1.00 0.00 C ATOM 449 C ASN A 31 5.378 8.997 -1.244 1.00 0.00 C ATOM 450 O ASN A 31 4.668 9.912 -1.611 1.00 0.00 O ATOM 451 CB ASN A 31 4.387 6.712 -1.443 1.00 0.00 C ATOM 452 CG ASN A 31 2.992 7.136 -1.909 1.00 0.00 C ATOM 453 OD1 ASN A 31 2.858 8.007 -2.746 1.00 0.00 O ATOM 454 ND2 ASN A 31 1.942 6.553 -1.400 1.00 0.00 N ATOM 0 H ASN A 31 6.805 6.151 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 31 5.223 7.856 -3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.598 5.695 -1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 31 4.433 6.710 -0.354 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.008 6.828 -1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.055 5.822 -0.698 1.00 0.00 H new ATOM 461 N GLY A 32 6.120 9.099 -0.176 1.00 0.00 N ATOM 462 CA GLY A 32 6.111 10.355 0.625 1.00 0.00 C ATOM 463 C GLY A 32 5.253 10.150 1.874 1.00 0.00 C ATOM 464 O GLY A 32 5.100 11.039 2.688 1.00 0.00 O ATOM 0 H GLY A 32 6.734 8.365 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.128 10.627 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.716 11.178 0.029 1.00 0.00 H new ATOM 468 N ALA A 33 4.697 8.981 2.032 1.00 0.00 N ATOM 469 CA ALA A 33 3.854 8.712 3.230 1.00 0.00 C ATOM 470 C ALA A 33 4.725 8.784 4.485 1.00 0.00 C ATOM 471 O ALA A 33 5.904 8.494 4.453 1.00 0.00 O ATOM 472 CB ALA A 33 3.232 7.319 3.117 1.00 0.00 C ATOM 0 H ALA A 33 4.790 8.200 1.383 1.00 0.00 H new ATOM 0 HA ALA A 33 3.060 9.456 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.615 7.124 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.614 7.268 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.023 6.571 3.055 1.00 0.00 H new ATOM 478 N LYS A 34 4.156 9.179 5.590 1.00 0.00 N ATOM 479 CA LYS A 34 4.953 9.280 6.845 1.00 0.00 C ATOM 480 C LYS A 34 5.578 7.923 7.187 1.00 0.00 C ATOM 481 O LYS A 34 6.754 7.829 7.475 1.00 0.00 O ATOM 482 CB LYS A 34 4.035 9.703 7.992 1.00 0.00 C ATOM 483 CG LYS A 34 4.866 9.937 9.259 1.00 0.00 C ATOM 484 CD LYS A 34 4.156 9.307 10.460 1.00 0.00 C ATOM 485 CE LYS A 34 2.853 10.060 10.738 1.00 0.00 C ATOM 486 NZ LYS A 34 3.167 11.449 11.181 1.00 0.00 N ATOM 0 H LYS A 34 3.173 9.436 5.678 1.00 0.00 H new ATOM 0 HA LYS A 34 5.744 10.016 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.498 10.613 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.286 8.933 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.859 9.502 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.004 11.006 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.945 8.256 10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.802 9.342 11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.236 10.084 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.278 9.543 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.361 11.834 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.010 11.437 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.350 12.046 10.349 1.00 0.00 H new ATOM 500 N SER A 35 4.802 6.873 7.174 1.00 0.00 N ATOM 501 CA SER A 35 5.366 5.537 7.518 1.00 0.00 C ATOM 502 C SER A 35 4.720 4.454 6.656 1.00 0.00 C ATOM 503 O SER A 35 3.678 4.653 6.065 1.00 0.00 O ATOM 504 CB SER A 35 5.105 5.239 8.994 1.00 0.00 C ATOM 505 OG SER A 35 5.710 6.248 9.791 1.00 0.00 O ATOM 0 H SER A 35 3.809 6.882 6.942 1.00 0.00 H new ATOM 0 HA SER A 35 6.440 5.545 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.033 5.203 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.509 4.261 9.256 1.00 0.00 H new ATOM 0 HG SER A 35 5.543 6.061 10.738 1.00 0.00 H new ATOM 511 N GLY A 36 5.333 3.303 6.586 1.00 0.00 N ATOM 512 CA GLY A 36 4.761 2.199 5.768 1.00 0.00 C ATOM 513 C GLY A 36 4.988 0.856 6.466 1.00 0.00 C ATOM 514 O GLY A 36 6.098 0.514 6.824 1.00 0.00 O ATOM 0 H GLY A 36 6.207 3.081 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.694 2.363 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.225 2.188 4.782 1.00 0.00 H new ATOM 518 N TYR A 37 3.944 0.094 6.660 1.00 0.00 N ATOM 519 CA TYR A 37 4.091 -1.232 7.330 1.00 0.00 C ATOM 520 C TYR A 37 3.481 -2.322 6.447 1.00 0.00 C ATOM 521 O TYR A 37 2.400 -2.165 5.908 1.00 0.00 O ATOM 522 CB TYR A 37 3.369 -1.202 8.675 1.00 0.00 C ATOM 523 CG TYR A 37 3.948 -0.102 9.532 1.00 0.00 C ATOM 524 CD1 TYR A 37 5.069 -0.354 10.331 1.00 0.00 C ATOM 525 CD2 TYR A 37 3.362 1.169 9.528 1.00 0.00 C ATOM 526 CE1 TYR A 37 5.605 0.666 11.126 1.00 0.00 C ATOM 527 CE2 TYR A 37 3.898 2.189 10.323 1.00 0.00 C ATOM 528 CZ TYR A 37 5.020 1.937 11.122 1.00 0.00 C ATOM 529 OH TYR A 37 5.548 2.943 11.907 1.00 0.00 O ATOM 0 H TYR A 37 2.992 0.334 6.382 1.00 0.00 H new ATOM 0 HA TYR A 37 5.148 -1.445 7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.302 -1.037 8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.474 -2.163 9.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.520 -1.335 10.334 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.497 1.363 8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.470 0.472 11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.446 3.170 10.320 1.00 0.00 H new ATOM 0 HH TYR A 37 5.024 3.762 11.786 1.00 0.00 H new ATOM 539 N CYS A 38 4.164 -3.428 6.298 1.00 0.00 N ATOM 540 CA CYS A 38 3.627 -4.532 5.452 1.00 0.00 C ATOM 541 C CYS A 38 3.236 -5.718 6.332 1.00 0.00 C ATOM 542 O CYS A 38 4.001 -6.175 7.159 1.00 0.00 O ATOM 543 CB CYS A 38 4.695 -4.973 4.450 1.00 0.00 C ATOM 544 SG CYS A 38 5.043 -6.735 4.675 1.00 0.00 S ATOM 0 H CYS A 38 5.071 -3.613 6.727 1.00 0.00 H new ATOM 0 HA CYS A 38 2.747 -4.176 4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.353 -4.786 3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.605 -4.391 4.593 1.00 0.00 H new ATOM 549 N GLN A 39 2.049 -6.220 6.153 1.00 0.00 N ATOM 550 CA GLN A 39 1.588 -7.381 6.963 1.00 0.00 C ATOM 551 C GLN A 39 0.935 -8.405 6.036 1.00 0.00 C ATOM 552 O GLN A 39 0.664 -8.124 4.885 1.00 0.00 O ATOM 553 CB GLN A 39 0.568 -6.908 7.997 1.00 0.00 C ATOM 554 CG GLN A 39 1.052 -5.598 8.622 1.00 0.00 C ATOM 555 CD GLN A 39 0.569 -4.415 7.777 1.00 0.00 C ATOM 556 OE1 GLN A 39 1.293 -3.460 7.583 1.00 0.00 O ATOM 557 NE2 GLN A 39 -0.633 -4.436 7.264 1.00 0.00 N ATOM 0 H GLN A 39 1.371 -5.873 5.474 1.00 0.00 H new ATOM 0 HA GLN A 39 2.437 -7.834 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.404 -6.762 7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.437 -7.666 8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.674 -5.508 9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.140 -5.593 8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.243 -5.238 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.961 -3.651 6.702 1.00 0.00 H new ATOM 566 N ILE A 40 0.677 -9.588 6.520 1.00 0.00 N ATOM 567 CA ILE A 40 0.042 -10.615 5.650 1.00 0.00 C ATOM 568 C ILE A 40 -1.462 -10.664 5.928 1.00 0.00 C ATOM 569 O ILE A 40 -1.899 -10.683 7.062 1.00 0.00 O ATOM 570 CB ILE A 40 0.677 -11.983 5.927 1.00 0.00 C ATOM 571 CG1 ILE A 40 0.307 -12.458 7.337 1.00 0.00 C ATOM 572 CG2 ILE A 40 2.198 -11.869 5.816 1.00 0.00 C ATOM 573 CD1 ILE A 40 1.018 -13.780 7.629 1.00 0.00 C ATOM 0 H ILE A 40 0.877 -9.886 7.475 1.00 0.00 H new ATOM 0 HA ILE A 40 0.199 -10.356 4.603 1.00 0.00 H new ATOM 0 HB ILE A 40 0.306 -12.702 5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.594 -11.707 8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.772 -12.587 7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.651 -12.841 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.466 -11.540 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.563 -11.145 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.757 -14.120 8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.708 -14.528 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.096 -13.635 7.565 1.00 0.00 H new ATOM 585 N LEU A 41 -2.256 -10.675 4.893 1.00 0.00 N ATOM 586 CA LEU A 41 -3.733 -10.719 5.078 1.00 0.00 C ATOM 587 C LEU A 41 -4.121 -12.038 5.749 1.00 0.00 C ATOM 588 O LEU A 41 -5.102 -12.122 6.462 1.00 0.00 O ATOM 589 CB LEU A 41 -4.422 -10.619 3.715 1.00 0.00 C ATOM 590 CG LEU A 41 -5.935 -10.492 3.912 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.271 -9.126 4.518 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.637 -10.633 2.559 1.00 0.00 C ATOM 0 H LEU A 41 -1.943 -10.655 3.922 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.046 -9.884 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.043 -9.756 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.196 -11.501 3.116 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.275 -11.277 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.349 -9.044 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.774 -9.024 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.929 -8.337 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.714 -10.543 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.291 -9.849 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.407 -11.608 2.129 1.00 0.00 H new ATOM 604 N GLY A 42 -3.369 -13.074 5.501 1.00 0.00 N ATOM 605 CA GLY A 42 -3.697 -14.399 6.095 1.00 0.00 C ATOM 606 C GLY A 42 -4.339 -15.260 5.010 1.00 0.00 C ATOM 607 O GLY A 42 -4.624 -16.425 5.202 1.00 0.00 O ATOM 0 H GLY A 42 -2.538 -13.059 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.796 -14.878 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.377 -14.280 6.938 1.00 0.00 H new ATOM 611 N THR A 43 -4.555 -14.678 3.863 1.00 0.00 N ATOM 612 CA THR A 43 -5.165 -15.425 2.733 1.00 0.00 C ATOM 613 C THR A 43 -4.259 -15.280 1.509 1.00 0.00 C ATOM 614 O THR A 43 -3.290 -14.547 1.530 1.00 0.00 O ATOM 615 CB THR A 43 -6.548 -14.848 2.421 1.00 0.00 C ATOM 616 OG1 THR A 43 -6.400 -13.599 1.760 1.00 0.00 O ATOM 617 CG2 THR A 43 -7.325 -14.649 3.723 1.00 0.00 C ATOM 0 H THR A 43 -4.331 -13.704 3.660 1.00 0.00 H new ATOM 0 HA THR A 43 -5.272 -16.477 2.996 1.00 0.00 H new ATOM 0 HB THR A 43 -7.093 -15.538 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.227 -13.382 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.310 -14.238 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.438 -15.608 4.229 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.782 -13.959 4.369 1.00 0.00 H new ATOM 625 N TYR A 44 -4.558 -15.969 0.445 1.00 0.00 N ATOM 626 CA TYR A 44 -3.701 -15.859 -0.769 1.00 0.00 C ATOM 627 C TYR A 44 -3.362 -14.387 -1.022 1.00 0.00 C ATOM 628 O TYR A 44 -2.397 -14.067 -1.687 1.00 0.00 O ATOM 629 CB TYR A 44 -4.455 -16.421 -1.975 1.00 0.00 C ATOM 630 CG TYR A 44 -5.510 -15.434 -2.412 1.00 0.00 C ATOM 631 CD1 TYR A 44 -6.757 -15.416 -1.777 1.00 0.00 C ATOM 632 CD2 TYR A 44 -5.240 -14.535 -3.451 1.00 0.00 C ATOM 633 CE1 TYR A 44 -7.735 -14.499 -2.181 1.00 0.00 C ATOM 634 CE2 TYR A 44 -6.218 -13.618 -3.855 1.00 0.00 C ATOM 635 CZ TYR A 44 -7.467 -13.601 -3.220 1.00 0.00 C ATOM 636 OH TYR A 44 -8.431 -12.697 -3.618 1.00 0.00 O ATOM 0 H TYR A 44 -5.354 -16.601 0.362 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.781 -16.424 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.761 -16.615 -2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.917 -17.374 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.965 -16.109 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.278 -14.549 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.697 -14.485 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.010 -12.924 -4.656 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.067 -11.788 -3.569 1.00 0.00 H new ATOM 646 N GLY A 45 -4.150 -13.487 -0.495 1.00 0.00 N ATOM 647 CA GLY A 45 -3.875 -12.036 -0.704 1.00 0.00 C ATOM 648 C GLY A 45 -2.909 -11.528 0.373 1.00 0.00 C ATOM 649 O GLY A 45 -2.400 -12.288 1.172 1.00 0.00 O ATOM 0 H GLY A 45 -4.972 -13.695 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.447 -11.877 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.806 -11.471 -0.665 1.00 0.00 H new ATOM 653 N ASN A 46 -2.659 -10.246 0.396 1.00 0.00 N ATOM 654 CA ASN A 46 -1.734 -9.677 1.417 1.00 0.00 C ATOM 655 C ASN A 46 -2.326 -8.370 1.949 1.00 0.00 C ATOM 656 O ASN A 46 -3.294 -7.860 1.420 1.00 0.00 O ATOM 657 CB ASN A 46 -0.371 -9.403 0.777 1.00 0.00 C ATOM 658 CG ASN A 46 0.692 -9.286 1.871 1.00 0.00 C ATOM 659 OD1 ASN A 46 1.056 -10.267 2.486 1.00 0.00 O ATOM 660 ND2 ASN A 46 1.209 -8.118 2.141 1.00 0.00 N ATOM 0 H ASN A 46 -3.058 -9.566 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.607 -10.384 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.112 -10.207 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.410 -8.484 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.919 -8.030 2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.903 -7.293 1.624 1.00 0.00 H new ATOM 667 N GLY A 47 -1.766 -7.822 2.996 1.00 0.00 N ATOM 668 CA GLY A 47 -2.321 -6.553 3.550 1.00 0.00 C ATOM 669 C GLY A 47 -1.190 -5.622 3.989 1.00 0.00 C ATOM 670 O GLY A 47 -0.335 -5.989 4.771 1.00 0.00 O ATOM 0 H GLY A 47 -0.954 -8.196 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.936 -6.059 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.970 -6.772 4.398 1.00 0.00 H new ATOM 674 N CYS A 48 -1.188 -4.411 3.499 1.00 0.00 N ATOM 675 CA CYS A 48 -0.127 -3.441 3.893 1.00 0.00 C ATOM 676 C CYS A 48 -0.781 -2.085 4.170 1.00 0.00 C ATOM 677 O CYS A 48 -1.532 -1.583 3.356 1.00 0.00 O ATOM 678 CB CYS A 48 0.883 -3.301 2.750 1.00 0.00 C ATOM 679 SG CYS A 48 2.246 -2.227 3.266 1.00 0.00 S ATOM 0 H CYS A 48 -1.879 -4.051 2.840 1.00 0.00 H new ATOM 0 HA CYS A 48 0.389 -3.793 4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.267 -4.282 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.394 -2.886 1.869 1.00 0.00 H new ATOM 684 N TRP A 49 -0.506 -1.482 5.305 1.00 0.00 N ATOM 685 CA TRP A 49 -1.126 -0.157 5.605 1.00 0.00 C ATOM 686 C TRP A 49 -0.047 0.921 5.654 1.00 0.00 C ATOM 687 O TRP A 49 1.042 0.708 6.148 1.00 0.00 O ATOM 688 CB TRP A 49 -1.882 -0.202 6.945 1.00 0.00 C ATOM 689 CG TRP A 49 -0.935 -0.333 8.096 1.00 0.00 C ATOM 690 CD1 TRP A 49 -0.076 0.626 8.522 1.00 0.00 C ATOM 691 CD2 TRP A 49 -0.765 -1.462 9.001 1.00 0.00 C ATOM 692 NE1 TRP A 49 0.619 0.146 9.617 1.00 0.00 N ATOM 693 CE2 TRP A 49 0.231 -1.136 9.950 1.00 0.00 C ATOM 694 CE3 TRP A 49 -1.369 -2.729 9.081 1.00 0.00 C ATOM 695 CZ2 TRP A 49 0.613 -2.036 10.947 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -0.988 -3.636 10.082 1.00 0.00 C ATOM 697 CH2 TRP A 49 0.002 -3.290 11.012 1.00 0.00 C ATOM 0 H TRP A 49 0.114 -1.848 6.027 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.837 0.080 4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.476 0.704 7.061 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.577 -1.041 6.945 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.045 1.604 8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.332 0.676 10.118 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.131 -3.006 8.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.375 -1.764 11.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.460 -4.606 10.136 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.292 -3.993 11.779 1.00 0.00 H new ATOM 708 N CYS A 50 -0.354 2.082 5.143 1.00 0.00 N ATOM 709 CA CYS A 50 0.633 3.195 5.150 1.00 0.00 C ATOM 710 C CYS A 50 0.002 4.407 5.833 1.00 0.00 C ATOM 711 O CYS A 50 -1.201 4.561 5.841 1.00 0.00 O ATOM 712 CB CYS A 50 1.008 3.555 3.708 1.00 0.00 C ATOM 713 SG CYS A 50 2.587 4.439 3.687 1.00 0.00 S ATOM 0 H CYS A 50 -1.254 2.307 4.718 1.00 0.00 H new ATOM 0 HA CYS A 50 1.531 2.893 5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.079 2.650 3.105 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.228 4.174 3.264 1.00 0.00 H new ATOM 718 N ILE A 51 0.800 5.267 6.406 1.00 0.00 N ATOM 719 CA ILE A 51 0.237 6.466 7.086 1.00 0.00 C ATOM 720 C ILE A 51 0.570 7.709 6.263 1.00 0.00 C ATOM 721 O ILE A 51 1.714 7.956 5.931 1.00 0.00 O ATOM 722 CB ILE A 51 0.856 6.599 8.481 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.710 5.274 9.239 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.138 7.706 9.253 1.00 0.00 C ATOM 725 CD1 ILE A 51 -0.740 4.787 9.158 1.00 0.00 C ATOM 0 H ILE A 51 1.817 5.190 6.432 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.844 6.363 7.178 1.00 0.00 H new ATOM 0 HB ILE A 51 1.913 6.846 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.379 4.526 8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.001 5.407 10.281 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.578 7.801 10.246 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.243 8.650 8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.919 7.457 9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.838 3.845 9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.399 5.532 9.604 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.016 4.637 8.114 1.00 0.00 H new ATOM 737 N ALA A 52 -0.420 8.494 5.929 1.00 0.00 N ATOM 738 CA ALA A 52 -0.156 9.717 5.122 1.00 0.00 C ATOM 739 C ALA A 52 -1.435 10.555 5.007 1.00 0.00 C ATOM 740 O ALA A 52 -2.084 10.852 5.991 1.00 0.00 O ATOM 741 CB ALA A 52 0.314 9.307 3.725 1.00 0.00 C ATOM 0 H ALA A 52 -1.397 8.340 6.180 1.00 0.00 H new ATOM 0 HA ALA A 52 0.616 10.312 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.509 10.199 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.228 8.719 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.459 8.710 3.241 1.00 0.00 H new ATOM 747 N LEU A 53 -1.791 10.950 3.812 1.00 0.00 N ATOM 748 CA LEU A 53 -3.016 11.783 3.622 1.00 0.00 C ATOM 749 C LEU A 53 -3.922 11.144 2.567 1.00 0.00 C ATOM 750 O LEU A 53 -3.512 10.258 1.842 1.00 0.00 O ATOM 751 CB LEU A 53 -2.602 13.174 3.142 1.00 0.00 C ATOM 752 CG LEU A 53 -1.106 13.187 2.838 1.00 0.00 C ATOM 753 CD1 LEU A 53 -0.743 14.484 2.113 1.00 0.00 C ATOM 754 CD2 LEU A 53 -0.313 13.098 4.146 1.00 0.00 C ATOM 0 H LEU A 53 -1.283 10.730 2.955 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.554 11.853 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.167 13.445 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.835 13.917 3.905 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.860 12.334 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.325 14.493 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.303 14.548 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.992 15.336 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.754 13.107 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.560 13.949 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.568 12.174 4.664 1.00 0.00 H new ATOM 766 N PRO A 54 -5.148 11.594 2.480 1.00 0.00 N ATOM 767 CA PRO A 54 -6.130 11.058 1.492 1.00 0.00 C ATOM 768 C PRO A 54 -5.751 11.406 0.052 1.00 0.00 C ATOM 769 O PRO A 54 -5.978 10.638 -0.861 1.00 0.00 O ATOM 770 CB PRO A 54 -7.453 11.724 1.875 1.00 0.00 C ATOM 771 CG PRO A 54 -7.089 12.936 2.669 1.00 0.00 C ATOM 772 CD PRO A 54 -5.730 12.661 3.314 1.00 0.00 C ATOM 0 HA PRO A 54 -6.174 9.969 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.024 11.996 0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.076 11.047 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.040 13.816 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.843 13.138 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.102 13.552 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.838 12.343 4.351 1.00 0.00 H new ATOM 780 N ASP A 55 -5.171 12.553 -0.156 1.00 0.00 N ATOM 781 CA ASP A 55 -4.771 12.940 -1.536 1.00 0.00 C ATOM 782 C ASP A 55 -3.850 11.860 -2.100 1.00 0.00 C ATOM 783 O ASP A 55 -3.851 11.577 -3.281 1.00 0.00 O ATOM 784 CB ASP A 55 -4.031 14.279 -1.499 1.00 0.00 C ATOM 785 CG ASP A 55 -3.823 14.787 -2.927 1.00 0.00 C ATOM 786 OD1 ASP A 55 -4.332 14.157 -3.840 1.00 0.00 O ATOM 787 OD2 ASP A 55 -3.157 15.798 -3.084 1.00 0.00 O ATOM 0 H ASP A 55 -4.957 13.239 0.568 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.655 13.040 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.602 15.007 -0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.069 14.161 -1.000 1.00 0.00 H new ATOM 792 N ASN A 56 -3.062 11.256 -1.254 1.00 0.00 N ATOM 793 CA ASN A 56 -2.134 10.193 -1.719 1.00 0.00 C ATOM 794 C ASN A 56 -2.769 8.820 -1.483 1.00 0.00 C ATOM 795 O ASN A 56 -3.076 8.452 -0.367 1.00 0.00 O ATOM 796 CB ASN A 56 -0.830 10.293 -0.928 1.00 0.00 C ATOM 797 CG ASN A 56 0.253 9.459 -1.613 1.00 0.00 C ATOM 798 OD1 ASN A 56 -0.010 8.784 -2.590 1.00 0.00 O ATOM 799 ND2 ASN A 56 1.469 9.478 -1.142 1.00 0.00 N ATOM 0 H ASN A 56 -3.023 11.456 -0.255 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.933 10.318 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.513 11.334 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.984 9.940 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.199 8.927 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.690 10.044 -0.323 1.00 0.00 H new ATOM 806 N VAL A 57 -2.964 8.058 -2.525 1.00 0.00 N ATOM 807 CA VAL A 57 -3.575 6.708 -2.357 1.00 0.00 C ATOM 808 C VAL A 57 -4.940 6.840 -1.679 1.00 0.00 C ATOM 809 O VAL A 57 -5.139 6.391 -0.567 1.00 0.00 O ATOM 810 CB VAL A 57 -2.659 5.839 -1.495 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.082 4.375 -1.616 1.00 0.00 C ATOM 812 CG2 VAL A 57 -1.214 5.991 -1.974 1.00 0.00 C ATOM 0 H VAL A 57 -2.727 8.311 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.703 6.245 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.734 6.155 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.429 3.756 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.112 4.265 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.007 4.060 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.560 5.372 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.141 5.675 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.910 7.034 -1.889 1.00 0.00 H new ATOM 822 N PRO A 58 -5.874 7.455 -2.352 1.00 0.00 N ATOM 823 CA PRO A 58 -7.255 7.660 -1.829 1.00 0.00 C ATOM 824 C PRO A 58 -8.119 6.400 -1.950 1.00 0.00 C ATOM 825 O PRO A 58 -9.327 6.456 -1.839 1.00 0.00 O ATOM 826 CB PRO A 58 -7.808 8.770 -2.720 1.00 0.00 C ATOM 827 CG PRO A 58 -7.092 8.614 -4.020 1.00 0.00 C ATOM 828 CD PRO A 58 -5.714 8.026 -3.699 1.00 0.00 C ATOM 0 HA PRO A 58 -7.255 7.904 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.886 8.673 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.627 9.753 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.646 7.957 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.994 9.575 -4.525 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.427 7.264 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.939 8.792 -3.718 1.00 0.00 H new ATOM 836 N ILE A 59 -7.509 5.269 -2.186 1.00 0.00 N ATOM 837 CA ILE A 59 -8.298 4.008 -2.323 1.00 0.00 C ATOM 838 C ILE A 59 -9.361 4.191 -3.408 1.00 0.00 C ATOM 839 O ILE A 59 -10.530 3.942 -3.193 1.00 0.00 O ATOM 840 CB ILE A 59 -8.982 3.682 -0.992 1.00 0.00 C ATOM 841 CG1 ILE A 59 -7.923 3.412 0.079 1.00 0.00 C ATOM 842 CG2 ILE A 59 -9.857 2.439 -1.162 1.00 0.00 C ATOM 843 CD1 ILE A 59 -8.549 3.577 1.464 1.00 0.00 C ATOM 0 H ILE A 59 -6.500 5.163 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.631 3.191 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.599 4.527 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.524 2.404 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.087 4.101 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.345 2.205 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.614 2.628 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.237 1.597 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.796 3.385 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.927 4.594 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.371 2.870 1.578 1.00 0.00 H new ATOM 855 N ARG A 60 -8.965 4.626 -4.574 1.00 0.00 N ATOM 856 CA ARG A 60 -9.957 4.824 -5.670 1.00 0.00 C ATOM 857 C ARG A 60 -10.614 3.486 -6.012 1.00 0.00 C ATOM 858 O ARG A 60 -11.799 3.413 -6.273 1.00 0.00 O ATOM 859 CB ARG A 60 -9.246 5.373 -6.908 1.00 0.00 C ATOM 860 CG ARG A 60 -8.289 4.314 -7.460 1.00 0.00 C ATOM 861 CD ARG A 60 -7.430 4.924 -8.570 1.00 0.00 C ATOM 862 NE ARG A 60 -8.312 5.447 -9.653 1.00 0.00 N ATOM 863 CZ ARG A 60 -8.737 6.682 -9.619 1.00 0.00 C ATOM 864 NH1 ARG A 60 -8.402 7.468 -8.632 1.00 0.00 N ATOM 865 NH2 ARG A 60 -9.504 7.131 -10.575 1.00 0.00 N ATOM 0 H ARG A 60 -8.000 4.852 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.720 5.531 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.977 5.649 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.695 6.278 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.652 3.934 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.854 3.466 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.815 5.729 -8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.750 4.173 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.585 4.838 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.805 7.119 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.737 8.431 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.770 6.518 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.837 8.095 -10.551 1.00 0.00 H new ATOM 879 N ILE A 61 -9.853 2.428 -6.014 1.00 0.00 N ATOM 880 CA ILE A 61 -10.429 1.095 -6.342 1.00 0.00 C ATOM 881 C ILE A 61 -11.254 0.589 -5.154 1.00 0.00 C ATOM 882 O ILE A 61 -11.012 0.958 -4.023 1.00 0.00 O ATOM 883 CB ILE A 61 -9.296 0.107 -6.634 1.00 0.00 C ATOM 884 CG1 ILE A 61 -8.073 0.466 -5.787 1.00 0.00 C ATOM 885 CG2 ILE A 61 -8.926 0.180 -8.117 1.00 0.00 C ATOM 886 CD1 ILE A 61 -7.218 -0.783 -5.571 1.00 0.00 C ATOM 0 H ILE A 61 -8.855 2.429 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.070 1.182 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.624 -0.903 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.487 1.239 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.389 0.874 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.120 -0.523 -8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.796 -0.076 -8.722 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.599 1.191 -8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.347 -0.528 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.806 -1.542 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.890 -1.171 -6.536 1.00 0.00 H new ATOM 898 N PRO A 62 -12.220 -0.255 -5.410 1.00 0.00 N ATOM 899 CA PRO A 62 -13.093 -0.827 -4.344 1.00 0.00 C ATOM 900 C PRO A 62 -12.285 -1.588 -3.291 1.00 0.00 C ATOM 901 O PRO A 62 -12.791 -1.953 -2.248 1.00 0.00 O ATOM 902 CB PRO A 62 -14.035 -1.782 -5.090 1.00 0.00 C ATOM 903 CG PRO A 62 -13.422 -1.998 -6.435 1.00 0.00 C ATOM 904 CD PRO A 62 -12.586 -0.759 -6.740 1.00 0.00 C ATOM 0 HA PRO A 62 -13.623 -0.045 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.140 -2.725 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -15.033 -1.354 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.801 -2.894 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.192 -2.141 -7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.705 -1.006 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.154 -0.021 -7.306 1.00 0.00 H new ATOM 912 N GLY A 63 -11.031 -1.832 -3.558 1.00 0.00 N ATOM 913 CA GLY A 63 -10.189 -2.572 -2.579 1.00 0.00 C ATOM 914 C GLY A 63 -10.118 -4.044 -2.984 1.00 0.00 C ATOM 915 O GLY A 63 -9.539 -4.861 -2.296 1.00 0.00 O ATOM 0 H GLY A 63 -10.553 -1.550 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.187 -2.143 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.609 -2.478 -1.577 1.00 0.00 H new ATOM 919 N LYS A 64 -10.702 -4.388 -4.099 1.00 0.00 N ATOM 920 CA LYS A 64 -10.669 -5.805 -4.554 1.00 0.00 C ATOM 921 C LYS A 64 -9.215 -6.260 -4.696 1.00 0.00 C ATOM 922 O LYS A 64 -8.877 -7.389 -4.404 1.00 0.00 O ATOM 923 CB LYS A 64 -11.375 -5.923 -5.906 1.00 0.00 C ATOM 924 CG LYS A 64 -11.445 -7.395 -6.319 1.00 0.00 C ATOM 925 CD LYS A 64 -12.224 -7.521 -7.630 1.00 0.00 C ATOM 926 CE LYS A 64 -11.427 -6.878 -8.766 1.00 0.00 C ATOM 927 NZ LYS A 64 -11.877 -7.442 -10.070 1.00 0.00 N ATOM 0 H LYS A 64 -11.201 -3.747 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.177 -6.434 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.379 -5.504 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.838 -5.348 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.439 -7.798 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.930 -7.980 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.412 -8.571 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.196 -7.037 -7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.568 -5.797 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.362 -7.062 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.335 -7.005 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.721 -8.470 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.890 -7.245 -10.203 1.00 0.00 H new ATOM 941 N CYS A 65 -8.355 -5.388 -5.145 1.00 0.00 N ATOM 942 CA CYS A 65 -6.922 -5.764 -5.309 1.00 0.00 C ATOM 943 C CYS A 65 -6.817 -7.011 -6.191 1.00 0.00 C ATOM 944 O CYS A 65 -6.557 -6.924 -7.375 1.00 0.00 O ATOM 945 CB CYS A 65 -6.310 -6.056 -3.937 1.00 0.00 C ATOM 946 SG CYS A 65 -6.438 -4.582 -2.893 1.00 0.00 S ATOM 0 H CYS A 65 -8.583 -4.429 -5.406 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.383 -4.941 -5.779 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.826 -6.893 -3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.265 -6.347 -4.047 1.00 0.00 H new ATOM 951 N HIS A 66 -7.019 -8.169 -5.626 1.00 0.00 N ATOM 952 CA HIS A 66 -6.932 -9.418 -6.435 1.00 0.00 C ATOM 953 C HIS A 66 -7.391 -10.607 -5.590 1.00 0.00 C ATOM 954 O HIS A 66 -7.346 -11.718 -6.092 1.00 0.00 O ATOM 955 CB HIS A 66 -5.484 -9.637 -6.880 1.00 0.00 C ATOM 956 CG HIS A 66 -5.418 -10.823 -7.802 1.00 0.00 C ATOM 957 ND1 HIS A 66 -6.019 -10.821 -9.053 1.00 0.00 N ATOM 958 CD2 HIS A 66 -4.829 -12.056 -7.671 1.00 0.00 C ATOM 959 CE1 HIS A 66 -5.779 -12.019 -9.620 1.00 0.00 C ATOM 960 NE2 HIS A 66 -5.059 -12.805 -8.818 1.00 0.00 N ATOM 961 OXT HIS A 66 -7.781 -10.386 -4.455 1.00 0.00 O ATOM 0 H HIS A 66 -7.240 -8.305 -4.640 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.573 -9.328 -7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.109 -8.748 -7.387 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -4.846 -9.802 -6.012 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.272 -12.392 -6.809 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.126 -12.307 -10.601 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.744 -13.756 -9.007 1.00 0.00 H new