USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 543 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 43 HIS : no HD1:sc= 1.17 K(o=2.4,f=-6!) USER MOD Set 1.2: A 44 SER OG : rot -66:sc= 1.23 USER MOD Set 2.1: A 23 GLN : amide:sc= -1.21 K(o=-1.2,f=-5!) USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.23 (180deg=1.11) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.2) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.84) USER MOD Single : A 12 TYR OH : rot 150:sc= -0.622 USER MOD Single : A 13 ASN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 14 SER OG : rot -0:sc= 0.238 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc=-0.000212 (180deg=-0.116) USER MOD Single : A 17 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.997 X(o=-1,f=-0.73) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0174 (180deg=-0.26) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.61 K(o=-1.6,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.0372 X(o=0.037,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.832 11.014 5.012 1.00 40.31 N ATOM 2 CA MET A 1 5.239 12.294 4.604 1.00 61.43 C ATOM 3 C MET A 1 3.769 12.379 5.028 1.00 1.22 C ATOM 4 O MET A 1 3.436 13.079 5.980 1.00 22.41 O ATOM 5 CB MET A 1 5.378 12.502 3.091 1.00 63.12 C ATOM 6 CG MET A 1 4.756 13.790 2.583 1.00 74.22 C ATOM 7 SD MET A 1 4.880 13.959 0.796 1.00 13.22 S ATOM 8 CE MET A 1 4.051 15.525 0.569 1.00 71.03 C ATOM 0 H1 MET A 1 6.795 10.939 4.626 1.00 40.31 H new ATOM 0 H2 MET A 1 5.870 10.964 6.050 1.00 40.31 H new ATOM 0 H3 MET A 1 5.251 10.231 4.649 1.00 40.31 H new ATOM 0 HA MET A 1 5.784 13.091 5.110 1.00 61.43 H new ATOM 0 HB2 MET A 1 6.436 12.494 2.830 1.00 63.12 H new ATOM 0 HB3 MET A 1 4.916 11.660 2.575 1.00 63.12 H new ATOM 0 HG2 MET A 1 3.707 13.823 2.876 1.00 74.22 H new ATOM 0 HG3 MET A 1 5.246 14.639 3.060 1.00 74.22 H new ATOM 0 HE1 MET A 1 4.040 15.780 -0.491 1.00 71.03 H new ATOM 0 HE2 MET A 1 3.027 15.451 0.935 1.00 71.03 H new ATOM 0 HE3 MET A 1 4.580 16.300 1.123 1.00 71.03 H new ATOM 20 N ALA A 2 2.901 11.660 4.337 1.00 2.43 N ATOM 21 CA ALA A 2 1.484 11.679 4.642 1.00 25.21 C ATOM 22 C ALA A 2 1.146 10.500 5.527 1.00 45.54 C ATOM 23 O ALA A 2 1.345 9.351 5.134 1.00 4.41 O ATOM 24 CB ALA A 2 0.678 11.646 3.358 1.00 51.00 C ATOM 0 H ALA A 2 3.156 11.054 3.558 1.00 2.43 H new ATOM 0 HA ALA A 2 1.233 12.597 5.174 1.00 25.21 H new ATOM 0 HB1 ALA A 2 -0.386 11.660 3.596 1.00 51.00 H new ATOM 0 HB2 ALA A 2 0.926 12.516 2.750 1.00 51.00 H new ATOM 0 HB3 ALA A 2 0.914 10.737 2.804 1.00 51.00 H new ATOM 30 N THR A 3 0.646 10.789 6.702 1.00 31.43 N ATOM 31 CA THR A 3 0.368 9.787 7.707 1.00 52.45 C ATOM 32 C THR A 3 -1.096 9.329 7.687 1.00 54.11 C ATOM 33 O THR A 3 -1.999 10.144 7.497 1.00 44.35 O ATOM 34 CB THR A 3 0.709 10.362 9.096 1.00 61.21 C ATOM 35 OG1 THR A 3 -0.008 11.607 9.287 1.00 75.13 O ATOM 36 CG2 THR A 3 2.203 10.624 9.232 1.00 62.11 C ATOM 0 H THR A 3 0.417 11.739 6.994 1.00 31.43 H new ATOM 0 HA THR A 3 0.983 8.914 7.487 1.00 52.45 H new ATOM 0 HB THR A 3 0.415 9.632 9.850 1.00 61.21 H new ATOM 0 HG1 THR A 3 0.205 11.975 10.170 1.00 75.13 H new ATOM 0 HG21 THR A 3 2.413 11.029 10.222 1.00 62.11 H new ATOM 0 HG22 THR A 3 2.750 9.691 9.099 1.00 62.11 H new ATOM 0 HG23 THR A 3 2.517 11.340 8.473 1.00 62.11 H new ATOM 44 N ASN A 4 -1.307 8.018 7.883 1.00 44.24 N ATOM 45 CA ASN A 4 -2.658 7.397 7.944 1.00 52.24 C ATOM 46 C ASN A 4 -3.566 7.789 6.791 1.00 12.44 C ATOM 47 O ASN A 4 -4.488 8.592 6.935 1.00 63.25 O ATOM 48 CB ASN A 4 -3.381 7.568 9.308 1.00 33.04 C ATOM 49 CG ASN A 4 -2.759 6.768 10.447 1.00 53.22 C ATOM 50 OD1 ASN A 4 -3.124 5.612 10.691 1.00 70.31 O ATOM 51 ND2 ASN A 4 -1.845 7.361 11.164 1.00 71.13 N ATOM 0 H ASN A 4 -0.548 7.348 8.005 1.00 44.24 H new ATOM 0 HA ASN A 4 -2.447 6.333 7.838 1.00 52.24 H new ATOM 0 HB2 ASN A 4 -3.380 8.624 9.577 1.00 33.04 H new ATOM 0 HB3 ASN A 4 -4.423 7.269 9.195 1.00 33.04 H new ATOM 0 HD21 ASN A 4 -1.413 6.870 11.947 1.00 71.13 H new ATOM 0 HD22 ASN A 4 -1.562 8.315 10.941 1.00 71.13 H new ATOM 58 N ILE A 5 -3.263 7.271 5.659 1.00 33.52 N ATOM 59 CA ILE A 5 -4.019 7.491 4.450 1.00 52.43 C ATOM 60 C ILE A 5 -5.054 6.407 4.282 1.00 31.44 C ATOM 61 O ILE A 5 -4.864 5.284 4.738 1.00 54.21 O ATOM 62 CB ILE A 5 -3.079 7.460 3.228 1.00 34.11 C ATOM 63 CG1 ILE A 5 -2.033 8.540 3.365 1.00 50.11 C ATOM 64 CG2 ILE A 5 -3.841 7.579 1.898 1.00 72.15 C ATOM 65 CD1 ILE A 5 -1.099 8.605 2.211 1.00 51.45 C ATOM 0 H ILE A 5 -2.457 6.659 5.528 1.00 33.52 H new ATOM 0 HA ILE A 5 -4.507 8.463 4.522 1.00 52.43 H new ATOM 0 HB ILE A 5 -2.586 6.488 3.206 1.00 34.11 H new ATOM 0 HG12 ILE A 5 -2.529 9.504 3.477 1.00 50.11 H new ATOM 0 HG13 ILE A 5 -1.461 8.368 4.277 1.00 50.11 H new ATOM 0 HG21 ILE A 5 -3.133 7.552 1.069 1.00 72.15 H new ATOM 0 HG22 ILE A 5 -4.541 6.749 1.804 1.00 72.15 H new ATOM 0 HG23 ILE A 5 -4.390 8.521 1.876 1.00 72.15 H new ATOM 0 HD11 ILE A 5 -0.374 9.402 2.374 1.00 51.45 H new ATOM 0 HD12 ILE A 5 -0.576 7.654 2.112 1.00 51.45 H new ATOM 0 HD13 ILE A 5 -1.661 8.807 1.299 1.00 51.45 H new ATOM 77 N VAL A 6 -6.124 6.752 3.637 1.00 34.00 N ATOM 78 CA VAL A 6 -7.160 5.827 3.321 1.00 25.21 C ATOM 79 C VAL A 6 -6.931 5.229 1.960 1.00 35.01 C ATOM 80 O VAL A 6 -6.487 5.911 1.021 1.00 21.42 O ATOM 81 CB VAL A 6 -8.546 6.512 3.318 1.00 53.23 C ATOM 82 CG1 VAL A 6 -9.618 5.590 2.730 1.00 61.35 C ATOM 83 CG2 VAL A 6 -8.920 6.937 4.721 1.00 21.50 C ATOM 0 H VAL A 6 -6.303 7.702 3.311 1.00 34.00 H new ATOM 0 HA VAL A 6 -7.141 5.051 4.086 1.00 25.21 H new ATOM 0 HB VAL A 6 -8.487 7.398 2.686 1.00 53.23 H new ATOM 0 HG11 VAL A 6 -10.582 6.099 2.741 1.00 61.35 H new ATOM 0 HG12 VAL A 6 -9.355 5.334 1.704 1.00 61.35 H new ATOM 0 HG13 VAL A 6 -9.682 4.680 3.326 1.00 61.35 H new ATOM 0 HG21 VAL A 6 -9.898 7.418 4.707 1.00 21.50 H new ATOM 0 HG22 VAL A 6 -8.956 6.061 5.369 1.00 21.50 H new ATOM 0 HG23 VAL A 6 -8.176 7.638 5.099 1.00 21.50 H new ATOM 93 N GLY A 7 -7.177 3.977 1.865 1.00 14.32 N ATOM 94 CA GLY A 7 -7.215 3.344 0.622 1.00 44.33 C ATOM 95 C GLY A 7 -7.641 1.941 0.725 1.00 61.23 C ATOM 96 O GLY A 7 -7.959 1.449 1.796 1.00 31.44 O ATOM 0 H GLY A 7 -7.358 3.365 2.661 1.00 14.32 H new ATOM 0 HA2 GLY A 7 -7.897 3.881 -0.037 1.00 44.33 H new ATOM 0 HA3 GLY A 7 -6.227 3.389 0.163 1.00 44.33 H new ATOM 100 N LYS A 8 -7.708 1.330 -0.374 1.00 53.41 N ATOM 101 CA LYS A 8 -8.025 -0.042 -0.498 1.00 1.00 C ATOM 102 C LYS A 8 -7.024 -0.690 -1.436 1.00 32.52 C ATOM 103 O LYS A 8 -6.578 -0.062 -2.398 1.00 72.33 O ATOM 104 CB LYS A 8 -9.443 -0.165 -1.023 1.00 4.20 C ATOM 105 CG LYS A 8 -9.903 -1.574 -1.306 1.00 72.32 C ATOM 106 CD LYS A 8 -11.359 -1.592 -1.718 1.00 41.13 C ATOM 107 CE LYS A 8 -12.264 -1.221 -0.554 1.00 13.31 C ATOM 108 NZ LYS A 8 -13.664 -1.069 -0.965 1.00 34.10 N ATOM 0 H LYS A 8 -7.536 1.786 -1.270 1.00 53.41 H new ATOM 0 HA LYS A 8 -7.969 -0.550 0.465 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -10.122 0.283 -0.298 1.00 4.20 H new ATOM 0 HB3 LYS A 8 -9.526 0.418 -1.940 1.00 4.20 H new ATOM 0 HG2 LYS A 8 -9.291 -2.009 -2.096 1.00 72.32 H new ATOM 0 HG3 LYS A 8 -9.764 -2.192 -0.419 1.00 72.32 H new ATOM 0 HD2 LYS A 8 -11.516 -0.894 -2.541 1.00 41.13 H new ATOM 0 HD3 LYS A 8 -11.623 -2.583 -2.086 1.00 41.13 H new ATOM 0 HE2 LYS A 8 -12.195 -1.989 0.216 1.00 13.31 H new ATOM 0 HE3 LYS A 8 -11.915 -0.290 -0.108 1.00 13.31 H new ATOM 0 HZ1 LYS A 8 -14.219 -0.686 -0.173 1.00 34.10 H new ATOM 0 HZ2 LYS A 8 -13.720 -0.418 -1.774 1.00 34.10 H new ATOM 0 HZ3 LYS A 8 -14.048 -1.996 -1.240 1.00 34.10 H new ATOM 122 N VAL A 9 -6.644 -1.916 -1.135 1.00 43.35 N ATOM 123 CA VAL A 9 -5.702 -2.649 -1.951 1.00 43.54 C ATOM 124 C VAL A 9 -6.276 -2.806 -3.356 1.00 13.24 C ATOM 125 O VAL A 9 -7.266 -3.515 -3.578 1.00 32.23 O ATOM 126 CB VAL A 9 -5.332 -4.032 -1.328 1.00 51.04 C ATOM 127 CG1 VAL A 9 -4.286 -4.762 -2.165 1.00 40.50 C ATOM 128 CG2 VAL A 9 -4.828 -3.858 0.095 1.00 51.41 C ATOM 0 H VAL A 9 -6.980 -2.429 -0.320 1.00 43.35 H new ATOM 0 HA VAL A 9 -4.772 -2.083 -2.001 1.00 43.54 H new ATOM 0 HB VAL A 9 -6.238 -4.638 -1.315 1.00 51.04 H new ATOM 0 HG11 VAL A 9 -4.053 -5.720 -1.701 1.00 40.50 H new ATOM 0 HG12 VAL A 9 -4.676 -4.930 -3.169 1.00 40.50 H new ATOM 0 HG13 VAL A 9 -3.381 -4.158 -2.224 1.00 40.50 H new ATOM 0 HG21 VAL A 9 -4.575 -4.832 0.513 1.00 51.41 H new ATOM 0 HG22 VAL A 9 -3.942 -3.223 0.092 1.00 51.41 H new ATOM 0 HG23 VAL A 9 -5.605 -3.393 0.702 1.00 51.41 H new ATOM 138 N LYS A 10 -5.660 -2.093 -4.266 1.00 73.22 N ATOM 139 CA LYS A 10 -6.052 -1.985 -5.662 1.00 12.02 C ATOM 140 C LYS A 10 -5.816 -3.330 -6.339 1.00 51.22 C ATOM 141 O LYS A 10 -6.624 -3.785 -7.155 1.00 33.51 O ATOM 142 CB LYS A 10 -5.174 -0.888 -6.263 1.00 62.21 C ATOM 143 CG LYS A 10 -5.439 -0.439 -7.676 1.00 71.11 C ATOM 144 CD LYS A 10 -4.403 0.621 -8.029 1.00 13.54 C ATOM 145 CE LYS A 10 -4.582 1.224 -9.396 1.00 64.42 C ATOM 146 NZ LYS A 10 -5.818 2.027 -9.515 1.00 51.22 N ATOM 0 H LYS A 10 -4.829 -1.542 -4.049 1.00 73.22 H new ATOM 0 HA LYS A 10 -7.105 -1.733 -5.791 1.00 12.02 H new ATOM 0 HB2 LYS A 10 -5.252 -0.013 -5.618 1.00 62.21 H new ATOM 0 HB3 LYS A 10 -4.140 -1.229 -6.214 1.00 62.21 H new ATOM 0 HG2 LYS A 10 -5.373 -1.282 -8.364 1.00 71.11 H new ATOM 0 HG3 LYS A 10 -6.447 -0.033 -7.765 1.00 71.11 H new ATOM 0 HD2 LYS A 10 -4.444 1.416 -7.285 1.00 13.54 H new ATOM 0 HD3 LYS A 10 -3.409 0.177 -7.967 1.00 13.54 H new ATOM 0 HE2 LYS A 10 -3.722 1.854 -9.625 1.00 64.42 H new ATOM 0 HE3 LYS A 10 -4.600 0.427 -10.139 1.00 64.42 H new ATOM 0 HZ1 LYS A 10 -6.013 2.217 -10.519 1.00 51.22 H new ATOM 0 HZ2 LYS A 10 -6.614 1.502 -9.101 1.00 51.22 H new ATOM 0 HZ3 LYS A 10 -5.697 2.927 -9.009 1.00 51.22 H new ATOM 160 N TRP A 11 -4.698 -3.936 -5.986 1.00 14.12 N ATOM 161 CA TRP A 11 -4.308 -5.282 -6.386 1.00 44.23 C ATOM 162 C TRP A 11 -3.010 -5.611 -5.735 1.00 20.25 C ATOM 163 O TRP A 11 -2.296 -4.706 -5.306 1.00 73.13 O ATOM 164 CB TRP A 11 -4.238 -5.507 -7.916 1.00 31.13 C ATOM 165 CG TRP A 11 -3.314 -4.619 -8.696 1.00 14.42 C ATOM 166 CD1 TRP A 11 -3.624 -3.449 -9.323 1.00 62.13 C ATOM 167 CD2 TRP A 11 -1.939 -4.858 -8.958 1.00 1.42 C ATOM 168 NE1 TRP A 11 -2.514 -2.953 -9.955 1.00 52.50 N ATOM 169 CE2 TRP A 11 -1.467 -3.803 -9.742 1.00 1.31 C ATOM 170 CE3 TRP A 11 -1.069 -5.867 -8.596 1.00 22.21 C ATOM 171 CZ2 TRP A 11 -0.149 -3.735 -10.176 1.00 75.32 C ATOM 172 CZ3 TRP A 11 0.243 -5.803 -9.018 1.00 3.23 C ATOM 173 CH2 TRP A 11 0.691 -4.742 -9.801 1.00 44.12 C ATOM 0 H TRP A 11 -4.005 -3.487 -5.387 1.00 14.12 H new ATOM 0 HA TRP A 11 -5.095 -5.957 -6.051 1.00 44.23 H new ATOM 0 HB2 TRP A 11 -3.942 -6.541 -8.093 1.00 31.13 H new ATOM 0 HB3 TRP A 11 -5.243 -5.389 -8.322 1.00 31.13 H new ATOM 0 HD1 TRP A 11 -4.598 -2.983 -9.322 1.00 62.13 H new ATOM 0 HE1 TRP A 11 -2.476 -2.089 -10.496 1.00 52.50 H new ATOM 0 HE3 TRP A 11 -1.410 -6.694 -7.991 1.00 22.21 H new ATOM 0 HZ2 TRP A 11 0.198 -2.915 -10.788 1.00 75.32 H new ATOM 0 HZ3 TRP A 11 0.932 -6.586 -8.737 1.00 3.23 H new ATOM 0 HH2 TRP A 11 1.723 -4.716 -10.117 1.00 44.12 H new ATOM 184 N TYR A 12 -2.693 -6.875 -5.648 1.00 44.41 N ATOM 185 CA TYR A 12 -1.467 -7.298 -5.002 1.00 73.32 C ATOM 186 C TYR A 12 -1.112 -8.704 -5.425 1.00 0.14 C ATOM 187 O TYR A 12 -1.971 -9.592 -5.450 1.00 3.14 O ATOM 188 CB TYR A 12 -1.591 -7.207 -3.456 1.00 22.01 C ATOM 189 CG TYR A 12 -0.314 -7.554 -2.696 1.00 21.14 C ATOM 190 CD1 TYR A 12 0.704 -6.622 -2.558 1.00 45.52 C ATOM 191 CD2 TYR A 12 -0.133 -8.806 -2.121 1.00 31.30 C ATOM 192 CE1 TYR A 12 1.867 -6.924 -1.875 1.00 2.41 C ATOM 193 CE2 TYR A 12 1.029 -9.113 -1.433 1.00 72.34 C ATOM 194 CZ TYR A 12 2.024 -8.168 -1.316 1.00 51.51 C ATOM 195 OH TYR A 12 3.186 -8.473 -0.637 1.00 43.43 O ATOM 0 H TYR A 12 -3.264 -7.636 -6.015 1.00 44.41 H new ATOM 0 HA TYR A 12 -0.667 -6.626 -5.314 1.00 73.32 H new ATOM 0 HB2 TYR A 12 -1.895 -6.195 -3.188 1.00 22.01 H new ATOM 0 HB3 TYR A 12 -2.387 -7.876 -3.128 1.00 22.01 H new ATOM 0 HD1 TYR A 12 0.585 -5.641 -2.993 1.00 45.52 H new ATOM 0 HD2 TYR A 12 -0.910 -9.551 -2.212 1.00 31.30 H new ATOM 0 HE1 TYR A 12 2.649 -6.185 -1.781 1.00 2.41 H new ATOM 0 HE2 TYR A 12 1.154 -10.090 -0.990 1.00 72.34 H new ATOM 0 HH TYR A 12 2.992 -9.128 0.065 1.00 43.43 H new ATOM 205 N ASN A 13 0.138 -8.894 -5.768 1.00 23.11 N ATOM 206 CA ASN A 13 0.652 -10.191 -6.133 1.00 10.22 C ATOM 207 C ASN A 13 1.795 -10.546 -5.228 1.00 32.12 C ATOM 208 O ASN A 13 2.913 -10.014 -5.370 1.00 22.23 O ATOM 209 CB ASN A 13 1.089 -10.260 -7.603 1.00 31.12 C ATOM 210 CG ASN A 13 -0.068 -10.184 -8.585 1.00 51.31 C ATOM 211 OD1 ASN A 13 -0.635 -11.203 -8.971 1.00 51.33 O ATOM 212 ND2 ASN A 13 -0.420 -9.000 -8.997 1.00 2.31 N ATOM 0 H ASN A 13 0.832 -8.148 -5.802 1.00 23.11 H new ATOM 0 HA ASN A 13 -0.155 -10.914 -6.014 1.00 10.22 H new ATOM 0 HB2 ASN A 13 1.782 -9.443 -7.806 1.00 31.12 H new ATOM 0 HB3 ASN A 13 1.635 -11.189 -7.768 1.00 31.12 H new ATOM 0 HD21 ASN A 13 -1.188 -8.898 -9.660 1.00 2.31 H new ATOM 0 HD22 ASN A 13 0.072 -8.174 -8.656 1.00 2.31 H new ATOM 219 N SER A 14 1.519 -11.423 -4.296 1.00 31.43 N ATOM 220 CA SER A 14 2.464 -11.846 -3.288 1.00 3.51 C ATOM 221 C SER A 14 3.745 -12.423 -3.892 1.00 50.52 C ATOM 222 O SER A 14 4.812 -12.242 -3.335 1.00 62.24 O ATOM 223 CB SER A 14 1.800 -12.864 -2.375 1.00 4.43 C ATOM 224 OG SER A 14 0.620 -12.325 -1.796 1.00 41.51 O ATOM 0 H SER A 14 0.608 -11.875 -4.213 1.00 31.43 H new ATOM 0 HA SER A 14 2.759 -10.967 -2.715 1.00 3.51 H new ATOM 0 HB2 SER A 14 1.555 -13.763 -2.941 1.00 4.43 H new ATOM 0 HB3 SER A 14 2.494 -13.162 -1.589 1.00 4.43 H new ATOM 0 HG SER A 14 0.492 -11.405 -2.110 1.00 41.51 H new ATOM 230 N THR A 15 3.632 -13.068 -5.052 1.00 54.10 N ATOM 231 CA THR A 15 4.776 -13.692 -5.702 1.00 72.53 C ATOM 232 C THR A 15 5.883 -12.661 -6.054 1.00 61.33 C ATOM 233 O THR A 15 7.073 -12.969 -5.988 1.00 60.34 O ATOM 234 CB THR A 15 4.335 -14.456 -6.966 1.00 43.21 C ATOM 235 OG1 THR A 15 3.303 -15.386 -6.607 1.00 61.02 O ATOM 236 CG2 THR A 15 5.503 -15.227 -7.577 1.00 53.33 C ATOM 0 H THR A 15 2.754 -13.171 -5.561 1.00 54.10 H new ATOM 0 HA THR A 15 5.202 -14.399 -4.990 1.00 72.53 H new ATOM 0 HB THR A 15 3.972 -13.736 -7.700 1.00 43.21 H new ATOM 0 HG1 THR A 15 3.013 -15.877 -7.404 1.00 61.02 H new ATOM 0 HG21 THR A 15 5.163 -15.757 -8.467 1.00 53.33 H new ATOM 0 HG22 THR A 15 6.296 -14.530 -7.850 1.00 53.33 H new ATOM 0 HG23 THR A 15 5.884 -15.945 -6.851 1.00 53.33 H new ATOM 244 N LYS A 16 5.492 -11.449 -6.411 1.00 44.44 N ATOM 245 CA LYS A 16 6.477 -10.412 -6.724 1.00 41.25 C ATOM 246 C LYS A 16 6.649 -9.460 -5.563 1.00 14.50 C ATOM 247 O LYS A 16 7.527 -8.604 -5.580 1.00 51.52 O ATOM 248 CB LYS A 16 6.113 -9.643 -7.998 1.00 5.23 C ATOM 249 CG LYS A 16 6.124 -10.491 -9.255 1.00 32.12 C ATOM 250 CD LYS A 16 5.818 -9.660 -10.492 1.00 33.01 C ATOM 251 CE LYS A 16 5.839 -10.507 -11.760 1.00 34.04 C ATOM 252 NZ LYS A 16 4.785 -11.545 -11.762 1.00 42.02 N ATOM 0 H LYS A 16 4.518 -11.156 -6.492 1.00 44.44 H new ATOM 0 HA LYS A 16 7.426 -10.917 -6.903 1.00 41.25 H new ATOM 0 HB2 LYS A 16 5.122 -9.206 -7.876 1.00 5.23 H new ATOM 0 HB3 LYS A 16 6.812 -8.817 -8.124 1.00 5.23 H new ATOM 0 HG2 LYS A 16 7.099 -10.965 -9.366 1.00 32.12 H new ATOM 0 HG3 LYS A 16 5.389 -11.291 -9.162 1.00 32.12 H new ATOM 0 HD2 LYS A 16 4.840 -9.192 -10.383 1.00 33.01 H new ATOM 0 HD3 LYS A 16 6.548 -8.855 -10.580 1.00 33.01 H new ATOM 0 HE2 LYS A 16 5.710 -9.860 -12.628 1.00 34.04 H new ATOM 0 HE3 LYS A 16 6.814 -10.983 -11.860 1.00 34.04 H new ATOM 0 HZ1 LYS A 16 4.728 -11.980 -12.705 1.00 42.02 H new ATOM 0 HZ2 LYS A 16 5.015 -12.274 -11.057 1.00 42.02 H new ATOM 0 HZ3 LYS A 16 3.870 -11.111 -11.525 1.00 42.02 H new ATOM 266 N ASN A 17 5.799 -9.633 -4.554 1.00 62.43 N ATOM 267 CA ASN A 17 5.776 -8.799 -3.333 1.00 34.31 C ATOM 268 C ASN A 17 5.342 -7.365 -3.662 1.00 50.12 C ATOM 269 O ASN A 17 5.578 -6.441 -2.886 1.00 33.15 O ATOM 270 CB ASN A 17 7.161 -8.752 -2.622 1.00 41.21 C ATOM 271 CG ASN A 17 7.757 -10.102 -2.200 1.00 73.01 C ATOM 272 OD1 ASN A 17 8.977 -10.244 -2.115 1.00 3.43 O ATOM 273 ND2 ASN A 17 6.937 -11.090 -1.957 1.00 13.13 N ATOM 0 H ASN A 17 5.090 -10.367 -4.552 1.00 62.43 H new ATOM 0 HA ASN A 17 5.057 -9.263 -2.658 1.00 34.31 H new ATOM 0 HB2 ASN A 17 7.870 -8.258 -3.287 1.00 41.21 H new ATOM 0 HB3 ASN A 17 7.068 -8.127 -1.734 1.00 41.21 H new ATOM 0 HD21 ASN A 17 7.304 -12.004 -1.690 1.00 13.13 H new ATOM 0 HD22 ASN A 17 5.930 -10.948 -2.034 1.00 13.13 H new ATOM 280 N PHE A 18 4.661 -7.189 -4.783 1.00 33.33 N ATOM 281 CA PHE A 18 4.217 -5.867 -5.204 1.00 23.13 C ATOM 282 C PHE A 18 2.736 -5.815 -5.462 1.00 61.41 C ATOM 283 O PHE A 18 2.099 -6.829 -5.813 1.00 52.51 O ATOM 284 CB PHE A 18 4.961 -5.349 -6.452 1.00 54.35 C ATOM 285 CG PHE A 18 6.404 -4.985 -6.245 1.00 3.20 C ATOM 286 CD1 PHE A 18 6.740 -3.843 -5.537 1.00 44.41 C ATOM 287 CD2 PHE A 18 7.416 -5.759 -6.781 1.00 24.40 C ATOM 288 CE1 PHE A 18 8.061 -3.486 -5.361 1.00 34.22 C ATOM 289 CE2 PHE A 18 8.738 -5.408 -6.607 1.00 44.41 C ATOM 290 CZ PHE A 18 9.061 -4.269 -5.896 1.00 15.33 C ATOM 0 H PHE A 18 4.403 -7.944 -5.419 1.00 33.33 H new ATOM 0 HA PHE A 18 4.457 -5.215 -4.364 1.00 23.13 H new ATOM 0 HB2 PHE A 18 4.905 -6.112 -7.228 1.00 54.35 H new ATOM 0 HB3 PHE A 18 4.434 -4.472 -6.829 1.00 54.35 H new ATOM 0 HD1 PHE A 18 5.959 -3.225 -5.118 1.00 44.41 H new ATOM 0 HD2 PHE A 18 7.169 -6.648 -7.342 1.00 24.40 H new ATOM 0 HE1 PHE A 18 8.311 -2.595 -4.805 1.00 34.22 H new ATOM 0 HE2 PHE A 18 9.520 -6.023 -7.026 1.00 44.41 H new ATOM 0 HZ PHE A 18 10.096 -3.992 -5.759 1.00 15.33 H new ATOM 300 N GLY A 19 2.195 -4.646 -5.277 1.00 33.13 N ATOM 301 CA GLY A 19 0.826 -4.384 -5.553 1.00 41.23 C ATOM 302 C GLY A 19 0.578 -2.911 -5.497 1.00 21.43 C ATOM 303 O GLY A 19 1.511 -2.145 -5.303 1.00 20.44 O ATOM 0 H GLY A 19 2.708 -3.838 -4.924 1.00 33.13 H new ATOM 0 HA2 GLY A 19 0.562 -4.771 -6.537 1.00 41.23 H new ATOM 0 HA3 GLY A 19 0.193 -4.898 -4.829 1.00 41.23 H new ATOM 307 N PHE A 20 -0.643 -2.515 -5.641 1.00 0.11 N ATOM 308 CA PHE A 20 -1.019 -1.119 -5.592 1.00 14.42 C ATOM 309 C PHE A 20 -2.192 -0.916 -4.678 1.00 21.33 C ATOM 310 O PHE A 20 -2.881 -1.874 -4.314 1.00 70.44 O ATOM 311 CB PHE A 20 -1.317 -0.534 -6.978 1.00 71.12 C ATOM 312 CG PHE A 20 -0.112 -0.179 -7.816 1.00 43.31 C ATOM 313 CD1 PHE A 20 0.648 -1.146 -8.437 1.00 11.12 C ATOM 314 CD2 PHE A 20 0.240 1.146 -7.985 1.00 74.32 C ATOM 315 CE1 PHE A 20 1.741 -0.803 -9.211 1.00 35.30 C ATOM 316 CE2 PHE A 20 1.329 1.499 -8.749 1.00 12.44 C ATOM 317 CZ PHE A 20 2.083 0.523 -9.367 1.00 40.53 C ATOM 0 H PHE A 20 -1.426 -3.150 -5.798 1.00 0.11 H new ATOM 0 HA PHE A 20 -0.158 -0.580 -5.197 1.00 14.42 H new ATOM 0 HB2 PHE A 20 -1.922 -1.252 -7.532 1.00 71.12 H new ATOM 0 HB3 PHE A 20 -1.924 0.363 -6.850 1.00 71.12 H new ATOM 0 HD1 PHE A 20 0.386 -2.187 -8.317 1.00 11.12 H new ATOM 0 HD2 PHE A 20 -0.349 1.917 -7.510 1.00 74.32 H new ATOM 0 HE1 PHE A 20 2.326 -1.573 -9.693 1.00 35.30 H new ATOM 0 HE2 PHE A 20 1.593 2.540 -8.865 1.00 12.44 H new ATOM 0 HZ PHE A 20 2.936 0.796 -9.970 1.00 40.53 H new ATOM 327 N ILE A 21 -2.425 0.322 -4.323 1.00 14.32 N ATOM 328 CA ILE A 21 -3.495 0.703 -3.426 1.00 41.45 C ATOM 329 C ILE A 21 -4.139 1.988 -3.946 1.00 33.33 C ATOM 330 O ILE A 21 -3.444 2.863 -4.449 1.00 3.53 O ATOM 331 CB ILE A 21 -2.947 0.957 -1.976 1.00 61.10 C ATOM 332 CG1 ILE A 21 -2.225 -0.290 -1.437 1.00 13.04 C ATOM 333 CG2 ILE A 21 -4.073 1.360 -1.033 1.00 53.13 C ATOM 334 CD1 ILE A 21 -1.612 -0.109 -0.061 1.00 42.23 C ATOM 0 H ILE A 21 -1.868 1.110 -4.653 1.00 14.32 H new ATOM 0 HA ILE A 21 -4.225 -0.106 -3.386 1.00 41.45 H new ATOM 0 HB ILE A 21 -2.230 1.776 -2.030 1.00 61.10 H new ATOM 0 HG12 ILE A 21 -2.933 -1.118 -1.401 1.00 13.04 H new ATOM 0 HG13 ILE A 21 -1.439 -0.572 -2.138 1.00 13.04 H new ATOM 0 HG21 ILE A 21 -3.669 1.530 -0.035 1.00 53.13 H new ATOM 0 HG22 ILE A 21 -4.541 2.275 -1.396 1.00 53.13 H new ATOM 0 HG23 ILE A 21 -4.816 0.564 -0.992 1.00 53.13 H new ATOM 0 HD11 ILE A 21 -1.123 -1.034 0.244 1.00 42.23 H new ATOM 0 HD12 ILE A 21 -0.878 0.696 -0.093 1.00 42.23 H new ATOM 0 HD13 ILE A 21 -2.394 0.141 0.656 1.00 42.23 H new ATOM 346 N GLU A 22 -5.449 2.070 -3.879 1.00 63.22 N ATOM 347 CA GLU A 22 -6.161 3.271 -4.246 1.00 42.13 C ATOM 348 C GLU A 22 -7.311 3.396 -3.288 1.00 23.23 C ATOM 349 O GLU A 22 -7.860 2.389 -2.866 1.00 2.24 O ATOM 350 CB GLU A 22 -6.720 3.193 -5.691 1.00 71.20 C ATOM 351 CG GLU A 22 -7.876 2.208 -5.870 1.00 34.35 C ATOM 352 CD GLU A 22 -8.418 2.164 -7.273 1.00 15.01 C ATOM 353 OE1 GLU A 22 -7.922 1.387 -8.089 1.00 64.21 O ATOM 354 OE2 GLU A 22 -9.363 2.919 -7.578 1.00 44.22 O ATOM 0 H GLU A 22 -6.049 1.306 -3.569 1.00 63.22 H new ATOM 0 HA GLU A 22 -5.485 4.125 -4.204 1.00 42.13 H new ATOM 0 HB2 GLU A 22 -7.055 4.186 -5.992 1.00 71.20 H new ATOM 0 HB3 GLU A 22 -5.911 2.911 -6.365 1.00 71.20 H new ATOM 0 HG2 GLU A 22 -7.539 1.210 -5.588 1.00 34.35 H new ATOM 0 HG3 GLU A 22 -8.681 2.478 -5.187 1.00 34.35 H new ATOM 361 N GLN A 23 -7.671 4.569 -2.901 1.00 23.30 N ATOM 362 CA GLN A 23 -8.844 4.664 -2.088 1.00 64.52 C ATOM 363 C GLN A 23 -10.044 4.701 -2.950 1.00 62.44 C ATOM 364 O GLN A 23 -9.985 5.166 -4.103 1.00 35.10 O ATOM 365 CB GLN A 23 -8.837 5.834 -1.108 1.00 12.41 C ATOM 366 CG GLN A 23 -8.760 7.191 -1.726 1.00 51.00 C ATOM 367 CD GLN A 23 -8.701 8.264 -0.686 1.00 42.04 C ATOM 368 OE1 GLN A 23 -9.729 8.794 -0.264 1.00 11.11 O ATOM 369 NE2 GLN A 23 -7.522 8.543 -0.226 1.00 73.44 N ATOM 0 H GLN A 23 -7.198 5.446 -3.119 1.00 23.30 H new ATOM 0 HA GLN A 23 -8.860 3.772 -1.461 1.00 64.52 H new ATOM 0 HB2 GLN A 23 -9.740 5.782 -0.500 1.00 12.41 H new ATOM 0 HB3 GLN A 23 -7.991 5.714 -0.432 1.00 12.41 H new ATOM 0 HG2 GLN A 23 -7.878 7.252 -2.364 1.00 51.00 H new ATOM 0 HG3 GLN A 23 -9.628 7.350 -2.366 1.00 51.00 H new ATOM 0 HE21 GLN A 23 -6.701 8.075 -0.610 1.00 73.44 H new ATOM 0 HE22 GLN A 23 -7.415 9.230 0.520 1.00 73.44 H new ATOM 378 N ASP A 24 -11.124 4.225 -2.406 1.00 44.22 N ATOM 379 CA ASP A 24 -12.422 4.183 -3.065 1.00 62.33 C ATOM 380 C ASP A 24 -12.879 5.567 -3.491 1.00 14.41 C ATOM 381 O ASP A 24 -13.742 5.712 -4.344 1.00 34.31 O ATOM 382 CB ASP A 24 -13.462 3.590 -2.130 1.00 14.44 C ATOM 383 CG ASP A 24 -13.209 2.150 -1.770 1.00 53.33 C ATOM 384 OD1 ASP A 24 -12.431 1.899 -0.851 1.00 15.41 O ATOM 385 OD2 ASP A 24 -13.817 1.248 -2.385 1.00 44.52 O ATOM 0 H ASP A 24 -11.140 3.840 -1.462 1.00 44.22 H new ATOM 0 HA ASP A 24 -12.315 3.562 -3.954 1.00 62.33 H new ATOM 0 HB2 ASP A 24 -13.494 4.183 -1.216 1.00 14.44 H new ATOM 0 HB3 ASP A 24 -14.444 3.670 -2.597 1.00 14.44 H new ATOM 390 N ASN A 25 -12.282 6.581 -2.900 1.00 61.20 N ATOM 391 CA ASN A 25 -12.629 7.952 -3.208 1.00 73.34 C ATOM 392 C ASN A 25 -11.831 8.474 -4.394 1.00 63.00 C ATOM 393 O ASN A 25 -12.012 9.619 -4.804 1.00 70.03 O ATOM 394 CB ASN A 25 -12.424 8.871 -1.991 1.00 2.42 C ATOM 395 CG ASN A 25 -13.253 8.464 -0.788 1.00 2.24 C ATOM 396 OD1 ASN A 25 -14.396 8.875 -0.645 1.00 34.43 O ATOM 397 ND2 ASN A 25 -12.669 7.700 0.110 1.00 32.20 N ATOM 0 H ASN A 25 -11.549 6.480 -2.198 1.00 61.20 H new ATOM 0 HA ASN A 25 -13.686 7.960 -3.472 1.00 73.34 H new ATOM 0 HB2 ASN A 25 -11.369 8.868 -1.715 1.00 2.42 H new ATOM 0 HB3 ASN A 25 -12.678 9.894 -2.270 1.00 2.42 H new ATOM 0 HD21 ASN A 25 -13.171 7.433 0.957 1.00 32.20 H new ATOM 0 HD22 ASN A 25 -11.714 7.374 -0.041 1.00 32.20 H new ATOM 404 N GLY A 26 -10.948 7.646 -4.951 1.00 1.43 N ATOM 405 CA GLY A 26 -10.171 8.087 -6.090 1.00 32.14 C ATOM 406 C GLY A 26 -8.755 8.471 -5.720 1.00 71.34 C ATOM 407 O GLY A 26 -8.295 9.555 -6.055 1.00 11.22 O ATOM 0 H GLY A 26 -10.761 6.694 -4.637 1.00 1.43 H new ATOM 0 HA2 GLY A 26 -10.144 7.292 -6.835 1.00 32.14 H new ATOM 0 HA3 GLY A 26 -10.665 8.941 -6.553 1.00 32.14 H new ATOM 411 N GLY A 27 -8.068 7.595 -5.015 1.00 13.32 N ATOM 412 CA GLY A 27 -6.692 7.887 -4.633 1.00 75.20 C ATOM 413 C GLY A 27 -5.734 7.538 -5.758 1.00 40.24 C ATOM 414 O GLY A 27 -6.013 6.627 -6.545 1.00 55.01 O ATOM 0 H GLY A 27 -8.425 6.693 -4.698 1.00 13.32 H new ATOM 0 HA2 GLY A 27 -6.596 8.943 -4.382 1.00 75.20 H new ATOM 0 HA3 GLY A 27 -6.431 7.322 -3.738 1.00 75.20 H new ATOM 418 N LYS A 28 -4.622 8.256 -5.842 1.00 31.23 N ATOM 419 CA LYS A 28 -3.645 8.061 -6.915 1.00 15.03 C ATOM 420 C LYS A 28 -2.930 6.704 -6.855 1.00 3.13 C ATOM 421 O LYS A 28 -3.074 5.952 -5.887 1.00 13.35 O ATOM 422 CB LYS A 28 -2.638 9.184 -6.928 1.00 33.22 C ATOM 423 CG LYS A 28 -1.796 9.311 -5.693 1.00 3.41 C ATOM 424 CD LYS A 28 -0.860 10.449 -5.887 1.00 64.23 C ATOM 425 CE LYS A 28 0.069 10.640 -4.703 1.00 4.00 C ATOM 426 NZ LYS A 28 1.002 11.767 -4.917 1.00 75.13 N ATOM 0 H LYS A 28 -4.369 8.986 -5.176 1.00 31.23 H new ATOM 0 HA LYS A 28 -4.213 8.069 -7.845 1.00 15.03 H new ATOM 0 HB2 LYS A 28 -1.978 9.047 -7.784 1.00 33.22 H new ATOM 0 HB3 LYS A 28 -3.169 10.123 -7.083 1.00 33.22 H new ATOM 0 HG2 LYS A 28 -2.425 9.480 -4.819 1.00 3.41 H new ATOM 0 HG3 LYS A 28 -1.242 8.389 -5.513 1.00 3.41 H new ATOM 0 HD2 LYS A 28 -0.268 10.280 -6.787 1.00 64.23 H new ATOM 0 HD3 LYS A 28 -1.432 11.363 -6.048 1.00 64.23 H new ATOM 0 HE2 LYS A 28 -0.520 10.821 -3.804 1.00 4.00 H new ATOM 0 HE3 LYS A 28 0.636 9.725 -4.534 1.00 4.00 H new ATOM 0 HZ1 LYS A 28 1.621 11.867 -4.087 1.00 75.13 H new ATOM 0 HZ2 LYS A 28 1.581 11.583 -5.761 1.00 75.13 H new ATOM 0 HZ3 LYS A 28 0.461 12.645 -5.053 1.00 75.13 H new ATOM 440 N ASP A 29 -2.156 6.408 -7.896 1.00 52.54 N ATOM 441 CA ASP A 29 -1.437 5.141 -8.008 1.00 72.00 C ATOM 442 C ASP A 29 -0.264 5.078 -7.063 1.00 12.25 C ATOM 443 O ASP A 29 0.805 5.659 -7.325 1.00 2.25 O ATOM 444 CB ASP A 29 -0.917 4.883 -9.440 1.00 24.34 C ATOM 445 CG ASP A 29 -1.991 4.707 -10.484 1.00 52.32 C ATOM 446 OD1 ASP A 29 -2.436 3.558 -10.714 1.00 51.34 O ATOM 447 OD2 ASP A 29 -2.391 5.710 -11.120 1.00 65.13 O ATOM 0 H ASP A 29 -2.009 7.038 -8.685 1.00 52.54 H new ATOM 0 HA ASP A 29 -2.164 4.372 -7.747 1.00 72.00 H new ATOM 0 HB2 ASP A 29 -0.278 5.715 -9.734 1.00 24.34 H new ATOM 0 HB3 ASP A 29 -0.292 3.990 -9.428 1.00 24.34 H new ATOM 452 N VAL A 30 -0.454 4.433 -5.962 1.00 72.43 N ATOM 453 CA VAL A 30 0.618 4.202 -5.047 1.00 63.21 C ATOM 454 C VAL A 30 0.843 2.704 -4.915 1.00 25.51 C ATOM 455 O VAL A 30 -0.114 1.934 -4.729 1.00 22.25 O ATOM 456 CB VAL A 30 0.374 4.878 -3.654 1.00 34.45 C ATOM 457 CG1 VAL A 30 -0.893 4.404 -2.993 1.00 23.15 C ATOM 458 CG2 VAL A 30 1.530 4.632 -2.735 1.00 14.33 C ATOM 0 H VAL A 30 -1.353 4.051 -5.669 1.00 72.43 H new ATOM 0 HA VAL A 30 1.519 4.668 -5.445 1.00 63.21 H new ATOM 0 HB VAL A 30 0.273 5.946 -3.847 1.00 34.45 H new ATOM 0 HG11 VAL A 30 -1.011 4.905 -2.032 1.00 23.15 H new ATOM 0 HG12 VAL A 30 -1.745 4.637 -3.631 1.00 23.15 H new ATOM 0 HG13 VAL A 30 -0.841 3.327 -2.837 1.00 23.15 H new ATOM 0 HG21 VAL A 30 1.339 5.110 -1.774 1.00 14.33 H new ATOM 0 HG22 VAL A 30 1.656 3.559 -2.588 1.00 14.33 H new ATOM 0 HG23 VAL A 30 2.438 5.047 -3.173 1.00 14.33 H new ATOM 468 N PHE A 31 2.072 2.277 -5.066 1.00 54.31 N ATOM 469 CA PHE A 31 2.365 0.878 -4.959 1.00 72.14 C ATOM 470 C PHE A 31 2.753 0.509 -3.565 1.00 74.40 C ATOM 471 O PHE A 31 3.411 1.269 -2.877 1.00 13.51 O ATOM 472 CB PHE A 31 3.385 0.379 -6.009 1.00 2.33 C ATOM 473 CG PHE A 31 4.700 1.101 -6.065 1.00 65.13 C ATOM 474 CD1 PHE A 31 5.737 0.763 -5.211 1.00 10.40 C ATOM 475 CD2 PHE A 31 4.905 2.103 -6.996 1.00 23.00 C ATOM 476 CE1 PHE A 31 6.950 1.415 -5.285 1.00 72.25 C ATOM 477 CE2 PHE A 31 6.109 2.759 -7.074 1.00 42.20 C ATOM 478 CZ PHE A 31 7.137 2.415 -6.217 1.00 63.14 C ATOM 0 H PHE A 31 2.875 2.874 -5.261 1.00 54.31 H new ATOM 0 HA PHE A 31 1.439 0.352 -5.192 1.00 72.14 H new ATOM 0 HB2 PHE A 31 3.583 -0.675 -5.817 1.00 2.33 H new ATOM 0 HB3 PHE A 31 2.920 0.442 -6.993 1.00 2.33 H new ATOM 0 HD1 PHE A 31 5.594 -0.019 -4.480 1.00 10.40 H new ATOM 0 HD2 PHE A 31 4.107 2.373 -7.671 1.00 23.00 H new ATOM 0 HE1 PHE A 31 7.752 1.143 -4.615 1.00 72.25 H new ATOM 0 HE2 PHE A 31 6.252 3.542 -7.804 1.00 42.20 H new ATOM 0 HZ PHE A 31 8.085 2.928 -6.277 1.00 63.14 H new ATOM 488 N VAL A 32 2.336 -0.631 -3.141 1.00 24.31 N ATOM 489 CA VAL A 32 2.644 -1.078 -1.829 1.00 1.14 C ATOM 490 C VAL A 32 3.901 -1.930 -1.859 1.00 64.43 C ATOM 491 O VAL A 32 4.002 -2.911 -2.608 1.00 54.13 O ATOM 492 CB VAL A 32 1.445 -1.819 -1.144 1.00 30.24 C ATOM 493 CG1 VAL A 32 0.980 -3.030 -1.946 1.00 71.35 C ATOM 494 CG2 VAL A 32 1.788 -2.217 0.289 1.00 24.13 C ATOM 0 H VAL A 32 1.773 -1.279 -3.692 1.00 24.31 H new ATOM 0 HA VAL A 32 2.832 -0.200 -1.211 1.00 1.14 H new ATOM 0 HB VAL A 32 0.615 -1.113 -1.115 1.00 30.24 H new ATOM 0 HG11 VAL A 32 0.148 -3.510 -1.431 1.00 71.35 H new ATOM 0 HG12 VAL A 32 0.657 -2.708 -2.936 1.00 71.35 H new ATOM 0 HG13 VAL A 32 1.802 -3.738 -2.045 1.00 71.35 H new ATOM 0 HG21 VAL A 32 0.937 -2.729 0.738 1.00 24.13 H new ATOM 0 HG22 VAL A 32 2.651 -2.883 0.285 1.00 24.13 H new ATOM 0 HG23 VAL A 32 2.021 -1.324 0.869 1.00 24.13 H new ATOM 504 N HIS A 33 4.866 -1.520 -1.092 1.00 23.55 N ATOM 505 CA HIS A 33 6.107 -2.217 -1.010 1.00 43.54 C ATOM 506 C HIS A 33 6.064 -3.125 0.216 1.00 52.23 C ATOM 507 O HIS A 33 5.558 -2.730 1.270 1.00 61.33 O ATOM 508 CB HIS A 33 7.260 -1.215 -0.955 1.00 60.51 C ATOM 509 CG HIS A 33 8.579 -1.870 -1.009 1.00 34.15 C ATOM 510 ND1 HIS A 33 9.005 -2.563 -2.094 1.00 11.12 N ATOM 511 CD2 HIS A 33 9.526 -2.011 -0.089 1.00 72.21 C ATOM 512 CE1 HIS A 33 10.150 -3.108 -1.832 1.00 23.42 C ATOM 513 NE2 HIS A 33 10.497 -2.787 -0.622 1.00 72.22 N ATOM 0 H HIS A 33 4.811 -0.688 -0.504 1.00 23.55 H new ATOM 0 HA HIS A 33 6.270 -2.837 -1.892 1.00 43.54 H new ATOM 0 HB2 HIS A 33 7.170 -0.517 -1.787 1.00 60.51 H new ATOM 0 HB3 HIS A 33 7.186 -0.630 -0.038 1.00 60.51 H new ATOM 0 HD2 HIS A 33 9.522 -1.584 0.903 1.00 72.21 H new ATOM 0 HE1 HIS A 33 10.722 -3.727 -2.508 1.00 23.42 H new ATOM 0 HE2 HIS A 33 11.357 -3.072 -0.153 1.00 72.22 H new ATOM 522 N LYS A 34 6.608 -4.316 0.094 1.00 65.41 N ATOM 523 CA LYS A 34 6.442 -5.329 1.123 1.00 55.22 C ATOM 524 C LYS A 34 7.309 -5.102 2.362 1.00 63.34 C ATOM 525 O LYS A 34 7.090 -5.723 3.397 1.00 45.03 O ATOM 526 CB LYS A 34 6.528 -6.754 0.537 1.00 23.21 C ATOM 527 CG LYS A 34 6.361 -7.886 1.544 1.00 22.13 C ATOM 528 CD LYS A 34 6.123 -9.194 0.847 1.00 42.10 C ATOM 529 CE LYS A 34 6.139 -10.370 1.798 1.00 60.04 C ATOM 530 NZ LYS A 34 7.469 -10.572 2.403 1.00 0.03 N ATOM 0 H LYS A 34 7.169 -4.610 -0.705 1.00 65.41 H new ATOM 0 HA LYS A 34 5.427 -5.222 1.505 1.00 55.22 H new ATOM 0 HB2 LYS A 34 5.763 -6.859 -0.232 1.00 23.21 H new ATOM 0 HB3 LYS A 34 7.493 -6.868 0.044 1.00 23.21 H new ATOM 0 HG2 LYS A 34 7.253 -7.958 2.167 1.00 22.13 H new ATOM 0 HG3 LYS A 34 5.525 -7.666 2.208 1.00 22.13 H new ATOM 0 HD2 LYS A 34 5.162 -9.159 0.334 1.00 42.10 H new ATOM 0 HD3 LYS A 34 6.887 -9.339 0.083 1.00 42.10 H new ATOM 0 HE2 LYS A 34 5.403 -10.210 2.586 1.00 60.04 H new ATOM 0 HE3 LYS A 34 5.843 -11.273 1.264 1.00 60.04 H new ATOM 0 HZ1 LYS A 34 7.524 -11.528 2.810 1.00 0.03 H new ATOM 0 HZ2 LYS A 34 8.202 -10.463 1.674 1.00 0.03 H new ATOM 0 HZ3 LYS A 34 7.620 -9.867 3.153 1.00 0.03 H new ATOM 544 N SER A 35 8.259 -4.183 2.282 1.00 62.24 N ATOM 545 CA SER A 35 9.040 -3.816 3.460 1.00 60.23 C ATOM 546 C SER A 35 8.110 -3.232 4.544 1.00 65.24 C ATOM 547 O SER A 35 8.448 -3.214 5.713 1.00 11.15 O ATOM 548 CB SER A 35 10.173 -2.831 3.120 1.00 42.25 C ATOM 549 OG SER A 35 11.009 -2.585 4.244 1.00 10.24 O ATOM 0 H SER A 35 8.508 -3.682 1.429 1.00 62.24 H new ATOM 0 HA SER A 35 9.513 -4.720 3.843 1.00 60.23 H new ATOM 0 HB2 SER A 35 10.771 -3.232 2.302 1.00 42.25 H new ATOM 0 HB3 SER A 35 9.746 -1.891 2.771 1.00 42.25 H new ATOM 0 HG SER A 35 11.718 -1.957 3.993 1.00 10.24 H new ATOM 555 N ALA A 36 6.941 -2.745 4.131 1.00 14.33 N ATOM 556 CA ALA A 36 5.948 -2.260 5.065 1.00 34.42 C ATOM 557 C ALA A 36 5.315 -3.423 5.808 1.00 1.53 C ATOM 558 O ALA A 36 5.063 -3.341 7.015 1.00 22.14 O ATOM 559 CB ALA A 36 4.899 -1.467 4.354 1.00 11.34 C ATOM 0 H ALA A 36 6.666 -2.679 3.151 1.00 14.33 H new ATOM 0 HA ALA A 36 6.442 -1.609 5.786 1.00 34.42 H new ATOM 0 HB1 ALA A 36 4.162 -1.111 5.074 1.00 11.34 H new ATOM 0 HB2 ALA A 36 5.362 -0.614 3.857 1.00 11.34 H new ATOM 0 HB3 ALA A 36 4.408 -2.096 3.612 1.00 11.34 H new ATOM 565 N VAL A 37 5.054 -4.518 5.086 1.00 23.13 N ATOM 566 CA VAL A 37 4.559 -5.722 5.731 1.00 70.55 C ATOM 567 C VAL A 37 5.660 -6.268 6.608 1.00 61.21 C ATOM 568 O VAL A 37 5.418 -6.761 7.663 1.00 61.22 O ATOM 569 CB VAL A 37 4.098 -6.832 4.728 1.00 52.44 C ATOM 570 CG1 VAL A 37 3.638 -8.092 5.493 1.00 21.44 C ATOM 571 CG2 VAL A 37 2.966 -6.315 3.845 1.00 74.11 C ATOM 0 H VAL A 37 5.176 -4.589 4.076 1.00 23.13 H new ATOM 0 HA VAL A 37 3.675 -5.446 6.305 1.00 70.55 H new ATOM 0 HB VAL A 37 4.945 -7.096 4.094 1.00 52.44 H new ATOM 0 HG11 VAL A 37 3.321 -8.854 4.781 1.00 21.44 H new ATOM 0 HG12 VAL A 37 4.464 -8.476 6.092 1.00 21.44 H new ATOM 0 HG13 VAL A 37 2.804 -7.837 6.147 1.00 21.44 H new ATOM 0 HG21 VAL A 37 2.657 -7.099 3.153 1.00 74.11 H new ATOM 0 HG22 VAL A 37 2.120 -6.028 4.469 1.00 74.11 H new ATOM 0 HG23 VAL A 37 3.311 -5.449 3.281 1.00 74.11 H new ATOM 581 N ASP A 38 6.870 -6.127 6.150 1.00 74.45 N ATOM 582 CA ASP A 38 8.051 -6.556 6.894 1.00 14.21 C ATOM 583 C ASP A 38 8.234 -5.723 8.161 1.00 32.23 C ATOM 584 O ASP A 38 8.729 -6.215 9.169 1.00 64.12 O ATOM 585 CB ASP A 38 9.287 -6.434 6.001 1.00 3.45 C ATOM 586 CG ASP A 38 10.578 -6.796 6.692 1.00 41.25 C ATOM 587 OD1 ASP A 38 10.885 -8.008 6.810 1.00 73.02 O ATOM 588 OD2 ASP A 38 11.317 -5.878 7.107 1.00 64.40 O ATOM 0 H ASP A 38 7.082 -5.709 5.244 1.00 74.45 H new ATOM 0 HA ASP A 38 7.916 -7.596 7.192 1.00 14.21 H new ATOM 0 HB2 ASP A 38 9.159 -7.078 5.131 1.00 3.45 H new ATOM 0 HB3 ASP A 38 9.358 -5.410 5.633 1.00 3.45 H new ATOM 593 N ALA A 39 7.800 -4.474 8.102 1.00 2.12 N ATOM 594 CA ALA A 39 7.952 -3.548 9.209 1.00 3.45 C ATOM 595 C ALA A 39 7.075 -3.912 10.403 1.00 2.14 C ATOM 596 O ALA A 39 7.490 -3.757 11.555 1.00 64.32 O ATOM 597 CB ALA A 39 7.650 -2.131 8.749 1.00 2.12 C ATOM 0 H ALA A 39 7.334 -4.076 7.287 1.00 2.12 H new ATOM 0 HA ALA A 39 8.988 -3.613 9.542 1.00 3.45 H new ATOM 0 HB1 ALA A 39 7.767 -1.444 9.587 1.00 2.12 H new ATOM 0 HB2 ALA A 39 8.340 -1.852 7.952 1.00 2.12 H new ATOM 0 HB3 ALA A 39 6.627 -2.079 8.377 1.00 2.12 H new ATOM 603 N ALA A 40 5.877 -4.403 10.144 1.00 60.22 N ATOM 604 CA ALA A 40 4.935 -4.684 11.237 1.00 1.23 C ATOM 605 C ALA A 40 4.401 -6.113 11.217 1.00 13.54 C ATOM 606 O ALA A 40 3.744 -6.553 12.165 1.00 75.44 O ATOM 607 CB ALA A 40 3.777 -3.698 11.180 1.00 21.40 C ATOM 0 H ALA A 40 5.528 -4.616 9.209 1.00 60.22 H new ATOM 0 HA ALA A 40 5.487 -4.569 12.170 1.00 1.23 H new ATOM 0 HB1 ALA A 40 3.080 -3.908 11.991 1.00 21.40 H new ATOM 0 HB2 ALA A 40 4.159 -2.682 11.284 1.00 21.40 H new ATOM 0 HB3 ALA A 40 3.262 -3.796 10.224 1.00 21.40 H new ATOM 613 N GLY A 41 4.687 -6.824 10.163 1.00 54.24 N ATOM 614 CA GLY A 41 4.153 -8.155 9.979 1.00 41.50 C ATOM 615 C GLY A 41 2.677 -8.098 9.730 1.00 44.52 C ATOM 616 O GLY A 41 1.882 -8.683 10.479 1.00 11.41 O ATOM 0 H GLY A 41 5.293 -6.505 9.407 1.00 54.24 H new ATOM 0 HA2 GLY A 41 4.651 -8.640 9.140 1.00 41.50 H new ATOM 0 HA3 GLY A 41 4.356 -8.760 10.863 1.00 41.50 H new ATOM 620 N LEU A 42 2.311 -7.371 8.690 1.00 42.14 N ATOM 621 CA LEU A 42 0.938 -7.194 8.307 1.00 31.22 C ATOM 622 C LEU A 42 0.400 -8.564 7.898 1.00 31.32 C ATOM 623 O LEU A 42 1.045 -9.287 7.130 1.00 51.33 O ATOM 624 CB LEU A 42 0.883 -6.167 7.157 1.00 63.24 C ATOM 625 CG LEU A 42 -0.471 -5.526 6.800 1.00 74.40 C ATOM 626 CD1 LEU A 42 -1.477 -6.522 6.256 1.00 63.53 C ATOM 627 CD2 LEU A 42 -1.041 -4.770 7.991 1.00 75.33 C ATOM 0 H LEU A 42 2.973 -6.884 8.086 1.00 42.14 H new ATOM 0 HA LEU A 42 0.321 -6.809 9.118 1.00 31.22 H new ATOM 0 HB2 LEU A 42 1.576 -5.361 7.400 1.00 63.24 H new ATOM 0 HB3 LEU A 42 1.264 -6.655 6.260 1.00 63.24 H new ATOM 0 HG LEU A 42 -0.276 -4.818 5.994 1.00 74.40 H new ATOM 0 HD11 LEU A 42 -2.409 -6.007 6.024 1.00 63.53 H new ATOM 0 HD12 LEU A 42 -1.081 -6.981 5.350 1.00 63.53 H new ATOM 0 HD13 LEU A 42 -1.665 -7.294 7.002 1.00 63.53 H new ATOM 0 HD21 LEU A 42 -1.997 -4.325 7.716 1.00 75.33 H new ATOM 0 HD22 LEU A 42 -1.187 -5.459 8.823 1.00 75.33 H new ATOM 0 HD23 LEU A 42 -0.348 -3.983 8.288 1.00 75.33 H new ATOM 639 N HIS A 43 -0.751 -8.905 8.433 1.00 54.05 N ATOM 640 CA HIS A 43 -1.362 -10.222 8.281 1.00 4.34 C ATOM 641 C HIS A 43 -1.451 -10.698 6.815 1.00 0.41 C ATOM 642 O HIS A 43 -0.883 -11.746 6.471 1.00 45.34 O ATOM 643 CB HIS A 43 -2.747 -10.235 8.958 1.00 4.44 C ATOM 644 CG HIS A 43 -3.445 -11.561 8.959 1.00 55.42 C ATOM 645 ND1 HIS A 43 -4.297 -11.969 7.959 1.00 11.35 N ATOM 646 CD2 HIS A 43 -3.424 -12.564 9.860 1.00 64.00 C ATOM 647 CE1 HIS A 43 -4.770 -13.158 8.248 1.00 44.22 C ATOM 648 NE2 HIS A 43 -4.257 -13.543 9.394 1.00 43.42 N ATOM 0 H HIS A 43 -1.307 -8.265 9.000 1.00 54.05 H new ATOM 0 HA HIS A 43 -0.706 -10.937 8.777 1.00 4.34 H new ATOM 0 HB2 HIS A 43 -2.632 -9.902 9.990 1.00 4.44 H new ATOM 0 HB3 HIS A 43 -3.385 -9.507 8.457 1.00 4.44 H new ATOM 0 HD2 HIS A 43 -2.856 -12.589 10.778 1.00 64.00 H new ATOM 0 HE1 HIS A 43 -5.464 -13.725 7.645 1.00 44.22 H new ATOM 0 HE2 HIS A 43 -4.449 -14.429 9.861 1.00 43.42 H new ATOM 657 N SER A 44 -2.127 -9.943 5.968 1.00 31.33 N ATOM 658 CA SER A 44 -2.335 -10.358 4.585 1.00 72.04 C ATOM 659 C SER A 44 -2.936 -9.244 3.733 1.00 44.53 C ATOM 660 O SER A 44 -3.709 -8.412 4.234 1.00 74.50 O ATOM 661 CB SER A 44 -3.252 -11.593 4.555 1.00 63.13 C ATOM 662 OG SER A 44 -4.468 -11.368 5.288 1.00 4.43 O ATOM 0 H SER A 44 -2.541 -9.042 6.208 1.00 31.33 H new ATOM 0 HA SER A 44 -1.361 -10.601 4.160 1.00 72.04 H new ATOM 0 HB2 SER A 44 -3.491 -11.844 3.522 1.00 63.13 H new ATOM 0 HB3 SER A 44 -2.725 -12.448 4.978 1.00 63.13 H new ATOM 0 HG SER A 44 -4.261 -11.259 6.240 1.00 4.43 H new ATOM 668 N LEU A 45 -2.572 -9.215 2.464 1.00 12.40 N ATOM 669 CA LEU A 45 -3.150 -8.275 1.526 1.00 62.53 C ATOM 670 C LEU A 45 -3.731 -9.015 0.338 1.00 3.12 C ATOM 671 O LEU A 45 -3.247 -10.092 -0.052 1.00 62.11 O ATOM 672 CB LEU A 45 -2.126 -7.245 1.011 1.00 24.12 C ATOM 673 CG LEU A 45 -1.411 -6.381 2.056 1.00 41.11 C ATOM 674 CD1 LEU A 45 -0.375 -5.500 1.379 1.00 72.34 C ATOM 675 CD2 LEU A 45 -2.411 -5.520 2.816 1.00 40.53 C ATOM 0 H LEU A 45 -1.873 -9.838 2.059 1.00 12.40 H new ATOM 0 HA LEU A 45 -3.930 -7.737 2.065 1.00 62.53 H new ATOM 0 HB2 LEU A 45 -1.367 -7.780 0.440 1.00 24.12 H new ATOM 0 HB3 LEU A 45 -2.638 -6.579 0.316 1.00 24.12 H new ATOM 0 HG LEU A 45 -0.912 -7.039 2.767 1.00 41.11 H new ATOM 0 HD11 LEU A 45 0.129 -4.889 2.128 1.00 72.34 H new ATOM 0 HD12 LEU A 45 0.357 -6.126 0.869 1.00 72.34 H new ATOM 0 HD13 LEU A 45 -0.867 -4.852 0.653 1.00 72.34 H new ATOM 0 HD21 LEU A 45 -1.884 -4.914 3.553 1.00 40.53 H new ATOM 0 HD22 LEU A 45 -2.934 -4.867 2.117 1.00 40.53 H new ATOM 0 HD23 LEU A 45 -3.132 -6.161 3.323 1.00 40.53 H new ATOM 687 N GLU A 46 -4.761 -8.442 -0.205 1.00 3.42 N ATOM 688 CA GLU A 46 -5.434 -8.897 -1.388 1.00 45.25 C ATOM 689 C GLU A 46 -6.318 -7.758 -1.801 1.00 52.31 C ATOM 690 O GLU A 46 -6.566 -6.859 -0.979 1.00 32.32 O ATOM 691 CB GLU A 46 -6.281 -10.163 -1.115 1.00 40.23 C ATOM 692 CG GLU A 46 -7.354 -9.986 -0.049 1.00 3.34 C ATOM 693 CD GLU A 46 -8.198 -11.212 0.141 1.00 61.24 C ATOM 694 OE1 GLU A 46 -7.804 -12.110 0.919 1.00 23.33 O ATOM 695 OE2 GLU A 46 -9.281 -11.301 -0.482 1.00 42.52 O ATOM 0 H GLU A 46 -5.179 -7.598 0.185 1.00 3.42 H new ATOM 0 HA GLU A 46 -4.720 -9.173 -2.164 1.00 45.25 H new ATOM 0 HB2 GLU A 46 -6.758 -10.473 -2.045 1.00 40.23 H new ATOM 0 HB3 GLU A 46 -5.616 -10.972 -0.812 1.00 40.23 H new ATOM 0 HG2 GLU A 46 -6.879 -9.728 0.898 1.00 3.34 H new ATOM 0 HG3 GLU A 46 -7.996 -9.148 -0.322 1.00 3.34 H new ATOM 702 N GLU A 47 -6.775 -7.744 -3.015 1.00 34.13 N ATOM 703 CA GLU A 47 -7.637 -6.679 -3.443 1.00 43.25 C ATOM 704 C GLU A 47 -8.984 -6.757 -2.764 1.00 31.24 C ATOM 705 O GLU A 47 -9.461 -7.838 -2.406 1.00 53.02 O ATOM 706 CB GLU A 47 -7.766 -6.543 -4.967 1.00 43.31 C ATOM 707 CG GLU A 47 -8.084 -7.814 -5.727 1.00 61.32 C ATOM 708 CD GLU A 47 -6.896 -8.761 -5.842 1.00 54.03 C ATOM 709 OE1 GLU A 47 -6.694 -9.592 -4.939 1.00 55.13 O ATOM 710 OE2 GLU A 47 -6.151 -8.680 -6.839 1.00 33.21 O ATOM 0 H GLU A 47 -6.570 -8.449 -3.723 1.00 34.13 H new ATOM 0 HA GLU A 47 -7.147 -5.759 -3.124 1.00 43.25 H new ATOM 0 HB2 GLU A 47 -8.545 -5.812 -5.181 1.00 43.31 H new ATOM 0 HB3 GLU A 47 -6.832 -6.136 -5.355 1.00 43.31 H new ATOM 0 HG2 GLU A 47 -8.905 -8.331 -5.230 1.00 61.32 H new ATOM 0 HG3 GLU A 47 -8.431 -7.554 -6.727 1.00 61.32 H new ATOM 717 N GLY A 48 -9.581 -5.617 -2.580 1.00 55.35 N ATOM 718 CA GLY A 48 -10.824 -5.539 -1.843 1.00 73.32 C ATOM 719 C GLY A 48 -10.600 -5.183 -0.375 1.00 72.45 C ATOM 720 O GLY A 48 -11.534 -4.793 0.327 1.00 33.15 O ATOM 0 H GLY A 48 -9.233 -4.723 -2.927 1.00 55.35 H new ATOM 0 HA2 GLY A 48 -11.471 -4.792 -2.302 1.00 73.32 H new ATOM 0 HA3 GLY A 48 -11.344 -6.494 -1.909 1.00 73.32 H new ATOM 724 N GLN A 49 -9.364 -5.308 0.083 1.00 23.13 N ATOM 725 CA GLN A 49 -9.003 -4.997 1.459 1.00 42.21 C ATOM 726 C GLN A 49 -8.759 -3.524 1.645 1.00 24.51 C ATOM 727 O GLN A 49 -7.910 -2.949 0.982 1.00 64.00 O ATOM 728 CB GLN A 49 -7.749 -5.769 1.852 1.00 2.03 C ATOM 729 CG GLN A 49 -7.962 -7.252 2.041 1.00 11.10 C ATOM 730 CD GLN A 49 -8.463 -7.651 3.431 1.00 5.41 C ATOM 731 OE1 GLN A 49 -8.183 -8.755 3.899 1.00 24.02 O ATOM 732 NE2 GLN A 49 -9.176 -6.789 4.100 1.00 21.52 N ATOM 0 H GLN A 49 -8.582 -5.628 -0.488 1.00 23.13 H new ATOM 0 HA GLN A 49 -9.837 -5.290 2.097 1.00 42.21 H new ATOM 0 HB2 GLN A 49 -6.989 -5.618 1.085 1.00 2.03 H new ATOM 0 HB3 GLN A 49 -7.355 -5.350 2.778 1.00 2.03 H new ATOM 0 HG2 GLN A 49 -8.678 -7.601 1.297 1.00 11.10 H new ATOM 0 HG3 GLN A 49 -7.022 -7.769 1.846 1.00 11.10 H new ATOM 0 HE21 GLN A 49 -9.395 -5.881 3.690 1.00 21.52 H new ATOM 0 HE22 GLN A 49 -9.515 -7.023 5.033 1.00 21.52 H new ATOM 741 N ASP A 50 -9.510 -2.924 2.525 1.00 41.23 N ATOM 742 CA ASP A 50 -9.297 -1.524 2.885 1.00 65.32 C ATOM 743 C ASP A 50 -8.039 -1.449 3.712 1.00 21.33 C ATOM 744 O ASP A 50 -7.843 -2.265 4.624 1.00 63.51 O ATOM 745 CB ASP A 50 -10.453 -0.950 3.717 1.00 72.41 C ATOM 746 CG ASP A 50 -11.780 -0.862 3.020 1.00 12.35 C ATOM 747 OD1 ASP A 50 -12.518 -1.869 3.000 1.00 1.21 O ATOM 748 OD2 ASP A 50 -12.138 0.226 2.536 1.00 75.25 O ATOM 0 H ASP A 50 -10.283 -3.373 3.016 1.00 41.23 H new ATOM 0 HA ASP A 50 -9.227 -0.942 1.966 1.00 65.32 H new ATOM 0 HB2 ASP A 50 -10.573 -1.564 4.610 1.00 72.41 H new ATOM 0 HB3 ASP A 50 -10.173 0.049 4.052 1.00 72.41 H new ATOM 753 N VAL A 51 -7.202 -0.509 3.434 1.00 32.25 N ATOM 754 CA VAL A 51 -5.960 -0.425 4.119 1.00 23.51 C ATOM 755 C VAL A 51 -5.543 1.024 4.345 1.00 34.04 C ATOM 756 O VAL A 51 -5.847 1.918 3.560 1.00 12.42 O ATOM 757 CB VAL A 51 -4.855 -1.227 3.382 1.00 4.33 C ATOM 758 CG1 VAL A 51 -4.511 -0.630 2.018 1.00 44.22 C ATOM 759 CG2 VAL A 51 -3.629 -1.427 4.253 1.00 62.40 C ATOM 0 H VAL A 51 -7.357 0.216 2.733 1.00 32.25 H new ATOM 0 HA VAL A 51 -6.095 -0.879 5.101 1.00 23.51 H new ATOM 0 HB VAL A 51 -5.265 -2.217 3.182 1.00 4.33 H new ATOM 0 HG11 VAL A 51 -3.733 -1.229 1.545 1.00 44.22 H new ATOM 0 HG12 VAL A 51 -5.400 -0.627 1.388 1.00 44.22 H new ATOM 0 HG13 VAL A 51 -4.154 0.392 2.148 1.00 44.22 H new ATOM 0 HG21 VAL A 51 -2.879 -1.993 3.701 1.00 62.40 H new ATOM 0 HG22 VAL A 51 -3.219 -0.456 4.532 1.00 62.40 H new ATOM 0 HG23 VAL A 51 -3.907 -1.976 5.153 1.00 62.40 H new ATOM 769 N ILE A 52 -4.888 1.221 5.423 1.00 74.12 N ATOM 770 CA ILE A 52 -4.412 2.499 5.857 1.00 53.15 C ATOM 771 C ILE A 52 -2.903 2.474 5.741 1.00 60.34 C ATOM 772 O ILE A 52 -2.271 1.489 6.146 1.00 5.14 O ATOM 773 CB ILE A 52 -4.803 2.703 7.339 1.00 35.14 C ATOM 774 CG1 ILE A 52 -6.309 2.506 7.508 1.00 31.24 C ATOM 775 CG2 ILE A 52 -4.389 4.089 7.821 1.00 52.53 C ATOM 776 CD1 ILE A 52 -6.773 2.438 8.944 1.00 25.42 C ATOM 0 H ILE A 52 -4.651 0.466 6.067 1.00 74.12 H new ATOM 0 HA ILE A 52 -4.838 3.304 5.258 1.00 53.15 H new ATOM 0 HB ILE A 52 -4.278 1.965 7.945 1.00 35.14 H new ATOM 0 HG12 ILE A 52 -6.828 3.325 7.010 1.00 31.24 H new ATOM 0 HG13 ILE A 52 -6.602 1.587 7.001 1.00 31.24 H new ATOM 0 HG21 ILE A 52 -4.674 4.211 8.866 1.00 52.53 H new ATOM 0 HG22 ILE A 52 -3.309 4.200 7.724 1.00 52.53 H new ATOM 0 HG23 ILE A 52 -4.888 4.848 7.218 1.00 52.53 H new ATOM 0 HD11 ILE A 52 -7.854 2.297 8.971 1.00 25.42 H new ATOM 0 HD12 ILE A 52 -6.285 1.602 9.445 1.00 25.42 H new ATOM 0 HD13 ILE A 52 -6.515 3.366 9.454 1.00 25.42 H new ATOM 788 N PHE A 53 -2.325 3.507 5.180 1.00 22.14 N ATOM 789 CA PHE A 53 -0.892 3.536 4.994 1.00 23.23 C ATOM 790 C PHE A 53 -0.354 4.940 5.086 1.00 54.54 C ATOM 791 O PHE A 53 -1.095 5.888 5.198 1.00 11.54 O ATOM 792 CB PHE A 53 -0.508 2.935 3.630 1.00 4.41 C ATOM 793 CG PHE A 53 -1.136 3.618 2.446 1.00 33.33 C ATOM 794 CD1 PHE A 53 -2.410 3.288 2.035 1.00 42.43 C ATOM 795 CD2 PHE A 53 -0.439 4.580 1.739 1.00 31.14 C ATOM 796 CE1 PHE A 53 -2.973 3.900 0.947 1.00 44.34 C ATOM 797 CE2 PHE A 53 -0.999 5.194 0.651 1.00 63.44 C ATOM 798 CZ PHE A 53 -2.264 4.853 0.253 1.00 73.21 C ATOM 0 H PHE A 53 -2.819 4.334 4.846 1.00 22.14 H new ATOM 0 HA PHE A 53 -0.451 2.938 5.792 1.00 23.23 H new ATOM 0 HB2 PHE A 53 0.576 2.974 3.523 1.00 4.41 H new ATOM 0 HB3 PHE A 53 -0.792 1.883 3.618 1.00 4.41 H new ATOM 0 HD1 PHE A 53 -2.969 2.539 2.576 1.00 42.43 H new ATOM 0 HD2 PHE A 53 0.560 4.851 2.049 1.00 31.14 H new ATOM 0 HE1 PHE A 53 -3.972 3.635 0.634 1.00 44.34 H new ATOM 0 HE2 PHE A 53 -0.445 5.945 0.108 1.00 63.44 H new ATOM 0 HZ PHE A 53 -2.706 5.333 -0.607 1.00 73.21 H new ATOM 808 N ASP A 54 0.922 5.039 5.036 1.00 32.21 N ATOM 809 CA ASP A 54 1.629 6.277 4.989 1.00 24.30 C ATOM 810 C ASP A 54 2.274 6.360 3.650 1.00 5.31 C ATOM 811 O ASP A 54 2.666 5.328 3.082 1.00 3.51 O ATOM 812 CB ASP A 54 2.688 6.370 6.098 1.00 33.45 C ATOM 813 CG ASP A 54 2.150 6.785 7.461 1.00 23.21 C ATOM 814 OD1 ASP A 54 1.112 6.246 7.933 1.00 45.42 O ATOM 815 OD2 ASP A 54 2.755 7.687 8.077 1.00 34.23 O ATOM 0 H ASP A 54 1.537 4.225 5.026 1.00 32.21 H new ATOM 0 HA ASP A 54 0.938 7.105 5.148 1.00 24.30 H new ATOM 0 HB2 ASP A 54 3.178 5.401 6.196 1.00 33.45 H new ATOM 0 HB3 ASP A 54 3.453 7.084 5.792 1.00 33.45 H new ATOM 820 N LEU A 55 2.373 7.529 3.121 1.00 30.11 N ATOM 821 CA LEU A 55 2.933 7.695 1.812 1.00 32.33 C ATOM 822 C LEU A 55 4.007 8.742 1.800 1.00 62.23 C ATOM 823 O LEU A 55 3.891 9.804 2.439 1.00 11.12 O ATOM 824 CB LEU A 55 1.825 7.968 0.780 1.00 62.31 C ATOM 825 CG LEU A 55 2.224 8.290 -0.672 1.00 24.54 C ATOM 826 CD1 LEU A 55 3.166 7.249 -1.224 1.00 24.34 C ATOM 827 CD2 LEU A 55 0.969 8.353 -1.539 1.00 4.32 C ATOM 0 H LEU A 55 2.074 8.393 3.572 1.00 30.11 H new ATOM 0 HA LEU A 55 3.418 6.762 1.524 1.00 32.33 H new ATOM 0 HB2 LEU A 55 1.174 7.094 0.757 1.00 62.31 H new ATOM 0 HB3 LEU A 55 1.228 8.801 1.150 1.00 62.31 H new ATOM 0 HG LEU A 55 2.736 9.252 -0.682 1.00 24.54 H new ATOM 0 HD11 LEU A 55 3.429 7.504 -2.250 1.00 24.34 H new ATOM 0 HD12 LEU A 55 4.069 7.216 -0.615 1.00 24.34 H new ATOM 0 HD13 LEU A 55 2.681 6.273 -1.206 1.00 24.34 H new ATOM 0 HD21 LEU A 55 1.248 8.581 -2.568 1.00 4.32 H new ATOM 0 HD22 LEU A 55 0.456 7.392 -1.507 1.00 4.32 H new ATOM 0 HD23 LEU A 55 0.305 9.131 -1.162 1.00 4.32 H new ATOM 839 N GLU A 56 5.053 8.414 1.117 1.00 23.42 N ATOM 840 CA GLU A 56 6.190 9.240 0.940 1.00 32.12 C ATOM 841 C GLU A 56 6.804 8.807 -0.381 1.00 62.13 C ATOM 842 O GLU A 56 6.745 7.619 -0.724 1.00 44.25 O ATOM 843 CB GLU A 56 7.123 9.027 2.128 1.00 71.30 C ATOM 844 CG GLU A 56 8.302 9.959 2.210 1.00 51.12 C ATOM 845 CD GLU A 56 8.984 9.822 3.538 1.00 35.40 C ATOM 846 OE1 GLU A 56 8.469 10.389 4.526 1.00 3.14 O ATOM 847 OE2 GLU A 56 10.008 9.117 3.639 1.00 42.34 O ATOM 0 H GLU A 56 5.137 7.514 0.644 1.00 23.42 H new ATOM 0 HA GLU A 56 5.965 10.306 0.904 1.00 32.12 H new ATOM 0 HB2 GLU A 56 6.542 9.125 3.045 1.00 71.30 H new ATOM 0 HB3 GLU A 56 7.495 8.003 2.095 1.00 71.30 H new ATOM 0 HG2 GLU A 56 9.006 9.737 1.408 1.00 51.12 H new ATOM 0 HG3 GLU A 56 7.971 10.988 2.068 1.00 51.12 H new ATOM 854 N GLU A 57 7.338 9.730 -1.127 1.00 32.24 N ATOM 855 CA GLU A 57 7.806 9.418 -2.458 1.00 21.54 C ATOM 856 C GLU A 57 9.220 8.878 -2.500 1.00 73.44 C ATOM 857 O GLU A 57 10.113 9.335 -1.781 1.00 31.53 O ATOM 858 CB GLU A 57 7.673 10.613 -3.400 1.00 25.12 C ATOM 859 CG GLU A 57 6.249 11.094 -3.587 1.00 74.34 C ATOM 860 CD GLU A 57 6.148 12.220 -4.579 1.00 2.01 C ATOM 861 OE1 GLU A 57 6.579 13.334 -4.264 1.00 24.33 O ATOM 862 OE2 GLU A 57 5.627 12.016 -5.688 1.00 63.34 O ATOM 0 H GLU A 57 7.463 10.702 -0.844 1.00 32.24 H new ATOM 0 HA GLU A 57 7.153 8.617 -2.804 1.00 21.54 H new ATOM 0 HB2 GLU A 57 8.276 11.435 -3.015 1.00 25.12 H new ATOM 0 HB3 GLU A 57 8.085 10.344 -4.372 1.00 25.12 H new ATOM 0 HG2 GLU A 57 5.629 10.262 -3.922 1.00 74.34 H new ATOM 0 HG3 GLU A 57 5.851 11.423 -2.627 1.00 74.34 H new ATOM 869 N LYS A 58 9.390 7.910 -3.365 1.00 15.22 N ATOM 870 CA LYS A 58 10.656 7.294 -3.668 1.00 72.41 C ATOM 871 C LYS A 58 11.189 8.011 -4.890 1.00 64.12 C ATOM 872 O LYS A 58 10.995 7.551 -6.027 1.00 33.45 O ATOM 873 CB LYS A 58 10.438 5.797 -3.986 1.00 3.42 C ATOM 874 CG LYS A 58 11.676 4.998 -4.383 1.00 15.54 C ATOM 875 CD LYS A 58 11.279 3.589 -4.818 1.00 70.31 C ATOM 876 CE LYS A 58 12.481 2.766 -5.254 1.00 32.32 C ATOM 877 NZ LYS A 58 12.080 1.423 -5.752 1.00 31.31 N ATOM 0 H LYS A 58 8.617 7.514 -3.899 1.00 15.22 H new ATOM 0 HA LYS A 58 11.352 7.364 -2.832 1.00 72.41 H new ATOM 0 HB2 LYS A 58 9.993 5.324 -3.111 1.00 3.42 H new ATOM 0 HB3 LYS A 58 9.710 5.722 -4.794 1.00 3.42 H new ATOM 0 HG2 LYS A 58 12.198 5.503 -5.195 1.00 15.54 H new ATOM 0 HG3 LYS A 58 12.368 4.945 -3.543 1.00 15.54 H new ATOM 0 HD2 LYS A 58 10.774 3.084 -3.994 1.00 70.31 H new ATOM 0 HD3 LYS A 58 10.565 3.651 -5.639 1.00 70.31 H new ATOM 0 HE2 LYS A 58 13.021 3.298 -6.038 1.00 32.32 H new ATOM 0 HE3 LYS A 58 13.167 2.652 -4.415 1.00 32.32 H new ATOM 0 HZ1 LYS A 58 12.927 0.892 -6.040 1.00 31.31 H new ATOM 0 HZ2 LYS A 58 11.587 0.905 -4.996 1.00 31.31 H new ATOM 0 HZ3 LYS A 58 11.445 1.531 -6.569 1.00 31.31 H new ATOM 891 N GLN A 59 11.770 9.178 -4.648 1.00 30.04 N ATOM 892 CA GLN A 59 12.233 10.101 -5.689 1.00 41.40 C ATOM 893 C GLN A 59 11.041 10.628 -6.510 1.00 41.42 C ATOM 894 O GLN A 59 10.520 11.718 -6.240 1.00 20.23 O ATOM 895 CB GLN A 59 13.297 9.468 -6.595 1.00 63.10 C ATOM 896 CG GLN A 59 14.552 9.033 -5.870 1.00 71.45 C ATOM 897 CD GLN A 59 15.530 8.366 -6.796 1.00 24.01 C ATOM 898 OE1 GLN A 59 16.392 9.015 -7.399 1.00 32.13 O ATOM 899 NE2 GLN A 59 15.407 7.082 -6.929 1.00 32.22 N ATOM 0 H GLN A 59 11.939 9.522 -3.703 1.00 30.04 H new ATOM 0 HA GLN A 59 12.710 10.945 -5.191 1.00 41.40 H new ATOM 0 HB2 GLN A 59 12.863 8.603 -7.097 1.00 63.10 H new ATOM 0 HB3 GLN A 59 13.569 10.183 -7.371 1.00 63.10 H new ATOM 0 HG2 GLN A 59 15.023 9.900 -5.407 1.00 71.45 H new ATOM 0 HG3 GLN A 59 14.287 8.347 -5.066 1.00 71.45 H new ATOM 0 HE21 GLN A 59 14.682 6.583 -6.413 1.00 32.22 H new ATOM 0 HE22 GLN A 59 16.035 6.571 -7.549 1.00 32.22 H new ATOM 908 N GLY A 60 10.594 9.843 -7.467 1.00 52.42 N ATOM 909 CA GLY A 60 9.460 10.209 -8.265 1.00 73.31 C ATOM 910 C GLY A 60 8.366 9.167 -8.179 1.00 35.10 C ATOM 911 O GLY A 60 7.267 9.359 -8.701 1.00 74.12 O ATOM 0 H GLY A 60 11.007 8.942 -7.707 1.00 52.42 H new ATOM 0 HA2 GLY A 60 9.074 11.172 -7.932 1.00 73.31 H new ATOM 0 HA3 GLY A 60 9.768 10.331 -9.303 1.00 73.31 H new ATOM 915 N LYS A 61 8.662 8.055 -7.527 1.00 31.01 N ATOM 916 CA LYS A 61 7.694 6.972 -7.371 1.00 70.33 C ATOM 917 C LYS A 61 6.939 7.158 -6.067 1.00 60.24 C ATOM 918 O LYS A 61 7.371 7.903 -5.208 1.00 63.43 O ATOM 919 CB LYS A 61 8.384 5.601 -7.348 1.00 60.22 C ATOM 920 CG LYS A 61 9.302 5.214 -8.527 1.00 71.21 C ATOM 921 CD LYS A 61 8.615 5.153 -9.905 1.00 61.22 C ATOM 922 CE LYS A 61 8.346 6.528 -10.497 1.00 61.51 C ATOM 923 NZ LYS A 61 7.752 6.440 -11.835 1.00 2.01 N ATOM 0 H LYS A 61 9.568 7.874 -7.094 1.00 31.01 H new ATOM 0 HA LYS A 61 7.013 7.004 -8.221 1.00 70.33 H new ATOM 0 HB2 LYS A 61 8.977 5.544 -6.435 1.00 60.22 H new ATOM 0 HB3 LYS A 61 7.607 4.841 -7.271 1.00 60.22 H new ATOM 0 HG2 LYS A 61 10.121 5.932 -8.579 1.00 71.21 H new ATOM 0 HG3 LYS A 61 9.745 4.240 -8.317 1.00 71.21 H new ATOM 0 HD2 LYS A 61 9.241 4.584 -10.592 1.00 61.22 H new ATOM 0 HD3 LYS A 61 7.673 4.613 -9.811 1.00 61.22 H new ATOM 0 HE2 LYS A 61 7.677 7.082 -9.839 1.00 61.51 H new ATOM 0 HE3 LYS A 61 9.279 7.089 -10.550 1.00 61.51 H new ATOM 0 HZ1 LYS A 61 7.584 7.398 -12.204 1.00 2.01 H new ATOM 0 HZ2 LYS A 61 8.401 5.933 -12.470 1.00 2.01 H new ATOM 0 HZ3 LYS A 61 6.849 5.927 -11.781 1.00 2.01 H new ATOM 937 N ALA A 62 5.843 6.468 -5.915 1.00 52.13 N ATOM 938 CA ALA A 62 5.026 6.581 -4.725 1.00 43.12 C ATOM 939 C ALA A 62 4.781 5.202 -4.137 1.00 43.35 C ATOM 940 O ALA A 62 4.190 4.344 -4.796 1.00 62.52 O ATOM 941 CB ALA A 62 3.703 7.260 -5.073 1.00 62.22 C ATOM 0 H ALA A 62 5.486 5.810 -6.608 1.00 52.13 H new ATOM 0 HA ALA A 62 5.545 7.187 -3.983 1.00 43.12 H new ATOM 0 HB1 ALA A 62 3.090 7.344 -4.176 1.00 62.22 H new ATOM 0 HB2 ALA A 62 3.899 8.255 -5.473 1.00 62.22 H new ATOM 0 HB3 ALA A 62 3.175 6.667 -5.819 1.00 62.22 H new ATOM 947 N TYR A 63 5.233 4.978 -2.912 1.00 34.53 N ATOM 948 CA TYR A 63 5.062 3.685 -2.285 1.00 5.14 C ATOM 949 C TYR A 63 4.403 3.789 -0.926 1.00 3.41 C ATOM 950 O TYR A 63 4.728 4.668 -0.118 1.00 55.11 O ATOM 951 CB TYR A 63 6.377 2.894 -2.202 1.00 20.22 C ATOM 952 CG TYR A 63 7.476 3.502 -1.341 1.00 2.13 C ATOM 953 CD1 TYR A 63 8.112 4.683 -1.694 1.00 64.40 C ATOM 954 CD2 TYR A 63 7.869 2.879 -0.170 1.00 44.24 C ATOM 955 CE1 TYR A 63 9.108 5.224 -0.896 1.00 63.01 C ATOM 956 CE2 TYR A 63 8.861 3.412 0.625 1.00 4.02 C ATOM 957 CZ TYR A 63 9.476 4.583 0.260 1.00 53.43 C ATOM 958 OH TYR A 63 10.476 5.113 1.057 1.00 45.32 O ATOM 0 H TYR A 63 5.716 5.671 -2.340 1.00 34.53 H new ATOM 0 HA TYR A 63 4.388 3.125 -2.934 1.00 5.14 H new ATOM 0 HB2 TYR A 63 6.154 1.898 -1.819 1.00 20.22 H new ATOM 0 HB3 TYR A 63 6.765 2.767 -3.213 1.00 20.22 H new ATOM 0 HD1 TYR A 63 7.827 5.189 -2.605 1.00 64.40 H new ATOM 0 HD2 TYR A 63 7.390 1.958 0.127 1.00 44.24 H new ATOM 0 HE1 TYR A 63 9.592 6.146 -1.183 1.00 63.01 H new ATOM 0 HE2 TYR A 63 9.154 2.908 1.534 1.00 4.02 H new ATOM 0 HH TYR A 63 10.612 4.536 1.838 1.00 45.32 H new ATOM 968 N ALA A 64 3.474 2.909 -0.707 1.00 33.43 N ATOM 969 CA ALA A 64 2.718 2.832 0.523 1.00 42.34 C ATOM 970 C ALA A 64 3.492 2.068 1.583 1.00 64.42 C ATOM 971 O ALA A 64 4.047 0.980 1.321 1.00 13.23 O ATOM 972 CB ALA A 64 1.370 2.172 0.258 1.00 53.05 C ATOM 0 H ALA A 64 3.208 2.202 -1.392 1.00 33.43 H new ATOM 0 HA ALA A 64 2.549 3.842 0.897 1.00 42.34 H new ATOM 0 HB1 ALA A 64 0.803 2.116 1.187 1.00 53.05 H new ATOM 0 HB2 ALA A 64 0.814 2.761 -0.471 1.00 53.05 H new ATOM 0 HB3 ALA A 64 1.528 1.166 -0.132 1.00 53.05 H new ATOM 978 N VAL A 65 3.539 2.644 2.766 1.00 13.33 N ATOM 979 CA VAL A 65 4.240 2.075 3.913 1.00 60.35 C ATOM 980 C VAL A 65 3.380 2.217 5.145 1.00 51.22 C ATOM 981 O VAL A 65 2.314 2.789 5.062 1.00 21.25 O ATOM 982 CB VAL A 65 5.622 2.757 4.184 1.00 43.23 C ATOM 983 CG1 VAL A 65 6.559 2.569 3.025 1.00 3.24 C ATOM 984 CG2 VAL A 65 5.464 4.240 4.504 1.00 72.52 C ATOM 0 H VAL A 65 3.086 3.535 2.968 1.00 13.33 H new ATOM 0 HA VAL A 65 4.430 1.027 3.681 1.00 60.35 H new ATOM 0 HB VAL A 65 6.053 2.268 5.058 1.00 43.23 H new ATOM 0 HG11 VAL A 65 7.510 3.054 3.244 1.00 3.24 H new ATOM 0 HG12 VAL A 65 6.724 1.504 2.860 1.00 3.24 H new ATOM 0 HG13 VAL A 65 6.123 3.012 2.129 1.00 3.24 H new ATOM 0 HG21 VAL A 65 6.445 4.679 4.686 1.00 72.52 H new ATOM 0 HG22 VAL A 65 4.991 4.745 3.662 1.00 72.52 H new ATOM 0 HG23 VAL A 65 4.843 4.356 5.393 1.00 72.52 H new ATOM 994 N ASN A 66 3.857 1.688 6.277 1.00 70.03 N ATOM 995 CA ASN A 66 3.156 1.783 7.578 1.00 3.53 C ATOM 996 C ASN A 66 1.704 1.324 7.434 1.00 74.11 C ATOM 997 O ASN A 66 0.761 2.112 7.570 1.00 41.31 O ATOM 998 CB ASN A 66 3.237 3.219 8.144 1.00 22.52 C ATOM 999 CG ASN A 66 2.856 3.321 9.622 1.00 33.33 C ATOM 1000 OD1 ASN A 66 3.709 3.164 10.504 1.00 31.20 O ATOM 1001 ND2 ASN A 66 1.623 3.615 9.906 1.00 5.45 N ATOM 0 H ASN A 66 4.740 1.180 6.325 1.00 70.03 H new ATOM 0 HA ASN A 66 3.652 1.121 8.288 1.00 3.53 H new ATOM 0 HB2 ASN A 66 4.252 3.595 8.013 1.00 22.52 H new ATOM 0 HB3 ASN A 66 2.580 3.866 7.563 1.00 22.52 H new ATOM 0 HD21 ASN A 66 1.335 3.723 10.879 1.00 5.45 H new ATOM 0 HD22 ASN A 66 0.942 3.738 9.156 1.00 5.45 H new ATOM 1008 N LEU A 67 1.539 0.065 7.089 1.00 43.15 N ATOM 1009 CA LEU A 67 0.229 -0.467 6.795 1.00 11.21 C ATOM 1010 C LEU A 67 -0.554 -0.856 8.036 1.00 73.44 C ATOM 1011 O LEU A 67 0.011 -1.287 9.054 1.00 74.14 O ATOM 1012 CB LEU A 67 0.302 -1.666 5.851 1.00 61.14 C ATOM 1013 CG LEU A 67 0.926 -1.452 4.472 1.00 33.02 C ATOM 1014 CD1 LEU A 67 0.733 -2.668 3.653 1.00 42.02 C ATOM 1015 CD2 LEU A 67 0.321 -0.268 3.774 1.00 42.13 C ATOM 0 H LEU A 67 2.299 -0.610 7.006 1.00 43.15 H new ATOM 0 HA LEU A 67 -0.304 0.349 6.306 1.00 11.21 H new ATOM 0 HB2 LEU A 67 0.863 -2.454 6.354 1.00 61.14 H new ATOM 0 HB3 LEU A 67 -0.712 -2.040 5.705 1.00 61.14 H new ATOM 0 HG LEU A 67 1.990 -1.256 4.604 1.00 33.02 H new ATOM 0 HD11 LEU A 67 1.177 -2.518 2.669 1.00 42.02 H new ATOM 0 HD12 LEU A 67 1.212 -3.516 4.142 1.00 42.02 H new ATOM 0 HD13 LEU A 67 -0.333 -2.867 3.543 1.00 42.02 H new ATOM 0 HD21 LEU A 67 0.787 -0.144 2.797 1.00 42.13 H new ATOM 0 HD22 LEU A 67 -0.750 -0.428 3.648 1.00 42.13 H new ATOM 0 HD23 LEU A 67 0.486 0.629 4.371 1.00 42.13 H new ATOM 1027 N ARG A 68 -1.842 -0.694 7.925 1.00 72.04 N ATOM 1028 CA ARG A 68 -2.806 -1.075 8.919 1.00 40.05 C ATOM 1029 C ARG A 68 -4.081 -1.385 8.145 1.00 54.22 C ATOM 1030 O ARG A 68 -4.477 -0.601 7.314 1.00 73.12 O ATOM 1031 CB ARG A 68 -3.052 0.114 9.864 1.00 5.02 C ATOM 1032 CG ARG A 68 -3.924 -0.180 11.053 1.00 3.34 C ATOM 1033 CD ARG A 68 -3.221 -1.136 11.977 1.00 14.23 C ATOM 1034 NE ARG A 68 -1.936 -0.587 12.449 1.00 31.53 N ATOM 1035 CZ ARG A 68 -1.101 -1.209 13.279 1.00 32.43 C ATOM 1036 NH1 ARG A 68 -1.410 -2.406 13.757 1.00 11.03 N ATOM 1037 NH2 ARG A 68 0.049 -0.631 13.620 1.00 45.42 N ATOM 0 H ARG A 68 -2.269 -0.273 7.100 1.00 72.04 H new ATOM 0 HA ARG A 68 -2.474 -1.925 9.516 1.00 40.05 H new ATOM 0 HB2 ARG A 68 -2.089 0.478 10.222 1.00 5.02 H new ATOM 0 HB3 ARG A 68 -3.506 0.923 9.292 1.00 5.02 H new ATOM 0 HG2 ARG A 68 -4.158 0.744 11.581 1.00 3.34 H new ATOM 0 HG3 ARG A 68 -4.871 -0.608 10.724 1.00 3.34 H new ATOM 0 HD2 ARG A 68 -3.861 -1.353 12.832 1.00 14.23 H new ATOM 0 HD3 ARG A 68 -3.047 -2.080 11.461 1.00 14.23 H new ATOM 0 HE ARG A 68 -1.667 0.338 12.115 1.00 31.53 H new ATOM 0 HH11 ARG A 68 -2.288 -2.851 13.489 1.00 11.03 H new ATOM 0 HH12 ARG A 68 -0.770 -2.882 14.393 1.00 11.03 H new ATOM 0 HH21 ARG A 68 0.289 0.287 13.246 1.00 45.42 H new ATOM 0 HH22 ARG A 68 0.690 -1.106 14.256 1.00 45.42 H new ATOM 1051 N ILE A 69 -4.703 -2.500 8.387 1.00 33.32 N ATOM 1052 CA ILE A 69 -5.869 -2.855 7.635 1.00 42.44 C ATOM 1053 C ILE A 69 -7.158 -2.434 8.300 1.00 50.01 C ATOM 1054 O ILE A 69 -7.257 -2.394 9.528 1.00 75.53 O ATOM 1055 CB ILE A 69 -5.937 -4.370 7.321 1.00 13.45 C ATOM 1056 CG1 ILE A 69 -5.979 -5.291 8.593 1.00 42.11 C ATOM 1057 CG2 ILE A 69 -4.838 -4.782 6.365 1.00 41.05 C ATOM 1058 CD1 ILE A 69 -4.792 -5.240 9.556 1.00 71.43 C ATOM 0 H ILE A 69 -4.424 -3.177 9.097 1.00 33.32 H new ATOM 0 HA ILE A 69 -5.767 -2.302 6.701 1.00 42.44 H new ATOM 0 HB ILE A 69 -6.897 -4.525 6.829 1.00 13.45 H new ATOM 0 HG12 ILE A 69 -6.878 -5.041 9.157 1.00 42.11 H new ATOM 0 HG13 ILE A 69 -6.091 -6.321 8.256 1.00 42.11 H new ATOM 0 HG21 ILE A 69 -4.912 -5.851 6.164 1.00 41.05 H new ATOM 0 HG22 ILE A 69 -4.942 -4.229 5.431 1.00 41.05 H new ATOM 0 HG23 ILE A 69 -3.867 -4.563 6.810 1.00 41.05 H new ATOM 0 HD11 ILE A 69 -4.965 -5.928 10.383 1.00 71.43 H new ATOM 0 HD12 ILE A 69 -3.883 -5.528 9.028 1.00 71.43 H new ATOM 0 HD13 ILE A 69 -4.681 -4.227 9.944 1.00 71.43 H new ATOM 1070 N LYS A 70 -8.112 -2.079 7.480 1.00 24.01 N ATOM 1071 CA LYS A 70 -9.471 -1.819 7.925 1.00 70.13 C ATOM 1072 C LYS A 70 -10.317 -3.069 7.672 1.00 43.33 C ATOM 1073 O LYS A 70 -10.911 -3.183 6.580 1.00 39.14 O ATOM 1074 CB LYS A 70 -10.099 -0.641 7.173 1.00 72.13 C ATOM 1075 CG LYS A 70 -9.490 0.719 7.415 1.00 12.51 C ATOM 1076 CD LYS A 70 -10.164 1.792 6.543 1.00 64.04 C ATOM 1077 CE LYS A 70 -11.666 1.917 6.832 1.00 62.22 C ATOM 1078 NZ LYS A 70 -12.328 2.908 5.947 1.00 22.53 N ATOM 1079 OXT LYS A 70 -10.377 -3.958 8.557 1.00 39.14 O ATOM 0 H LYS A 70 -7.975 -1.959 6.476 1.00 24.01 H new ATOM 0 HA LYS A 70 -9.441 -1.569 8.986 1.00 70.13 H new ATOM 0 HB2 LYS A 70 -10.047 -0.852 6.105 1.00 72.13 H new ATOM 0 HB3 LYS A 70 -11.155 -0.593 7.437 1.00 72.13 H new ATOM 0 HG2 LYS A 70 -9.592 0.984 8.467 1.00 12.51 H new ATOM 0 HG3 LYS A 70 -8.423 0.687 7.197 1.00 12.51 H new ATOM 0 HD2 LYS A 70 -9.681 2.754 6.716 1.00 64.04 H new ATOM 0 HD3 LYS A 70 -10.018 1.547 5.491 1.00 64.04 H new ATOM 0 HE2 LYS A 70 -12.141 0.944 6.704 1.00 62.22 H new ATOM 0 HE3 LYS A 70 -11.811 2.208 7.872 1.00 62.22 H new ATOM 0 HZ1 LYS A 70 -13.341 2.958 6.179 1.00 22.53 H new ATOM 0 HZ2 LYS A 70 -11.894 3.843 6.087 1.00 22.53 H new ATOM 0 HZ3 LYS A 70 -12.214 2.618 4.955 1.00 22.53 H new TER 1093 LYS A 70