USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 755 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 41 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.15) USER MOD Set 1.2: A 78 TYR OH : rot 21:sc= 0.383 USER MOD Set 2.1: A 10 TYR OH : rot -30:sc= 0.357 USER MOD Set 2.2: A 24 ASN : amide:sc= -0.584 K(o=-0.23,f=-2.3!) USER MOD Set 3.1: A 11 SER OG : rot -94:sc= 0.161 USER MOD Set 3.2: A 21 ASN : amide:sc= -1.08 K(o=-0.92,f=-0.28!) USER MOD Single : A 2 GLN : amide:sc= -0.815 X(o=-0.82,f=-0.81) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0336) USER MOD Single : A 8 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.86) USER MOD Single : A 13 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-1.8) USER MOD Single : A 17 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 43:sc= 0.0357 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.31) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.013) USER MOD Single : A 52 SER OG : rot -35:sc= 0.512 USER MOD Single : A 55 SER OG : rot 180:sc= 0.04 USER MOD Single : A 57 SER OG : rot -129:sc= 1.29 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0252) USER MOD Single : A 61 SER OG : rot 142:sc= 0.42 USER MOD Single : A 63 TYR OH : rot 130:sc= 0 USER MOD Single : A 66 TYR OH : rot 15:sc= -0.545 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 74:sc= 0.563 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0585) USER MOD Single : A 83 ASN : amide:sc= 0.621 K(o=0.62,f=-4.1!) USER MOD Single : A 84 HIS : no HD1:sc= 0.111 K(o=0.11,f=-5.2!) USER MOD Single : A 86 THR OG1 : rot 90:sc= -0.0152 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= 0.331 (180deg=-0.659!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 -5.241 -19.378 -1.927 1.00 0.00 N ATOM 40 CA GLN A 2 -5.689 -18.001 -2.040 1.00 0.00 C ATOM 41 C GLN A 2 -5.491 -17.256 -0.716 1.00 0.00 C ATOM 42 O GLN A 2 -6.455 -17.023 0.012 1.00 0.00 O ATOM 43 CB GLN A 2 -7.164 -17.968 -2.479 1.00 0.00 C ATOM 44 CG GLN A 2 -7.443 -18.684 -3.815 1.00 0.00 C ATOM 45 CD GLN A 2 -7.456 -20.209 -3.717 1.00 0.00 C ATOM 46 OE1 GLN A 2 -6.689 -20.884 -4.399 1.00 0.00 O ATOM 47 NE2 GLN A 2 -8.322 -20.761 -2.866 1.00 0.00 N ATOM 0 HA GLN A 2 -5.090 -17.494 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.773 -18.426 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.483 -16.929 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.405 -18.348 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.687 -18.384 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.944 -20.169 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.362 -21.775 -2.766 1.00 0.00 H new ATOM 56 N ARG A 3 -4.250 -16.857 -0.406 1.00 0.00 N ATOM 57 CA ARG A 3 -3.972 -16.067 0.786 1.00 0.00 C ATOM 58 C ARG A 3 -4.339 -14.601 0.548 1.00 0.00 C ATOM 59 O ARG A 3 -3.663 -13.904 -0.208 1.00 0.00 O ATOM 60 CB ARG A 3 -2.506 -16.185 1.198 1.00 0.00 C ATOM 61 CG ARG A 3 -2.139 -17.585 1.698 1.00 0.00 C ATOM 62 CD ARG A 3 -0.788 -17.499 2.409 1.00 0.00 C ATOM 63 NE ARG A 3 -0.339 -18.811 2.899 1.00 0.00 N ATOM 64 CZ ARG A 3 0.945 -19.138 3.128 1.00 0.00 C ATOM 65 NH1 ARG A 3 1.922 -18.250 2.906 1.00 0.00 N ATOM 66 NH2 ARG A 3 1.253 -20.363 3.574 1.00 0.00 N ATOM 0 H ARG A 3 -3.427 -17.072 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.583 -16.458 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.873 -15.931 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.294 -15.458 1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.904 -17.958 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.086 -18.285 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.043 -17.093 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.862 -16.805 3.246 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.050 -19.521 3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.695 -17.318 2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.894 -18.506 3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.514 -21.046 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.227 -20.613 3.748 1.00 0.00 H new ATOM 80 N THR A 4 -5.393 -14.135 1.228 1.00 0.00 N ATOM 81 CA THR A 4 -5.818 -12.743 1.235 1.00 0.00 C ATOM 82 C THR A 4 -4.718 -11.876 1.872 1.00 0.00 C ATOM 83 O THR A 4 -4.204 -12.244 2.927 1.00 0.00 O ATOM 84 CB THR A 4 -7.132 -12.641 2.027 1.00 0.00 C ATOM 85 OG1 THR A 4 -8.068 -13.560 1.502 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.746 -11.238 1.979 1.00 0.00 C ATOM 0 H THR A 4 -5.985 -14.736 1.801 1.00 0.00 H new ATOM 0 HA THR A 4 -5.985 -12.384 0.219 1.00 0.00 H new ATOM 0 HB THR A 4 -6.896 -12.866 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.906 -13.498 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.671 -11.226 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.045 -10.519 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.959 -10.969 0.944 1.00 0.00 H new ATOM 94 N PRO A 5 -4.340 -10.739 1.262 1.00 0.00 N ATOM 95 CA PRO A 5 -3.302 -9.858 1.777 1.00 0.00 C ATOM 96 C PRO A 5 -3.754 -9.118 3.038 1.00 0.00 C ATOM 97 O PRO A 5 -4.900 -8.680 3.130 1.00 0.00 O ATOM 98 CB PRO A 5 -3.012 -8.871 0.642 1.00 0.00 C ATOM 99 CG PRO A 5 -4.339 -8.797 -0.107 1.00 0.00 C ATOM 100 CD PRO A 5 -4.852 -10.232 0.001 1.00 0.00 C ATOM 0 HA PRO A 5 -2.417 -10.423 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.711 -7.896 1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.206 -9.224 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.025 -8.084 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.204 -8.490 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.941 -10.261 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.502 -10.837 -0.835 1.00 0.00 H new ATOM 108 N LYS A 6 -2.828 -8.955 3.991 1.00 0.00 N ATOM 109 CA LYS A 6 -2.991 -8.138 5.179 1.00 0.00 C ATOM 110 C LYS A 6 -2.486 -6.730 4.863 1.00 0.00 C ATOM 111 O LYS A 6 -1.280 -6.484 4.886 1.00 0.00 O ATOM 112 CB LYS A 6 -2.227 -8.773 6.346 1.00 0.00 C ATOM 113 CG LYS A 6 -2.594 -8.050 7.644 1.00 0.00 C ATOM 114 CD LYS A 6 -1.654 -8.465 8.781 1.00 0.00 C ATOM 115 CE LYS A 6 -1.993 -7.744 10.090 1.00 0.00 C ATOM 116 NZ LYS A 6 -3.294 -8.170 10.637 1.00 0.00 N ATOM 0 H LYS A 6 -1.916 -9.409 3.945 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.039 -8.075 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.474 -9.832 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.153 -8.708 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.537 -6.972 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.624 -8.280 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.719 -9.543 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.624 -8.244 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.211 -7.938 10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.008 -6.668 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.430 -7.749 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.057 -7.856 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.315 -9.207 10.716 1.00 0.00 H new ATOM 130 N ILE A 7 -3.419 -5.816 4.575 1.00 0.00 N ATOM 131 CA ILE A 7 -3.130 -4.433 4.234 1.00 0.00 C ATOM 132 C ILE A 7 -3.108 -3.596 5.515 1.00 0.00 C ATOM 133 O ILE A 7 -4.119 -3.527 6.213 1.00 0.00 O ATOM 134 CB ILE A 7 -4.174 -3.857 3.254 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.669 -4.833 2.170 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.556 -2.627 2.574 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.975 -5.541 2.552 1.00 0.00 C ATOM 0 H ILE A 7 -4.416 -6.030 4.575 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.158 -4.398 3.741 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.055 -3.618 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.817 -4.287 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.898 -5.581 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.274 -2.199 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.298 -1.885 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.656 -2.923 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.272 -6.215 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.825 -6.113 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.758 -4.799 2.712 1.00 0.00 H new ATOM 149 N GLN A 8 -1.981 -2.939 5.809 1.00 0.00 N ATOM 150 CA GLN A 8 -1.866 -1.932 6.850 1.00 0.00 C ATOM 151 C GLN A 8 -1.382 -0.639 6.192 1.00 0.00 C ATOM 152 O GLN A 8 -0.206 -0.523 5.851 1.00 0.00 O ATOM 153 CB GLN A 8 -0.913 -2.419 7.954 1.00 0.00 C ATOM 154 CG GLN A 8 0.043 -3.520 7.484 1.00 0.00 C ATOM 155 CD GLN A 8 1.153 -3.803 8.486 1.00 0.00 C ATOM 156 OE1 GLN A 8 1.850 -2.896 8.933 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.337 -5.081 8.813 1.00 0.00 N ATOM 0 H GLN A 8 -1.105 -3.103 5.312 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.827 -1.748 7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.331 -1.574 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.500 -2.791 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.522 -4.435 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.485 -3.229 6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.733 -5.801 8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.082 -5.340 9.460 1.00 0.00 H new ATOM 166 N VAL A 9 -2.296 0.322 6.001 1.00 0.00 N ATOM 167 CA VAL A 9 -1.986 1.612 5.401 1.00 0.00 C ATOM 168 C VAL A 9 -1.851 2.653 6.509 1.00 0.00 C ATOM 169 O VAL A 9 -2.859 3.131 7.028 1.00 0.00 O ATOM 170 CB VAL A 9 -3.047 2.030 4.370 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.483 3.205 3.561 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.416 0.885 3.423 1.00 0.00 C ATOM 0 H VAL A 9 -3.276 0.218 6.263 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.043 1.533 4.860 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.957 2.313 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.217 3.522 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.262 4.035 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.569 2.893 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.169 1.228 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.528 0.560 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.815 0.050 3.999 1.00 0.00 H new ATOM 182 N TYR A 10 -0.607 2.984 6.871 1.00 0.00 N ATOM 183 CA TYR A 10 -0.300 3.885 7.983 1.00 0.00 C ATOM 184 C TYR A 10 0.582 5.048 7.527 1.00 0.00 C ATOM 185 O TYR A 10 1.139 5.007 6.433 1.00 0.00 O ATOM 186 CB TYR A 10 0.365 3.094 9.117 1.00 0.00 C ATOM 187 CG TYR A 10 1.700 2.463 8.775 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.747 1.152 8.266 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.898 3.150 9.046 1.00 0.00 C ATOM 190 CE1 TYR A 10 2.983 0.524 8.047 1.00 0.00 C ATOM 191 CE2 TYR A 10 4.135 2.534 8.792 1.00 0.00 C ATOM 192 CZ TYR A 10 4.178 1.221 8.294 1.00 0.00 C ATOM 193 OH TYR A 10 5.383 0.635 8.046 1.00 0.00 O ATOM 0 H TYR A 10 0.222 2.629 6.394 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.230 4.316 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.505 3.760 9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.318 2.307 9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.830 0.628 8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.866 4.151 9.449 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.016 -0.494 7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.053 3.070 8.980 1.00 0.00 H new ATOM 0 HH TYR A 10 5.307 -0.334 8.170 1.00 0.00 H new ATOM 203 N SER A 11 0.736 6.065 8.387 1.00 0.00 N ATOM 204 CA SER A 11 1.682 7.160 8.211 1.00 0.00 C ATOM 205 C SER A 11 2.730 7.114 9.325 1.00 0.00 C ATOM 206 O SER A 11 2.393 6.870 10.482 1.00 0.00 O ATOM 207 CB SER A 11 0.946 8.503 8.197 1.00 0.00 C ATOM 208 OG SER A 11 1.852 9.582 8.259 1.00 0.00 O ATOM 0 H SER A 11 0.189 6.144 9.244 1.00 0.00 H new ATOM 0 HA SER A 11 2.190 7.051 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.344 8.582 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.259 8.553 9.042 1.00 0.00 H new ATOM 0 HG SER A 11 1.965 9.861 9.192 1.00 0.00 H new ATOM 214 N ARG A 12 3.997 7.362 8.970 1.00 0.00 N ATOM 215 CA ARG A 12 5.098 7.472 9.917 1.00 0.00 C ATOM 216 C ARG A 12 5.067 8.847 10.585 1.00 0.00 C ATOM 217 O ARG A 12 4.897 8.954 11.798 1.00 0.00 O ATOM 218 CB ARG A 12 6.436 7.290 9.189 1.00 0.00 C ATOM 219 CG ARG A 12 6.694 5.852 8.735 1.00 0.00 C ATOM 220 CD ARG A 12 7.982 5.825 7.904 1.00 0.00 C ATOM 221 NE ARG A 12 8.437 4.452 7.660 1.00 0.00 N ATOM 222 CZ ARG A 12 9.390 4.099 6.779 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.976 5.015 5.993 1.00 0.00 N ATOM 224 NH2 ARG A 12 9.754 2.813 6.686 1.00 0.00 N ATOM 0 H ARG A 12 4.284 7.493 8.000 1.00 0.00 H new ATOM 0 HA ARG A 12 4.992 6.695 10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.459 7.947 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.245 7.605 9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.787 5.194 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.855 5.486 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.812 6.328 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.763 6.381 8.423 1.00 0.00 H new ATOM 0 HE ARG A 12 7.997 3.707 8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.700 5.995 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.697 4.732 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.309 2.113 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.476 2.534 6.021 1.00 0.00 H new ATOM 238 N HIS A 13 5.282 9.892 9.780 1.00 0.00 N ATOM 239 CA HIS A 13 5.494 11.260 10.234 1.00 0.00 C ATOM 240 C HIS A 13 4.154 11.891 10.641 1.00 0.00 C ATOM 241 O HIS A 13 3.102 11.411 10.221 1.00 0.00 O ATOM 242 CB HIS A 13 6.191 12.034 9.104 1.00 0.00 C ATOM 243 CG HIS A 13 7.629 11.646 8.859 1.00 0.00 C ATOM 244 ND1 HIS A 13 8.093 10.341 9.035 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.660 12.419 8.395 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.381 10.383 8.686 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.771 11.607 8.295 1.00 0.00 N ATOM 0 H HIS A 13 5.313 9.801 8.765 1.00 0.00 H new ATOM 0 HA HIS A 13 6.132 11.288 11.118 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.628 11.887 8.182 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.152 13.099 9.335 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.612 13.470 8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.038 9.526 8.715 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.703 11.882 7.986 1.00 0.00 H new ATOM 255 N PRO A 14 4.155 12.948 11.473 1.00 0.00 N ATOM 256 CA PRO A 14 2.932 13.563 11.965 1.00 0.00 C ATOM 257 C PRO A 14 2.280 14.364 10.834 1.00 0.00 C ATOM 258 O PRO A 14 2.831 15.372 10.397 1.00 0.00 O ATOM 259 CB PRO A 14 3.365 14.435 13.146 1.00 0.00 C ATOM 260 CG PRO A 14 4.802 14.821 12.797 1.00 0.00 C ATOM 261 CD PRO A 14 5.325 13.591 12.052 1.00 0.00 C ATOM 0 HA PRO A 14 2.182 12.843 12.293 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.728 15.313 13.251 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.314 13.889 14.088 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.839 15.715 12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.391 15.031 13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.037 13.877 11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.846 12.916 12.731 1.00 0.00 H new ATOM 269 N ALA A 15 1.142 13.873 10.325 1.00 0.00 N ATOM 270 CA ALA A 15 0.495 14.383 9.121 1.00 0.00 C ATOM 271 C ALA A 15 0.160 15.874 9.241 1.00 0.00 C ATOM 272 O ALA A 15 -0.389 16.304 10.254 1.00 0.00 O ATOM 273 CB ALA A 15 -0.762 13.559 8.833 1.00 0.00 C ATOM 0 H ALA A 15 0.640 13.094 10.752 1.00 0.00 H new ATOM 0 HA ALA A 15 1.190 14.284 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.247 13.938 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.486 12.515 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.449 13.636 9.676 1.00 0.00 H new ATOM 279 N GLU A 16 0.502 16.654 8.206 1.00 0.00 N ATOM 280 CA GLU A 16 0.320 18.100 8.171 1.00 0.00 C ATOM 281 C GLU A 16 0.240 18.564 6.713 1.00 0.00 C ATOM 282 O GLU A 16 1.035 18.134 5.878 1.00 0.00 O ATOM 283 CB GLU A 16 1.476 18.774 8.923 1.00 0.00 C ATOM 284 CG GLU A 16 1.415 20.305 8.835 1.00 0.00 C ATOM 285 CD GLU A 16 2.518 20.973 9.652 1.00 0.00 C ATOM 286 OE1 GLU A 16 3.647 20.435 9.642 1.00 0.00 O ATOM 287 OE2 GLU A 16 2.215 22.021 10.262 1.00 0.00 O ATOM 0 H GLU A 16 0.922 16.282 7.354 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.610 18.382 8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.451 18.471 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.424 18.426 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.501 20.611 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.443 20.649 9.189 1.00 0.00 H new ATOM 294 N ASN A 17 -0.736 19.433 6.417 1.00 0.00 N ATOM 295 CA ASN A 17 -1.136 19.821 5.073 1.00 0.00 C ATOM 296 C ASN A 17 -0.142 20.810 4.459 1.00 0.00 C ATOM 297 O ASN A 17 -0.342 22.021 4.532 1.00 0.00 O ATOM 298 CB ASN A 17 -2.558 20.403 5.117 1.00 0.00 C ATOM 299 CG ASN A 17 -3.636 19.399 5.543 1.00 0.00 C ATOM 300 OD1 ASN A 17 -3.357 18.402 6.206 1.00 0.00 O ATOM 301 ND2 ASN A 17 -4.887 19.668 5.165 1.00 0.00 N ATOM 0 H ASN A 17 -1.285 19.898 7.140 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.135 18.939 4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.572 21.248 5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.810 20.792 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.645 19.038 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.085 20.504 4.615 1.00 0.00 H new ATOM 308 N GLY A 18 0.911 20.278 3.826 1.00 0.00 N ATOM 309 CA GLY A 18 1.936 21.047 3.132 1.00 0.00 C ATOM 310 C GLY A 18 3.327 20.520 3.476 1.00 0.00 C ATOM 311 O GLY A 18 4.189 20.409 2.605 1.00 0.00 O ATOM 0 H GLY A 18 1.072 19.272 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.775 20.989 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.860 22.098 3.410 1.00 0.00 H new ATOM 315 N LYS A 19 3.537 20.186 4.754 1.00 0.00 N ATOM 316 CA LYS A 19 4.779 19.623 5.258 1.00 0.00 C ATOM 317 C LYS A 19 4.842 18.143 4.919 1.00 0.00 C ATOM 318 O LYS A 19 4.397 17.273 5.667 1.00 0.00 O ATOM 319 CB LYS A 19 4.860 19.850 6.752 1.00 0.00 C ATOM 320 CG LYS A 19 6.122 19.355 7.480 1.00 0.00 C ATOM 321 CD LYS A 19 7.443 19.960 6.981 1.00 0.00 C ATOM 322 CE LYS A 19 8.166 19.005 6.022 1.00 0.00 C ATOM 323 NZ LYS A 19 9.380 19.611 5.452 1.00 0.00 N ATOM 0 H LYS A 19 2.828 20.305 5.477 1.00 0.00 H new ATOM 0 HA LYS A 19 5.632 20.114 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.765 20.920 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.996 19.370 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.019 19.574 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.177 18.271 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.245 20.905 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.088 20.182 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.432 18.091 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.490 18.720 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.838 18.933 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.124 20.469 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.037 19.859 6.219 1.00 0.00 H new ATOM 337 N SER A 20 5.428 17.931 3.749 1.00 0.00 N ATOM 338 CA SER A 20 5.707 16.647 3.121 1.00 0.00 C ATOM 339 C SER A 20 6.131 15.611 4.157 1.00 0.00 C ATOM 340 O SER A 20 7.004 15.867 4.987 1.00 0.00 O ATOM 341 CB SER A 20 6.801 16.799 2.066 1.00 0.00 C ATOM 342 OG SER A 20 7.935 17.449 2.608 1.00 0.00 O ATOM 0 H SER A 20 5.744 18.710 3.171 1.00 0.00 H new ATOM 0 HA SER A 20 4.791 16.302 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.086 15.818 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.419 17.370 1.219 1.00 0.00 H new ATOM 0 HG SER A 20 8.121 17.092 3.501 1.00 0.00 H new ATOM 348 N ASN A 21 5.450 14.470 4.115 1.00 0.00 N ATOM 349 CA ASN A 21 5.310 13.563 5.243 1.00 0.00 C ATOM 350 C ASN A 21 5.848 12.176 4.862 1.00 0.00 C ATOM 351 O ASN A 21 6.833 12.103 4.130 1.00 0.00 O ATOM 352 CB ASN A 21 3.829 13.598 5.641 1.00 0.00 C ATOM 353 CG ASN A 21 3.618 13.224 7.097 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.219 12.105 7.403 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.898 14.170 7.993 1.00 0.00 N ATOM 0 H ASN A 21 4.970 14.145 3.275 1.00 0.00 H new ATOM 0 HA ASN A 21 5.900 13.855 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.430 14.597 5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.268 12.912 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.783 13.980 8.988 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.227 15.084 7.683 1.00 0.00 H new ATOM 362 N PHE A 22 5.233 11.079 5.334 1.00 0.00 N ATOM 363 CA PHE A 22 5.615 9.728 4.924 1.00 0.00 C ATOM 364 C PHE A 22 4.468 8.736 5.122 1.00 0.00 C ATOM 365 O PHE A 22 4.064 8.464 6.252 1.00 0.00 O ATOM 366 CB PHE A 22 6.864 9.242 5.675 1.00 0.00 C ATOM 367 CG PHE A 22 8.105 9.146 4.816 1.00 0.00 C ATOM 368 CD1 PHE A 22 8.167 8.180 3.794 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.175 10.039 5.002 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.277 8.135 2.933 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.299 9.974 4.161 1.00 0.00 C ATOM 372 CZ PHE A 22 10.329 9.052 3.100 1.00 0.00 C ATOM 0 H PHE A 22 4.465 11.108 6.004 1.00 0.00 H new ATOM 0 HA PHE A 22 5.850 9.777 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.062 9.920 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.657 8.262 6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.360 7.472 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.133 10.775 5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.321 7.398 2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.139 10.632 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.162 9.048 2.412 1.00 0.00 H new ATOM 382 N LEU A 23 3.970 8.203 4.001 1.00 0.00 N ATOM 383 CA LEU A 23 2.884 7.242 3.888 1.00 0.00 C ATOM 384 C LEU A 23 3.480 5.874 3.587 1.00 0.00 C ATOM 385 O LEU A 23 4.435 5.786 2.820 1.00 0.00 O ATOM 386 CB LEU A 23 1.976 7.686 2.739 1.00 0.00 C ATOM 387 CG LEU A 23 0.822 6.748 2.393 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.184 6.708 3.543 1.00 0.00 C ATOM 389 CD2 LEU A 23 0.126 7.321 1.156 1.00 0.00 C ATOM 0 H LEU A 23 4.347 8.454 3.087 1.00 0.00 H new ATOM 0 HA LEU A 23 2.307 7.187 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.561 8.663 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.590 7.818 1.848 1.00 0.00 H new ATOM 0 HG LEU A 23 1.196 5.740 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.003 6.036 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.310 6.350 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.577 7.710 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.707 6.677 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.247 8.321 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.836 7.374 0.331 1.00 0.00 H new ATOM 401 N ASN A 24 2.906 4.824 4.183 1.00 0.00 N ATOM 402 CA ASN A 24 3.355 3.445 4.068 1.00 0.00 C ATOM 403 C ASN A 24 2.157 2.539 3.782 1.00 0.00 C ATOM 404 O ASN A 24 1.446 2.159 4.712 1.00 0.00 O ATOM 405 CB ASN A 24 4.003 3.005 5.385 1.00 0.00 C ATOM 406 CG ASN A 24 5.419 3.534 5.609 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.740 4.677 5.290 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.285 2.690 6.170 1.00 0.00 N ATOM 0 H ASN A 24 2.085 4.922 4.780 1.00 0.00 H new ATOM 0 HA ASN A 24 4.078 3.371 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.373 3.333 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.028 1.916 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.245 2.986 6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.988 1.748 6.423 1.00 0.00 H new ATOM 415 N CYS A 25 1.969 2.144 2.516 1.00 0.00 N ATOM 416 CA CYS A 25 1.051 1.066 2.163 1.00 0.00 C ATOM 417 C CYS A 25 1.808 -0.248 2.359 1.00 0.00 C ATOM 418 O CYS A 25 2.402 -0.776 1.421 1.00 0.00 O ATOM 419 CB CYS A 25 0.553 1.189 0.711 1.00 0.00 C ATOM 420 SG CYS A 25 -0.366 2.693 0.272 1.00 0.00 S ATOM 0 H CYS A 25 2.447 2.562 1.718 1.00 0.00 H new ATOM 0 HA CYS A 25 0.165 1.111 2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.417 1.116 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.084 0.330 0.499 1.00 0.00 H new ATOM 425 N TYR A 26 1.821 -0.761 3.591 1.00 0.00 N ATOM 426 CA TYR A 26 2.455 -2.027 3.922 1.00 0.00 C ATOM 427 C TYR A 26 1.465 -3.140 3.581 1.00 0.00 C ATOM 428 O TYR A 26 0.300 -3.047 3.968 1.00 0.00 O ATOM 429 CB TYR A 26 2.859 -1.971 5.404 1.00 0.00 C ATOM 430 CG TYR A 26 3.622 -3.153 5.990 1.00 0.00 C ATOM 431 CD1 TYR A 26 3.069 -4.449 6.000 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.797 -2.909 6.728 1.00 0.00 C ATOM 433 CE1 TYR A 26 3.701 -5.483 6.708 1.00 0.00 C ATOM 434 CE2 TYR A 26 5.437 -3.946 7.423 1.00 0.00 C ATOM 435 CZ TYR A 26 4.890 -5.237 7.413 1.00 0.00 C ATOM 436 OH TYR A 26 5.505 -6.246 8.094 1.00 0.00 O ATOM 0 H TYR A 26 1.386 -0.301 4.390 1.00 0.00 H new ATOM 0 HA TYR A 26 3.364 -2.225 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.467 -1.078 5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.951 -1.837 5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.155 -4.648 5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.210 -1.912 6.759 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.270 -6.473 6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.350 -3.750 7.965 1.00 0.00 H new ATOM 0 HH TYR A 26 6.316 -5.903 8.525 1.00 0.00 H new ATOM 446 N VAL A 27 1.908 -4.186 2.862 1.00 0.00 N ATOM 447 CA VAL A 27 1.070 -5.343 2.559 1.00 0.00 C ATOM 448 C VAL A 27 1.883 -6.607 2.793 1.00 0.00 C ATOM 449 O VAL A 27 2.987 -6.720 2.264 1.00 0.00 O ATOM 450 CB VAL A 27 0.571 -5.336 1.102 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.659 -6.239 0.990 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.186 -3.947 0.617 1.00 0.00 C ATOM 0 H VAL A 27 2.852 -4.247 2.480 1.00 0.00 H new ATOM 0 HA VAL A 27 0.197 -5.305 3.210 1.00 0.00 H new ATOM 0 HB VAL A 27 1.393 -5.693 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.018 -6.239 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.392 -7.255 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.444 -5.867 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.158 -4.005 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.613 -3.551 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.053 -3.288 0.675 1.00 0.00 H new ATOM 462 N SER A 28 1.343 -7.573 3.546 1.00 0.00 N ATOM 463 CA SER A 28 2.049 -8.830 3.720 1.00 0.00 C ATOM 464 C SER A 28 1.121 -10.016 3.975 1.00 0.00 C ATOM 465 O SER A 28 -0.099 -9.867 3.983 1.00 0.00 O ATOM 466 CB SER A 28 3.121 -8.669 4.811 1.00 0.00 C ATOM 467 OG SER A 28 2.526 -8.716 6.091 1.00 0.00 O ATOM 0 H SER A 28 0.447 -7.506 4.028 1.00 0.00 H new ATOM 0 HA SER A 28 2.543 -9.071 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.865 -9.460 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.644 -7.722 4.680 1.00 0.00 H new ATOM 0 HG SER A 28 3.218 -8.614 6.777 1.00 0.00 H new ATOM 473 N GLY A 29 1.712 -11.207 4.149 1.00 0.00 N ATOM 474 CA GLY A 29 1.000 -12.442 4.451 1.00 0.00 C ATOM 475 C GLY A 29 0.579 -13.217 3.199 1.00 0.00 C ATOM 476 O GLY A 29 0.401 -14.432 3.266 1.00 0.00 O ATOM 0 H GLY A 29 2.722 -11.334 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.635 -13.078 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.114 -12.208 5.041 1.00 0.00 H new ATOM 480 N PHE A 30 0.401 -12.523 2.068 1.00 0.00 N ATOM 481 CA PHE A 30 -0.137 -13.090 0.839 1.00 0.00 C ATOM 482 C PHE A 30 0.868 -14.016 0.145 1.00 0.00 C ATOM 483 O PHE A 30 2.029 -14.061 0.529 1.00 0.00 O ATOM 484 CB PHE A 30 -0.604 -11.947 -0.072 1.00 0.00 C ATOM 485 CG PHE A 30 0.479 -10.989 -0.538 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.229 -11.315 -1.681 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.674 -9.739 0.086 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.186 -10.428 -2.186 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.643 -8.853 -0.415 1.00 0.00 C ATOM 490 CZ PHE A 30 2.410 -9.209 -1.539 1.00 0.00 C ATOM 0 H PHE A 30 0.633 -11.533 1.987 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.993 -13.720 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.082 -12.380 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.366 -11.375 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.065 -12.261 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.081 -9.464 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.749 -10.684 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.799 -7.898 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.174 -8.539 -1.903 1.00 0.00 H new ATOM 500 N HIS A 31 0.406 -14.744 -0.879 1.00 0.00 N ATOM 501 CA HIS A 31 1.187 -15.481 -1.876 1.00 0.00 C ATOM 502 C HIS A 31 0.175 -15.854 -2.974 1.00 0.00 C ATOM 503 O HIS A 31 -0.998 -16.041 -2.645 1.00 0.00 O ATOM 504 CB HIS A 31 1.937 -16.686 -1.269 1.00 0.00 C ATOM 505 CG HIS A 31 1.212 -18.002 -1.211 1.00 0.00 C ATOM 506 ND1 HIS A 31 1.117 -18.719 -0.021 1.00 0.00 N ATOM 507 CD2 HIS A 31 0.742 -18.785 -2.231 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.567 -19.884 -0.362 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.308 -19.969 -1.676 1.00 0.00 N ATOM 0 H HIS A 31 -0.596 -14.839 -1.043 1.00 0.00 H new ATOM 0 HA HIS A 31 1.998 -14.882 -2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.854 -16.833 -1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.233 -16.421 -0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.716 -18.523 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.353 -20.674 0.343 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.124 -20.753 -2.166 1.00 0.00 H new ATOM 517 N PRO A 32 0.550 -15.955 -4.261 1.00 0.00 N ATOM 518 CA PRO A 32 1.902 -15.940 -4.803 1.00 0.00 C ATOM 519 C PRO A 32 2.423 -14.507 -5.009 1.00 0.00 C ATOM 520 O PRO A 32 1.900 -13.560 -4.422 1.00 0.00 O ATOM 521 CB PRO A 32 1.783 -16.741 -6.108 1.00 0.00 C ATOM 522 CG PRO A 32 0.398 -16.344 -6.605 1.00 0.00 C ATOM 523 CD PRO A 32 -0.401 -16.301 -5.306 1.00 0.00 C ATOM 0 HA PRO A 32 2.637 -16.380 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.563 -16.475 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.861 -17.814 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.407 -15.379 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.007 -17.070 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.202 -15.564 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.869 -17.264 -5.104 1.00 0.00 H new ATOM 531 N SER A 33 3.475 -14.363 -5.826 1.00 0.00 N ATOM 532 CA SER A 33 4.327 -13.184 -5.933 1.00 0.00 C ATOM 533 C SER A 33 3.707 -12.030 -6.740 1.00 0.00 C ATOM 534 O SER A 33 4.455 -11.209 -7.269 1.00 0.00 O ATOM 535 CB SER A 33 5.634 -13.628 -6.608 1.00 0.00 C ATOM 536 OG SER A 33 5.379 -14.036 -7.936 1.00 0.00 O ATOM 0 H SER A 33 3.765 -15.107 -6.460 1.00 0.00 H new ATOM 0 HA SER A 33 4.481 -12.792 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.352 -12.808 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.082 -14.448 -6.047 1.00 0.00 H new ATOM 0 HG SER A 33 6.218 -14.316 -8.359 1.00 0.00 H new ATOM 542 N ASP A 34 2.376 -11.983 -6.892 1.00 0.00 N ATOM 543 CA ASP A 34 1.717 -11.175 -7.914 1.00 0.00 C ATOM 544 C ASP A 34 0.674 -10.235 -7.301 1.00 0.00 C ATOM 545 O ASP A 34 -0.504 -10.580 -7.222 1.00 0.00 O ATOM 546 CB ASP A 34 1.106 -12.125 -8.957 1.00 0.00 C ATOM 547 CG ASP A 34 0.410 -11.405 -10.114 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.639 -10.186 -10.271 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.335 -12.103 -10.836 1.00 0.00 O ATOM 0 H ASP A 34 1.728 -12.508 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 34 2.445 -10.528 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.893 -12.763 -9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.387 -12.779 -8.463 1.00 0.00 H new ATOM 554 N ILE A 35 1.110 -9.035 -6.892 1.00 0.00 N ATOM 555 CA ILE A 35 0.234 -7.941 -6.474 1.00 0.00 C ATOM 556 C ILE A 35 0.636 -6.630 -7.145 1.00 0.00 C ATOM 557 O ILE A 35 1.811 -6.405 -7.432 1.00 0.00 O ATOM 558 CB ILE A 35 0.220 -7.836 -4.939 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.780 -6.828 -4.354 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.586 -7.495 -4.382 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.896 -6.992 -2.834 1.00 0.00 C ATOM 0 H ILE A 35 2.101 -8.797 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.784 -8.155 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.099 -8.833 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.460 -5.813 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.758 -6.970 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.530 -7.431 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.298 -8.271 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.915 -6.537 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.610 -6.267 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.239 -8.000 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.078 -6.825 -2.375 1.00 0.00 H new ATOM 573 N GLU A 36 -0.361 -5.766 -7.354 1.00 0.00 N ATOM 574 CA GLU A 36 -0.208 -4.397 -7.810 1.00 0.00 C ATOM 575 C GLU A 36 -0.607 -3.467 -6.675 1.00 0.00 C ATOM 576 O GLU A 36 -1.700 -3.628 -6.130 1.00 0.00 O ATOM 577 CB GLU A 36 -1.127 -4.109 -8.993 1.00 0.00 C ATOM 578 CG GLU A 36 -1.037 -5.193 -10.060 1.00 0.00 C ATOM 579 CD GLU A 36 -1.587 -4.699 -11.397 1.00 0.00 C ATOM 580 OE1 GLU A 36 -2.579 -3.933 -11.357 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.012 -5.093 -12.433 1.00 0.00 O ATOM 0 H GLU A 36 -1.337 -6.021 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 36 0.827 -4.244 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.156 -4.029 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.864 -3.146 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.001 -5.501 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.594 -6.072 -9.737 1.00 0.00 H new ATOM 588 N VAL A 37 0.253 -2.497 -6.343 1.00 0.00 N ATOM 589 CA VAL A 37 -0.042 -1.463 -5.361 1.00 0.00 C ATOM 590 C VAL A 37 0.518 -0.137 -5.876 1.00 0.00 C ATOM 591 O VAL A 37 1.580 0.302 -5.439 1.00 0.00 O ATOM 592 CB VAL A 37 0.489 -1.860 -3.969 1.00 0.00 C ATOM 593 CG1 VAL A 37 -0.031 -0.932 -2.863 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.061 -3.287 -3.610 1.00 0.00 C ATOM 0 H VAL A 37 1.182 -2.413 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.118 -1.345 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 37 1.575 -1.782 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.370 -1.252 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.287 0.091 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.120 -0.975 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.447 -3.545 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.027 -3.349 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.458 -3.983 -4.349 1.00 0.00 H new ATOM 604 N ASP A 38 -0.209 0.501 -6.805 1.00 0.00 N ATOM 605 CA ASP A 38 0.018 1.891 -7.178 1.00 0.00 C ATOM 606 C ASP A 38 -0.687 2.774 -6.152 1.00 0.00 C ATOM 607 O ASP A 38 -1.879 2.611 -5.891 1.00 0.00 O ATOM 608 CB ASP A 38 -0.458 2.207 -8.607 1.00 0.00 C ATOM 609 CG ASP A 38 -1.895 1.779 -8.878 1.00 0.00 C ATOM 610 OD1 ASP A 38 -2.119 0.549 -8.929 1.00 0.00 O ATOM 611 OD2 ASP A 38 -2.740 2.684 -9.044 1.00 0.00 O ATOM 0 H ASP A 38 -0.973 0.059 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 38 1.090 2.088 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.367 3.279 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.201 1.710 -9.319 1.00 0.00 H new ATOM 616 N LEU A 39 0.071 3.694 -5.551 1.00 0.00 N ATOM 617 CA LEU A 39 -0.432 4.624 -4.566 1.00 0.00 C ATOM 618 C LEU A 39 -1.104 5.765 -5.318 1.00 0.00 C ATOM 619 O LEU A 39 -0.584 6.245 -6.326 1.00 0.00 O ATOM 620 CB LEU A 39 0.703 5.087 -3.650 1.00 0.00 C ATOM 621 CG LEU A 39 1.167 3.967 -2.708 1.00 0.00 C ATOM 622 CD1 LEU A 39 1.845 2.785 -3.403 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.106 4.534 -1.641 1.00 0.00 C ATOM 0 H LEU A 39 1.066 3.807 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.169 4.160 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.544 5.425 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.370 5.942 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 39 0.255 3.572 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.138 2.045 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.151 2.332 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.730 3.135 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.430 3.732 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.976 4.980 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.582 5.294 -1.062 1.00 0.00 H new ATOM 635 N LEU A 40 -2.313 6.109 -4.870 1.00 0.00 N ATOM 636 CA LEU A 40 -3.326 6.729 -5.699 1.00 0.00 C ATOM 637 C LEU A 40 -4.098 7.704 -4.815 1.00 0.00 C ATOM 638 O LEU A 40 -4.697 7.279 -3.828 1.00 0.00 O ATOM 639 CB LEU A 40 -4.220 5.601 -6.241 1.00 0.00 C ATOM 640 CG LEU A 40 -4.978 5.887 -7.545 1.00 0.00 C ATOM 641 CD1 LEU A 40 -5.902 7.103 -7.444 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.016 6.047 -8.724 1.00 0.00 C ATOM 0 H LEU A 40 -2.612 5.959 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.916 7.282 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.599 4.719 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.950 5.346 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.611 5.017 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.410 7.254 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.642 6.934 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.314 7.988 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.584 6.249 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.337 6.877 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.441 5.130 -8.852 1.00 0.00 H new ATOM 654 N LYS A 41 -4.061 9.004 -5.134 1.00 0.00 N ATOM 655 CA LYS A 41 -4.736 10.010 -4.325 1.00 0.00 C ATOM 656 C LYS A 41 -6.225 10.105 -4.683 1.00 0.00 C ATOM 657 O LYS A 41 -6.892 9.086 -4.851 1.00 0.00 O ATOM 658 CB LYS A 41 -3.995 11.343 -4.446 1.00 0.00 C ATOM 659 CG LYS A 41 -2.538 11.219 -4.007 1.00 0.00 C ATOM 660 CD LYS A 41 -1.566 11.653 -5.105 1.00 0.00 C ATOM 661 CE LYS A 41 -1.687 13.120 -5.534 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.474 14.062 -4.424 1.00 0.00 N ATOM 0 H LYS A 41 -3.570 9.377 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.709 9.717 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.036 11.690 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.496 12.095 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.375 11.828 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.331 10.186 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.548 11.474 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.722 11.020 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.961 13.324 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.676 13.288 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.601 15.036 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.161 13.868 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.509 13.949 -4.053 1.00 0.00 H new ATOM 676 N ASN A 42 -6.739 11.333 -4.816 1.00 0.00 N ATOM 677 CA ASN A 42 -8.080 11.621 -5.305 1.00 0.00 C ATOM 678 C ASN A 42 -8.290 11.034 -6.707 1.00 0.00 C ATOM 679 O ASN A 42 -9.359 10.502 -6.999 1.00 0.00 O ATOM 680 CB ASN A 42 -8.327 13.139 -5.278 1.00 0.00 C ATOM 681 CG ASN A 42 -7.629 13.864 -6.432 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.276 14.241 -7.405 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.306 14.030 -6.356 1.00 0.00 N ATOM 0 H ASN A 42 -6.213 12.174 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.809 11.145 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.399 13.331 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.973 13.545 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.804 14.481 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.798 13.705 -5.533 1.00 0.00 H new ATOM 690 N GLY A 43 -7.268 11.121 -7.566 1.00 0.00 N ATOM 691 CA GLY A 43 -7.310 10.595 -8.919 1.00 0.00 C ATOM 692 C GLY A 43 -5.997 10.857 -9.653 1.00 0.00 C ATOM 693 O GLY A 43 -6.015 11.180 -10.840 1.00 0.00 O ATOM 0 H GLY A 43 -6.381 11.566 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.506 9.523 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.133 11.055 -9.466 1.00 0.00 H new ATOM 697 N GLU A 44 -4.865 10.709 -8.951 1.00 0.00 N ATOM 698 CA GLU A 44 -3.532 10.852 -9.516 1.00 0.00 C ATOM 699 C GLU A 44 -2.623 9.755 -8.958 1.00 0.00 C ATOM 700 O GLU A 44 -2.632 9.495 -7.755 1.00 0.00 O ATOM 701 CB GLU A 44 -3.002 12.257 -9.209 1.00 0.00 C ATOM 702 CG GLU A 44 -1.613 12.483 -9.816 1.00 0.00 C ATOM 703 CD GLU A 44 -1.188 13.942 -9.697 1.00 0.00 C ATOM 704 OE1 GLU A 44 -0.840 14.343 -8.565 1.00 0.00 O ATOM 705 OE2 GLU A 44 -1.226 14.633 -10.738 1.00 0.00 O ATOM 0 H GLU A 44 -4.859 10.482 -7.957 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.559 10.737 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.696 13.001 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.955 12.401 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.885 11.848 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.620 12.188 -10.865 1.00 0.00 H new ATOM 712 N ARG A 45 -1.848 9.119 -9.846 1.00 0.00 N ATOM 713 CA ARG A 45 -0.877 8.084 -9.513 1.00 0.00 C ATOM 714 C ARG A 45 0.404 8.744 -9.009 1.00 0.00 C ATOM 715 O ARG A 45 0.821 9.772 -9.540 1.00 0.00 O ATOM 716 CB ARG A 45 -0.544 7.253 -10.760 1.00 0.00 C ATOM 717 CG ARG A 45 -1.764 6.571 -11.389 1.00 0.00 C ATOM 718 CD ARG A 45 -1.351 5.904 -12.705 1.00 0.00 C ATOM 719 NE ARG A 45 -2.514 5.464 -13.489 1.00 0.00 N ATOM 720 CZ ARG A 45 -3.268 6.258 -14.269 1.00 0.00 C ATOM 721 NH1 ARG A 45 -3.085 7.587 -14.285 1.00 0.00 N ATOM 722 NH2 ARG A 45 -4.215 5.714 -15.045 1.00 0.00 N ATOM 0 H ARG A 45 -1.885 9.321 -10.845 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.298 7.435 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.077 7.900 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.190 6.492 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.172 5.828 -10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.551 7.303 -11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.759 6.603 -13.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.712 5.047 -12.492 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.769 4.478 -13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.365 8.010 -13.699 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.666 8.175 -14.883 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.360 4.704 -15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.791 6.310 -15.640 1.00 0.00 H new ATOM 736 N ILE A 46 1.039 8.141 -8.001 1.00 0.00 N ATOM 737 CA ILE A 46 2.253 8.628 -7.403 1.00 0.00 C ATOM 738 C ILE A 46 3.418 7.919 -8.092 1.00 0.00 C ATOM 739 O ILE A 46 3.496 6.692 -8.078 1.00 0.00 O ATOM 740 CB ILE A 46 2.131 8.342 -5.904 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.006 9.228 -5.337 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.447 8.640 -5.207 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.711 9.003 -3.855 1.00 0.00 C ATOM 0 H ILE A 46 0.701 7.277 -7.577 1.00 0.00 H new ATOM 0 HA ILE A 46 2.427 9.697 -7.524 1.00 0.00 H new ATOM 0 HB ILE A 46 1.894 7.291 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.274 10.274 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.095 9.047 -5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.349 8.433 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.232 8.012 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.705 9.689 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.093 9.667 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.410 7.967 -3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.606 9.213 -3.270 1.00 0.00 H new ATOM 755 N GLU A 47 4.311 8.700 -8.709 1.00 0.00 N ATOM 756 CA GLU A 47 5.500 8.190 -9.377 1.00 0.00 C ATOM 757 C GLU A 47 6.529 7.737 -8.343 1.00 0.00 C ATOM 758 O GLU A 47 7.086 6.645 -8.452 1.00 0.00 O ATOM 759 CB GLU A 47 6.116 9.269 -10.279 1.00 0.00 C ATOM 760 CG GLU A 47 5.198 9.679 -11.437 1.00 0.00 C ATOM 761 CD GLU A 47 5.928 10.591 -12.421 1.00 0.00 C ATOM 762 OE1 GLU A 47 6.520 11.585 -11.945 1.00 0.00 O ATOM 763 OE2 GLU A 47 5.885 10.275 -13.630 1.00 0.00 O ATOM 0 H GLU A 47 4.222 9.715 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 47 5.210 7.339 -9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.348 10.148 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.059 8.902 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.843 8.789 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.319 10.191 -11.045 1.00 0.00 H new ATOM 770 N LYS A 48 6.796 8.599 -7.354 1.00 0.00 N ATOM 771 CA LYS A 48 7.873 8.434 -6.392 1.00 0.00 C ATOM 772 C LYS A 48 7.436 7.507 -5.254 1.00 0.00 C ATOM 773 O LYS A 48 7.273 7.932 -4.110 1.00 0.00 O ATOM 774 CB LYS A 48 8.341 9.815 -5.910 1.00 0.00 C ATOM 775 CG LYS A 48 8.821 10.661 -7.099 1.00 0.00 C ATOM 776 CD LYS A 48 9.389 12.004 -6.632 1.00 0.00 C ATOM 777 CE LYS A 48 9.839 12.833 -7.841 1.00 0.00 C ATOM 778 NZ LYS A 48 10.374 14.142 -7.427 1.00 0.00 N ATOM 0 H LYS A 48 6.251 9.448 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 48 8.730 7.950 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.525 10.325 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.149 9.701 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.584 10.114 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.991 10.833 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.634 12.551 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.232 11.838 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.601 12.286 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.997 12.980 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.669 14.678 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.638 14.673 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.193 14.000 -6.802 1.00 0.00 H new ATOM 792 N VAL A 49 7.268 6.225 -5.598 1.00 0.00 N ATOM 793 CA VAL A 49 7.016 5.123 -4.685 1.00 0.00 C ATOM 794 C VAL A 49 8.335 4.364 -4.547 1.00 0.00 C ATOM 795 O VAL A 49 8.777 3.742 -5.513 1.00 0.00 O ATOM 796 CB VAL A 49 5.911 4.215 -5.259 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.679 2.975 -4.386 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.591 4.982 -5.387 1.00 0.00 C ATOM 0 H VAL A 49 7.308 5.921 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 49 6.674 5.473 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 49 6.250 3.892 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.892 2.362 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.600 2.395 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.380 3.286 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.825 4.322 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.280 5.337 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.728 5.833 -6.054 1.00 0.00 H new ATOM 808 N GLU A 50 8.953 4.395 -3.359 1.00 0.00 N ATOM 809 CA GLU A 50 10.082 3.527 -3.055 1.00 0.00 C ATOM 810 C GLU A 50 9.507 2.240 -2.462 1.00 0.00 C ATOM 811 O GLU A 50 8.399 2.255 -1.921 1.00 0.00 O ATOM 812 CB GLU A 50 11.067 4.241 -2.119 1.00 0.00 C ATOM 813 CG GLU A 50 12.436 3.561 -2.099 1.00 0.00 C ATOM 814 CD GLU A 50 13.378 4.248 -1.117 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.169 4.053 0.100 1.00 0.00 O ATOM 816 OE2 GLU A 50 14.286 4.960 -1.597 1.00 0.00 O ATOM 0 H GLU A 50 8.684 5.016 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 50 10.658 3.279 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.182 5.277 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.658 4.261 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.320 2.513 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.870 3.582 -3.099 1.00 0.00 H new ATOM 823 N HIS A 51 10.229 1.121 -2.591 1.00 0.00 N ATOM 824 CA HIS A 51 9.753 -0.181 -2.155 1.00 0.00 C ATOM 825 C HIS A 51 10.792 -0.874 -1.275 1.00 0.00 C ATOM 826 O HIS A 51 11.992 -0.635 -1.413 1.00 0.00 O ATOM 827 CB HIS A 51 9.359 -1.015 -3.383 1.00 0.00 C ATOM 828 CG HIS A 51 10.440 -1.171 -4.427 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.260 -0.715 -5.734 1.00 0.00 N ATOM 830 CD2 HIS A 51 11.687 -1.731 -4.328 1.00 0.00 C ATOM 831 CE1 HIS A 51 11.397 -1.022 -6.367 1.00 0.00 C ATOM 832 NE2 HIS A 51 12.286 -1.628 -5.566 1.00 0.00 N ATOM 0 H HIS A 51 11.162 1.101 -3.003 1.00 0.00 H new ATOM 0 HA HIS A 51 8.864 -0.062 -1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.055 -2.006 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.488 -0.556 -3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.121 -2.172 -3.443 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.580 -0.806 -7.409 1.00 0.00 H new ATOM 0 HE2 HIS A 51 13.220 -1.949 -5.822 1.00 0.00 H new ATOM 840 N SER A 52 10.315 -1.753 -0.386 1.00 0.00 N ATOM 841 CA SER A 52 11.154 -2.681 0.365 1.00 0.00 C ATOM 842 C SER A 52 11.470 -3.946 -0.448 1.00 0.00 C ATOM 843 O SER A 52 12.187 -4.814 0.046 1.00 0.00 O ATOM 844 CB SER A 52 10.470 -3.032 1.692 1.00 0.00 C ATOM 845 OG SER A 52 11.331 -3.790 2.517 1.00 0.00 O ATOM 0 H SER A 52 9.322 -1.837 -0.169 1.00 0.00 H new ATOM 0 HA SER A 52 12.107 -2.195 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.177 -2.118 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.557 -3.595 1.498 1.00 0.00 H new ATOM 0 HG SER A 52 11.877 -4.384 1.961 1.00 0.00 H new ATOM 851 N ASP A 53 10.930 -4.057 -1.673 1.00 0.00 N ATOM 852 CA ASP A 53 11.082 -5.187 -2.581 1.00 0.00 C ATOM 853 C ASP A 53 10.336 -6.426 -2.070 1.00 0.00 C ATOM 854 O ASP A 53 9.915 -6.484 -0.914 1.00 0.00 O ATOM 855 CB ASP A 53 12.563 -5.454 -2.894 1.00 0.00 C ATOM 856 CG ASP A 53 12.726 -6.194 -4.216 1.00 0.00 C ATOM 857 OD1 ASP A 53 12.691 -5.504 -5.258 1.00 0.00 O ATOM 858 OD2 ASP A 53 12.858 -7.436 -4.164 1.00 0.00 O ATOM 0 H ASP A 53 10.348 -3.319 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 53 10.612 -4.927 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.104 -4.509 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.007 -6.041 -2.090 1.00 0.00 H new ATOM 863 N LEU A 54 10.133 -7.407 -2.956 1.00 0.00 N ATOM 864 CA LEU A 54 9.328 -8.584 -2.676 1.00 0.00 C ATOM 865 C LEU A 54 10.154 -9.646 -1.949 1.00 0.00 C ATOM 866 O LEU A 54 11.051 -10.251 -2.532 1.00 0.00 O ATOM 867 CB LEU A 54 8.672 -9.089 -3.960 1.00 0.00 C ATOM 868 CG LEU A 54 7.773 -10.308 -3.711 1.00 0.00 C ATOM 869 CD1 LEU A 54 6.827 -10.172 -2.512 1.00 0.00 C ATOM 870 CD2 LEU A 54 6.904 -10.536 -4.934 1.00 0.00 C ATOM 0 H LEU A 54 10.530 -7.399 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 54 8.518 -8.322 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.080 -8.288 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.445 -9.351 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 54 8.453 -11.133 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.232 -11.080 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.410 -10.020 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.166 -9.319 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.261 -11.400 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.288 -9.655 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.538 -10.717 -5.802 1.00 0.00 H new ATOM 882 N SER A 55 9.821 -9.867 -0.671 1.00 0.00 N ATOM 883 CA SER A 55 10.430 -10.844 0.215 1.00 0.00 C ATOM 884 C SER A 55 9.332 -11.675 0.870 1.00 0.00 C ATOM 885 O SER A 55 8.383 -11.118 1.413 1.00 0.00 O ATOM 886 CB SER A 55 11.226 -10.121 1.307 1.00 0.00 C ATOM 887 OG SER A 55 11.830 -11.060 2.172 1.00 0.00 O ATOM 0 H SER A 55 9.080 -9.337 -0.212 1.00 0.00 H new ATOM 0 HA SER A 55 11.097 -11.489 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.990 -9.490 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.566 -9.465 1.874 1.00 0.00 H new ATOM 0 HG SER A 55 12.337 -10.588 2.865 1.00 0.00 H new ATOM 893 N PHE A 56 9.493 -13.001 0.871 1.00 0.00 N ATOM 894 CA PHE A 56 8.666 -13.913 1.649 1.00 0.00 C ATOM 895 C PHE A 56 9.303 -14.222 3.006 1.00 0.00 C ATOM 896 O PHE A 56 8.987 -15.250 3.603 1.00 0.00 O ATOM 897 CB PHE A 56 8.413 -15.193 0.838 1.00 0.00 C ATOM 898 CG PHE A 56 9.638 -16.019 0.515 1.00 0.00 C ATOM 899 CD1 PHE A 56 10.478 -15.663 -0.555 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.941 -17.145 1.299 1.00 0.00 C ATOM 901 CE1 PHE A 56 11.681 -16.362 -0.763 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.131 -17.859 1.078 1.00 0.00 C ATOM 903 CZ PHE A 56 12.007 -17.458 0.055 1.00 0.00 C ATOM 0 H PHE A 56 10.212 -13.473 0.323 1.00 0.00 H new ATOM 0 HA PHE A 56 7.708 -13.435 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.712 -15.818 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.926 -14.918 -0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.200 -14.855 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.258 -17.462 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.354 -16.057 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.372 -18.714 1.693 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.932 -17.993 -0.103 1.00 0.00 H new ATOM 913 N SER A 57 10.245 -13.377 3.454 1.00 0.00 N ATOM 914 CA SER A 57 11.324 -13.793 4.338 1.00 0.00 C ATOM 915 C SER A 57 12.046 -14.969 3.664 1.00 0.00 C ATOM 916 O SER A 57 12.049 -15.070 2.438 1.00 0.00 O ATOM 917 CB SER A 57 10.791 -14.108 5.746 1.00 0.00 C ATOM 918 OG SER A 57 11.844 -14.358 6.653 1.00 0.00 O ATOM 0 H SER A 57 10.272 -12.387 3.208 1.00 0.00 H new ATOM 0 HA SER A 57 12.047 -12.992 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.191 -13.272 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.133 -14.976 5.702 1.00 0.00 H new ATOM 0 HG SER A 57 11.678 -15.203 7.122 1.00 0.00 H new ATOM 924 N LYS A 58 12.635 -15.869 4.454 1.00 0.00 N ATOM 925 CA LYS A 58 13.115 -17.167 3.993 1.00 0.00 C ATOM 926 C LYS A 58 12.164 -18.278 4.433 1.00 0.00 C ATOM 927 O LYS A 58 12.558 -19.442 4.481 1.00 0.00 O ATOM 928 CB LYS A 58 14.548 -17.370 4.497 1.00 0.00 C ATOM 929 CG LYS A 58 15.466 -16.376 3.776 1.00 0.00 C ATOM 930 CD LYS A 58 16.915 -16.533 4.250 1.00 0.00 C ATOM 931 CE LYS A 58 17.860 -15.594 3.489 1.00 0.00 C ATOM 932 NZ LYS A 58 17.588 -14.172 3.773 1.00 0.00 N ATOM 0 H LYS A 58 12.793 -15.710 5.449 1.00 0.00 H new ATOM 0 HA LYS A 58 13.135 -17.202 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.595 -17.215 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.874 -18.393 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.411 -16.538 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.125 -15.358 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.974 -16.323 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.235 -17.565 4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.891 -15.825 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.762 -15.773 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.314 -13.582 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.651 -13.917 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.608 -14.013 4.801 1.00 0.00 H new ATOM 946 N ASP A 59 10.915 -17.914 4.744 1.00 0.00 N ATOM 947 CA ASP A 59 9.936 -18.819 5.305 1.00 0.00 C ATOM 948 C ASP A 59 9.056 -19.381 4.188 1.00 0.00 C ATOM 949 O ASP A 59 9.466 -20.307 3.490 1.00 0.00 O ATOM 950 CB ASP A 59 9.140 -18.089 6.403 1.00 0.00 C ATOM 951 CG ASP A 59 10.008 -17.772 7.618 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.752 -16.767 7.552 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.916 -18.542 8.598 1.00 0.00 O ATOM 0 H ASP A 59 10.562 -16.967 4.607 1.00 0.00 H new ATOM 0 HA ASP A 59 10.421 -19.673 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.728 -17.164 5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.296 -18.706 6.711 1.00 0.00 H new ATOM 958 N TRP A 60 7.841 -18.840 4.037 1.00 0.00 N ATOM 959 CA TRP A 60 6.802 -19.401 3.183 1.00 0.00 C ATOM 960 C TRP A 60 5.681 -18.394 2.877 1.00 0.00 C ATOM 961 O TRP A 60 4.684 -18.765 2.259 1.00 0.00 O ATOM 962 CB TRP A 60 6.279 -20.696 3.820 1.00 0.00 C ATOM 963 CG TRP A 60 6.108 -20.647 5.305 1.00 0.00 C ATOM 964 CD1 TRP A 60 6.943 -21.206 6.204 1.00 0.00 C ATOM 965 CD2 TRP A 60 5.112 -19.928 6.081 1.00 0.00 C ATOM 966 NE1 TRP A 60 6.518 -20.917 7.485 1.00 0.00 N ATOM 967 CE2 TRP A 60 5.387 -20.123 7.465 1.00 0.00 C ATOM 968 CE3 TRP A 60 4.017 -19.110 5.748 1.00 0.00 C ATOM 969 CZ2 TRP A 60 4.590 -19.553 8.470 1.00 0.00 C ATOM 970 CZ3 TRP A 60 3.214 -18.526 6.744 1.00 0.00 C ATOM 971 CH2 TRP A 60 3.493 -18.754 8.104 1.00 0.00 C ATOM 0 H TRP A 60 7.553 -17.986 4.515 1.00 0.00 H new ATOM 0 HA TRP A 60 7.234 -19.639 2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.319 -20.944 3.367 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.966 -21.506 3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.815 -21.793 5.958 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.978 -21.246 8.334 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.789 -18.927 4.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.817 -19.726 9.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.380 -17.900 6.464 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.865 -18.316 8.866 1.00 0.00 H new ATOM 982 N SER A 61 5.828 -17.130 3.299 1.00 0.00 N ATOM 983 CA SER A 61 4.847 -16.068 3.101 1.00 0.00 C ATOM 984 C SER A 61 5.011 -15.444 1.703 1.00 0.00 C ATOM 985 O SER A 61 5.411 -16.135 0.767 1.00 0.00 O ATOM 986 CB SER A 61 5.013 -15.058 4.246 1.00 0.00 C ATOM 987 OG SER A 61 6.274 -14.426 4.177 1.00 0.00 O ATOM 0 H SER A 61 6.658 -16.815 3.801 1.00 0.00 H new ATOM 0 HA SER A 61 3.828 -16.453 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.222 -14.309 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.908 -15.567 5.204 1.00 0.00 H new ATOM 0 HG SER A 61 6.182 -13.484 4.431 1.00 0.00 H new ATOM 993 N PHE A 62 4.730 -14.141 1.563 1.00 0.00 N ATOM 994 CA PHE A 62 5.146 -13.312 0.436 1.00 0.00 C ATOM 995 C PHE A 62 4.716 -11.877 0.720 1.00 0.00 C ATOM 996 O PHE A 62 3.545 -11.671 1.041 1.00 0.00 O ATOM 997 CB PHE A 62 4.537 -13.775 -0.897 1.00 0.00 C ATOM 998 CG PHE A 62 5.534 -14.059 -1.993 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.780 -13.410 -2.046 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.258 -15.099 -2.887 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.776 -13.872 -2.912 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.253 -15.574 -3.743 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.509 -14.945 -3.778 1.00 0.00 C ATOM 0 H PHE A 62 4.189 -13.624 2.256 1.00 0.00 H new ATOM 0 HA PHE A 62 6.228 -13.393 0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.952 -14.677 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.844 -13.010 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.968 -12.553 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.271 -15.536 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.749 -13.404 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.057 -16.425 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.266 -15.285 -4.468 1.00 0.00 H new ATOM 1013 N TYR A 63 5.620 -10.887 0.634 1.00 0.00 N ATOM 1014 CA TYR A 63 5.211 -9.542 1.039 1.00 0.00 C ATOM 1015 C TYR A 63 6.221 -8.456 0.678 1.00 0.00 C ATOM 1016 O TYR A 63 7.305 -8.741 0.181 1.00 0.00 O ATOM 1017 CB TYR A 63 5.075 -9.480 2.552 1.00 0.00 C ATOM 1018 CG TYR A 63 6.296 -9.852 3.345 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.173 -8.822 3.721 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.498 -11.158 3.810 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.298 -9.104 4.502 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.613 -11.437 4.613 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.535 -10.421 4.933 1.00 0.00 C ATOM 1024 OH TYR A 63 9.643 -10.716 5.671 1.00 0.00 O ATOM 0 H TYR A 63 6.581 -10.984 0.308 1.00 0.00 H new ATOM 0 HA TYR A 63 4.276 -9.359 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.783 -8.467 2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.260 -10.139 2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.978 -7.808 3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.802 -11.942 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.982 -8.313 4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.766 -12.438 4.989 1.00 0.00 H new ATOM 0 HH TYR A 63 9.381 -11.226 6.466 1.00 0.00 H new ATOM 1034 N LEU A 64 5.870 -7.203 1.005 1.00 0.00 N ATOM 1035 CA LEU A 64 6.635 -6.016 0.673 1.00 0.00 C ATOM 1036 C LEU A 64 6.030 -4.794 1.364 1.00 0.00 C ATOM 1037 O LEU A 64 4.999 -4.888 2.030 1.00 0.00 O ATOM 1038 CB LEU A 64 6.710 -5.851 -0.853 1.00 0.00 C ATOM 1039 CG LEU A 64 5.394 -5.588 -1.607 1.00 0.00 C ATOM 1040 CD1 LEU A 64 5.540 -6.140 -3.034 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.086 -6.129 -1.012 1.00 0.00 C ATOM 0 H LEU A 64 5.017 -6.993 1.524 1.00 0.00 H new ATOM 0 HA LEU A 64 7.657 -6.119 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.391 -5.028 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.160 -6.754 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 64 5.274 -4.506 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.618 -5.965 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.366 -5.637 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.740 -7.211 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.252 -5.860 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.146 -7.214 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.930 -5.697 -0.023 1.00 0.00 H new ATOM 1053 N LEU A 65 6.684 -3.642 1.218 1.00 0.00 N ATOM 1054 CA LEU A 65 6.257 -2.387 1.791 1.00 0.00 C ATOM 1055 C LEU A 65 6.452 -1.322 0.721 1.00 0.00 C ATOM 1056 O LEU A 65 7.491 -1.322 0.063 1.00 0.00 O ATOM 1057 CB LEU A 65 7.148 -2.134 3.003 1.00 0.00 C ATOM 1058 CG LEU A 65 6.472 -1.306 4.088 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.497 -1.171 5.213 1.00 0.00 C ATOM 1060 CD2 LEU A 65 5.995 0.055 3.584 1.00 0.00 C ATOM 0 H LEU A 65 7.548 -3.565 0.681 1.00 0.00 H new ATOM 0 HA LEU A 65 5.214 -2.383 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.455 -3.091 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.054 -1.623 2.678 1.00 0.00 H new ATOM 0 HG LEU A 65 5.564 -1.799 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.070 -0.584 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.765 -2.161 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.389 -0.672 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.522 0.600 4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.847 0.625 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.275 -0.087 2.778 1.00 0.00 H new ATOM 1072 N TYR A 66 5.458 -0.450 0.529 1.00 0.00 N ATOM 1073 CA TYR A 66 5.462 0.540 -0.532 1.00 0.00 C ATOM 1074 C TYR A 66 5.209 1.929 0.054 1.00 0.00 C ATOM 1075 O TYR A 66 4.071 2.252 0.397 1.00 0.00 O ATOM 1076 CB TYR A 66 4.370 0.173 -1.543 1.00 0.00 C ATOM 1077 CG TYR A 66 4.353 -1.269 -2.015 1.00 0.00 C ATOM 1078 CD1 TYR A 66 5.276 -1.711 -2.980 1.00 0.00 C ATOM 1079 CD2 TYR A 66 3.322 -2.139 -1.602 1.00 0.00 C ATOM 1080 CE1 TYR A 66 4.989 -2.867 -3.721 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.050 -3.298 -2.343 1.00 0.00 C ATOM 1082 CZ TYR A 66 3.758 -3.518 -3.538 1.00 0.00 C ATOM 1083 OH TYR A 66 3.272 -4.350 -4.503 1.00 0.00 O ATOM 0 H TYR A 66 4.624 -0.418 1.115 1.00 0.00 H new ATOM 0 HA TYR A 66 6.430 0.554 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.401 0.400 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.479 0.818 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.194 -1.167 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.744 -1.913 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.709 -3.254 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.311 -4.008 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 66 3.988 -4.571 -5.135 1.00 0.00 H new ATOM 1093 N TYR A 67 6.273 2.729 0.192 1.00 0.00 N ATOM 1094 CA TYR A 67 6.218 4.026 0.854 1.00 0.00 C ATOM 1095 C TYR A 67 6.514 5.193 -0.083 1.00 0.00 C ATOM 1096 O TYR A 67 7.251 5.073 -1.060 1.00 0.00 O ATOM 1097 CB TYR A 67 7.118 4.079 2.099 1.00 0.00 C ATOM 1098 CG TYR A 67 8.355 3.205 2.089 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.195 3.178 0.966 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.616 2.350 3.172 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.241 2.244 0.887 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.689 1.444 3.112 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.478 1.363 1.952 1.00 0.00 C ATOM 1104 OH TYR A 67 11.469 0.431 1.859 1.00 0.00 O ATOM 0 H TYR A 67 7.200 2.487 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 67 5.185 4.141 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.434 5.112 2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.516 3.804 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.037 3.878 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.991 2.389 4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.863 2.204 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.907 0.809 3.958 1.00 0.00 H new ATOM 0 HH TYR A 67 11.500 -0.097 2.684 1.00 0.00 H new ATOM 1114 N THR A 68 5.910 6.331 0.259 1.00 0.00 N ATOM 1115 CA THR A 68 5.995 7.572 -0.504 1.00 0.00 C ATOM 1116 C THR A 68 5.973 8.776 0.442 1.00 0.00 C ATOM 1117 O THR A 68 5.389 8.695 1.522 1.00 0.00 O ATOM 1118 CB THR A 68 4.847 7.644 -1.525 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.057 8.757 -2.370 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.458 7.747 -0.889 1.00 0.00 C ATOM 0 H THR A 68 5.334 6.415 1.096 1.00 0.00 H new ATOM 0 HA THR A 68 6.937 7.592 -1.052 1.00 0.00 H new ATOM 0 HB THR A 68 4.861 6.708 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.781 8.558 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.702 7.794 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.279 6.873 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.403 8.648 -0.278 1.00 0.00 H new ATOM 1128 N GLU A 69 6.566 9.902 0.030 1.00 0.00 N ATOM 1129 CA GLU A 69 6.552 11.143 0.795 1.00 0.00 C ATOM 1130 C GLU A 69 5.288 11.946 0.470 1.00 0.00 C ATOM 1131 O GLU A 69 5.351 12.962 -0.221 1.00 0.00 O ATOM 1132 CB GLU A 69 7.830 11.938 0.517 1.00 0.00 C ATOM 1133 CG GLU A 69 9.055 11.221 1.081 1.00 0.00 C ATOM 1134 CD GLU A 69 10.337 12.011 0.844 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.656 12.236 -0.344 1.00 0.00 O ATOM 1136 OE2 GLU A 69 10.978 12.374 1.854 1.00 0.00 O ATOM 0 H GLU A 69 7.072 9.973 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 69 6.529 10.920 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.949 12.078 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.749 12.930 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.921 11.060 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.144 10.238 0.619 1.00 0.00 H new ATOM 1143 N PHE A 70 4.133 11.487 0.973 1.00 0.00 N ATOM 1144 CA PHE A 70 2.847 12.124 0.713 1.00 0.00 C ATOM 1145 C PHE A 70 2.748 13.493 1.383 1.00 0.00 C ATOM 1146 O PHE A 70 3.242 13.691 2.490 1.00 0.00 O ATOM 1147 CB PHE A 70 1.673 11.257 1.186 1.00 0.00 C ATOM 1148 CG PHE A 70 1.320 11.398 2.651 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.182 10.865 3.616 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.211 12.161 3.068 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.805 10.842 4.964 1.00 0.00 C ATOM 1152 CE2 PHE A 70 0.005 12.369 4.441 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.739 11.637 5.387 1.00 0.00 C ATOM 0 H PHE A 70 4.071 10.663 1.571 1.00 0.00 H new ATOM 0 HA PHE A 70 2.787 12.247 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.794 11.506 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.909 10.212 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.142 10.470 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.470 12.580 2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.333 10.216 5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.722 13.096 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.481 11.689 6.434 1.00 0.00 H new ATOM 1163 N THR A 71 2.056 14.411 0.710 1.00 0.00 N ATOM 1164 CA THR A 71 1.736 15.736 1.216 1.00 0.00 C ATOM 1165 C THR A 71 0.209 15.884 1.158 1.00 0.00 C ATOM 1166 O THR A 71 -0.332 15.960 0.056 1.00 0.00 O ATOM 1167 CB THR A 71 2.448 16.798 0.361 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.827 16.501 0.245 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.310 18.177 1.018 1.00 0.00 C ATOM 0 H THR A 71 1.694 14.244 -0.229 1.00 0.00 H new ATOM 0 HA THR A 71 2.076 15.872 2.243 1.00 0.00 H new ATOM 0 HB THR A 71 1.987 16.799 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.264 17.186 -0.303 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.817 18.924 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.254 18.435 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.761 18.154 2.010 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.505 15.895 2.296 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.961 15.886 2.328 1.00 0.00 C ATOM 1179 C PRO A 72 -2.504 17.296 2.080 1.00 0.00 C ATOM 1180 O PRO A 72 -3.014 17.952 2.985 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.318 15.335 3.709 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.165 15.828 4.588 1.00 0.00 C ATOM 1183 CD PRO A 72 0.040 15.857 3.642 1.00 0.00 C ATOM 0 HA PRO A 72 -2.408 15.271 1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.280 15.712 4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.385 14.247 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.372 16.816 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.993 15.160 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.665 16.729 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.668 14.977 3.784 1.00 0.00 H new ATOM 1191 N THR A 73 -2.379 17.760 0.835 1.00 0.00 N ATOM 1192 CA THR A 73 -2.739 19.104 0.410 1.00 0.00 C ATOM 1193 C THR A 73 -4.255 19.318 0.485 1.00 0.00 C ATOM 1194 O THR A 73 -4.992 18.866 -0.388 1.00 0.00 O ATOM 1195 CB THR A 73 -2.189 19.376 -1.001 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.514 18.330 -1.896 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.666 19.539 -0.978 1.00 0.00 C ATOM 0 H THR A 73 -2.012 17.188 0.074 1.00 0.00 H new ATOM 0 HA THR A 73 -2.284 19.823 1.092 1.00 0.00 H new ATOM 0 HB THR A 73 -2.654 20.301 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.152 18.534 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.305 19.730 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.399 20.376 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.208 18.627 -0.596 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.699 20.030 1.530 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.073 20.451 1.778 1.00 0.00 C ATOM 1207 C GLU A 74 -7.035 19.279 1.963 1.00 0.00 C ATOM 1208 O GLU A 74 -7.396 18.952 3.093 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.563 21.452 0.720 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.760 22.755 0.778 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.362 23.812 -0.141 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.465 24.294 0.197 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.715 24.115 -1.167 1.00 0.00 O ATOM 0 H GLU A 74 -4.065 20.343 2.265 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.065 20.975 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.473 21.010 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.620 21.665 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.740 23.128 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.727 22.562 0.488 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.485 18.688 0.851 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.457 17.606 0.815 1.00 0.00 C ATOM 1222 C LYS A 75 -7.931 16.433 -0.018 1.00 0.00 C ATOM 1223 O LYS A 75 -8.694 15.517 -0.323 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.781 18.140 0.248 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.289 19.347 1.048 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.711 19.723 0.616 1.00 0.00 C ATOM 1227 CE LYS A 75 -12.190 21.017 1.287 1.00 0.00 C ATOM 1228 NZ LYS A 75 -12.177 20.931 2.759 1.00 0.00 N ATOM 0 H LYS A 75 -7.167 18.964 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.627 17.235 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.643 18.425 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.531 17.349 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.276 19.115 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.622 20.196 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.742 19.843 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.393 18.910 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.554 21.843 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.201 21.244 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.573 21.805 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.750 20.119 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.199 20.809 3.091 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.641 16.450 -0.386 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.043 15.395 -1.189 1.00 0.00 C ATOM 1244 C ASP A 76 -5.804 14.171 -0.307 1.00 0.00 C ATOM 1245 O ASP A 76 -4.855 14.144 0.476 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.742 15.863 -1.838 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.285 14.837 -2.862 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.785 14.877 -4.007 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.438 14.008 -2.477 1.00 0.00 O ATOM 0 H ASP A 76 -5.993 17.196 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.727 15.131 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.891 16.830 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.973 16.000 -1.078 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.690 13.177 -0.423 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.683 11.976 0.392 1.00 0.00 C ATOM 1256 C GLU A 77 -5.979 10.859 -0.370 1.00 0.00 C ATOM 1257 O GLU A 77 -6.303 10.584 -1.524 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.124 11.607 0.758 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.147 10.484 1.810 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.533 10.164 2.340 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.526 10.605 1.718 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -9.582 9.440 3.359 1.00 0.00 O ATOM 0 H GLU A 77 -7.448 13.194 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.137 12.141 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.643 12.485 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.661 11.287 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.719 9.582 1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.507 10.769 2.645 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.004 10.233 0.292 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.157 9.196 -0.260 1.00 0.00 C ATOM 1271 C TYR A 78 -4.772 7.823 0.011 1.00 0.00 C ATOM 1272 O TYR A 78 -5.458 7.619 1.012 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.747 9.338 0.326 1.00 0.00 C ATOM 1274 CG TYR A 78 -1.938 10.492 -0.247 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.291 11.822 0.050 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.860 10.245 -1.119 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.590 12.892 -0.530 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.152 11.322 -1.686 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.499 12.645 -1.376 1.00 0.00 C ATOM 1280 OH TYR A 78 0.225 13.675 -1.905 1.00 0.00 O ATOM 0 H TYR A 78 -4.781 10.449 1.264 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.079 9.299 -1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.827 9.468 1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.202 8.409 0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.107 12.021 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.576 9.229 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.892 13.908 -0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.665 11.128 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 78 0.091 14.481 -1.364 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.532 6.886 -0.910 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.019 5.519 -0.846 1.00 0.00 C ATOM 1292 C ALA A 79 -4.066 4.606 -1.619 1.00 0.00 C ATOM 1293 O ALA A 79 -3.098 5.078 -2.217 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.443 5.465 -1.413 1.00 0.00 C ATOM 0 H ALA A 79 -3.975 7.071 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.053 5.172 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.814 4.441 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.093 6.113 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.435 5.802 -2.449 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.338 3.297 -1.590 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.528 2.266 -2.225 1.00 0.00 C ATOM 1302 C CYS A 80 -4.458 1.413 -3.092 1.00 0.00 C ATOM 1303 O CYS A 80 -5.428 0.864 -2.573 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.839 1.396 -1.154 1.00 0.00 C ATOM 1305 SG CYS A 80 -2.353 2.189 0.412 1.00 0.00 S ATOM 0 H CYS A 80 -5.154 2.920 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.748 2.716 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.508 0.569 -0.916 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.944 0.964 -1.601 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.185 1.293 -4.398 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.944 0.408 -5.279 1.00 0.00 C ATOM 1312 C ARG A 81 -4.466 -1.031 -5.059 1.00 0.00 C ATOM 1313 O ARG A 81 -3.508 -1.453 -5.700 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.796 0.865 -6.738 1.00 0.00 C ATOM 1315 CG ARG A 81 -5.454 -0.125 -7.710 1.00 0.00 C ATOM 1316 CD ARG A 81 -5.495 0.404 -9.149 1.00 0.00 C ATOM 1317 NE ARG A 81 -5.729 -0.682 -10.115 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.815 -1.596 -10.500 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -3.554 -1.575 -10.048 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -5.153 -2.569 -11.355 1.00 0.00 N ATOM 0 H ARG A 81 -3.437 1.804 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.008 0.449 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.248 1.849 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.739 0.967 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.908 -1.068 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.469 -0.337 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.284 1.151 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.554 0.903 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.660 -0.749 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.259 -0.852 -9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.888 -2.282 -10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.105 -2.621 -11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.459 -3.258 -11.644 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.112 -1.782 -4.154 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.685 -3.129 -3.809 1.00 0.00 C ATOM 1336 C VAL A 82 -5.441 -4.142 -4.664 1.00 0.00 C ATOM 1337 O VAL A 82 -6.611 -4.404 -4.399 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.912 -3.416 -2.313 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.216 -4.732 -1.947 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.355 -2.303 -1.420 1.00 0.00 C ATOM 0 H VAL A 82 -5.940 -1.467 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.617 -3.216 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.987 -3.477 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.371 -4.944 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.633 -5.543 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.148 -4.647 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.538 -2.550 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.282 -2.205 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.847 -1.361 -1.663 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.758 -4.758 -5.636 1.00 0.00 N ATOM 1351 CA ASN A 83 -5.199 -5.998 -6.267 1.00 0.00 C ATOM 1352 C ASN A 83 -4.051 -7.003 -6.211 1.00 0.00 C ATOM 1353 O ASN A 83 -3.162 -6.982 -7.061 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.740 -5.802 -7.694 1.00 0.00 C ATOM 1355 CG ASN A 83 -4.883 -4.914 -8.589 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -4.761 -3.719 -8.338 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -4.325 -5.483 -9.658 1.00 0.00 N ATOM 0 H ASN A 83 -3.877 -4.403 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.052 -6.385 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.841 -6.779 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.740 -5.373 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.771 -4.921 -10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.452 -6.481 -9.829 1.00 0.00 H new ATOM 1364 N HIS A 84 -4.095 -7.903 -5.218 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.340 -9.149 -5.251 1.00 0.00 C ATOM 1366 C HIS A 84 -4.020 -10.022 -6.308 1.00 0.00 C ATOM 1367 O HIS A 84 -5.203 -9.832 -6.596 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.392 -9.824 -3.877 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.656 -11.138 -3.826 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.346 -12.348 -3.827 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.311 -11.396 -3.814 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.396 -13.285 -3.798 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -1.157 -12.767 -3.817 1.00 0.00 N ATOM 0 H HIS A 84 -4.656 -7.782 -4.375 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.290 -8.984 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.968 -9.150 -3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.433 -9.989 -3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.518 -10.663 -3.804 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.601 -14.345 -3.763 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.278 -13.284 -3.831 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.299 -10.983 -6.887 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.867 -11.843 -7.917 1.00 0.00 C ATOM 1383 C VAL A 85 -5.154 -12.536 -7.447 1.00 0.00 C ATOM 1384 O VAL A 85 -6.087 -12.683 -8.234 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.807 -12.820 -8.451 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -2.323 -13.833 -7.407 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -3.310 -13.550 -9.701 1.00 0.00 C ATOM 0 H VAL A 85 -2.325 -11.182 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.171 -11.217 -8.756 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.946 -12.205 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.577 -14.489 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.881 -13.303 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.167 -14.428 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.540 -14.234 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.211 -14.113 -9.456 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.538 -12.823 -10.480 1.00 0.00 H new ATOM 1397 N THR A 86 -5.224 -12.922 -6.165 1.00 0.00 N ATOM 1398 CA THR A 86 -6.365 -13.641 -5.617 1.00 0.00 C ATOM 1399 C THR A 86 -7.514 -12.720 -5.179 1.00 0.00 C ATOM 1400 O THR A 86 -8.630 -13.209 -5.004 1.00 0.00 O ATOM 1401 CB THR A 86 -5.908 -14.654 -4.554 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.611 -15.861 -4.742 1.00 0.00 O ATOM 1403 CG2 THR A 86 -6.118 -14.201 -3.110 1.00 0.00 C ATOM 0 H THR A 86 -4.486 -12.740 -5.484 1.00 0.00 H new ATOM 0 HA THR A 86 -6.812 -14.224 -6.422 1.00 0.00 H new ATOM 0 HB THR A 86 -4.833 -14.768 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.111 -16.438 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.767 -14.978 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.558 -13.283 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.179 -14.019 -2.936 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.289 -11.400 -5.053 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.398 -10.453 -4.953 1.00 0.00 C ATOM 1413 C LEU A 87 -9.222 -10.504 -6.237 1.00 0.00 C ATOM 1414 O LEU A 87 -10.448 -10.565 -6.171 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.898 -9.016 -4.730 1.00 0.00 C ATOM 1416 CG LEU A 87 -8.011 -8.548 -3.276 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.202 -9.414 -2.312 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.506 -7.106 -3.157 1.00 0.00 C ATOM 0 H LEU A 87 -6.362 -10.976 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.008 -10.737 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.857 -8.949 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.467 -8.339 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.064 -8.625 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.320 -9.036 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.559 -10.443 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.149 -9.383 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.588 -6.776 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.464 -7.058 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.107 -6.456 -3.793 1.00 0.00 H new ATOM 1430 N SER A 88 -8.541 -10.420 -7.389 1.00 0.00 N ATOM 1431 CA SER A 88 -9.123 -10.322 -8.723 1.00 0.00 C ATOM 1432 C SER A 88 -9.663 -8.915 -8.997 1.00 0.00 C ATOM 1433 O SER A 88 -9.407 -8.357 -10.062 1.00 0.00 O ATOM 1434 CB SER A 88 -10.174 -11.417 -8.974 1.00 0.00 C ATOM 1435 OG SER A 88 -10.462 -11.503 -10.354 1.00 0.00 O ATOM 0 H SER A 88 -7.521 -10.419 -7.410 1.00 0.00 H new ATOM 0 HA SER A 88 -8.323 -10.497 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.806 -12.376 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.084 -11.193 -8.417 1.00 0.00 H new ATOM 0 HG SER A 88 -11.131 -12.203 -10.506 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.398 -8.338 -8.037 1.00 0.00 N ATOM 1442 CA GLN A 89 -11.009 -7.028 -8.109 1.00 0.00 C ATOM 1443 C GLN A 89 -10.239 -6.117 -7.147 1.00 0.00 C ATOM 1444 O GLN A 89 -10.045 -6.496 -5.993 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.490 -7.174 -7.730 1.00 0.00 C ATOM 1446 CG GLN A 89 -13.059 -5.902 -7.100 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.579 -5.950 -6.989 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -15.117 -6.272 -5.933 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -15.277 -5.619 -8.077 1.00 0.00 N ATOM 0 H GLN A 89 -10.585 -8.805 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.966 -6.590 -9.106 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.067 -7.425 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.604 -8.004 -7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.627 -5.764 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.766 -5.039 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.791 -5.357 -8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.297 -5.628 -8.051 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.799 -4.925 -7.582 1.00 0.00 N ATOM 1459 CA PRO A 90 -9.032 -4.029 -6.740 1.00 0.00 C ATOM 1460 C PRO A 90 -9.903 -3.456 -5.625 1.00 0.00 C ATOM 1461 O PRO A 90 -11.068 -3.124 -5.841 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.505 -2.934 -7.671 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.576 -2.873 -8.757 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.996 -4.338 -8.898 1.00 0.00 C ATOM 0 HA PRO A 90 -8.210 -4.543 -6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.397 -1.980 -7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.527 -3.187 -8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.413 -2.238 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.183 -2.473 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.036 -4.420 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.394 -4.849 -9.650 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.310 -3.344 -4.435 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.879 -2.691 -3.272 1.00 0.00 C ATOM 1474 C LYS A 91 -8.991 -1.476 -3.027 1.00 0.00 C ATOM 1475 O LYS A 91 -7.803 -1.631 -2.741 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.885 -3.656 -2.076 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.803 -4.863 -2.332 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.678 -5.954 -1.259 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.148 -5.504 0.129 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.104 -6.618 1.094 1.00 0.00 N ATOM 0 H LYS A 91 -8.381 -3.725 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.916 -2.390 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.870 -4.004 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.217 -3.128 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.837 -4.522 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.567 -5.291 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.259 -6.823 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.638 -6.273 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.518 -4.688 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.165 -5.116 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.427 -6.284 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.725 -7.386 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.129 -6.971 1.173 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.542 -0.271 -3.206 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.770 0.956 -3.142 1.00 0.00 C ATOM 1496 C ILE A 92 -8.679 1.392 -1.674 1.00 0.00 C ATOM 1497 O ILE A 92 -9.350 2.334 -1.255 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.374 2.023 -4.077 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.794 1.488 -5.462 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.357 3.159 -4.241 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.678 0.780 -6.233 1.00 0.00 C ATOM 0 H ILE A 92 -10.533 -0.128 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.753 0.802 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.294 2.373 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.626 0.795 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.162 2.320 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.768 3.923 -4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.141 3.598 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.437 2.764 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.061 0.437 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.853 1.473 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.324 -0.075 -5.657 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.875 0.666 -0.886 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.788 0.825 0.561 1.00 0.00 C ATOM 1515 C VAL A 93 -7.264 2.223 0.893 1.00 0.00 C ATOM 1516 O VAL A 93 -6.115 2.540 0.584 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.896 -0.273 1.178 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.908 -0.179 2.711 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.363 -1.682 0.787 1.00 0.00 C ATOM 0 H VAL A 93 -7.258 -0.060 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.782 0.717 0.995 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.891 -0.109 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.274 -0.961 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.531 0.797 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.927 -0.306 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.706 -2.423 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.384 -1.837 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.331 -1.788 -0.297 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.107 3.058 1.517 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.728 4.413 1.887 1.00 0.00 C ATOM 1531 C LYS A 94 -6.791 4.403 3.089 1.00 0.00 C ATOM 1532 O LYS A 94 -6.829 3.494 3.918 1.00 0.00 O ATOM 1533 CB LYS A 94 -8.947 5.297 2.167 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.990 5.271 1.041 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.733 6.612 0.945 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.414 7.008 2.263 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.086 8.316 2.158 1.00 0.00 N ATOM 0 H LYS A 94 -9.062 2.808 1.774 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.203 4.842 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.417 4.972 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.615 6.324 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.500 5.054 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.704 4.468 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.029 7.393 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.484 6.551 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.142 6.246 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.671 7.043 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.099 8.776 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.572 8.917 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.062 8.179 1.826 1.00 0.00 H new ATOM 1551 N TRP A 95 -5.949 5.435 3.171 1.00 0.00 N ATOM 1552 CA TRP A 95 -4.981 5.593 4.239 1.00 0.00 C ATOM 1553 C TRP A 95 -5.655 5.965 5.563 1.00 0.00 C ATOM 1554 O TRP A 95 -6.013 7.122 5.793 1.00 0.00 O ATOM 1555 CB TRP A 95 -3.922 6.601 3.793 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.094 7.208 4.877 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.465 6.564 5.884 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -2.875 8.621 5.109 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -1.947 7.484 6.771 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.222 8.775 6.365 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.158 9.787 4.375 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -1.971 10.036 6.920 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.789 11.049 4.862 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.270 11.179 6.161 1.00 0.00 C ATOM 0 H TRP A 95 -5.926 6.190 2.485 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.484 4.643 4.435 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.254 6.107 3.087 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.420 7.405 3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.381 5.492 5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.429 7.243 7.616 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.666 9.709 3.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.555 10.128 7.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.904 11.923 4.237 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.100 12.161 6.577 1.00 0.00 H new ATOM 1575 N ASP A 96 -5.771 4.962 6.442 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.171 5.118 7.831 1.00 0.00 C ATOM 1577 C ASP A 96 -5.086 5.881 8.596 1.00 0.00 C ATOM 1578 O ASP A 96 -3.895 5.689 8.361 1.00 0.00 O ATOM 1579 CB ASP A 96 -6.403 3.736 8.451 1.00 0.00 C ATOM 1580 CG ASP A 96 -6.946 3.807 9.877 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -7.644 4.799 10.183 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -6.661 2.855 10.634 1.00 0.00 O ATOM 0 H ASP A 96 -5.581 3.992 6.190 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.099 5.687 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.102 3.177 7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.464 3.182 8.452 1.00 0.00 H new