USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 406 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 20 TYR OH : rot 110:sc= -3.2! USER MOD Set 1.2: A 24 GLN : amide:sc=-0.00962 X(o=-3.2,f=-3.1) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 153:sc= 0.0179 (180deg=-0.165) USER MOD Set 2.2: A 52 SER OG : rot 110:sc= 0 USER MOD Set 2.3: A 54 SER OG : rot 58:sc= -2.17! USER MOD Set 2.4: A 57 ASN : amide:sc= -6.79! C(o=-8.9!,f=-10!) USER MOD Single : A 1 LYS N :NH3+ 143:sc= 1.17 (180deg=0.256) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= 0.51 (180deg=0.34) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 148:sc= -0.0228 (180deg=-0.133) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.283 K(o=0.28,f=-4.4!) USER MOD Single : A 19 ASN : amide:sc= -3.38! C(o=-3.4!,f=-13!) USER MOD Single : A 23 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.5!) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= 0.277 (180deg=-0.483) USER MOD Single : A 27 MET CE :methyl -146:sc= -0.808 (180deg=-3.32!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 77:sc= 0.931 USER MOD Single : A 34 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-5.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 149:sc= -2.5 (180deg=-3.77!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.626 11.332 -2.705 1.00 0.00 N ATOM 2 CA LYS A 1 -2.615 10.677 -3.585 1.00 0.00 C ATOM 3 C LYS A 1 -2.712 9.153 -3.463 1.00 0.00 C ATOM 4 O LYS A 1 -3.373 8.630 -2.589 1.00 0.00 O ATOM 5 CB LYS A 1 -1.263 11.168 -3.068 1.00 0.00 C ATOM 6 CG LYS A 1 -0.997 10.563 -1.688 1.00 0.00 C ATOM 7 CD LYS A 1 0.437 10.877 -1.256 1.00 0.00 C ATOM 8 CE LYS A 1 0.859 9.910 -0.146 1.00 0.00 C ATOM 9 NZ LYS A 1 2.065 10.531 0.469 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.221 12.198 -2.296 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.468 11.574 -3.265 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.894 10.681 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.765 10.922 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.471 10.883 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.258 12.256 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.703 10.966 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.150 9.484 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.112 10.788 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.505 11.906 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.064 9.781 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.085 8.922 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.303 10.031 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.865 10.466 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.871 11.531 0.681 1.00 0.00 H new ATOM 25 N ASP A 2 -2.052 8.439 -4.333 1.00 0.00 N ATOM 26 CA ASP A 2 -2.098 6.949 -4.270 1.00 0.00 C ATOM 27 C ASP A 2 -0.720 6.402 -3.892 1.00 0.00 C ATOM 28 O ASP A 2 0.276 7.091 -3.987 1.00 0.00 O ATOM 29 CB ASP A 2 -2.478 6.501 -5.682 1.00 0.00 C ATOM 30 CG ASP A 2 -3.608 7.381 -6.219 1.00 0.00 C ATOM 31 OD1 ASP A 2 -4.290 7.993 -5.415 1.00 0.00 O ATOM 32 OD2 ASP A 2 -3.772 7.428 -7.428 1.00 0.00 O ATOM 0 H ASP A 2 -1.482 8.823 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.807 6.588 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.611 6.565 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.792 5.457 -5.670 1.00 0.00 H new ATOM 37 N GLY A 3 -0.649 5.168 -3.470 1.00 0.00 N ATOM 38 CA GLY A 3 0.677 4.595 -3.097 1.00 0.00 C ATOM 39 C GLY A 3 0.490 3.292 -2.315 1.00 0.00 C ATOM 40 O GLY A 3 -0.614 2.893 -2.002 1.00 0.00 O ATOM 0 H GLY A 3 -1.444 4.537 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.266 4.407 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.235 5.312 -2.495 1.00 0.00 H new ATOM 44 N TYR A 4 1.570 2.632 -1.990 1.00 0.00 N ATOM 45 CA TYR A 4 1.474 1.358 -1.219 1.00 0.00 C ATOM 46 C TYR A 4 1.829 1.619 0.245 1.00 0.00 C ATOM 47 O TYR A 4 2.828 2.244 0.533 1.00 0.00 O ATOM 48 CB TYR A 4 2.510 0.422 -1.844 1.00 0.00 C ATOM 49 CG TYR A 4 2.251 0.271 -3.324 1.00 0.00 C ATOM 50 CD1 TYR A 4 2.656 1.275 -4.210 1.00 0.00 C ATOM 51 CD2 TYR A 4 1.611 -0.875 -3.810 1.00 0.00 C ATOM 52 CE1 TYR A 4 2.421 1.135 -5.583 1.00 0.00 C ATOM 53 CE2 TYR A 4 1.376 -1.016 -5.183 1.00 0.00 C ATOM 54 CZ TYR A 4 1.781 -0.011 -6.069 1.00 0.00 C ATOM 55 OH TYR A 4 1.550 -0.151 -7.422 1.00 0.00 O ATOM 0 H TYR A 4 2.519 2.922 -2.227 1.00 0.00 H new ATOM 0 HA TYR A 4 0.471 0.933 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.513 0.817 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 4 2.469 -0.553 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.150 2.159 -3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.299 -1.650 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.733 1.911 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 4 0.882 -1.900 -5.558 1.00 0.00 H new ATOM 0 HH TYR A 4 1.098 -1.004 -7.590 1.00 0.00 H new ATOM 65 N PRO A 5 1.006 1.126 1.126 1.00 0.00 N ATOM 66 CA PRO A 5 1.253 1.319 2.574 1.00 0.00 C ATOM 67 C PRO A 5 2.467 0.504 3.018 1.00 0.00 C ATOM 68 O PRO A 5 2.643 -0.633 2.629 1.00 0.00 O ATOM 69 CB PRO A 5 -0.021 0.802 3.229 1.00 0.00 C ATOM 70 CG PRO A 5 -0.596 -0.159 2.238 1.00 0.00 C ATOM 71 CD PRO A 5 -0.211 0.348 0.872 1.00 0.00 C ATOM 0 HA PRO A 5 1.468 2.354 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.193 0.311 4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.715 1.615 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.207 -1.164 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.680 -0.217 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.026 -0.471 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.998 0.964 0.436 1.00 0.00 H new ATOM 79 N VAL A 6 3.305 1.079 3.830 1.00 0.00 N ATOM 80 CA VAL A 6 4.514 0.340 4.301 1.00 0.00 C ATOM 81 C VAL A 6 4.357 -0.052 5.772 1.00 0.00 C ATOM 82 O VAL A 6 3.439 0.376 6.443 1.00 0.00 O ATOM 83 CB VAL A 6 5.677 1.316 4.127 1.00 0.00 C ATOM 84 CG1 VAL A 6 5.969 1.501 2.638 1.00 0.00 C ATOM 85 CG2 VAL A 6 5.309 2.668 4.745 1.00 0.00 C ATOM 0 H VAL A 6 3.209 2.028 4.190 1.00 0.00 H new ATOM 0 HA VAL A 6 4.673 -0.582 3.742 1.00 0.00 H new ATOM 0 HB VAL A 6 6.561 0.918 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.798 2.197 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.233 0.540 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.084 1.898 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.139 3.363 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.424 3.066 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.101 2.538 5.807 1.00 0.00 H new ATOM 95 N ASP A 7 5.245 -0.862 6.279 1.00 0.00 N ATOM 96 CA ASP A 7 5.142 -1.279 7.706 1.00 0.00 C ATOM 97 C ASP A 7 6.176 -0.533 8.555 1.00 0.00 C ATOM 98 O ASP A 7 6.791 0.416 8.110 1.00 0.00 O ATOM 99 CB ASP A 7 5.430 -2.781 7.703 1.00 0.00 C ATOM 100 CG ASP A 7 6.793 -3.038 7.058 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.578 -2.107 6.990 1.00 0.00 O ATOM 102 OD2 ASP A 7 7.028 -4.161 6.644 1.00 0.00 O ATOM 0 H ASP A 7 6.036 -1.253 5.768 1.00 0.00 H new ATOM 0 HA ASP A 7 4.164 -1.053 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.420 -3.166 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.651 -3.310 7.155 1.00 0.00 H new ATOM 107 N SER A 8 6.365 -0.951 9.777 1.00 0.00 N ATOM 108 CA SER A 8 7.352 -0.264 10.661 1.00 0.00 C ATOM 109 C SER A 8 8.759 -0.324 10.057 1.00 0.00 C ATOM 110 O SER A 8 9.641 0.414 10.449 1.00 0.00 O ATOM 111 CB SER A 8 7.307 -1.038 11.978 1.00 0.00 C ATOM 112 OG SER A 8 7.919 -2.309 11.797 1.00 0.00 O ATOM 0 H SER A 8 5.878 -1.740 10.203 1.00 0.00 H new ATOM 0 HA SER A 8 7.113 0.791 10.792 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.824 -0.480 12.759 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.275 -1.162 12.305 1.00 0.00 H new ATOM 0 HG SER A 8 7.893 -2.807 12.640 1.00 0.00 H new ATOM 118 N LYS A 9 8.981 -1.197 9.114 1.00 0.00 N ATOM 119 CA LYS A 9 10.339 -1.295 8.503 1.00 0.00 C ATOM 120 C LYS A 9 10.447 -0.375 7.284 1.00 0.00 C ATOM 121 O LYS A 9 11.513 0.102 6.948 1.00 0.00 O ATOM 122 CB LYS A 9 10.485 -2.759 8.089 1.00 0.00 C ATOM 123 CG LYS A 9 11.957 -3.062 7.805 1.00 0.00 C ATOM 124 CD LYS A 9 12.143 -4.569 7.626 1.00 0.00 C ATOM 125 CE LYS A 9 11.457 -5.016 6.333 1.00 0.00 C ATOM 126 NZ LYS A 9 10.224 -5.724 6.777 1.00 0.00 N ATOM 0 H LYS A 9 8.286 -1.844 8.741 1.00 0.00 H new ATOM 0 HA LYS A 9 11.123 -0.988 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.114 -3.411 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.883 -2.959 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.281 -2.536 6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.578 -2.703 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.205 -4.814 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.721 -5.102 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.216 -4.163 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.102 -5.674 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.472 -5.587 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.424 -6.740 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.914 -5.340 7.693 1.00 0.00 H new ATOM 140 N GLY A 10 9.354 -0.120 6.619 1.00 0.00 N ATOM 141 CA GLY A 10 9.401 0.771 5.424 1.00 0.00 C ATOM 142 C GLY A 10 9.157 -0.054 4.159 1.00 0.00 C ATOM 143 O GLY A 10 9.283 0.436 3.054 1.00 0.00 O ATOM 0 H GLY A 10 8.432 -0.489 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.647 1.553 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.370 1.267 5.366 1.00 0.00 H new ATOM 147 N CYS A 11 8.809 -1.303 4.310 1.00 0.00 N ATOM 148 CA CYS A 11 8.556 -2.157 3.114 1.00 0.00 C ATOM 149 C CYS A 11 7.054 -2.233 2.827 1.00 0.00 C ATOM 150 O CYS A 11 6.243 -2.297 3.729 1.00 0.00 O ATOM 151 CB CYS A 11 9.097 -3.536 3.490 1.00 0.00 C ATOM 152 SG CYS A 11 10.840 -3.653 3.016 1.00 0.00 S ATOM 0 H CYS A 11 8.689 -1.769 5.209 1.00 0.00 H new ATOM 0 HA CYS A 11 9.033 -1.762 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.989 -3.700 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.520 -4.313 2.989 1.00 0.00 H new ATOM 157 N LYS A 12 6.678 -2.227 1.578 1.00 0.00 N ATOM 158 CA LYS A 12 5.228 -2.299 1.236 1.00 0.00 C ATOM 159 C LYS A 12 4.552 -3.422 2.026 1.00 0.00 C ATOM 160 O LYS A 12 5.197 -4.335 2.502 1.00 0.00 O ATOM 161 CB LYS A 12 5.189 -2.600 -0.263 1.00 0.00 C ATOM 162 CG LYS A 12 5.664 -1.374 -1.046 1.00 0.00 C ATOM 163 CD LYS A 12 6.968 -1.706 -1.773 1.00 0.00 C ATOM 164 CE LYS A 12 6.668 -2.000 -3.244 1.00 0.00 C ATOM 165 NZ LYS A 12 7.620 -1.148 -4.010 1.00 0.00 N ATOM 0 H LYS A 12 7.311 -2.175 0.780 1.00 0.00 H new ATOM 0 HA LYS A 12 4.700 -1.377 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.824 -3.457 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.176 -2.866 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.902 -1.070 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.817 -0.534 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.665 -0.872 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.447 -2.568 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.812 -3.056 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.635 -1.758 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.814 -1.587 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.203 -0.206 -4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.509 -1.055 -3.478 1.00 0.00 H new ATOM 179 N LEU A 13 3.256 -3.362 2.166 1.00 0.00 N ATOM 180 CA LEU A 13 2.537 -4.426 2.923 1.00 0.00 C ATOM 181 C LEU A 13 2.075 -5.528 1.967 1.00 0.00 C ATOM 182 O LEU A 13 1.687 -5.267 0.846 1.00 0.00 O ATOM 183 CB LEU A 13 1.333 -3.723 3.551 1.00 0.00 C ATOM 184 CG LEU A 13 0.688 -4.640 4.591 1.00 0.00 C ATOM 185 CD1 LEU A 13 1.397 -4.467 5.935 1.00 0.00 C ATOM 186 CD2 LEU A 13 -0.791 -4.273 4.745 1.00 0.00 C ATOM 0 H LEU A 13 2.664 -2.622 1.789 1.00 0.00 H new ATOM 0 HA LEU A 13 3.169 -4.898 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.647 -2.790 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.607 -3.464 2.780 1.00 0.00 H new ATOM 0 HG LEU A 13 0.775 -5.677 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.937 -5.121 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.450 -4.726 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.310 -3.431 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.253 -4.926 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.877 -3.236 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.298 -4.395 3.788 1.00 0.00 H new ATOM 198 N SER A 14 2.111 -6.758 2.401 1.00 0.00 N ATOM 199 CA SER A 14 1.670 -7.872 1.515 1.00 0.00 C ATOM 200 C SER A 14 0.152 -8.045 1.610 1.00 0.00 C ATOM 201 O SER A 14 -0.462 -7.677 2.592 1.00 0.00 O ATOM 202 CB SER A 14 2.386 -9.110 2.049 1.00 0.00 C ATOM 203 OG SER A 14 3.706 -9.152 1.522 1.00 0.00 O ATOM 0 H SER A 14 2.426 -7.039 3.329 1.00 0.00 H new ATOM 0 HA SER A 14 1.906 -7.688 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.417 -9.085 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.840 -10.010 1.767 1.00 0.00 H new ATOM 0 HG SER A 14 4.170 -9.945 1.864 1.00 0.00 H new ATOM 209 N CYS A 15 -0.459 -8.602 0.601 1.00 0.00 N ATOM 210 CA CYS A 15 -1.937 -8.795 0.643 1.00 0.00 C ATOM 211 C CYS A 15 -2.330 -10.056 -0.127 1.00 0.00 C ATOM 212 O CYS A 15 -1.669 -10.455 -1.065 1.00 0.00 O ATOM 213 CB CYS A 15 -2.520 -7.550 -0.027 1.00 0.00 C ATOM 214 SG CYS A 15 -1.828 -7.375 -1.691 1.00 0.00 S ATOM 0 H CYS A 15 -0.001 -8.931 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.307 -8.920 1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.606 -7.628 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.293 -6.665 0.567 1.00 0.00 H new ATOM 219 N VAL A 16 -3.403 -10.685 0.264 1.00 0.00 N ATOM 220 CA VAL A 16 -3.845 -11.921 -0.443 1.00 0.00 C ATOM 221 C VAL A 16 -5.258 -11.730 -0.999 1.00 0.00 C ATOM 222 O VAL A 16 -5.784 -12.578 -1.694 1.00 0.00 O ATOM 223 CB VAL A 16 -3.825 -13.015 0.625 1.00 0.00 C ATOM 224 CG1 VAL A 16 -5.012 -12.833 1.573 1.00 0.00 C ATOM 225 CG2 VAL A 16 -3.916 -14.385 -0.050 1.00 0.00 C ATOM 0 H VAL A 16 -3.994 -10.397 1.044 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.204 -12.170 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.897 -12.948 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.994 -13.615 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.947 -11.857 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.942 -12.897 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.902 -15.167 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.843 -14.449 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.068 -14.517 -0.722 1.00 0.00 H new ATOM 235 N ALA A 17 -5.874 -10.619 -0.701 1.00 0.00 N ATOM 236 CA ALA A 17 -7.251 -10.364 -1.212 1.00 0.00 C ATOM 237 C ALA A 17 -7.446 -8.865 -1.455 1.00 0.00 C ATOM 238 O ALA A 17 -6.798 -8.039 -0.844 1.00 0.00 O ATOM 239 CB ALA A 17 -8.185 -10.856 -0.105 1.00 0.00 C ATOM 0 H ALA A 17 -5.482 -9.875 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.444 -10.871 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.221 -10.702 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.013 -11.918 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.988 -10.300 0.811 1.00 0.00 H new ATOM 245 N ASN A 18 -8.331 -8.507 -2.342 1.00 0.00 N ATOM 246 CA ASN A 18 -8.560 -7.060 -2.619 1.00 0.00 C ATOM 247 C ASN A 18 -9.340 -6.415 -1.469 1.00 0.00 C ATOM 248 O ASN A 18 -9.042 -5.316 -1.045 1.00 0.00 O ATOM 249 CB ASN A 18 -9.376 -7.031 -3.912 1.00 0.00 C ATOM 250 CG ASN A 18 -8.539 -7.610 -5.053 1.00 0.00 C ATOM 251 OD1 ASN A 18 -7.400 -7.229 -5.242 1.00 0.00 O ATOM 252 ND2 ASN A 18 -9.057 -8.523 -5.826 1.00 0.00 N ATOM 0 H ASN A 18 -8.905 -9.151 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.628 -6.504 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.293 -7.608 -3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.672 -6.008 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.507 -8.917 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.013 -8.843 -5.668 1.00 0.00 H new ATOM 259 N ASN A 19 -10.335 -7.089 -0.960 1.00 0.00 N ATOM 260 CA ASN A 19 -11.132 -6.514 0.164 1.00 0.00 C ATOM 261 C ASN A 19 -10.207 -6.060 1.298 1.00 0.00 C ATOM 262 O ASN A 19 -10.356 -4.984 1.842 1.00 0.00 O ATOM 263 CB ASN A 19 -12.033 -7.655 0.638 1.00 0.00 C ATOM 264 CG ASN A 19 -11.217 -8.944 0.734 1.00 0.00 C ATOM 265 OD1 ASN A 19 -10.734 -9.449 -0.260 1.00 0.00 O ATOM 266 ND2 ASN A 19 -11.046 -9.500 1.899 1.00 0.00 N ATOM 0 H ASN A 19 -10.632 -8.013 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.705 -5.641 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.464 -7.412 1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.863 -7.789 -0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.506 -10.361 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.452 -9.074 2.732 1.00 0.00 H new ATOM 273 N TYR A 20 -9.255 -6.876 1.660 1.00 0.00 N ATOM 274 CA TYR A 20 -8.322 -6.497 2.761 1.00 0.00 C ATOM 275 C TYR A 20 -7.859 -5.049 2.586 1.00 0.00 C ATOM 276 O TYR A 20 -7.818 -4.281 3.528 1.00 0.00 O ATOM 277 CB TYR A 20 -7.143 -7.458 2.623 1.00 0.00 C ATOM 278 CG TYR A 20 -6.018 -7.014 3.526 1.00 0.00 C ATOM 279 CD1 TYR A 20 -6.275 -6.705 4.867 1.00 0.00 C ATOM 280 CD2 TYR A 20 -4.717 -6.916 3.022 1.00 0.00 C ATOM 281 CE1 TYR A 20 -5.230 -6.296 5.703 1.00 0.00 C ATOM 282 CE2 TYR A 20 -3.672 -6.506 3.857 1.00 0.00 C ATOM 283 CZ TYR A 20 -3.928 -6.197 5.199 1.00 0.00 C ATOM 284 OH TYR A 20 -2.897 -5.794 6.022 1.00 0.00 O ATOM 0 H TYR A 20 -9.082 -7.790 1.241 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.790 -6.563 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.454 -8.470 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.803 -7.485 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.279 -6.782 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.519 -7.157 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.428 -6.057 6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.668 -6.428 3.467 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.302 -6.553 6.197 1.00 0.00 H new ATOM 294 N CYS A 21 -7.510 -4.670 1.388 1.00 0.00 N ATOM 295 CA CYS A 21 -7.051 -3.273 1.149 1.00 0.00 C ATOM 296 C CYS A 21 -8.251 -2.323 1.143 1.00 0.00 C ATOM 297 O CYS A 21 -8.201 -1.240 1.691 1.00 0.00 O ATOM 298 CB CYS A 21 -6.382 -3.308 -0.225 1.00 0.00 C ATOM 299 SG CYS A 21 -4.760 -4.099 -0.086 1.00 0.00 S ATOM 0 H CYS A 21 -7.523 -5.269 0.562 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.369 -2.919 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.006 -3.855 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.273 -2.296 -0.614 1.00 0.00 H new ATOM 304 N ASP A 22 -9.331 -2.724 0.531 1.00 0.00 N ATOM 305 CA ASP A 22 -10.535 -1.846 0.495 1.00 0.00 C ATOM 306 C ASP A 22 -10.804 -1.272 1.887 1.00 0.00 C ATOM 307 O ASP A 22 -10.928 -0.077 2.064 1.00 0.00 O ATOM 308 CB ASP A 22 -11.681 -2.759 0.061 1.00 0.00 C ATOM 309 CG ASP A 22 -12.999 -1.984 0.117 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.541 -1.854 1.203 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.442 -1.531 -0.925 1.00 0.00 O ATOM 0 H ASP A 22 -9.432 -3.620 0.055 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.412 -1.001 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.505 -3.126 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.732 -3.632 0.712 1.00 0.00 H new ATOM 316 N ASN A 23 -10.889 -2.119 2.878 1.00 0.00 N ATOM 317 CA ASN A 23 -11.145 -1.625 4.261 1.00 0.00 C ATOM 318 C ASN A 23 -9.880 -0.973 4.826 1.00 0.00 C ATOM 319 O ASN A 23 -9.941 0.028 5.511 1.00 0.00 O ATOM 320 CB ASN A 23 -11.516 -2.872 5.066 1.00 0.00 C ATOM 321 CG ASN A 23 -12.326 -2.466 6.298 1.00 0.00 C ATOM 322 OD1 ASN A 23 -12.828 -1.362 6.374 1.00 0.00 O ATOM 323 ND2 ASN A 23 -12.474 -3.319 7.275 1.00 0.00 N ATOM 0 H ASN A 23 -10.792 -3.131 2.789 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.933 -0.873 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.095 -3.557 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.614 -3.402 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.011 -3.059 8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.053 -4.246 7.211 1.00 0.00 H new ATOM 330 N GLN A 24 -8.733 -1.527 4.540 1.00 0.00 N ATOM 331 CA GLN A 24 -7.469 -0.929 5.060 1.00 0.00 C ATOM 332 C GLN A 24 -7.274 0.470 4.472 1.00 0.00 C ATOM 333 O GLN A 24 -7.100 1.438 5.186 1.00 0.00 O ATOM 334 CB GLN A 24 -6.358 -1.865 4.586 1.00 0.00 C ATOM 335 CG GLN A 24 -5.033 -1.441 5.223 1.00 0.00 C ATOM 336 CD GLN A 24 -4.965 -1.965 6.658 1.00 0.00 C ATOM 337 OE1 GLN A 24 -4.730 -3.136 6.880 1.00 0.00 O ATOM 338 NE2 GLN A 24 -5.164 -1.140 7.650 1.00 0.00 N ATOM 0 H GLN A 24 -8.616 -2.365 3.971 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.477 -0.826 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.593 -2.894 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.279 -1.833 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.197 -1.831 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.946 -0.355 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.361 -0.157 7.464 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.122 -1.479 8.611 1.00 0.00 H new ATOM 347 N CYS A 25 -7.306 0.583 3.172 1.00 0.00 N ATOM 348 CA CYS A 25 -7.127 1.918 2.538 1.00 0.00 C ATOM 349 C CYS A 25 -8.153 2.902 3.103 1.00 0.00 C ATOM 350 O CYS A 25 -7.810 3.966 3.579 1.00 0.00 O ATOM 351 CB CYS A 25 -7.364 1.682 1.046 1.00 0.00 C ATOM 352 SG CYS A 25 -6.041 0.635 0.388 1.00 0.00 S ATOM 0 H CYS A 25 -7.448 -0.191 2.523 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.141 2.343 2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.332 1.205 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.389 2.634 0.515 1.00 0.00 H new ATOM 357 N LYS A 26 -9.410 2.553 3.062 1.00 0.00 N ATOM 358 CA LYS A 26 -10.451 3.469 3.606 1.00 0.00 C ATOM 359 C LYS A 26 -10.025 3.974 4.984 1.00 0.00 C ATOM 360 O LYS A 26 -10.054 5.157 5.264 1.00 0.00 O ATOM 361 CB LYS A 26 -11.713 2.613 3.715 1.00 0.00 C ATOM 362 CG LYS A 26 -12.931 3.519 3.890 1.00 0.00 C ATOM 363 CD LYS A 26 -13.376 4.041 2.524 1.00 0.00 C ATOM 364 CE LYS A 26 -13.024 5.525 2.406 1.00 0.00 C ATOM 365 NZ LYS A 26 -13.446 5.910 1.031 1.00 0.00 N ATOM 0 H LYS A 26 -9.760 1.676 2.676 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.609 4.344 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.828 2.000 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.630 1.930 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.743 2.967 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.686 4.353 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.887 3.476 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.450 3.900 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.545 6.116 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.957 5.691 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.604 6.073 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.016 5.145 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.013 6.781 1.073 1.00 0.00 H new ATOM 379 N MET A 27 -9.623 3.082 5.847 1.00 0.00 N ATOM 380 CA MET A 27 -9.188 3.504 7.208 1.00 0.00 C ATOM 381 C MET A 27 -8.100 4.576 7.101 1.00 0.00 C ATOM 382 O MET A 27 -8.035 5.489 7.899 1.00 0.00 O ATOM 383 CB MET A 27 -8.626 2.236 7.853 1.00 0.00 C ATOM 384 CG MET A 27 -9.776 1.345 8.324 1.00 0.00 C ATOM 385 SD MET A 27 -9.545 0.935 10.072 1.00 0.00 S ATOM 386 CE MET A 27 -7.783 0.532 9.983 1.00 0.00 C ATOM 0 H MET A 27 -9.577 2.079 5.668 1.00 0.00 H new ATOM 0 HA MET A 27 -10.004 3.932 7.791 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.005 1.697 7.138 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.987 2.498 8.696 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.728 1.856 8.182 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.812 0.434 7.727 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.557 -0.268 10.688 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.535 0.206 8.973 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.195 1.415 10.234 1.00 0.00 H new ATOM 396 N LYS A 28 -7.243 4.467 6.122 1.00 0.00 N ATOM 397 CA LYS A 28 -6.155 5.476 5.964 1.00 0.00 C ATOM 398 C LYS A 28 -6.632 6.651 5.103 1.00 0.00 C ATOM 399 O LYS A 28 -5.842 7.387 4.546 1.00 0.00 O ATOM 400 CB LYS A 28 -5.019 4.725 5.269 1.00 0.00 C ATOM 401 CG LYS A 28 -4.734 3.423 6.021 1.00 0.00 C ATOM 402 CD LYS A 28 -3.354 2.895 5.624 1.00 0.00 C ATOM 403 CE LYS A 28 -2.810 1.999 6.739 1.00 0.00 C ATOM 404 NZ LYS A 28 -2.132 2.930 7.682 1.00 0.00 N ATOM 0 H LYS A 28 -7.249 3.723 5.424 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.843 5.897 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.290 4.509 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.123 5.345 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.773 3.596 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.499 2.682 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.422 2.333 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.672 3.727 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.613 1.452 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.114 1.258 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.732 2.390 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.369 3.432 7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.821 3.619 8.045 1.00 0.00 H new ATOM 418 N LYS A 29 -7.921 6.835 4.997 1.00 0.00 N ATOM 419 CA LYS A 29 -8.459 7.964 4.182 1.00 0.00 C ATOM 420 C LYS A 29 -8.233 7.718 2.686 1.00 0.00 C ATOM 421 O LYS A 29 -7.864 8.612 1.952 1.00 0.00 O ATOM 422 CB LYS A 29 -7.688 9.200 4.644 1.00 0.00 C ATOM 423 CG LYS A 29 -8.567 10.439 4.465 1.00 0.00 C ATOM 424 CD LYS A 29 -8.200 11.487 5.519 1.00 0.00 C ATOM 425 CE LYS A 29 -9.320 11.579 6.559 1.00 0.00 C ATOM 426 NZ LYS A 29 -9.907 12.935 6.372 1.00 0.00 N ATOM 0 H LYS A 29 -8.628 6.249 5.442 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.534 8.079 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.399 9.093 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.769 9.306 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.432 10.852 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.619 10.168 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.261 11.218 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.048 12.457 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.067 10.800 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.932 11.453 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.683 13.074 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.174 13.656 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.274 13.024 5.403 1.00 0.00 H new ATOM 440 N ALA A 30 -8.466 6.520 2.223 1.00 0.00 N ATOM 441 CA ALA A 30 -8.278 6.236 0.770 1.00 0.00 C ATOM 442 C ALA A 30 -9.601 5.766 0.162 1.00 0.00 C ATOM 443 O ALA A 30 -10.589 5.610 0.852 1.00 0.00 O ATOM 444 CB ALA A 30 -7.225 5.128 0.700 1.00 0.00 C ATOM 0 H ALA A 30 -8.777 5.728 2.785 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.961 7.118 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.038 4.869 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.300 5.476 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.586 4.248 1.233 1.00 0.00 H new ATOM 450 N SER A 31 -9.635 5.545 -1.123 1.00 0.00 N ATOM 451 CA SER A 31 -10.903 5.093 -1.765 1.00 0.00 C ATOM 452 C SER A 31 -10.662 3.838 -2.610 1.00 0.00 C ATOM 453 O SER A 31 -11.470 2.931 -2.634 1.00 0.00 O ATOM 454 CB SER A 31 -11.338 6.261 -2.651 1.00 0.00 C ATOM 455 OG SER A 31 -10.247 7.159 -2.816 1.00 0.00 O ATOM 0 H SER A 31 -8.843 5.657 -1.755 1.00 0.00 H new ATOM 0 HA SER A 31 -11.663 4.833 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.670 5.892 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.185 6.779 -2.200 1.00 0.00 H new ATOM 0 HG SER A 31 -9.613 6.788 -3.465 1.00 0.00 H new ATOM 461 N GLY A 32 -9.559 3.778 -3.304 1.00 0.00 N ATOM 462 CA GLY A 32 -9.277 2.580 -4.146 1.00 0.00 C ATOM 463 C GLY A 32 -8.291 1.664 -3.421 1.00 0.00 C ATOM 464 O GLY A 32 -7.095 1.746 -3.619 1.00 0.00 O ATOM 0 H GLY A 32 -8.843 4.504 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.203 2.043 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.864 2.887 -5.107 1.00 0.00 H new ATOM 468 N GLY A 33 -8.780 0.793 -2.581 1.00 0.00 N ATOM 469 CA GLY A 33 -7.867 -0.124 -1.843 1.00 0.00 C ATOM 470 C GLY A 33 -7.997 -1.545 -2.395 1.00 0.00 C ATOM 471 O GLY A 33 -9.066 -2.124 -2.405 1.00 0.00 O ATOM 0 H GLY A 33 -9.772 0.677 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.837 0.220 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.109 -0.114 -0.780 1.00 0.00 H new ATOM 475 N HIS A 34 -6.914 -2.112 -2.855 1.00 0.00 N ATOM 476 CA HIS A 34 -6.970 -3.495 -3.409 1.00 0.00 C ATOM 477 C HIS A 34 -5.598 -4.168 -3.292 1.00 0.00 C ATOM 478 O HIS A 34 -4.625 -3.552 -2.906 1.00 0.00 O ATOM 479 CB HIS A 34 -7.349 -3.306 -4.875 1.00 0.00 C ATOM 480 CG HIS A 34 -6.399 -2.329 -5.508 1.00 0.00 C ATOM 481 ND1 HIS A 34 -6.814 -1.095 -5.985 1.00 0.00 N ATOM 482 CD2 HIS A 34 -5.047 -2.385 -5.742 1.00 0.00 C ATOM 483 CE1 HIS A 34 -5.731 -0.465 -6.475 1.00 0.00 C ATOM 484 NE2 HIS A 34 -4.628 -1.207 -6.352 1.00 0.00 N ATOM 0 H HIS A 34 -5.992 -1.676 -2.871 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.679 -4.130 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.310 -4.261 -5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.373 -2.940 -4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.406 -3.217 -5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.751 0.521 -6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.681 -0.963 -6.643 1.00 0.00 H new ATOM 492 N CYS A 35 -5.514 -5.427 -3.627 1.00 0.00 N ATOM 493 CA CYS A 35 -4.206 -6.138 -3.543 1.00 0.00 C ATOM 494 C CYS A 35 -3.575 -6.228 -4.935 1.00 0.00 C ATOM 495 O CYS A 35 -4.136 -6.811 -5.842 1.00 0.00 O ATOM 496 CB CYS A 35 -4.546 -7.532 -3.012 1.00 0.00 C ATOM 497 SG CYS A 35 -3.030 -8.508 -2.854 1.00 0.00 S ATOM 0 H CYS A 35 -6.295 -5.994 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.491 -5.625 -2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.042 -7.453 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.242 -8.030 -3.687 1.00 0.00 H new ATOM 502 N TYR A 36 -2.419 -5.650 -5.118 1.00 0.00 N ATOM 503 CA TYR A 36 -1.770 -5.702 -6.460 1.00 0.00 C ATOM 504 C TYR A 36 -0.282 -6.040 -6.332 1.00 0.00 C ATOM 505 O TYR A 36 0.427 -5.482 -5.518 1.00 0.00 O ATOM 506 CB TYR A 36 -1.949 -4.298 -7.039 1.00 0.00 C ATOM 507 CG TYR A 36 -2.582 -4.398 -8.406 1.00 0.00 C ATOM 508 CD1 TYR A 36 -2.158 -5.386 -9.302 1.00 0.00 C ATOM 509 CD2 TYR A 36 -3.592 -3.502 -8.778 1.00 0.00 C ATOM 510 CE1 TYR A 36 -2.743 -5.479 -10.570 1.00 0.00 C ATOM 511 CE2 TYR A 36 -4.178 -3.595 -10.046 1.00 0.00 C ATOM 512 CZ TYR A 36 -3.753 -4.583 -10.942 1.00 0.00 C ATOM 513 OH TYR A 36 -4.331 -4.673 -12.193 1.00 0.00 O ATOM 0 H TYR A 36 -1.898 -5.146 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.211 -6.471 -7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.575 -3.697 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.984 -3.795 -7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.379 -6.077 -9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.919 -2.739 -8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.416 -6.241 -11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.958 -2.905 -10.333 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.015 -3.977 -12.288 1.00 0.00 H new ATOM 523 N ALA A 37 0.196 -6.947 -7.140 1.00 0.00 N ATOM 524 CA ALA A 37 1.638 -7.324 -7.084 1.00 0.00 C ATOM 525 C ALA A 37 2.008 -7.857 -5.696 1.00 0.00 C ATOM 526 O ALA A 37 3.087 -7.610 -5.195 1.00 0.00 O ATOM 527 CB ALA A 37 2.397 -6.032 -7.381 1.00 0.00 C ATOM 0 H ALA A 37 -0.353 -7.446 -7.840 1.00 0.00 H new ATOM 0 HA ALA A 37 1.879 -8.115 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.469 -6.226 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.116 -5.664 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.148 -5.283 -6.629 1.00 0.00 H new ATOM 533 N MET A 38 1.127 -8.594 -5.076 1.00 0.00 N ATOM 534 CA MET A 38 1.433 -9.154 -3.725 1.00 0.00 C ATOM 535 C MET A 38 1.500 -8.040 -2.674 1.00 0.00 C ATOM 536 O MET A 38 1.819 -8.281 -1.527 1.00 0.00 O ATOM 537 CB MET A 38 2.799 -9.829 -3.875 1.00 0.00 C ATOM 538 CG MET A 38 2.976 -10.880 -2.778 1.00 0.00 C ATOM 539 SD MET A 38 1.781 -12.216 -3.024 1.00 0.00 S ATOM 540 CE MET A 38 0.683 -11.789 -1.651 1.00 0.00 C ATOM 0 H MET A 38 0.207 -8.834 -5.446 1.00 0.00 H new ATOM 0 HA MET A 38 0.663 -9.850 -3.392 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.879 -10.296 -4.856 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.593 -9.085 -3.811 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.991 -11.277 -2.800 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.833 -10.426 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.339 -12.073 -1.901 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.999 -12.321 -0.754 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.727 -10.715 -1.470 1.00 0.00 H new ATOM 550 N SER A 39 1.204 -6.826 -3.049 1.00 0.00 N ATOM 551 CA SER A 39 1.255 -5.715 -2.058 1.00 0.00 C ATOM 552 C SER A 39 -0.074 -4.958 -2.042 1.00 0.00 C ATOM 553 O SER A 39 -0.838 -5.003 -2.986 1.00 0.00 O ATOM 554 CB SER A 39 2.383 -4.805 -2.539 1.00 0.00 C ATOM 555 OG SER A 39 3.451 -5.602 -3.035 1.00 0.00 O ATOM 0 H SER A 39 0.930 -6.556 -3.994 1.00 0.00 H new ATOM 0 HA SER A 39 1.427 -6.076 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.019 -4.137 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.733 -4.177 -1.720 1.00 0.00 H new ATOM 0 HG SER A 39 4.176 -5.021 -3.346 1.00 0.00 H new ATOM 561 N CYS A 40 -0.354 -4.258 -0.978 1.00 0.00 N ATOM 562 CA CYS A 40 -1.632 -3.495 -0.907 1.00 0.00 C ATOM 563 C CYS A 40 -1.464 -2.132 -1.582 1.00 0.00 C ATOM 564 O CYS A 40 -0.372 -1.609 -1.684 1.00 0.00 O ATOM 565 CB CYS A 40 -1.915 -3.323 0.585 1.00 0.00 C ATOM 566 SG CYS A 40 -3.602 -2.707 0.809 1.00 0.00 S ATOM 0 H CYS A 40 0.245 -4.181 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.448 -4.008 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.792 -4.275 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.200 -2.627 1.024 1.00 0.00 H new ATOM 571 N TYR A 41 -2.536 -1.552 -2.045 1.00 0.00 N ATOM 572 CA TYR A 41 -2.432 -0.225 -2.713 1.00 0.00 C ATOM 573 C TYR A 41 -3.716 0.577 -2.496 1.00 0.00 C ATOM 574 O TYR A 41 -4.809 0.054 -2.587 1.00 0.00 O ATOM 575 CB TYR A 41 -2.243 -0.544 -4.197 1.00 0.00 C ATOM 576 CG TYR A 41 -1.782 0.696 -4.926 1.00 0.00 C ATOM 577 CD1 TYR A 41 -0.559 1.289 -4.594 1.00 0.00 C ATOM 578 CD2 TYR A 41 -2.577 1.251 -5.935 1.00 0.00 C ATOM 579 CE1 TYR A 41 -0.130 2.436 -5.270 1.00 0.00 C ATOM 580 CE2 TYR A 41 -2.148 2.399 -6.612 1.00 0.00 C ATOM 581 CZ TYR A 41 -0.925 2.992 -6.279 1.00 0.00 C ATOM 582 OH TYR A 41 -0.503 4.124 -6.946 1.00 0.00 O ATOM 0 H TYR A 41 -3.478 -1.939 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.613 0.375 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.511 -1.342 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.179 -0.903 -4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.054 0.861 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.521 0.794 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.815 2.893 -5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.761 2.827 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.172 4.377 -7.616 1.00 0.00 H new ATOM 592 N CYS A 42 -3.594 1.844 -2.211 1.00 0.00 N ATOM 593 CA CYS A 42 -4.811 2.677 -1.990 1.00 0.00 C ATOM 594 C CYS A 42 -4.832 3.853 -2.971 1.00 0.00 C ATOM 595 O CYS A 42 -3.802 4.388 -3.339 1.00 0.00 O ATOM 596 CB CYS A 42 -4.698 3.177 -0.550 1.00 0.00 C ATOM 597 SG CYS A 42 -4.381 1.774 0.549 1.00 0.00 S ATOM 0 H CYS A 42 -2.706 2.338 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.730 2.114 -2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.892 3.906 -0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.617 3.683 -0.256 1.00 0.00 H new ATOM 602 N GLU A 43 -5.999 4.258 -3.398 1.00 0.00 N ATOM 603 CA GLU A 43 -6.091 5.397 -4.356 1.00 0.00 C ATOM 604 C GLU A 43 -6.853 6.562 -3.719 1.00 0.00 C ATOM 605 O GLU A 43 -8.062 6.540 -3.608 1.00 0.00 O ATOM 606 CB GLU A 43 -6.861 4.845 -5.556 1.00 0.00 C ATOM 607 CG GLU A 43 -7.120 5.972 -6.558 1.00 0.00 C ATOM 608 CD GLU A 43 -8.193 5.531 -7.556 1.00 0.00 C ATOM 609 OE1 GLU A 43 -9.362 5.683 -7.245 1.00 0.00 O ATOM 610 OE2 GLU A 43 -7.826 5.050 -8.616 1.00 0.00 O ATOM 0 H GLU A 43 -6.892 3.849 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.110 5.777 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.292 4.046 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.806 4.412 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.443 6.872 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.199 6.223 -7.085 1.00 0.00 H new ATOM 617 N GLY A 44 -6.153 7.576 -3.295 1.00 0.00 N ATOM 618 CA GLY A 44 -6.830 8.740 -2.660 1.00 0.00 C ATOM 619 C GLY A 44 -6.187 9.018 -1.299 1.00 0.00 C ATOM 620 O GLY A 44 -6.563 9.938 -0.600 1.00 0.00 O ATOM 0 H GLY A 44 -5.138 7.649 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.747 9.618 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.893 8.535 -2.538 1.00 0.00 H new ATOM 624 N LEU A 45 -5.220 8.225 -0.919 1.00 0.00 N ATOM 625 CA LEU A 45 -4.544 8.433 0.393 1.00 0.00 C ATOM 626 C LEU A 45 -4.263 9.920 0.623 1.00 0.00 C ATOM 627 O LEU A 45 -4.412 10.728 -0.272 1.00 0.00 O ATOM 628 CB LEU A 45 -3.234 7.653 0.278 1.00 0.00 C ATOM 629 CG LEU A 45 -3.468 6.195 0.672 1.00 0.00 C ATOM 630 CD1 LEU A 45 -2.223 5.375 0.336 1.00 0.00 C ATOM 631 CD2 LEU A 45 -3.743 6.108 2.175 1.00 0.00 C ATOM 0 H LEU A 45 -4.868 7.438 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.155 8.098 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.855 7.708 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.477 8.098 0.924 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.325 5.803 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.386 4.334 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.025 5.436 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.369 5.769 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.910 5.068 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.887 6.499 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.629 6.695 2.417 1.00 0.00 H new ATOM 643 N PRO A 46 -3.863 10.230 1.825 1.00 0.00 N ATOM 644 CA PRO A 46 -3.555 11.635 2.187 1.00 0.00 C ATOM 645 C PRO A 46 -2.269 12.098 1.498 1.00 0.00 C ATOM 646 O PRO A 46 -1.392 11.310 1.200 1.00 0.00 O ATOM 647 CB PRO A 46 -3.382 11.586 3.703 1.00 0.00 C ATOM 648 CG PRO A 46 -3.000 10.171 4.000 1.00 0.00 C ATOM 649 CD PRO A 46 -3.656 9.312 2.950 1.00 0.00 C ATOM 0 HA PRO A 46 -4.329 12.337 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.611 12.282 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.304 11.862 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.917 10.050 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.331 9.883 4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.022 8.471 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.599 8.896 3.305 1.00 0.00 H new ATOM 657 N GLU A 47 -2.157 13.370 1.236 1.00 0.00 N ATOM 658 CA GLU A 47 -0.936 13.894 0.559 1.00 0.00 C ATOM 659 C GLU A 47 0.323 13.492 1.331 1.00 0.00 C ATOM 660 O GLU A 47 1.419 13.519 0.806 1.00 0.00 O ATOM 661 CB GLU A 47 -1.108 15.413 0.565 1.00 0.00 C ATOM 662 CG GLU A 47 -0.011 16.054 -0.287 1.00 0.00 C ATOM 663 CD GLU A 47 0.646 17.189 0.500 1.00 0.00 C ATOM 664 OE1 GLU A 47 0.530 17.185 1.714 1.00 0.00 O ATOM 665 OE2 GLU A 47 1.252 18.043 -0.126 1.00 0.00 O ATOM 0 H GLU A 47 -2.861 14.073 1.462 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.822 13.496 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.090 15.680 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.058 15.791 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.735 15.308 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.434 16.438 -1.215 1.00 0.00 H new ATOM 672 N ASN A 48 0.182 13.125 2.573 1.00 0.00 N ATOM 673 CA ASN A 48 1.380 12.731 3.367 1.00 0.00 C ATOM 674 C ASN A 48 1.231 11.303 3.899 1.00 0.00 C ATOM 675 O ASN A 48 1.709 10.979 4.968 1.00 0.00 O ATOM 676 CB ASN A 48 1.432 13.731 4.521 1.00 0.00 C ATOM 677 CG ASN A 48 0.276 13.461 5.485 1.00 0.00 C ATOM 678 OD1 ASN A 48 -0.859 13.784 5.197 1.00 0.00 O ATOM 679 ND2 ASN A 48 0.519 12.877 6.626 1.00 0.00 N ATOM 0 H ASN A 48 -0.706 13.080 3.072 1.00 0.00 H new ATOM 0 HA ASN A 48 2.291 12.745 2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.384 13.647 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.368 14.749 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.244 12.691 7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.472 12.606 6.867 1.00 0.00 H new ATOM 686 N ALA A 49 0.579 10.442 3.164 1.00 0.00 N ATOM 687 CA ALA A 49 0.417 9.041 3.641 1.00 0.00 C ATOM 688 C ALA A 49 1.786 8.368 3.741 1.00 0.00 C ATOM 689 O ALA A 49 2.734 8.768 3.094 1.00 0.00 O ATOM 690 CB ALA A 49 -0.441 8.351 2.580 1.00 0.00 C ATOM 0 H ALA A 49 0.155 10.648 2.260 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.044 8.990 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.604 7.311 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.402 8.860 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.070 8.389 1.618 1.00 0.00 H new ATOM 696 N LYS A 50 1.897 7.347 4.541 1.00 0.00 N ATOM 697 CA LYS A 50 3.206 6.648 4.675 1.00 0.00 C ATOM 698 C LYS A 50 3.246 5.445 3.731 1.00 0.00 C ATOM 699 O LYS A 50 3.082 4.313 4.144 1.00 0.00 O ATOM 700 CB LYS A 50 3.271 6.195 6.134 1.00 0.00 C ATOM 701 CG LYS A 50 4.683 5.700 6.453 1.00 0.00 C ATOM 702 CD LYS A 50 5.384 6.704 7.371 1.00 0.00 C ATOM 703 CE LYS A 50 6.443 5.980 8.206 1.00 0.00 C ATOM 704 NZ LYS A 50 7.224 7.065 8.861 1.00 0.00 N ATOM 0 H LYS A 50 1.140 6.965 5.108 1.00 0.00 H new ATOM 0 HA LYS A 50 4.050 7.288 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.006 7.021 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.547 5.400 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.637 4.723 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.252 5.575 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.849 7.492 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.656 7.185 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.983 5.324 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.081 5.357 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.971 6.647 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.656 7.670 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.592 7.637 9.456 1.00 0.00 H new ATOM 718 N VAL A 51 3.451 5.682 2.465 1.00 0.00 N ATOM 719 CA VAL A 51 3.487 4.551 1.495 1.00 0.00 C ATOM 720 C VAL A 51 4.803 4.543 0.717 1.00 0.00 C ATOM 721 O VAL A 51 5.610 5.445 0.826 1.00 0.00 O ATOM 722 CB VAL A 51 2.320 4.813 0.546 1.00 0.00 C ATOM 723 CG1 VAL A 51 1.003 4.672 1.306 1.00 0.00 C ATOM 724 CG2 VAL A 51 2.433 6.230 -0.020 1.00 0.00 C ATOM 0 H VAL A 51 3.595 6.607 2.061 1.00 0.00 H new ATOM 0 HA VAL A 51 3.412 3.586 1.995 1.00 0.00 H new ATOM 0 HB VAL A 51 2.346 4.091 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.170 4.859 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.922 3.663 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.975 5.393 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.600 6.419 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.406 6.951 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.373 6.331 -0.563 1.00 0.00 H new ATOM 734 N SER A 52 5.018 3.529 -0.075 1.00 0.00 N ATOM 735 CA SER A 52 6.273 3.452 -0.874 1.00 0.00 C ATOM 736 C SER A 52 6.180 4.386 -2.085 1.00 0.00 C ATOM 737 O SER A 52 5.116 4.608 -2.629 1.00 0.00 O ATOM 738 CB SER A 52 6.364 1.993 -1.321 1.00 0.00 C ATOM 739 OG SER A 52 7.570 1.797 -2.046 1.00 0.00 O ATOM 0 H SER A 52 4.376 2.747 -0.204 1.00 0.00 H new ATOM 0 HA SER A 52 7.151 3.757 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.336 1.333 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.507 1.738 -1.944 1.00 0.00 H new ATOM 0 HG SER A 52 8.185 1.248 -1.516 1.00 0.00 H new ATOM 745 N ASP A 53 7.284 4.937 -2.508 1.00 0.00 N ATOM 746 CA ASP A 53 7.255 5.859 -3.681 1.00 0.00 C ATOM 747 C ASP A 53 7.987 5.229 -4.869 1.00 0.00 C ATOM 748 O ASP A 53 8.323 5.896 -5.828 1.00 0.00 O ATOM 749 CB ASP A 53 7.984 7.118 -3.211 1.00 0.00 C ATOM 750 CG ASP A 53 9.409 6.754 -2.793 1.00 0.00 C ATOM 751 OD1 ASP A 53 9.823 5.643 -3.079 1.00 0.00 O ATOM 752 OD2 ASP A 53 10.063 7.593 -2.195 1.00 0.00 O ATOM 0 H ASP A 53 8.204 4.790 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 53 6.239 6.074 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.006 7.859 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.451 7.569 -2.373 1.00 0.00 H new ATOM 757 N SER A 54 8.238 3.951 -4.814 1.00 0.00 N ATOM 758 CA SER A 54 8.948 3.281 -5.940 1.00 0.00 C ATOM 759 C SER A 54 8.158 2.055 -6.404 1.00 0.00 C ATOM 760 O SER A 54 8.029 1.080 -5.690 1.00 0.00 O ATOM 761 CB SER A 54 10.299 2.866 -5.360 1.00 0.00 C ATOM 762 OG SER A 54 10.124 2.446 -4.013 1.00 0.00 O ATOM 0 H SER A 54 7.982 3.341 -4.038 1.00 0.00 H new ATOM 0 HA SER A 54 9.061 3.931 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.729 2.058 -5.952 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.999 3.701 -5.405 1.00 0.00 H new ATOM 0 HG SER A 54 9.481 1.707 -3.982 1.00 0.00 H new ATOM 768 N ALA A 55 7.628 2.095 -7.596 1.00 0.00 N ATOM 769 CA ALA A 55 6.846 0.932 -8.104 1.00 0.00 C ATOM 770 C ALA A 55 7.767 -0.046 -8.837 1.00 0.00 C ATOM 771 O ALA A 55 7.323 -0.882 -9.599 1.00 0.00 O ATOM 772 CB ALA A 55 5.821 1.530 -9.068 1.00 0.00 C ATOM 0 H ALA A 55 7.703 2.882 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 55 6.368 0.374 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.205 0.733 -9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.187 2.236 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.339 2.048 -9.875 1.00 0.00 H new ATOM 778 N THR A 56 9.048 0.051 -8.611 1.00 0.00 N ATOM 779 CA THR A 56 9.997 -0.875 -9.291 1.00 0.00 C ATOM 780 C THR A 56 11.223 -1.108 -8.408 1.00 0.00 C ATOM 781 O THR A 56 12.346 -0.888 -8.815 1.00 0.00 O ATOM 782 CB THR A 56 10.396 -0.159 -10.582 1.00 0.00 C ATOM 783 OG1 THR A 56 10.942 1.114 -10.264 1.00 0.00 O ATOM 784 CG2 THR A 56 9.164 0.017 -11.471 1.00 0.00 C ATOM 0 H THR A 56 9.479 0.731 -7.985 1.00 0.00 H new ATOM 0 HA THR A 56 9.553 -1.851 -9.489 1.00 0.00 H new ATOM 0 HB THR A 56 11.141 -0.751 -11.113 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.200 1.575 -11.090 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.449 0.527 -12.391 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.747 -0.961 -11.713 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.417 0.610 -10.944 1.00 0.00 H new ATOM 792 N ASN A 57 11.015 -1.548 -7.198 1.00 0.00 N ATOM 793 CA ASN A 57 12.167 -1.792 -6.286 1.00 0.00 C ATOM 794 C ASN A 57 11.756 -2.737 -5.154 1.00 0.00 C ATOM 795 O ASN A 57 10.754 -2.535 -4.498 1.00 0.00 O ATOM 796 CB ASN A 57 12.522 -0.413 -5.728 1.00 0.00 C ATOM 797 CG ASN A 57 11.393 0.073 -4.816 1.00 0.00 C ATOM 798 OD1 ASN A 57 10.232 -0.037 -5.155 1.00 0.00 O ATOM 799 ND2 ASN A 57 11.688 0.610 -3.664 1.00 0.00 N ATOM 0 H ASN A 57 10.097 -1.749 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 57 13.009 -2.258 -6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.458 -0.464 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.675 0.293 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.944 0.937 -3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.663 0.702 -3.379 1.00 0.00 H new ATOM 806 N ILE A 58 12.526 -3.763 -4.916 1.00 0.00 N ATOM 807 CA ILE A 58 12.180 -4.714 -3.822 1.00 0.00 C ATOM 808 C ILE A 58 13.042 -4.422 -2.587 1.00 0.00 C ATOM 809 O ILE A 58 14.249 -4.564 -2.607 1.00 0.00 O ATOM 810 CB ILE A 58 12.475 -6.103 -4.399 1.00 0.00 C ATOM 811 CG1 ILE A 58 11.743 -7.164 -3.575 1.00 0.00 C ATOM 812 CG2 ILE A 58 13.980 -6.379 -4.363 1.00 0.00 C ATOM 813 CD1 ILE A 58 10.393 -7.471 -4.227 1.00 0.00 C ATOM 0 H ILE A 58 13.378 -3.984 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 58 11.142 -4.632 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 58 12.131 -6.139 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.344 -8.071 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.595 -6.810 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 58 14.178 -7.368 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 58 14.502 -5.628 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 58 14.333 -6.338 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.870 -8.227 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.793 -6.562 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.554 -7.843 -5.239 1.00 0.00 H new ATOM 825 N CYS A 59 12.433 -3.997 -1.513 1.00 0.00 N ATOM 826 CA CYS A 59 13.221 -3.685 -0.287 1.00 0.00 C ATOM 827 C CYS A 59 13.530 -4.966 0.490 1.00 0.00 C ATOM 828 O CYS A 59 12.725 -5.874 0.558 1.00 0.00 O ATOM 829 CB CYS A 59 12.324 -2.760 0.537 1.00 0.00 C ATOM 830 SG CYS A 59 10.809 -3.636 0.996 1.00 0.00 S ATOM 0 H CYS A 59 11.427 -3.853 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 59 14.179 -3.221 -0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.850 -2.429 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.080 -1.867 -0.038 1.00 0.00 H new ATOM 835 N GLY A 60 14.693 -5.045 1.077 1.00 0.00 N ATOM 836 CA GLY A 60 15.056 -6.265 1.850 1.00 0.00 C ATOM 837 C GLY A 60 13.951 -6.572 2.862 1.00 0.00 C ATOM 838 O GLY A 60 14.036 -7.602 3.509 1.00 0.00 O ATOM 839 OXT GLY A 60 13.039 -5.769 2.973 1.00 0.00 O ATOM 0 H GLY A 60 15.407 -4.317 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.191 -7.110 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.005 -6.114 2.365 1.00 0.00 H new TER 843 GLY A 60