USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 520 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 7 THR OG1 : rot -121:sc= 0.42 USER MOD Set 1.2: A 65 TYR OH : rot 168:sc= 1.86 USER MOD Single : A 6 THR OG1 : rot 32:sc= 0.4 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.12) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 20 GLN : amide:sc= 1.13 K(o=1.1,f=-6.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.813 X(o=-0.81,f=-0.68) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.981 (180deg=0.819) USER MOD Single : A 39 ASN : amide:sc= 0.539 K(o=0.54,f=-0.0072) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 64:sc= 0.113 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 71:sc=-0.00967 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 10.493 -0.527 3.948 1.00 0.00 N ATOM 79 CA THR A 6 9.807 -1.770 4.227 1.00 0.00 C ATOM 80 C THR A 6 8.960 -2.080 2.988 1.00 0.00 C ATOM 81 O THR A 6 8.737 -1.191 2.156 1.00 0.00 O ATOM 82 CB THR A 6 8.987 -1.618 5.524 1.00 0.00 C ATOM 83 OG1 THR A 6 9.637 -0.800 6.481 1.00 0.00 O ATOM 84 CG2 THR A 6 8.791 -2.989 6.150 1.00 0.00 C ATOM 0 HA THR A 6 10.483 -2.607 4.404 1.00 0.00 H new ATOM 0 HB THR A 6 8.039 -1.152 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.163 -0.113 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.212 -2.890 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.258 -3.635 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.763 -3.427 6.379 1.00 0.00 H new ATOM 92 N THR A 7 8.486 -3.312 2.816 1.00 0.00 N ATOM 93 CA THR A 7 7.701 -3.640 1.638 1.00 0.00 C ATOM 94 C THR A 7 6.345 -2.935 1.669 1.00 0.00 C ATOM 95 O THR A 7 5.948 -2.300 2.652 1.00 0.00 O ATOM 96 CB THR A 7 7.614 -5.156 1.426 1.00 0.00 C ATOM 97 OG1 THR A 7 7.328 -5.413 0.069 1.00 0.00 O ATOM 98 CG2 THR A 7 6.606 -5.868 2.332 1.00 0.00 C ATOM 0 H THR A 7 8.630 -4.084 3.467 1.00 0.00 H new ATOM 0 HA THR A 7 8.215 -3.256 0.757 1.00 0.00 H new ATOM 0 HB THR A 7 8.584 -5.568 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.491 -5.919 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.611 -6.936 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.879 -5.710 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.609 -5.466 2.153 1.00 0.00 H new ATOM 106 N TYR A 8 5.617 -3.103 0.574 1.00 0.00 N ATOM 107 CA TYR A 8 4.371 -2.408 0.258 1.00 0.00 C ATOM 108 C TYR A 8 3.314 -2.529 1.350 1.00 0.00 C ATOM 109 O TYR A 8 2.508 -1.620 1.535 1.00 0.00 O ATOM 110 CB TYR A 8 3.833 -2.951 -1.071 1.00 0.00 C ATOM 111 CG TYR A 8 4.652 -2.603 -2.297 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.259 -1.338 -2.426 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.810 -3.553 -3.322 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.014 -1.032 -3.563 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.586 -3.258 -4.455 1.00 0.00 C ATOM 116 CZ TYR A 8 6.184 -1.988 -4.591 1.00 0.00 C ATOM 117 OH TYR A 8 6.877 -1.653 -5.719 1.00 0.00 O ATOM 0 H TYR A 8 5.891 -3.760 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 8 4.595 -1.344 0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.763 -4.036 -0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.820 -2.575 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.141 -0.602 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.331 -4.517 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.471 -0.058 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.725 -4.005 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 8 6.904 -2.421 -6.327 1.00 0.00 H new ATOM 127 N TYR A 9 3.333 -3.624 2.099 1.00 0.00 N ATOM 128 CA TYR A 9 2.433 -3.855 3.209 1.00 0.00 C ATOM 129 C TYR A 9 2.554 -2.774 4.287 1.00 0.00 C ATOM 130 O TYR A 9 1.535 -2.223 4.707 1.00 0.00 O ATOM 131 CB TYR A 9 2.699 -5.272 3.727 1.00 0.00 C ATOM 132 CG TYR A 9 2.328 -6.367 2.736 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.074 -6.338 2.095 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.210 -7.437 2.481 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.690 -7.379 1.241 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.830 -8.488 1.624 1.00 0.00 C ATOM 137 CZ TYR A 9 1.562 -8.455 0.998 1.00 0.00 C ATOM 138 OH TYR A 9 1.147 -9.480 0.209 1.00 0.00 O ATOM 0 H TYR A 9 3.990 -4.389 1.944 1.00 0.00 H new ATOM 0 HA TYR A 9 1.395 -3.784 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.756 -5.365 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.138 -5.423 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.404 -5.507 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.184 -7.451 2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.280 -7.355 0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.503 -9.314 1.446 1.00 0.00 H new ATOM 0 HH TYR A 9 1.862 -10.146 0.135 1.00 0.00 H new ATOM 148 N ASP A 10 3.771 -2.426 4.715 1.00 0.00 N ATOM 149 CA ASP A 10 3.915 -1.457 5.805 1.00 0.00 C ATOM 150 C ASP A 10 3.589 -0.033 5.363 1.00 0.00 C ATOM 151 O ASP A 10 3.176 0.766 6.203 1.00 0.00 O ATOM 152 CB ASP A 10 5.284 -1.533 6.504 1.00 0.00 C ATOM 153 CG ASP A 10 5.135 -2.133 7.909 1.00 0.00 C ATOM 154 OD1 ASP A 10 4.269 -1.667 8.690 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.838 -3.121 8.220 1.00 0.00 O ATOM 0 H ASP A 10 4.647 -2.788 4.337 1.00 0.00 H new ATOM 0 HA ASP A 10 3.172 -1.743 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.968 -2.141 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.721 -0.537 6.572 1.00 0.00 H new ATOM 160 N VAL A 11 3.649 0.279 4.059 1.00 0.00 N ATOM 161 CA VAL A 11 3.138 1.547 3.532 1.00 0.00 C ATOM 162 C VAL A 11 1.692 1.693 3.975 1.00 0.00 C ATOM 163 O VAL A 11 1.301 2.708 4.555 1.00 0.00 O ATOM 164 CB VAL A 11 3.257 1.626 1.988 1.00 0.00 C ATOM 165 CG1 VAL A 11 2.712 2.953 1.438 1.00 0.00 C ATOM 166 CG2 VAL A 11 4.694 1.435 1.488 1.00 0.00 C ATOM 0 H VAL A 11 4.049 -0.335 3.350 1.00 0.00 H new ATOM 0 HA VAL A 11 3.739 2.367 3.925 1.00 0.00 H new ATOM 0 HB VAL A 11 2.651 0.801 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.815 2.967 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.660 3.052 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.275 3.783 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.712 1.501 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.332 2.212 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.060 0.456 1.799 1.00 0.00 H new ATOM 176 N LEU A 12 0.905 0.651 3.733 1.00 0.00 N ATOM 177 CA LEU A 12 -0.520 0.595 3.999 1.00 0.00 C ATOM 178 C LEU A 12 -0.810 0.293 5.469 1.00 0.00 C ATOM 179 O LEU A 12 -1.959 0.002 5.803 1.00 0.00 O ATOM 180 CB LEU A 12 -1.118 -0.477 3.072 1.00 0.00 C ATOM 181 CG LEU A 12 -1.028 -0.069 1.587 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.921 -1.317 0.707 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.235 0.792 1.211 1.00 0.00 C ATOM 0 H LEU A 12 1.263 -0.214 3.328 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.977 1.564 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.593 -1.420 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.161 -0.647 3.339 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.131 0.528 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.858 -1.020 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.027 -1.879 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.801 -1.943 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.166 1.077 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.151 0.225 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.249 1.689 1.830 1.00 0.00 H new ATOM 195 N GLY A 13 0.201 0.330 6.344 1.00 0.00 N ATOM 196 CA GLY A 13 0.062 0.065 7.768 1.00 0.00 C ATOM 197 C GLY A 13 -0.535 -1.312 8.034 1.00 0.00 C ATOM 198 O GLY A 13 -1.155 -1.504 9.082 1.00 0.00 O ATOM 0 H GLY A 13 1.158 0.551 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.038 0.136 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.571 0.829 8.219 1.00 0.00 H new ATOM 202 N VAL A 14 -0.419 -2.252 7.090 1.00 0.00 N ATOM 203 CA VAL A 14 -1.029 -3.565 7.183 1.00 0.00 C ATOM 204 C VAL A 14 0.111 -4.540 7.451 1.00 0.00 C ATOM 205 O VAL A 14 1.182 -4.427 6.845 1.00 0.00 O ATOM 206 CB VAL A 14 -1.901 -3.847 5.932 1.00 0.00 C ATOM 207 CG1 VAL A 14 -1.170 -4.424 4.704 1.00 0.00 C ATOM 208 CG2 VAL A 14 -3.074 -4.759 6.310 1.00 0.00 C ATOM 0 H VAL A 14 0.111 -2.111 6.230 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.743 -3.663 8.001 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.241 -2.862 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.884 -4.578 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.398 -3.726 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.710 -5.376 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.683 -4.953 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.691 -5.701 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.683 -4.271 7.071 1.00 0.00 H new ATOM 218 N LYS A 15 -0.056 -5.461 8.408 1.00 0.00 N ATOM 219 CA LYS A 15 0.975 -6.473 8.633 1.00 0.00 C ATOM 220 C LYS A 15 1.206 -7.237 7.322 1.00 0.00 C ATOM 221 O LYS A 15 0.254 -7.476 6.576 1.00 0.00 O ATOM 222 CB LYS A 15 0.698 -7.374 9.855 1.00 0.00 C ATOM 223 CG LYS A 15 -0.737 -7.844 10.138 1.00 0.00 C ATOM 224 CD LYS A 15 -1.472 -8.393 8.916 1.00 0.00 C ATOM 225 CE LYS A 15 -2.804 -9.053 9.267 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.671 -10.468 9.680 1.00 0.00 N ATOM 0 H LYS A 15 -0.869 -5.525 9.020 1.00 0.00 H new ATOM 0 HA LYS A 15 1.907 -5.979 8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.319 -8.264 9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.048 -6.842 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.709 -8.616 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.307 -7.009 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.650 -7.581 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.835 -9.119 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.278 -8.491 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.468 -8.995 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.594 -10.824 10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.342 -11.036 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.984 -10.540 10.457 1.00 0.00 H new ATOM 240 N PRO A 16 2.434 -7.692 7.031 1.00 0.00 N ATOM 241 CA PRO A 16 2.729 -8.400 5.792 1.00 0.00 C ATOM 242 C PRO A 16 2.009 -9.752 5.692 1.00 0.00 C ATOM 243 O PRO A 16 1.956 -10.344 4.616 1.00 0.00 O ATOM 244 CB PRO A 16 4.257 -8.512 5.750 1.00 0.00 C ATOM 245 CG PRO A 16 4.658 -8.467 7.223 1.00 0.00 C ATOM 246 CD PRO A 16 3.636 -7.507 7.819 1.00 0.00 C ATOM 0 HA PRO A 16 2.355 -7.862 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.579 -9.439 5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.704 -7.693 5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.607 -9.452 7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.678 -8.105 7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.455 -7.728 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.987 -6.476 7.766 1.00 0.00 H new ATOM 254 N ASN A 17 1.394 -10.227 6.778 1.00 0.00 N ATOM 255 CA ASN A 17 0.562 -11.425 6.839 1.00 0.00 C ATOM 256 C ASN A 17 -0.921 -11.087 6.608 1.00 0.00 C ATOM 257 O ASN A 17 -1.783 -11.657 7.277 1.00 0.00 O ATOM 258 CB ASN A 17 0.816 -12.137 8.181 1.00 0.00 C ATOM 259 CG ASN A 17 2.173 -12.825 8.187 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.205 -12.185 8.376 1.00 0.00 O ATOM 261 ND2 ASN A 17 2.206 -14.116 7.910 1.00 0.00 N ATOM 0 H ASN A 17 1.468 -9.761 7.682 1.00 0.00 H new ATOM 0 HA ASN A 17 0.833 -12.109 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.768 -11.414 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.031 -12.872 8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.101 -14.602 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.337 -14.627 7.757 1.00 0.00 H new ATOM 268 N ALA A 18 -1.239 -10.111 5.749 1.00 0.00 N ATOM 269 CA ALA A 18 -2.610 -9.723 5.410 1.00 0.00 C ATOM 270 C ALA A 18 -3.070 -10.373 4.107 1.00 0.00 C ATOM 271 O ALA A 18 -2.254 -10.701 3.237 1.00 0.00 O ATOM 272 CB ALA A 18 -2.691 -8.204 5.267 1.00 0.00 C ATOM 0 H ALA A 18 -0.534 -9.558 5.261 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.263 -10.064 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.712 -7.916 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.403 -7.734 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.016 -7.876 4.477 1.00 0.00 H new ATOM 278 N THR A 19 -4.382 -10.509 3.952 1.00 0.00 N ATOM 279 CA THR A 19 -5.059 -11.138 2.827 1.00 0.00 C ATOM 280 C THR A 19 -5.579 -10.079 1.833 1.00 0.00 C ATOM 281 O THR A 19 -5.614 -8.887 2.152 1.00 0.00 O ATOM 282 CB THR A 19 -6.176 -12.012 3.431 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.821 -11.337 4.476 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.609 -13.312 4.010 1.00 0.00 C ATOM 0 H THR A 19 -5.039 -10.162 4.651 1.00 0.00 H new ATOM 0 HA THR A 19 -4.385 -11.761 2.239 1.00 0.00 H new ATOM 0 HB THR A 19 -6.875 -12.232 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.528 -11.906 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.420 -13.908 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.114 -13.877 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.889 -13.078 4.794 1.00 0.00 H new ATOM 292 N GLN A 20 -6.001 -10.493 0.628 1.00 0.00 N ATOM 293 CA GLN A 20 -6.446 -9.598 -0.451 1.00 0.00 C ATOM 294 C GLN A 20 -7.522 -8.621 0.023 1.00 0.00 C ATOM 295 O GLN A 20 -7.571 -7.467 -0.410 1.00 0.00 O ATOM 296 CB GLN A 20 -7.050 -10.399 -1.625 1.00 0.00 C ATOM 297 CG GLN A 20 -6.128 -11.391 -2.347 1.00 0.00 C ATOM 298 CD GLN A 20 -4.915 -10.746 -3.014 1.00 0.00 C ATOM 299 OE1 GLN A 20 -3.892 -11.398 -3.184 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.984 -9.482 -3.395 1.00 0.00 N ATOM 0 H GLN A 20 -6.043 -11.479 0.372 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.558 -9.051 -0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.911 -10.951 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.424 -9.688 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.781 -12.136 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.705 -11.922 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.842 -8.951 -3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.179 -9.038 -3.837 1.00 0.00 H new ATOM 309 N GLU A 21 -8.433 -9.105 0.860 1.00 0.00 N ATOM 310 CA GLU A 21 -9.606 -8.358 1.276 1.00 0.00 C ATOM 311 C GLU A 21 -9.250 -7.407 2.418 1.00 0.00 C ATOM 312 O GLU A 21 -9.815 -6.314 2.519 1.00 0.00 O ATOM 313 CB GLU A 21 -10.688 -9.352 1.702 1.00 0.00 C ATOM 314 CG GLU A 21 -10.994 -10.331 0.562 1.00 0.00 C ATOM 315 CD GLU A 21 -12.216 -11.174 0.881 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.108 -12.081 1.741 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.289 -10.878 0.315 1.00 0.00 O ATOM 0 H GLU A 21 -8.374 -10.037 1.271 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.979 -7.752 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.359 -9.902 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.594 -8.815 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.161 -9.778 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.134 -10.980 0.394 1.00 0.00 H new ATOM 324 N GLU A 22 -8.306 -7.815 3.267 1.00 0.00 N ATOM 325 CA GLU A 22 -7.766 -6.992 4.341 1.00 0.00 C ATOM 326 C GLU A 22 -7.076 -5.760 3.736 1.00 0.00 C ATOM 327 O GLU A 22 -7.386 -4.637 4.149 1.00 0.00 O ATOM 328 CB GLU A 22 -6.845 -7.827 5.253 1.00 0.00 C ATOM 329 CG GLU A 22 -7.650 -8.790 6.146 1.00 0.00 C ATOM 330 CD GLU A 22 -6.811 -9.349 7.307 1.00 0.00 C ATOM 331 OE1 GLU A 22 -6.487 -8.546 8.214 1.00 0.00 O ATOM 332 OE2 GLU A 22 -6.504 -10.565 7.361 1.00 0.00 O ATOM 0 H GLU A 22 -7.890 -8.745 3.223 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.569 -6.630 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.146 -8.397 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.251 -7.161 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.519 -8.269 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.024 -9.616 5.541 1.00 0.00 H new ATOM 339 N LEU A 23 -6.241 -5.954 2.699 1.00 0.00 N ATOM 340 CA LEU A 23 -5.596 -4.896 1.911 1.00 0.00 C ATOM 341 C LEU A 23 -6.619 -3.840 1.495 1.00 0.00 C ATOM 342 O LEU A 23 -6.479 -2.667 1.826 1.00 0.00 O ATOM 343 CB LEU A 23 -4.922 -5.484 0.646 1.00 0.00 C ATOM 344 CG LEU A 23 -3.427 -5.837 0.721 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.531 -4.605 0.849 1.00 0.00 C ATOM 346 CD2 LEU A 23 -3.118 -6.854 1.811 1.00 0.00 C ATOM 0 H LEU A 23 -5.990 -6.889 2.377 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.833 -4.433 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.465 -6.388 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.056 -4.769 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.194 -6.305 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.488 -4.917 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.676 -3.958 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.789 -4.060 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.049 -7.066 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.415 -6.451 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.669 -7.774 1.617 1.00 0.00 H new ATOM 358 N LYS A 24 -7.677 -4.245 0.787 1.00 0.00 N ATOM 359 CA LYS A 24 -8.640 -3.315 0.192 1.00 0.00 C ATOM 360 C LYS A 24 -9.182 -2.310 1.210 1.00 0.00 C ATOM 361 O LYS A 24 -9.283 -1.114 0.930 1.00 0.00 O ATOM 362 CB LYS A 24 -9.737 -4.139 -0.498 1.00 0.00 C ATOM 363 CG LYS A 24 -10.780 -3.291 -1.244 1.00 0.00 C ATOM 364 CD LYS A 24 -11.996 -2.904 -0.388 1.00 0.00 C ATOM 365 CE LYS A 24 -13.163 -2.466 -1.278 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.891 -1.229 -2.040 1.00 0.00 N ATOM 0 H LYS A 24 -7.890 -5.227 0.610 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.145 -2.696 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.271 -4.827 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.246 -4.747 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.301 -2.382 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.125 -3.843 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.299 -3.751 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.727 -2.096 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.398 -3.269 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.046 -2.314 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.720 -0.989 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.694 -0.450 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.067 -1.376 -2.657 1.00 0.00 H new ATOM 380 N LYS A 25 -9.544 -2.775 2.406 1.00 0.00 N ATOM 381 CA LYS A 25 -10.017 -1.896 3.475 1.00 0.00 C ATOM 382 C LYS A 25 -8.874 -1.071 4.062 1.00 0.00 C ATOM 383 O LYS A 25 -9.120 0.087 4.412 1.00 0.00 O ATOM 384 CB LYS A 25 -10.717 -2.727 4.547 1.00 0.00 C ATOM 385 CG LYS A 25 -12.019 -3.322 3.986 1.00 0.00 C ATOM 386 CD LYS A 25 -12.794 -3.965 5.128 1.00 0.00 C ATOM 387 CE LYS A 25 -14.114 -4.626 4.704 1.00 0.00 C ATOM 388 NZ LYS A 25 -15.171 -3.653 4.360 1.00 0.00 N ATOM 0 H LYS A 25 -9.518 -3.763 2.659 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.734 -1.188 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.059 -3.527 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.936 -2.105 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.618 -2.543 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.796 -4.062 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.162 -4.715 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.007 -3.205 5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.930 -5.271 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.468 -5.266 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.035 -4.162 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.373 -3.053 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.851 -3.058 3.569 1.00 0.00 H new ATOM 402 N ALA A 26 -7.660 -1.626 4.175 1.00 0.00 N ATOM 403 CA ALA A 26 -6.488 -0.927 4.694 1.00 0.00 C ATOM 404 C ALA A 26 -6.181 0.310 3.852 1.00 0.00 C ATOM 405 O ALA A 26 -6.028 1.386 4.429 1.00 0.00 O ATOM 406 CB ALA A 26 -5.276 -1.861 4.799 1.00 0.00 C ATOM 0 H ALA A 26 -7.467 -2.590 3.902 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.715 -0.591 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.422 -1.307 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.510 -2.687 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.033 -2.254 3.812 1.00 0.00 H new ATOM 412 N TYR A 27 -6.178 0.195 2.513 1.00 0.00 N ATOM 413 CA TYR A 27 -5.978 1.337 1.624 1.00 0.00 C ATOM 414 C TYR A 27 -6.886 2.489 2.017 1.00 0.00 C ATOM 415 O TYR A 27 -6.403 3.575 2.311 1.00 0.00 O ATOM 416 CB TYR A 27 -6.219 0.972 0.149 1.00 0.00 C ATOM 417 CG TYR A 27 -6.041 2.147 -0.802 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.809 2.818 -0.831 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.082 2.573 -1.650 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.593 3.892 -1.712 1.00 0.00 C ATOM 421 CE2 TYR A 27 -6.873 3.645 -2.550 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.622 4.309 -2.586 1.00 0.00 C ATOM 423 OH TYR A 27 -5.391 5.354 -3.435 1.00 0.00 O ATOM 0 H TYR A 27 -6.314 -0.690 2.025 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.937 1.641 1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.532 0.175 -0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.229 0.576 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.016 2.505 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.042 2.080 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.639 4.399 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.668 3.957 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.193 5.522 -3.973 1.00 0.00 H new ATOM 433 N ARG A 28 -8.200 2.263 2.062 1.00 0.00 N ATOM 434 CA ARG A 28 -9.153 3.332 2.334 1.00 0.00 C ATOM 435 C ARG A 28 -8.922 4.002 3.695 1.00 0.00 C ATOM 436 O ARG A 28 -9.127 5.208 3.803 1.00 0.00 O ATOM 437 CB ARG A 28 -10.581 2.793 2.151 1.00 0.00 C ATOM 438 CG ARG A 28 -10.965 2.788 0.659 1.00 0.00 C ATOM 439 CD ARG A 28 -12.448 3.079 0.405 1.00 0.00 C ATOM 440 NE ARG A 28 -12.780 4.517 0.497 1.00 0.00 N ATOM 441 CZ ARG A 28 -12.786 5.382 -0.527 1.00 0.00 C ATOM 442 NH1 ARG A 28 -12.369 4.998 -1.728 1.00 0.00 N ATOM 443 NH2 ARG A 28 -13.222 6.629 -0.379 1.00 0.00 N ATOM 0 H ARG A 28 -8.625 1.348 1.913 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.998 4.135 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.650 1.783 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.284 3.409 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.363 3.531 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.716 1.817 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.720 2.712 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.050 2.526 1.127 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.025 4.882 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.043 4.042 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.375 5.659 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.562 6.946 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.217 7.269 -1.173 1.00 0.00 H new ATOM 457 N LYS A 29 -8.452 3.271 4.712 1.00 0.00 N ATOM 458 CA LYS A 29 -8.130 3.818 6.039 1.00 0.00 C ATOM 459 C LYS A 29 -7.030 4.858 5.895 1.00 0.00 C ATOM 460 O LYS A 29 -7.232 6.042 6.152 1.00 0.00 O ATOM 461 CB LYS A 29 -7.745 2.684 7.027 1.00 0.00 C ATOM 462 CG LYS A 29 -8.996 1.856 7.332 1.00 0.00 C ATOM 463 CD LYS A 29 -8.858 0.389 7.772 1.00 0.00 C ATOM 464 CE LYS A 29 -8.026 0.113 9.030 1.00 0.00 C ATOM 465 NZ LYS A 29 -8.276 -1.249 9.563 1.00 0.00 N ATOM 0 H LYS A 29 -8.281 2.268 4.637 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.009 4.307 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.970 2.052 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.337 3.105 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.548 2.378 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.619 1.869 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.859 -0.011 7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.420 -0.172 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.967 0.225 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.265 0.853 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.697 -1.401 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.282 -1.347 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.025 -1.955 8.842 1.00 0.00 H new ATOM 479 N LEU A 30 -5.860 4.413 5.457 1.00 0.00 N ATOM 480 CA LEU A 30 -4.695 5.292 5.345 1.00 0.00 C ATOM 481 C LEU A 30 -4.905 6.367 4.277 1.00 0.00 C ATOM 482 O LEU A 30 -4.429 7.487 4.435 1.00 0.00 O ATOM 483 CB LEU A 30 -3.396 4.526 5.082 1.00 0.00 C ATOM 484 CG LEU A 30 -2.753 3.788 6.276 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.570 4.678 7.512 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.538 2.533 6.656 1.00 0.00 C ATOM 0 H LEU A 30 -5.688 3.449 5.172 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.592 5.779 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.589 3.794 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.664 5.230 4.687 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.760 3.498 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.114 4.098 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.925 5.521 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.541 5.049 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.053 2.042 7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.555 2.810 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.566 1.850 5.807 1.00 0.00 H new ATOM 498 N ALA A 31 -5.655 6.082 3.213 1.00 0.00 N ATOM 499 CA ALA A 31 -6.011 7.067 2.204 1.00 0.00 C ATOM 500 C ALA A 31 -6.774 8.235 2.827 1.00 0.00 C ATOM 501 O ALA A 31 -6.539 9.373 2.440 1.00 0.00 O ATOM 502 CB ALA A 31 -6.831 6.405 1.092 1.00 0.00 C ATOM 0 H ALA A 31 -6.033 5.153 3.030 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.095 7.467 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.093 7.150 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.243 5.613 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.741 5.980 1.515 1.00 0.00 H new ATOM 508 N LEU A 32 -7.661 7.978 3.795 1.00 0.00 N ATOM 509 CA LEU A 32 -8.367 9.024 4.532 1.00 0.00 C ATOM 510 C LEU A 32 -7.442 9.757 5.505 1.00 0.00 C ATOM 511 O LEU A 32 -7.677 10.932 5.779 1.00 0.00 O ATOM 512 CB LEU A 32 -9.557 8.422 5.299 1.00 0.00 C ATOM 513 CG LEU A 32 -10.734 8.019 4.393 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.724 7.140 5.167 1.00 0.00 C ATOM 515 CD2 LEU A 32 -11.469 9.244 3.848 1.00 0.00 C ATOM 0 H LEU A 32 -7.908 7.033 4.088 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.730 9.749 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.217 7.545 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.907 9.145 6.035 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.322 7.460 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.551 6.862 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.217 6.239 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.108 7.693 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.294 8.921 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.860 9.833 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.778 9.853 3.264 1.00 0.00 H new ATOM 527 N LYS A 33 -6.392 9.108 6.022 1.00 0.00 N ATOM 528 CA LYS A 33 -5.383 9.754 6.850 1.00 0.00 C ATOM 529 C LYS A 33 -4.625 10.765 5.987 1.00 0.00 C ATOM 530 O LYS A 33 -4.759 11.974 6.189 1.00 0.00 O ATOM 531 CB LYS A 33 -4.486 8.680 7.515 1.00 0.00 C ATOM 532 CG LYS A 33 -3.343 9.259 8.363 1.00 0.00 C ATOM 533 CD LYS A 33 -3.840 10.106 9.552 1.00 0.00 C ATOM 534 CE LYS A 33 -3.295 9.646 10.912 1.00 0.00 C ATOM 535 NZ LYS A 33 -1.883 10.012 11.115 1.00 0.00 N ATOM 0 H LYS A 33 -6.223 8.113 5.873 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.830 10.311 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.106 8.043 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.062 8.044 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.728 8.442 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.704 9.874 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.555 11.145 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.929 10.075 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.897 10.086 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.400 8.564 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.568 9.677 12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.300 9.572 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.782 11.046 11.066 1.00 0.00 H new ATOM 549 N TYR A 34 -3.873 10.288 5.000 1.00 0.00 N ATOM 550 CA TYR A 34 -2.986 11.093 4.163 1.00 0.00 C ATOM 551 C TYR A 34 -3.725 11.881 3.067 1.00 0.00 C ATOM 552 O TYR A 34 -3.082 12.396 2.154 1.00 0.00 O ATOM 553 CB TYR A 34 -1.920 10.169 3.558 1.00 0.00 C ATOM 554 CG TYR A 34 -1.061 9.438 4.579 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.064 10.133 5.286 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.228 8.059 4.804 1.00 0.00 C ATOM 557 CE1 TYR A 34 0.809 9.451 6.152 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.381 7.371 5.686 1.00 0.00 C ATOM 559 CZ TYR A 34 0.665 8.055 6.343 1.00 0.00 C ATOM 560 OH TYR A 34 1.546 7.359 7.115 1.00 0.00 O ATOM 0 H TYR A 34 -3.863 9.299 4.752 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.522 11.851 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.414 9.432 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.270 10.760 2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.032 11.202 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.016 7.525 4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.588 9.991 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.529 6.316 5.863 1.00 0.00 H new ATOM 0 HH TYR A 34 1.289 6.413 7.133 1.00 0.00 H new ATOM 570 N HIS A 35 -5.061 11.961 3.111 1.00 0.00 N ATOM 571 CA HIS A 35 -5.861 12.519 2.030 1.00 0.00 C ATOM 572 C HIS A 35 -5.448 13.973 1.752 1.00 0.00 C ATOM 573 O HIS A 35 -5.247 14.707 2.723 1.00 0.00 O ATOM 574 CB HIS A 35 -7.340 12.444 2.452 1.00 0.00 C ATOM 575 CG HIS A 35 -8.286 12.289 1.300 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.267 13.180 0.948 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.317 11.253 0.408 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.856 12.709 -0.157 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.317 11.533 -0.528 1.00 0.00 N ATOM 0 H HIS A 35 -5.614 11.637 3.905 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.705 11.954 1.111 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.472 11.605 3.135 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.598 13.348 3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.684 10.378 0.424 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.658 13.207 -0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.584 10.962 -1.330 1.00 0.00 H new ATOM 587 N PRO A 36 -5.436 14.449 0.490 1.00 0.00 N ATOM 588 CA PRO A 36 -4.804 15.719 0.142 1.00 0.00 C ATOM 589 C PRO A 36 -5.599 16.889 0.707 1.00 0.00 C ATOM 590 O PRO A 36 -5.028 17.796 1.301 1.00 0.00 O ATOM 591 CB PRO A 36 -4.754 15.762 -1.389 1.00 0.00 C ATOM 592 CG PRO A 36 -5.853 14.804 -1.834 1.00 0.00 C ATOM 593 CD PRO A 36 -5.845 13.761 -0.721 1.00 0.00 C ATOM 0 HA PRO A 36 -3.803 15.799 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.931 16.770 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.779 15.449 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.819 15.303 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.638 14.362 -2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.833 13.317 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.157 12.949 -0.956 1.00 0.00 H new ATOM 601 N ASP A 37 -6.923 16.844 0.568 1.00 0.00 N ATOM 602 CA ASP A 37 -7.824 17.942 0.905 1.00 0.00 C ATOM 603 C ASP A 37 -7.760 18.324 2.393 1.00 0.00 C ATOM 604 O ASP A 37 -8.133 19.425 2.801 1.00 0.00 O ATOM 605 CB ASP A 37 -9.243 17.519 0.509 1.00 0.00 C ATOM 606 CG ASP A 37 -10.144 18.737 0.346 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.031 19.390 -0.714 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.994 18.976 1.237 1.00 0.00 O ATOM 0 H ASP A 37 -7.410 16.022 0.209 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.519 18.834 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.213 16.956 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.655 16.855 1.269 1.00 0.00 H new ATOM 613 N LYS A 38 -7.257 17.413 3.233 1.00 0.00 N ATOM 614 CA LYS A 38 -7.148 17.540 4.683 1.00 0.00 C ATOM 615 C LYS A 38 -5.747 17.209 5.189 1.00 0.00 C ATOM 616 O LYS A 38 -5.572 17.104 6.407 1.00 0.00 O ATOM 617 CB LYS A 38 -8.232 16.641 5.303 1.00 0.00 C ATOM 618 CG LYS A 38 -9.591 17.340 5.273 1.00 0.00 C ATOM 619 CD LYS A 38 -9.746 18.416 6.362 1.00 0.00 C ATOM 620 CE LYS A 38 -10.512 19.636 5.838 1.00 0.00 C ATOM 621 NZ LYS A 38 -9.714 20.444 4.888 1.00 0.00 N ATOM 0 H LYS A 38 -6.896 16.520 2.897 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.310 18.575 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.289 15.700 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.965 16.396 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.734 17.800 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.378 16.595 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.272 17.995 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.761 18.726 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.426 19.303 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.811 20.261 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.347 21.060 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.034 21.028 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.199 19.812 4.242 1.00 0.00 H new ATOM 635 N ASN A 39 -4.770 17.026 4.291 1.00 0.00 N ATOM 636 CA ASN A 39 -3.362 16.828 4.618 1.00 0.00 C ATOM 637 C ASN A 39 -2.475 17.017 3.372 1.00 0.00 C ATOM 638 O ASN A 39 -1.742 16.102 2.987 1.00 0.00 O ATOM 639 CB ASN A 39 -3.136 15.448 5.255 1.00 0.00 C ATOM 640 CG ASN A 39 -1.969 15.501 6.219 1.00 0.00 C ATOM 641 OD1 ASN A 39 -2.159 15.431 7.431 1.00 0.00 O ATOM 642 ND2 ASN A 39 -0.766 15.662 5.711 1.00 0.00 N ATOM 0 H ASN A 39 -4.949 17.012 3.287 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.075 17.584 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.037 15.130 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.942 14.708 4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.043 15.732 6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.642 15.716 4.700 1.00 0.00 H new ATOM 649 N PRO A 40 -2.479 18.198 2.732 1.00 0.00 N ATOM 650 CA PRO A 40 -1.861 18.411 1.424 1.00 0.00 C ATOM 651 C PRO A 40 -0.348 18.200 1.456 1.00 0.00 C ATOM 652 O PRO A 40 0.259 17.886 0.434 1.00 0.00 O ATOM 653 CB PRO A 40 -2.224 19.846 1.029 1.00 0.00 C ATOM 654 CG PRO A 40 -2.466 20.546 2.364 1.00 0.00 C ATOM 655 CD PRO A 40 -3.031 19.434 3.248 1.00 0.00 C ATOM 0 HA PRO A 40 -2.227 17.688 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.419 20.322 0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.112 19.874 0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.544 20.957 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.167 21.374 2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.749 19.582 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.120 19.421 3.211 1.00 0.00 H new ATOM 663 N ASN A 41 0.270 18.305 2.636 1.00 0.00 N ATOM 664 CA ASN A 41 1.697 18.090 2.821 1.00 0.00 C ATOM 665 C ASN A 41 2.130 16.644 2.550 1.00 0.00 C ATOM 666 O ASN A 41 3.329 16.368 2.477 1.00 0.00 O ATOM 667 CB ASN A 41 2.081 18.490 4.252 1.00 0.00 C ATOM 668 CG ASN A 41 3.464 19.112 4.254 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.463 18.446 4.492 1.00 0.00 O ATOM 670 ND2 ASN A 41 3.518 20.401 3.961 1.00 0.00 N ATOM 0 H ASN A 41 -0.219 18.545 3.498 1.00 0.00 H new ATOM 0 HA ASN A 41 2.217 18.710 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.353 19.197 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.064 17.615 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.418 20.879 3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.659 20.917 3.769 1.00 0.00 H new ATOM 677 N GLU A 42 1.173 15.717 2.430 1.00 0.00 N ATOM 678 CA GLU A 42 1.382 14.273 2.328 1.00 0.00 C ATOM 679 C GLU A 42 0.748 13.722 1.033 1.00 0.00 C ATOM 680 O GLU A 42 0.677 12.509 0.839 1.00 0.00 O ATOM 681 CB GLU A 42 0.943 13.600 3.655 1.00 0.00 C ATOM 682 CG GLU A 42 2.009 13.942 4.730 1.00 0.00 C ATOM 683 CD GLU A 42 1.686 13.660 6.196 1.00 0.00 C ATOM 684 OE1 GLU A 42 1.737 12.484 6.615 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.522 14.650 6.950 1.00 0.00 O ATOM 0 H GLU A 42 0.185 15.968 2.400 1.00 0.00 H new ATOM 0 HA GLU A 42 2.438 14.025 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.039 13.961 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.860 12.521 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.918 13.395 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.241 15.003 4.640 1.00 0.00 H new ATOM 692 N GLY A 43 0.337 14.602 0.106 1.00 0.00 N ATOM 693 CA GLY A 43 -0.239 14.214 -1.179 1.00 0.00 C ATOM 694 C GLY A 43 0.777 13.584 -2.142 1.00 0.00 C ATOM 695 O GLY A 43 0.385 12.828 -3.035 1.00 0.00 O ATOM 0 H GLY A 43 0.399 15.612 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.050 13.507 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.678 15.093 -1.651 1.00 0.00 H new ATOM 699 N GLU A 44 2.080 13.833 -1.963 1.00 0.00 N ATOM 700 CA GLU A 44 3.125 13.129 -2.704 1.00 0.00 C ATOM 701 C GLU A 44 3.341 11.739 -2.100 1.00 0.00 C ATOM 702 O GLU A 44 3.403 10.764 -2.846 1.00 0.00 O ATOM 703 CB GLU A 44 4.419 13.961 -2.756 1.00 0.00 C ATOM 704 CG GLU A 44 4.400 15.005 -3.879 1.00 0.00 C ATOM 705 CD GLU A 44 4.585 14.369 -5.259 1.00 0.00 C ATOM 706 OE1 GLU A 44 5.751 14.136 -5.660 1.00 0.00 O ATOM 707 OE2 GLU A 44 3.572 14.102 -5.941 1.00 0.00 O ATOM 0 H GLU A 44 2.435 14.525 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 44 2.807 12.993 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.563 14.463 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.270 13.295 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.455 15.547 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.191 15.735 -3.708 1.00 0.00 H new ATOM 714 N LYS A 45 3.352 11.613 -0.766 1.00 0.00 N ATOM 715 CA LYS A 45 3.389 10.324 -0.067 1.00 0.00 C ATOM 716 C LYS A 45 2.243 9.431 -0.529 1.00 0.00 C ATOM 717 O LYS A 45 2.445 8.227 -0.684 1.00 0.00 O ATOM 718 CB LYS A 45 3.301 10.560 1.450 1.00 0.00 C ATOM 719 CG LYS A 45 3.699 9.332 2.281 1.00 0.00 C ATOM 720 CD LYS A 45 3.188 9.421 3.728 1.00 0.00 C ATOM 721 CE LYS A 45 3.527 10.743 4.433 1.00 0.00 C ATOM 722 NZ LYS A 45 4.934 10.824 4.863 1.00 0.00 N ATOM 0 H LYS A 45 3.335 12.414 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 45 4.328 9.821 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.947 11.396 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.282 10.849 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.301 8.433 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.785 9.235 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.106 9.288 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.610 8.597 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.311 11.573 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.880 10.861 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.102 11.737 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.139 10.051 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.556 10.741 4.034 1.00 0.00 H new ATOM 736 N PHE A 46 1.060 10.009 -0.775 1.00 0.00 N ATOM 737 CA PHE A 46 -0.105 9.293 -1.283 1.00 0.00 C ATOM 738 C PHE A 46 0.267 8.441 -2.493 1.00 0.00 C ATOM 739 O PHE A 46 -0.165 7.296 -2.583 1.00 0.00 O ATOM 740 CB PHE A 46 -1.243 10.259 -1.640 1.00 0.00 C ATOM 741 CG PHE A 46 -2.669 9.769 -1.389 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.044 8.415 -1.528 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.666 10.710 -1.074 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.380 8.011 -1.362 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.011 10.308 -0.952 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.371 8.962 -1.094 1.00 0.00 C ATOM 0 H PHE A 46 0.889 11.003 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.458 8.635 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.096 11.180 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.153 10.514 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.292 7.677 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.399 11.746 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.642 6.966 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.773 11.046 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.404 8.661 -0.998 1.00 0.00 H new ATOM 756 N LYS A 47 1.105 8.964 -3.389 1.00 0.00 N ATOM 757 CA LYS A 47 1.542 8.250 -4.578 1.00 0.00 C ATOM 758 C LYS A 47 2.104 6.869 -4.246 1.00 0.00 C ATOM 759 O LYS A 47 1.769 5.907 -4.934 1.00 0.00 O ATOM 760 CB LYS A 47 2.554 9.111 -5.355 1.00 0.00 C ATOM 761 CG LYS A 47 2.428 8.870 -6.858 1.00 0.00 C ATOM 762 CD LYS A 47 3.452 9.687 -7.652 1.00 0.00 C ATOM 763 CE LYS A 47 3.148 9.539 -9.146 1.00 0.00 C ATOM 764 NZ LYS A 47 4.120 10.260 -9.984 1.00 0.00 N ATOM 0 H LYS A 47 1.499 9.901 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 47 0.674 8.075 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.386 10.165 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.567 8.875 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.566 7.810 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.422 9.132 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.407 10.736 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.462 9.339 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.153 8.482 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.145 9.915 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.876 10.132 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.098 11.273 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.074 9.885 -9.810 1.00 0.00 H new ATOM 778 N GLN A 48 2.912 6.734 -3.190 1.00 0.00 N ATOM 779 CA GLN A 48 3.420 5.435 -2.772 1.00 0.00 C ATOM 780 C GLN A 48 2.323 4.530 -2.209 1.00 0.00 C ATOM 781 O GLN A 48 2.482 3.310 -2.279 1.00 0.00 O ATOM 782 CB GLN A 48 4.553 5.594 -1.742 1.00 0.00 C ATOM 783 CG GLN A 48 5.925 5.707 -2.428 1.00 0.00 C ATOM 784 CD GLN A 48 7.029 4.908 -1.736 1.00 0.00 C ATOM 785 OE1 GLN A 48 8.037 5.471 -1.322 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.916 3.591 -1.658 1.00 0.00 N ATOM 0 H GLN A 48 3.226 7.513 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 48 3.814 4.953 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.374 6.482 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.553 4.740 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.834 5.366 -3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.217 6.756 -2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.075 3.130 -2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.670 3.038 -1.251 1.00 0.00 H new ATOM 795 N ILE A 49 1.243 5.078 -1.653 1.00 0.00 N ATOM 796 CA ILE A 49 0.151 4.293 -1.088 1.00 0.00 C ATOM 797 C ILE A 49 -0.600 3.615 -2.236 1.00 0.00 C ATOM 798 O ILE A 49 -0.854 2.410 -2.161 1.00 0.00 O ATOM 799 CB ILE A 49 -0.798 5.151 -0.213 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.058 6.101 0.753 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.709 4.214 0.592 1.00 0.00 C ATOM 802 CD1 ILE A 49 -0.999 6.997 1.568 1.00 0.00 C ATOM 0 H ILE A 49 1.102 6.086 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 49 0.564 3.537 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.373 5.784 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.551 5.509 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.625 6.729 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.382 4.806 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.293 3.598 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.100 3.572 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.412 7.638 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.590 7.614 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.665 6.376 2.167 1.00 0.00 H new ATOM 814 N SER A 50 -0.940 4.370 -3.288 1.00 0.00 N ATOM 815 CA SER A 50 -1.541 3.822 -4.495 1.00 0.00 C ATOM 816 C SER A 50 -0.592 2.776 -5.074 1.00 0.00 C ATOM 817 O SER A 50 -0.943 1.603 -5.127 1.00 0.00 O ATOM 818 CB SER A 50 -1.883 4.920 -5.518 1.00 0.00 C ATOM 819 OG SER A 50 -1.486 6.223 -5.130 1.00 0.00 O ATOM 0 H SER A 50 -0.803 5.380 -3.319 1.00 0.00 H new ATOM 0 HA SER A 50 -2.491 3.349 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.407 4.676 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.959 4.917 -5.690 1.00 0.00 H new ATOM 0 HG SER A 50 -0.509 6.262 -5.067 1.00 0.00 H new ATOM 825 N GLN A 51 0.646 3.171 -5.399 1.00 0.00 N ATOM 826 CA GLN A 51 1.665 2.324 -6.006 1.00 0.00 C ATOM 827 C GLN A 51 1.851 1.005 -5.255 1.00 0.00 C ATOM 828 O GLN A 51 2.122 -0.009 -5.892 1.00 0.00 O ATOM 829 CB GLN A 51 2.977 3.128 -6.023 1.00 0.00 C ATOM 830 CG GLN A 51 4.082 2.566 -6.916 1.00 0.00 C ATOM 831 CD GLN A 51 3.969 3.115 -8.331 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.255 4.284 -8.567 1.00 0.00 O ATOM 833 NE2 GLN A 51 3.533 2.321 -9.285 1.00 0.00 N ATOM 0 H GLN A 51 0.971 4.124 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 51 1.355 2.053 -7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.755 4.145 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.356 3.193 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.056 2.821 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.019 1.478 -6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.299 1.351 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.429 2.675 -10.236 1.00 0.00 H new ATOM 842 N ALA A 52 1.723 1.006 -3.926 1.00 0.00 N ATOM 843 CA ALA A 52 1.744 -0.201 -3.123 1.00 0.00 C ATOM 844 C ALA A 52 0.497 -1.039 -3.390 1.00 0.00 C ATOM 845 O ALA A 52 0.615 -2.159 -3.880 1.00 0.00 O ATOM 846 CB ALA A 52 1.871 0.168 -1.636 1.00 0.00 C ATOM 0 H ALA A 52 1.601 1.858 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 52 2.609 -0.805 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.886 -0.742 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.795 0.724 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.022 0.784 -1.340 1.00 0.00 H new ATOM 852 N TYR A 53 -0.697 -0.535 -3.079 1.00 0.00 N ATOM 853 CA TYR A 53 -1.922 -1.315 -3.232 1.00 0.00 C ATOM 854 C TYR A 53 -2.144 -1.782 -4.679 1.00 0.00 C ATOM 855 O TYR A 53 -2.812 -2.792 -4.884 1.00 0.00 O ATOM 856 CB TYR A 53 -3.100 -0.485 -2.719 1.00 0.00 C ATOM 857 CG TYR A 53 -4.470 -1.133 -2.836 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.716 -2.449 -2.384 1.00 0.00 C ATOM 859 CD2 TYR A 53 -5.511 -0.397 -3.422 1.00 0.00 C ATOM 860 CE1 TYR A 53 -6.006 -3.003 -2.480 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.800 -0.941 -3.523 1.00 0.00 C ATOM 862 CZ TYR A 53 -7.054 -2.249 -3.063 1.00 0.00 C ATOM 863 OH TYR A 53 -8.293 -2.783 -3.246 1.00 0.00 O ATOM 0 H TYR A 53 -0.841 0.409 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.833 -2.226 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.921 -0.245 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.118 0.459 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.910 -3.032 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.318 0.597 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.196 -4.000 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.599 -0.357 -3.954 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.879 -2.115 -3.658 1.00 0.00 H new ATOM 873 N GLU A 54 -1.541 -1.110 -5.658 1.00 0.00 N ATOM 874 CA GLU A 54 -1.649 -1.402 -7.086 1.00 0.00 C ATOM 875 C GLU A 54 -0.811 -2.625 -7.491 1.00 0.00 C ATOM 876 O GLU A 54 -0.848 -3.062 -8.637 1.00 0.00 O ATOM 877 CB GLU A 54 -1.139 -0.176 -7.850 1.00 0.00 C ATOM 878 CG GLU A 54 -1.597 -0.092 -9.308 1.00 0.00 C ATOM 879 CD GLU A 54 -2.938 0.633 -9.456 1.00 0.00 C ATOM 880 OE1 GLU A 54 -3.948 0.213 -8.849 1.00 0.00 O ATOM 881 OE2 GLU A 54 -3.017 1.654 -10.185 1.00 0.00 O ATOM 0 H GLU A 54 -0.936 -0.311 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.690 -1.625 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.468 0.723 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.049 -0.178 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.839 0.427 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.684 -1.098 -9.718 1.00 0.00 H new ATOM 888 N VAL A 55 0.018 -3.145 -6.589 1.00 0.00 N ATOM 889 CA VAL A 55 0.711 -4.425 -6.775 1.00 0.00 C ATOM 890 C VAL A 55 -0.139 -5.517 -6.153 1.00 0.00 C ATOM 891 O VAL A 55 -0.385 -6.555 -6.759 1.00 0.00 O ATOM 892 CB VAL A 55 2.123 -4.417 -6.155 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.023 -5.512 -6.740 1.00 0.00 C ATOM 894 CG2 VAL A 55 2.757 -3.050 -6.346 1.00 0.00 C ATOM 0 H VAL A 55 0.232 -2.690 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 55 0.844 -4.604 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 55 2.019 -4.628 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.006 -5.464 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.578 -6.489 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.126 -5.362 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.755 -3.047 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.828 -2.828 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.143 -2.293 -5.858 1.00 0.00 H new ATOM 904 N LEU A 56 -0.587 -5.293 -4.920 1.00 0.00 N ATOM 905 CA LEU A 56 -1.298 -6.317 -4.189 1.00 0.00 C ATOM 906 C LEU A 56 -2.722 -6.517 -4.719 1.00 0.00 C ATOM 907 O LEU A 56 -3.308 -7.556 -4.437 1.00 0.00 O ATOM 908 CB LEU A 56 -1.263 -5.990 -2.693 1.00 0.00 C ATOM 909 CG LEU A 56 0.147 -5.858 -2.070 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.163 -6.925 -2.496 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.782 -4.479 -2.088 1.00 0.00 C ATOM 0 H LEU A 56 -0.467 -4.414 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.797 -7.273 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.801 -5.056 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.806 -6.768 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.108 -6.050 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.116 -6.738 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.795 -7.911 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.301 -6.885 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.766 -4.526 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.884 -4.139 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.152 -3.781 -1.537 1.00 0.00 H new ATOM 923 N SER A 57 -3.273 -5.571 -5.486 1.00 0.00 N ATOM 924 CA SER A 57 -4.602 -5.645 -6.090 1.00 0.00 C ATOM 925 C SER A 57 -4.701 -6.572 -7.309 1.00 0.00 C ATOM 926 O SER A 57 -5.803 -6.708 -7.849 1.00 0.00 O ATOM 927 CB SER A 57 -5.072 -4.235 -6.467 1.00 0.00 C ATOM 928 OG SER A 57 -5.570 -3.581 -5.329 1.00 0.00 O ATOM 0 H SER A 57 -2.786 -4.703 -5.710 1.00 0.00 H new ATOM 0 HA SER A 57 -5.251 -6.087 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.244 -3.667 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.845 -4.292 -7.233 1.00 0.00 H new ATOM 0 HG SER A 57 -4.828 -3.355 -4.730 1.00 0.00 H new ATOM 934 N ASP A 58 -3.628 -7.233 -7.753 1.00 0.00 N ATOM 935 CA ASP A 58 -3.725 -8.184 -8.856 1.00 0.00 C ATOM 936 C ASP A 58 -2.925 -9.422 -8.537 1.00 0.00 C ATOM 937 O ASP A 58 -1.813 -9.301 -8.026 1.00 0.00 O ATOM 938 CB ASP A 58 -3.210 -7.577 -10.163 1.00 0.00 C ATOM 939 CG ASP A 58 -4.044 -8.155 -11.295 1.00 0.00 C ATOM 940 OD1 ASP A 58 -3.864 -9.356 -11.588 1.00 0.00 O ATOM 941 OD2 ASP A 58 -4.933 -7.425 -11.792 1.00 0.00 O ATOM 0 H ASP A 58 -2.690 -7.126 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.777 -8.440 -8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.295 -6.491 -10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.155 -7.812 -10.305 1.00 0.00 H new ATOM 946 N ALA A 59 -3.438 -10.605 -8.878 1.00 0.00 N ATOM 947 CA ALA A 59 -2.660 -11.824 -8.745 1.00 0.00 C ATOM 948 C ALA A 59 -1.449 -11.761 -9.679 1.00 0.00 C ATOM 949 O ALA A 59 -0.349 -12.104 -9.262 1.00 0.00 O ATOM 950 CB ALA A 59 -3.530 -13.056 -9.021 1.00 0.00 C ATOM 0 H ALA A 59 -4.381 -10.738 -9.244 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.298 -11.913 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.927 -13.958 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.355 -13.086 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.927 -13.001 -10.035 1.00 0.00 H new ATOM 956 N LYS A 60 -1.586 -11.265 -10.914 1.00 0.00 N ATOM 957 CA LYS A 60 -0.477 -11.166 -11.858 1.00 0.00 C ATOM 958 C LYS A 60 0.652 -10.290 -11.330 1.00 0.00 C ATOM 959 O LYS A 60 1.800 -10.510 -11.716 1.00 0.00 O ATOM 960 CB LYS A 60 -1.011 -10.623 -13.194 1.00 0.00 C ATOM 961 CG LYS A 60 -1.297 -11.734 -14.217 1.00 0.00 C ATOM 962 CD LYS A 60 -0.033 -12.100 -15.009 1.00 0.00 C ATOM 963 CE LYS A 60 -0.279 -13.261 -15.978 1.00 0.00 C ATOM 964 NZ LYS A 60 -1.156 -12.893 -17.111 1.00 0.00 N ATOM 0 H LYS A 60 -2.472 -10.921 -11.284 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.054 -12.160 -12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.926 -10.059 -13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.285 -9.927 -13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.675 -12.617 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.078 -11.407 -14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.310 -11.229 -15.567 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.764 -12.369 -14.316 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.677 -13.612 -16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.727 -14.092 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.286 -13.717 -17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.080 -12.584 -16.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.719 -12.119 -17.651 1.00 0.00 H new ATOM 978 N LYS A 61 0.369 -9.297 -10.483 1.00 0.00 N ATOM 979 CA LYS A 61 1.416 -8.498 -9.852 1.00 0.00 C ATOM 980 C LYS A 61 1.869 -9.165 -8.552 1.00 0.00 C ATOM 981 O LYS A 61 3.073 -9.348 -8.373 1.00 0.00 O ATOM 982 CB LYS A 61 0.961 -7.041 -9.662 1.00 0.00 C ATOM 983 CG LYS A 61 0.667 -6.315 -10.988 1.00 0.00 C ATOM 984 CD LYS A 61 1.004 -4.816 -10.982 1.00 0.00 C ATOM 985 CE LYS A 61 2.505 -4.511 -11.067 1.00 0.00 C ATOM 986 NZ LYS A 61 3.049 -4.656 -12.435 1.00 0.00 N ATOM 0 H LYS A 61 -0.579 -9.029 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 61 2.285 -8.454 -10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.065 -7.026 -9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.733 -6.495 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.232 -6.798 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.389 -6.436 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.499 -4.338 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.604 -4.368 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.684 -3.494 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.044 -5.179 -10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.066 -4.437 -12.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.907 -5.632 -12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.557 -4.000 -13.075 1.00 0.00 H new ATOM 1000 N ARG A 62 0.946 -9.563 -7.666 1.00 0.00 N ATOM 1001 CA ARG A 62 1.284 -10.201 -6.387 1.00 0.00 C ATOM 1002 C ARG A 62 2.117 -11.483 -6.567 1.00 0.00 C ATOM 1003 O ARG A 62 2.952 -11.773 -5.712 1.00 0.00 O ATOM 1004 CB ARG A 62 0.022 -10.437 -5.526 1.00 0.00 C ATOM 1005 CG ARG A 62 0.406 -11.046 -4.160 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.543 -10.808 -2.980 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.260 -11.794 -1.910 1.00 0.00 N ATOM 1008 CZ ARG A 62 -0.803 -13.018 -1.832 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -1.957 -13.290 -2.431 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -0.186 -13.972 -1.148 1.00 0.00 N ATOM 0 H ARG A 62 -0.057 -9.451 -7.816 1.00 0.00 H new ATOM 0 HA ARG A 62 1.922 -9.505 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.504 -9.494 -5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.663 -11.105 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.514 -12.123 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.387 -10.659 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.418 -9.795 -2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.578 -10.899 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 62 0.397 -11.521 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.441 -12.564 -2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.359 -14.225 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.700 -13.774 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.597 -14.903 -1.087 1.00 0.00 H new ATOM 1024 N GLU A 63 1.930 -12.239 -7.649 1.00 0.00 N ATOM 1025 CA GLU A 63 2.731 -13.421 -7.973 1.00 0.00 C ATOM 1026 C GLU A 63 4.199 -13.032 -8.099 1.00 0.00 C ATOM 1027 O GLU A 63 5.051 -13.604 -7.426 1.00 0.00 O ATOM 1028 CB GLU A 63 2.241 -14.055 -9.289 1.00 0.00 C ATOM 1029 CG GLU A 63 0.973 -14.904 -9.124 1.00 0.00 C ATOM 1030 CD GLU A 63 1.266 -16.348 -8.715 1.00 0.00 C ATOM 1031 OE1 GLU A 63 1.927 -16.576 -7.675 1.00 0.00 O ATOM 1032 OE2 GLU A 63 0.748 -17.270 -9.392 1.00 0.00 O ATOM 0 H GLU A 63 1.204 -12.044 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 63 2.621 -14.151 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.048 -13.264 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.035 -14.678 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.330 -14.444 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.418 -14.904 -10.062 1.00 0.00 H new ATOM 1039 N LEU A 64 4.511 -12.058 -8.955 1.00 0.00 N ATOM 1040 CA LEU A 64 5.901 -11.727 -9.249 1.00 0.00 C ATOM 1041 C LEU A 64 6.567 -11.062 -8.050 1.00 0.00 C ATOM 1042 O LEU A 64 7.744 -11.305 -7.792 1.00 0.00 O ATOM 1043 CB LEU A 64 5.999 -10.838 -10.495 1.00 0.00 C ATOM 1044 CG LEU A 64 6.101 -11.666 -11.787 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.852 -12.501 -12.089 1.00 0.00 C ATOM 1046 CD2 LEU A 64 6.401 -10.717 -12.936 1.00 0.00 C ATOM 0 H LEU A 64 3.825 -11.490 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 64 6.433 -12.656 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.124 -10.190 -10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.871 -10.190 -10.410 1.00 0.00 H new ATOM 0 HG LEU A 64 6.904 -12.391 -11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.001 -13.056 -13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.675 -13.200 -11.271 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.991 -11.842 -12.196 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.478 -11.283 -13.865 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.598 -9.985 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.343 -10.202 -12.746 1.00 0.00 H new ATOM 1058 N TYR A 65 5.806 -10.244 -7.323 1.00 0.00 N ATOM 1059 CA TYR A 65 6.134 -9.642 -6.034 1.00 0.00 C ATOM 1060 C TYR A 65 6.539 -10.680 -4.984 1.00 0.00 C ATOM 1061 O TYR A 65 7.341 -10.368 -4.102 1.00 0.00 O ATOM 1062 CB TYR A 65 4.904 -8.845 -5.591 1.00 0.00 C ATOM 1063 CG TYR A 65 4.881 -8.375 -4.151 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.583 -7.217 -3.781 1.00 0.00 C ATOM 1065 CD2 TYR A 65 4.152 -9.095 -3.187 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.536 -6.757 -2.455 1.00 0.00 C ATOM 1067 CE2 TYR A 65 4.097 -8.642 -1.857 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.774 -7.454 -1.492 1.00 0.00 C ATOM 1069 OH TYR A 65 4.674 -6.958 -0.230 1.00 0.00 O ATOM 0 H TYR A 65 4.879 -9.966 -7.644 1.00 0.00 H new ATOM 0 HA TYR A 65 7.003 -8.993 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.815 -7.971 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.020 -9.460 -5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.161 -6.679 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.633 -9.999 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.083 -5.870 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.541 -9.198 -1.117 1.00 0.00 H new ATOM 0 HH TYR A 65 3.970 -7.438 0.255 1.00 0.00 H new ATOM 1079 N ASP A 66 6.024 -11.909 -5.070 1.00 0.00 N ATOM 1080 CA ASP A 66 6.351 -12.954 -4.107 1.00 0.00 C ATOM 1081 C ASP A 66 7.842 -13.271 -4.125 1.00 0.00 C ATOM 1082 O ASP A 66 8.471 -13.391 -3.072 1.00 0.00 O ATOM 1083 CB ASP A 66 5.553 -14.227 -4.397 1.00 0.00 C ATOM 1084 CG ASP A 66 5.703 -15.247 -3.275 1.00 0.00 C ATOM 1085 OD1 ASP A 66 5.330 -14.925 -2.122 1.00 0.00 O ATOM 1086 OD2 ASP A 66 6.124 -16.390 -3.556 1.00 0.00 O ATOM 0 H ASP A 66 5.376 -12.202 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 66 6.084 -12.583 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.500 -13.977 -4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.892 -14.665 -5.336 1.00 0.00 H new ATOM 1091 N LYS A 67 8.409 -13.346 -5.329 1.00 0.00 N ATOM 1092 CA LYS A 67 9.766 -13.781 -5.619 1.00 0.00 C ATOM 1093 C LYS A 67 10.329 -12.932 -6.758 1.00 0.00 C ATOM 1094 O LYS A 67 10.513 -13.434 -7.866 1.00 0.00 O ATOM 1095 CB LYS A 67 9.755 -15.288 -5.942 1.00 0.00 C ATOM 1096 CG LYS A 67 8.612 -15.732 -6.882 1.00 0.00 C ATOM 1097 CD LYS A 67 9.036 -16.818 -7.874 1.00 0.00 C ATOM 1098 CE LYS A 67 9.596 -16.180 -9.153 1.00 0.00 C ATOM 1099 NZ LYS A 67 10.138 -17.167 -10.110 1.00 0.00 N ATOM 0 H LYS A 67 7.899 -13.089 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 67 10.418 -13.641 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.708 -15.556 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.679 -15.846 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.780 -16.101 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.247 -14.866 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.790 -17.461 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.183 -17.451 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.807 -15.607 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.383 -15.475 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.500 -16.673 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.911 -17.698 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.385 -17.826 -10.393 1.00 0.00 H new