USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 137:sc= -1.31 (180deg=-1.91!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -106:sc= 1.16 (180deg=-1.15) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.1 K(o=1.1,f=0.38) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc=-0.00248 (180deg=-0.142) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 14 THR OG1 : rot 106:sc= -3.78! USER MOD Single : A 15 ASN : amide:sc= -1.86 K(o=-1.9,f=0.032) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -1.36 USER MOD Single : A 29 THR OG1 : rot 169:sc= -0.053 USER MOD Single : A 34 GLN : amide:sc= -2.77 X(o=-2.8,f=-3.2!) USER MOD Single : A 36 SER OG : rot 74:sc= 0.469 USER MOD Single : A 42 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.78! C(o=-4.8!,f=-11!) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 66 MET CE :methyl 148:sc= -0.217 (180deg=-0.977) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.73 K(o=-2.7,f=-3.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 11.376 11.023 -4.905 1.00 0.00 N ATOM 24 CA GLU A 7 10.025 10.774 -4.416 1.00 0.00 C ATOM 25 C GLU A 7 10.029 10.486 -2.914 1.00 0.00 C ATOM 26 O GLU A 7 10.975 10.838 -2.211 1.00 0.00 O ATOM 27 CB GLU A 7 9.399 9.611 -5.185 1.00 0.00 C ATOM 28 CG GLU A 7 10.139 8.297 -5.011 1.00 0.00 C ATOM 29 CD GLU A 7 10.140 7.457 -6.274 1.00 0.00 C ATOM 30 OE1 GLU A 7 9.066 6.938 -6.642 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.216 7.319 -6.893 1.00 0.00 O ATOM 0 HA GLU A 7 9.427 11.670 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.367 9.483 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.368 9.863 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.168 8.500 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.679 7.730 -4.202 1.00 0.00 H new ATOM 38 N LYS A 8 8.963 9.853 -2.425 1.00 0.00 N ATOM 39 CA LYS A 8 8.851 9.534 -1.006 1.00 0.00 C ATOM 40 C LYS A 8 9.179 8.069 -0.735 1.00 0.00 C ATOM 41 O LYS A 8 9.237 7.249 -1.653 1.00 0.00 O ATOM 42 CB LYS A 8 7.444 9.854 -0.492 1.00 0.00 C ATOM 43 CG LYS A 8 6.328 9.244 -1.325 1.00 0.00 C ATOM 44 CD LYS A 8 4.972 9.806 -0.932 1.00 0.00 C ATOM 45 CE LYS A 8 3.879 8.755 -1.041 1.00 0.00 C ATOM 46 NZ LYS A 8 2.567 9.354 -1.410 1.00 0.00 N ATOM 0 H LYS A 8 8.168 9.553 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 8 9.576 10.150 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.354 9.498 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.315 10.936 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.512 9.439 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.326 8.162 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.016 10.182 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.729 10.653 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.162 8.013 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.784 8.230 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.944 9.365 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.712 10.327 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.127 8.788 -2.164 1.00 0.00 H new ATOM 60 N LYS A 9 9.389 7.751 0.538 1.00 0.00 N ATOM 61 CA LYS A 9 9.708 6.390 0.957 1.00 0.00 C ATOM 62 C LYS A 9 8.773 5.943 2.077 1.00 0.00 C ATOM 63 O LYS A 9 8.539 6.680 3.034 1.00 0.00 O ATOM 64 CB LYS A 9 11.163 6.308 1.425 1.00 0.00 C ATOM 65 CG LYS A 9 11.549 4.948 1.991 1.00 0.00 C ATOM 66 CD LYS A 9 11.819 5.022 3.487 1.00 0.00 C ATOM 67 CE LYS A 9 13.309 5.052 3.782 1.00 0.00 C ATOM 68 NZ LYS A 9 13.914 3.692 3.730 1.00 0.00 N ATOM 0 H LYS A 9 9.344 8.423 1.304 1.00 0.00 H new ATOM 0 HA LYS A 9 9.573 5.725 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.819 6.542 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.334 7.070 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.749 4.233 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.437 4.578 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.347 5.914 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.366 4.163 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.809 5.699 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.475 5.486 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.853 3.712 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.303 3.021 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.009 3.392 2.739 1.00 0.00 H new ATOM 82 N ILE A 10 8.235 4.735 1.948 1.00 0.00 N ATOM 83 CA ILE A 10 7.320 4.195 2.950 1.00 0.00 C ATOM 84 C ILE A 10 7.693 2.761 3.314 1.00 0.00 C ATOM 85 O ILE A 10 8.442 2.103 2.593 1.00 0.00 O ATOM 86 CB ILE A 10 5.849 4.232 2.469 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.696 5.131 1.236 1.00 0.00 C ATOM 88 CG2 ILE A 10 4.940 4.715 3.589 1.00 0.00 C ATOM 89 CD1 ILE A 10 5.912 6.600 1.528 1.00 0.00 C ATOM 0 H ILE A 10 8.416 4.111 1.161 1.00 0.00 H new ATOM 0 HA ILE A 10 7.412 4.830 3.831 1.00 0.00 H new ATOM 0 HB ILE A 10 5.558 3.219 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.407 4.812 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.698 4.995 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.909 4.736 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.019 4.038 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.240 5.718 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.788 7.175 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.184 6.935 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.919 6.749 1.917 1.00 0.00 H new ATOM 101 N ARG A 11 7.169 2.281 4.440 1.00 0.00 N ATOM 102 CA ARG A 11 7.453 0.925 4.899 1.00 0.00 C ATOM 103 C ARG A 11 6.325 -0.028 4.518 1.00 0.00 C ATOM 104 O ARG A 11 5.197 0.397 4.275 1.00 0.00 O ATOM 105 CB ARG A 11 7.658 0.909 6.414 1.00 0.00 C ATOM 106 CG ARG A 11 7.992 -0.467 6.968 1.00 0.00 C ATOM 107 CD ARG A 11 8.215 -0.424 8.471 1.00 0.00 C ATOM 108 NE ARG A 11 9.441 0.288 8.825 1.00 0.00 N ATOM 109 CZ ARG A 11 10.657 -0.249 8.753 1.00 0.00 C ATOM 110 NH1 ARG A 11 10.814 -1.500 8.338 1.00 0.00 N ATOM 111 NH2 ARG A 11 11.720 0.466 9.097 1.00 0.00 N ATOM 0 H ARG A 11 6.546 2.811 5.050 1.00 0.00 H new ATOM 0 HA ARG A 11 8.368 0.589 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.461 1.600 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.754 1.277 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.181 -1.159 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.887 -0.850 6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.364 0.061 8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.262 -1.441 8.859 1.00 0.00 H new ATOM 0 HE ARG A 11 9.360 1.253 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.001 -2.055 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.748 -1.906 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.606 1.428 9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.651 0.054 9.042 1.00 0.00 H new ATOM 125 N ILE A 12 6.637 -1.321 4.473 1.00 0.00 N ATOM 126 CA ILE A 12 5.650 -2.338 4.127 1.00 0.00 C ATOM 127 C ILE A 12 5.801 -3.569 5.014 1.00 0.00 C ATOM 128 O ILE A 12 6.909 -3.927 5.414 1.00 0.00 O ATOM 129 CB ILE A 12 5.774 -2.789 2.658 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.679 -1.594 1.705 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.700 -3.815 2.336 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.374 -1.827 0.378 1.00 0.00 C ATOM 0 H ILE A 12 7.567 -1.689 4.672 1.00 0.00 H new ATOM 0 HA ILE A 12 4.673 -1.879 4.280 1.00 0.00 H new ATOM 0 HB ILE A 12 6.753 -3.248 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.629 -1.367 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.115 -0.719 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.796 -4.128 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.817 -4.681 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.716 -3.373 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.268 -0.941 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.432 -2.025 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.922 -2.683 -0.124 1.00 0.00 H new ATOM 144 N THR A 13 4.681 -4.222 5.307 1.00 0.00 N ATOM 145 CA THR A 13 4.700 -5.421 6.132 1.00 0.00 C ATOM 146 C THR A 13 3.545 -6.354 5.787 1.00 0.00 C ATOM 147 O THR A 13 2.381 -6.012 5.983 1.00 0.00 O ATOM 148 CB THR A 13 4.646 -5.055 7.609 1.00 0.00 C ATOM 149 OG1 THR A 13 5.286 -3.812 7.844 1.00 0.00 O ATOM 150 CG2 THR A 13 5.308 -6.088 8.483 1.00 0.00 C ATOM 0 H THR A 13 3.754 -3.942 4.987 1.00 0.00 H new ATOM 0 HA THR A 13 5.634 -5.945 5.927 1.00 0.00 H new ATOM 0 HB THR A 13 3.588 -4.999 7.865 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.239 -3.595 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.242 -5.779 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.806 -7.047 8.356 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.356 -6.187 8.200 1.00 0.00 H new ATOM 158 N THR A 14 3.870 -7.539 5.277 1.00 0.00 N ATOM 159 CA THR A 14 2.847 -8.510 4.910 1.00 0.00 C ATOM 160 C THR A 14 2.419 -9.347 6.106 1.00 0.00 C ATOM 161 O THR A 14 3.237 -9.712 6.958 1.00 0.00 O ATOM 162 CB THR A 14 3.325 -9.424 3.784 1.00 0.00 C ATOM 163 OG1 THR A 14 3.908 -10.606 4.300 1.00 0.00 O ATOM 164 CG2 THR A 14 4.334 -8.767 2.871 1.00 0.00 C ATOM 0 H THR A 14 4.828 -7.847 5.110 1.00 0.00 H new ATOM 0 HA THR A 14 1.985 -7.943 4.557 1.00 0.00 H new ATOM 0 HB THR A 14 2.432 -9.655 3.204 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.293 -11.358 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.633 -9.470 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.889 -7.885 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.210 -8.472 3.449 1.00 0.00 H new ATOM 172 N ASN A 15 1.123 -9.644 6.141 1.00 0.00 N ATOM 173 CA ASN A 15 0.521 -10.433 7.210 1.00 0.00 C ATOM 174 C ASN A 15 1.280 -11.736 7.446 1.00 0.00 C ATOM 175 O ASN A 15 1.260 -12.282 8.548 1.00 0.00 O ATOM 176 CB ASN A 15 -0.954 -10.714 6.878 1.00 0.00 C ATOM 177 CG ASN A 15 -1.172 -12.037 6.167 1.00 0.00 C ATOM 178 OD1 ASN A 15 -1.738 -12.973 6.731 1.00 0.00 O ATOM 179 ND2 ASN A 15 -0.722 -12.117 4.924 1.00 0.00 N ATOM 0 H ASN A 15 0.460 -9.343 5.427 1.00 0.00 H new ATOM 0 HA ASN A 15 0.578 -9.857 8.133 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.534 -10.706 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.338 -9.907 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.839 -12.981 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.259 -11.315 4.497 1.00 0.00 H new ATOM 186 N ASP A 16 1.948 -12.231 6.409 1.00 0.00 N ATOM 187 CA ASP A 16 2.707 -13.469 6.528 1.00 0.00 C ATOM 188 C ASP A 16 3.804 -13.335 7.582 1.00 0.00 C ATOM 189 O ASP A 16 4.308 -14.334 8.095 1.00 0.00 O ATOM 190 CB ASP A 16 3.311 -13.862 5.178 1.00 0.00 C ATOM 191 CG ASP A 16 3.015 -15.305 4.818 1.00 0.00 C ATOM 192 OD1 ASP A 16 3.151 -16.177 5.703 1.00 0.00 O ATOM 193 OD2 ASP A 16 2.647 -15.563 3.654 1.00 0.00 O ATOM 0 H ASP A 16 1.979 -11.798 5.486 1.00 0.00 H new ATOM 0 HA ASP A 16 2.022 -14.256 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.917 -13.207 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.390 -13.710 5.206 1.00 0.00 H new ATOM 198 N GLY A 17 4.163 -12.094 7.906 1.00 0.00 N ATOM 199 CA GLY A 17 5.188 -11.856 8.902 1.00 0.00 C ATOM 200 C GLY A 17 6.468 -11.307 8.306 1.00 0.00 C ATOM 201 O GLY A 17 7.555 -11.552 8.830 1.00 0.00 O ATOM 0 H GLY A 17 3.761 -11.252 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.809 -11.156 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.406 -12.788 9.423 1.00 0.00 H new ATOM 205 N ARG A 18 6.348 -10.562 7.210 1.00 0.00 N ATOM 206 CA ARG A 18 7.523 -9.983 6.561 1.00 0.00 C ATOM 207 C ARG A 18 7.324 -8.494 6.294 1.00 0.00 C ATOM 208 O ARG A 18 6.193 -8.025 6.186 1.00 0.00 O ATOM 209 CB ARG A 18 7.832 -10.726 5.256 1.00 0.00 C ATOM 210 CG ARG A 18 6.936 -10.332 4.095 1.00 0.00 C ATOM 211 CD ARG A 18 7.148 -11.242 2.899 1.00 0.00 C ATOM 212 NE ARG A 18 6.911 -12.645 3.229 1.00 0.00 N ATOM 213 CZ ARG A 18 5.749 -13.267 3.049 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.686 -12.598 2.617 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.644 -14.560 3.321 1.00 0.00 N ATOM 0 H ARG A 18 5.460 -10.346 6.756 1.00 0.00 H new ATOM 0 HA ARG A 18 8.372 -10.093 7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.870 -10.539 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.736 -11.798 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.893 -10.376 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.140 -9.300 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.480 -10.942 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.167 -11.124 2.530 1.00 0.00 H new ATOM 0 HE ARG A 18 7.685 -13.181 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.757 -11.600 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.799 -13.083 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.453 -15.076 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.754 -15.039 3.184 1.00 0.00 H new ATOM 229 N GLN A 19 8.427 -7.755 6.190 1.00 0.00 N ATOM 230 CA GLN A 19 8.359 -6.316 5.939 1.00 0.00 C ATOM 231 C GLN A 19 9.447 -5.861 4.971 1.00 0.00 C ATOM 232 O GLN A 19 10.482 -6.511 4.825 1.00 0.00 O ATOM 233 CB GLN A 19 8.476 -5.526 7.248 1.00 0.00 C ATOM 234 CG GLN A 19 9.318 -6.209 8.317 1.00 0.00 C ATOM 235 CD GLN A 19 10.414 -5.313 8.859 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.481 -5.184 8.258 1.00 0.00 O ATOM 237 NE2 GLN A 19 10.156 -4.688 10.002 1.00 0.00 N ATOM 0 H GLN A 19 9.373 -8.126 6.275 1.00 0.00 H new ATOM 0 HA GLN A 19 7.388 -6.118 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.907 -4.548 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.476 -5.353 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.672 -6.523 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.765 -7.111 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.258 -4.824 10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.856 -4.072 10.416 1.00 0.00 H new ATOM 246 N SER A 20 9.196 -4.729 4.317 1.00 0.00 N ATOM 247 CA SER A 20 10.140 -4.160 3.362 1.00 0.00 C ATOM 248 C SER A 20 9.790 -2.703 3.068 1.00 0.00 C ATOM 249 O SER A 20 8.628 -2.306 3.157 1.00 0.00 O ATOM 250 CB SER A 20 10.141 -4.973 2.066 1.00 0.00 C ATOM 251 OG SER A 20 11.464 -5.262 1.645 1.00 0.00 O ATOM 0 H SER A 20 8.341 -4.186 4.433 1.00 0.00 H new ATOM 0 HA SER A 20 11.137 -4.197 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.593 -5.903 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.621 -4.419 1.285 1.00 0.00 H new ATOM 0 HG SER A 20 11.437 -5.784 0.816 1.00 0.00 H new ATOM 257 N MET A 21 10.796 -1.910 2.719 1.00 0.00 N ATOM 258 CA MET A 21 10.584 -0.498 2.414 1.00 0.00 C ATOM 259 C MET A 21 10.549 -0.263 0.912 1.00 0.00 C ATOM 260 O MET A 21 11.023 -1.085 0.131 1.00 0.00 O ATOM 261 CB MET A 21 11.672 0.365 3.070 1.00 0.00 C ATOM 262 CG MET A 21 13.010 0.355 2.342 1.00 0.00 C ATOM 263 SD MET A 21 14.034 -1.063 2.781 1.00 0.00 S ATOM 264 CE MET A 21 13.797 -2.110 1.347 1.00 0.00 C ATOM 0 H MET A 21 11.765 -2.219 2.640 1.00 0.00 H new ATOM 0 HA MET A 21 9.617 -0.206 2.823 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.314 1.393 3.132 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.826 0.018 4.092 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.833 0.351 1.266 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.551 1.273 2.572 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.753 -2.538 1.047 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.101 -2.912 1.593 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.392 -1.517 0.527 1.00 0.00 H new ATOM 274 N VAL A 22 9.974 0.864 0.516 1.00 0.00 N ATOM 275 CA VAL A 22 9.867 1.203 -0.892 1.00 0.00 C ATOM 276 C VAL A 22 10.041 2.699 -1.122 1.00 0.00 C ATOM 277 O VAL A 22 10.099 3.483 -0.176 1.00 0.00 O ATOM 278 CB VAL A 22 8.506 0.768 -1.461 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.479 -0.733 -1.701 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.379 1.186 -0.530 1.00 0.00 C ATOM 0 H VAL A 22 9.576 1.557 1.150 1.00 0.00 H new ATOM 0 HA VAL A 22 10.666 0.669 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 22 8.360 1.267 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.507 -1.020 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.260 -1.002 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.650 -1.255 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.424 0.869 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.520 0.719 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.384 2.270 -0.417 1.00 0.00 H new ATOM 290 N THR A 23 10.121 3.085 -2.391 1.00 0.00 N ATOM 291 CA THR A 23 10.287 4.485 -2.761 1.00 0.00 C ATOM 292 C THR A 23 9.038 5.003 -3.468 1.00 0.00 C ATOM 293 O THR A 23 9.121 5.629 -4.526 1.00 0.00 O ATOM 294 CB THR A 23 11.510 4.649 -3.667 1.00 0.00 C ATOM 295 OG1 THR A 23 11.865 6.016 -3.803 1.00 0.00 O ATOM 296 CG2 THR A 23 11.300 4.086 -5.055 1.00 0.00 C ATOM 0 H THR A 23 10.073 2.444 -3.183 1.00 0.00 H new ATOM 0 HA THR A 23 10.438 5.068 -1.852 1.00 0.00 H new ATOM 0 HB THR A 23 12.307 4.088 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.650 6.094 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.203 4.233 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.081 3.020 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.465 4.598 -5.533 1.00 0.00 H new ATOM 304 N LEU A 24 7.880 4.728 -2.878 1.00 0.00 N ATOM 305 CA LEU A 24 6.598 5.152 -3.442 1.00 0.00 C ATOM 306 C LEU A 24 6.661 6.585 -3.966 1.00 0.00 C ATOM 307 O LEU A 24 7.108 7.495 -3.269 1.00 0.00 O ATOM 308 CB LEU A 24 5.493 5.031 -2.391 1.00 0.00 C ATOM 309 CG LEU A 24 4.173 4.453 -2.904 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.351 3.000 -3.315 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.089 4.581 -1.844 1.00 0.00 C ATOM 0 H LEU A 24 7.800 4.210 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 24 6.373 4.496 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.855 4.404 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.301 6.019 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 24 3.865 5.022 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.402 2.605 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.097 2.935 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.682 2.417 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.156 4.165 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.390 4.037 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.943 5.633 -1.598 1.00 0.00 H new ATOM 323 N LYS A 25 6.210 6.772 -5.202 1.00 0.00 N ATOM 324 CA LYS A 25 6.211 8.086 -5.830 1.00 0.00 C ATOM 325 C LYS A 25 5.196 9.009 -5.163 1.00 0.00 C ATOM 326 O LYS A 25 4.211 8.550 -4.584 1.00 0.00 O ATOM 327 CB LYS A 25 5.906 7.959 -7.325 1.00 0.00 C ATOM 328 CG LYS A 25 7.047 8.421 -8.217 1.00 0.00 C ATOM 329 CD LYS A 25 6.533 9.151 -9.448 1.00 0.00 C ATOM 330 CE LYS A 25 5.750 10.397 -9.068 1.00 0.00 C ATOM 331 NZ LYS A 25 5.995 11.517 -10.019 1.00 0.00 N ATOM 0 H LYS A 25 5.838 6.026 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 25 7.202 8.522 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.675 6.919 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.015 8.542 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.708 9.079 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.641 7.560 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.373 9.428 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.897 8.483 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.685 10.165 -9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.028 10.708 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.443 12.348 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.007 11.756 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.706 11.230 -10.976 1.00 0.00 H new ATOM 345 N SER A 26 5.444 10.312 -5.244 1.00 0.00 N ATOM 346 CA SER A 26 4.554 11.299 -4.646 1.00 0.00 C ATOM 347 C SER A 26 3.169 11.240 -5.283 1.00 0.00 C ATOM 348 O SER A 26 2.161 11.499 -4.626 1.00 0.00 O ATOM 349 CB SER A 26 5.140 12.703 -4.796 1.00 0.00 C ATOM 350 OG SER A 26 6.057 12.987 -3.754 1.00 0.00 O ATOM 0 H SER A 26 6.255 10.709 -5.719 1.00 0.00 H new ATOM 0 HA SER A 26 4.455 11.067 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.642 12.790 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.336 13.439 -4.788 1.00 0.00 H new ATOM 0 HG SER A 26 6.419 13.890 -3.874 1.00 0.00 H new ATOM 356 N SER A 27 3.128 10.898 -6.567 1.00 0.00 N ATOM 357 CA SER A 27 1.867 10.804 -7.293 1.00 0.00 C ATOM 358 C SER A 27 1.528 9.351 -7.605 1.00 0.00 C ATOM 359 O SER A 27 1.042 9.035 -8.692 1.00 0.00 O ATOM 360 CB SER A 27 1.940 11.614 -8.588 1.00 0.00 C ATOM 361 OG SER A 27 2.567 12.867 -8.372 1.00 0.00 O ATOM 0 H SER A 27 3.953 10.681 -7.126 1.00 0.00 H new ATOM 0 HA SER A 27 1.079 11.214 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.493 11.052 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.935 11.770 -8.980 1.00 0.00 H new ATOM 0 HG SER A 27 2.603 13.365 -9.215 1.00 0.00 H new ATOM 367 N THR A 28 1.787 8.469 -6.645 1.00 0.00 N ATOM 368 CA THR A 28 1.510 7.048 -6.816 1.00 0.00 C ATOM 369 C THR A 28 0.161 6.682 -6.201 1.00 0.00 C ATOM 370 O THR A 28 -0.053 6.851 -5.002 1.00 0.00 O ATOM 371 CB THR A 28 2.635 6.212 -6.190 1.00 0.00 C ATOM 372 OG1 THR A 28 3.707 6.062 -7.105 1.00 0.00 O ATOM 373 CG2 THR A 28 2.206 4.821 -5.759 1.00 0.00 C ATOM 0 H THR A 28 2.189 8.714 -5.740 1.00 0.00 H new ATOM 0 HA THR A 28 1.465 6.829 -7.883 1.00 0.00 H new ATOM 0 HB THR A 28 2.935 6.765 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.257 5.295 -6.842 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.057 4.295 -5.327 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.413 4.899 -5.016 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.839 4.269 -6.624 1.00 0.00 H new ATOM 381 N THR A 29 -0.741 6.176 -7.034 1.00 0.00 N ATOM 382 CA THR A 29 -2.067 5.778 -6.576 1.00 0.00 C ATOM 383 C THR A 29 -2.062 4.320 -6.130 1.00 0.00 C ATOM 384 O THR A 29 -1.043 3.636 -6.227 1.00 0.00 O ATOM 385 CB THR A 29 -3.097 5.989 -7.688 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.346 5.417 -7.335 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.674 5.398 -9.016 1.00 0.00 C ATOM 0 H THR A 29 -0.578 6.032 -8.031 1.00 0.00 H new ATOM 0 HA THR A 29 -2.340 6.400 -5.723 1.00 0.00 H new ATOM 0 HB THR A 29 -3.180 7.070 -7.802 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.032 5.711 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.449 5.583 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.742 5.861 -9.340 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.526 4.324 -8.906 1.00 0.00 H new ATOM 395 N PHE A 30 -3.205 3.847 -5.639 1.00 0.00 N ATOM 396 CA PHE A 30 -3.326 2.465 -5.177 1.00 0.00 C ATOM 397 C PHE A 30 -2.741 1.490 -6.195 1.00 0.00 C ATOM 398 O PHE A 30 -2.020 0.560 -5.834 1.00 0.00 O ATOM 399 CB PHE A 30 -4.792 2.120 -4.908 1.00 0.00 C ATOM 400 CG PHE A 30 -4.989 0.733 -4.366 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.650 0.432 -3.056 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.508 -0.270 -5.168 1.00 0.00 C ATOM 403 CE1 PHE A 30 -4.828 -0.844 -2.556 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.689 -1.548 -4.673 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.348 -1.835 -3.365 1.00 0.00 C ATOM 0 H PHE A 30 -4.059 4.398 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.761 2.372 -4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.203 2.840 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.358 2.224 -5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.242 1.203 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.774 -0.051 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.561 -1.066 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.096 -2.321 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.488 -2.833 -2.976 1.00 0.00 H new ATOM 415 N PHE A 31 -3.055 1.710 -7.468 1.00 0.00 N ATOM 416 CA PHE A 31 -2.556 0.850 -8.534 1.00 0.00 C ATOM 417 C PHE A 31 -1.032 0.857 -8.565 1.00 0.00 C ATOM 418 O PHE A 31 -0.396 -0.196 -8.597 1.00 0.00 O ATOM 419 CB PHE A 31 -3.107 1.306 -9.887 1.00 0.00 C ATOM 420 CG PHE A 31 -4.605 1.405 -9.923 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.384 0.267 -10.061 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.233 2.635 -9.821 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.763 0.355 -10.096 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.612 2.729 -9.855 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.378 1.588 -9.992 1.00 0.00 C ATOM 0 H PHE A 31 -3.651 2.474 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.895 -0.167 -8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.681 2.278 -10.135 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.779 0.608 -10.658 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.908 -0.699 -10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.639 3.531 -9.714 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.359 -0.539 -10.205 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.090 3.694 -9.774 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.455 1.659 -10.018 1.00 0.00 H new ATOM 435 N GLU A 32 -0.451 2.054 -8.550 1.00 0.00 N ATOM 436 CA GLU A 32 0.999 2.200 -8.571 1.00 0.00 C ATOM 437 C GLU A 32 1.622 1.591 -7.318 1.00 0.00 C ATOM 438 O GLU A 32 2.756 1.113 -7.347 1.00 0.00 O ATOM 439 CB GLU A 32 1.383 3.676 -8.683 1.00 0.00 C ATOM 440 CG GLU A 32 1.490 4.171 -10.116 1.00 0.00 C ATOM 441 CD GLU A 32 2.748 4.981 -10.362 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.833 4.374 -10.476 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.648 6.224 -10.443 1.00 0.00 O ATOM 0 H GLU A 32 -0.963 2.936 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 32 1.382 1.668 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.642 4.276 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.338 3.833 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.474 3.317 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.618 4.781 -10.352 1.00 0.00 H new ATOM 450 N LEU A 33 0.872 1.613 -6.221 1.00 0.00 N ATOM 451 CA LEU A 33 1.349 1.062 -4.958 1.00 0.00 C ATOM 452 C LEU A 33 1.304 -0.463 -4.981 1.00 0.00 C ATOM 453 O LEU A 33 2.232 -1.129 -4.522 1.00 0.00 O ATOM 454 CB LEU A 33 0.508 1.599 -3.794 1.00 0.00 C ATOM 455 CG LEU A 33 0.755 0.927 -2.440 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.244 0.868 -2.133 1.00 0.00 C ATOM 457 CD2 LEU A 33 0.012 1.666 -1.338 1.00 0.00 C ATOM 0 H LEU A 33 -0.068 2.006 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 33 2.385 1.372 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.701 2.667 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.546 1.489 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 33 0.376 -0.094 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.398 0.387 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.753 0.295 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.650 1.879 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.198 1.176 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.362 2.697 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.057 1.655 -1.550 1.00 0.00 H new ATOM 469 N GLN A 34 0.220 -1.010 -5.522 1.00 0.00 N ATOM 470 CA GLN A 34 0.058 -2.456 -5.608 1.00 0.00 C ATOM 471 C GLN A 34 1.178 -3.079 -6.434 1.00 0.00 C ATOM 472 O GLN A 34 1.561 -4.229 -6.214 1.00 0.00 O ATOM 473 CB GLN A 34 -1.298 -2.802 -6.226 1.00 0.00 C ATOM 474 CG GLN A 34 -2.479 -2.474 -5.327 1.00 0.00 C ATOM 475 CD GLN A 34 -3.045 -3.700 -4.639 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.244 -3.968 -4.708 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.180 -4.453 -3.968 1.00 0.00 N ATOM 0 H GLN A 34 -0.558 -0.474 -5.907 1.00 0.00 H new ATOM 0 HA GLN A 34 0.104 -2.863 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.407 -2.262 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.318 -3.865 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.168 -1.750 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.262 -2.000 -5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.194 -4.193 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.502 -5.291 -3.484 1.00 0.00 H new ATOM 486 N GLU A 35 1.701 -2.311 -7.384 1.00 0.00 N ATOM 487 CA GLU A 35 2.780 -2.786 -8.244 1.00 0.00 C ATOM 488 C GLU A 35 4.133 -2.653 -7.550 1.00 0.00 C ATOM 489 O GLU A 35 5.075 -3.379 -7.865 1.00 0.00 O ATOM 490 CB GLU A 35 2.790 -2.005 -9.559 1.00 0.00 C ATOM 491 CG GLU A 35 3.871 -2.458 -10.528 1.00 0.00 C ATOM 492 CD GLU A 35 3.355 -2.622 -11.944 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.897 -3.733 -12.284 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.407 -1.638 -12.713 1.00 0.00 O ATOM 0 H GLU A 35 1.396 -1.357 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 35 2.605 -3.841 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.817 -2.107 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.929 -0.946 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.684 -1.732 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.287 -3.405 -10.185 1.00 0.00 H new ATOM 501 N SER A 36 4.223 -1.723 -6.602 1.00 0.00 N ATOM 502 CA SER A 36 5.462 -1.501 -5.866 1.00 0.00 C ATOM 503 C SER A 36 5.730 -2.648 -4.898 1.00 0.00 C ATOM 504 O SER A 36 6.818 -3.224 -4.888 1.00 0.00 O ATOM 505 CB SER A 36 5.397 -0.177 -5.101 1.00 0.00 C ATOM 506 OG SER A 36 5.429 0.927 -5.988 1.00 0.00 O ATOM 0 H SER A 36 3.453 -1.113 -6.327 1.00 0.00 H new ATOM 0 HA SER A 36 6.280 -1.456 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.485 -0.142 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.234 -0.113 -4.406 1.00 0.00 H new ATOM 0 HG SER A 36 4.565 1.005 -6.444 1.00 0.00 H new ATOM 512 N ILE A 37 4.730 -2.978 -4.087 1.00 0.00 N ATOM 513 CA ILE A 37 4.858 -4.061 -3.120 1.00 0.00 C ATOM 514 C ILE A 37 5.201 -5.370 -3.815 1.00 0.00 C ATOM 515 O ILE A 37 5.985 -6.171 -3.305 1.00 0.00 O ATOM 516 CB ILE A 37 3.559 -4.246 -2.309 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.118 -2.916 -1.694 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.753 -5.301 -1.229 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.646 -2.622 -1.888 1.00 0.00 C ATOM 0 H ILE A 37 3.823 -2.511 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 37 5.665 -3.789 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 37 2.774 -4.587 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.341 -2.926 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.703 -2.109 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.827 -5.420 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.020 -6.251 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.551 -4.989 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.402 -1.665 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.421 -2.580 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.053 -3.410 -1.423 1.00 0.00 H new ATOM 531 N ALA A 38 4.615 -5.580 -4.988 1.00 0.00 N ATOM 532 CA ALA A 38 4.865 -6.790 -5.758 1.00 0.00 C ATOM 533 C ALA A 38 6.344 -6.918 -6.113 1.00 0.00 C ATOM 534 O ALA A 38 6.814 -8.000 -6.471 1.00 0.00 O ATOM 535 CB ALA A 38 4.011 -6.800 -7.017 1.00 0.00 C ATOM 0 H ALA A 38 3.964 -4.928 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 38 4.592 -7.647 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.208 -7.710 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.957 -6.765 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.255 -5.932 -7.629 1.00 0.00 H new ATOM 541 N ARG A 39 7.078 -5.811 -6.009 1.00 0.00 N ATOM 542 CA ARG A 39 8.505 -5.810 -6.316 1.00 0.00 C ATOM 543 C ARG A 39 9.320 -6.102 -5.064 1.00 0.00 C ATOM 544 O ARG A 39 10.272 -6.883 -5.095 1.00 0.00 O ATOM 545 CB ARG A 39 8.929 -4.460 -6.903 1.00 0.00 C ATOM 546 CG ARG A 39 7.859 -3.792 -7.751 1.00 0.00 C ATOM 547 CD ARG A 39 8.462 -2.779 -8.710 1.00 0.00 C ATOM 548 NE ARG A 39 7.584 -2.507 -9.845 1.00 0.00 N ATOM 549 CZ ARG A 39 7.946 -1.790 -10.907 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.166 -1.273 -10.983 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.086 -1.591 -11.896 1.00 0.00 N ATOM 0 H ARG A 39 6.708 -4.907 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 39 8.693 -6.591 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.202 -3.790 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.822 -4.604 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.314 -4.549 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.136 -3.296 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.662 -1.850 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.420 -3.151 -9.074 1.00 0.00 H new ATOM 0 HE ARG A 39 6.638 -2.889 -9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.832 -1.424 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.438 -0.725 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.148 -1.987 -11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.363 -1.042 -12.710 1.00 0.00 H new ATOM 565 N GLU A 40 8.940 -5.463 -3.962 1.00 0.00 N ATOM 566 CA GLU A 40 9.633 -5.644 -2.694 1.00 0.00 C ATOM 567 C GLU A 40 9.322 -7.007 -2.083 1.00 0.00 C ATOM 568 O GLU A 40 10.138 -7.568 -1.351 1.00 0.00 O ATOM 569 CB GLU A 40 9.245 -4.532 -1.718 1.00 0.00 C ATOM 570 CG GLU A 40 10.354 -3.524 -1.476 1.00 0.00 C ATOM 571 CD GLU A 40 10.823 -2.855 -2.753 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.048 -2.839 -3.734 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.965 -2.350 -2.775 1.00 0.00 O ATOM 0 H GLU A 40 8.154 -4.814 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 40 10.705 -5.596 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.369 -4.011 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.957 -4.979 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.002 -2.763 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.198 -4.025 -1.002 1.00 0.00 H new ATOM 580 N PHE A 41 8.139 -7.531 -2.380 1.00 0.00 N ATOM 581 CA PHE A 41 7.724 -8.826 -1.851 1.00 0.00 C ATOM 582 C PHE A 41 7.427 -9.811 -2.976 1.00 0.00 C ATOM 583 O PHE A 41 7.651 -9.515 -4.150 1.00 0.00 O ATOM 584 CB PHE A 41 6.499 -8.654 -0.952 1.00 0.00 C ATOM 585 CG PHE A 41 6.707 -7.642 0.139 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.744 -6.288 -0.151 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.869 -8.045 1.454 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.941 -5.355 0.850 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.065 -7.117 2.460 1.00 0.00 C ATOM 590 CZ PHE A 41 7.102 -5.772 2.157 1.00 0.00 C ATOM 0 H PHE A 41 7.451 -7.081 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 41 8.544 -9.234 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.647 -8.352 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.246 -9.615 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.617 -5.957 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.842 -9.097 1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.969 -4.302 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.189 -7.445 3.482 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.257 -5.045 2.941 1.00 0.00 H new ATOM 600 N ASN A 42 6.930 -10.990 -2.611 1.00 0.00 N ATOM 601 CA ASN A 42 6.613 -12.023 -3.592 1.00 0.00 C ATOM 602 C ASN A 42 5.105 -12.225 -3.720 1.00 0.00 C ATOM 603 O ASN A 42 4.617 -13.355 -3.703 1.00 0.00 O ATOM 604 CB ASN A 42 7.286 -13.341 -3.207 1.00 0.00 C ATOM 605 CG ASN A 42 8.763 -13.172 -2.912 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.249 -13.583 -1.858 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.486 -12.565 -3.845 1.00 0.00 N ATOM 0 H ASN A 42 6.738 -11.253 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 42 6.993 -11.693 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.789 -13.757 -2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.160 -14.060 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.486 -12.423 -3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.042 -12.240 -4.704 1.00 0.00 H new ATOM 614 N ILE A 43 4.372 -11.125 -3.857 1.00 0.00 N ATOM 615 CA ILE A 43 2.924 -11.188 -3.997 1.00 0.00 C ATOM 616 C ILE A 43 2.444 -10.240 -5.095 1.00 0.00 C ATOM 617 O ILE A 43 2.890 -9.097 -5.177 1.00 0.00 O ATOM 618 CB ILE A 43 2.210 -10.841 -2.676 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.762 -11.698 -1.535 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.708 -11.042 -2.816 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.735 -10.961 -0.646 1.00 0.00 C ATOM 0 H ILE A 43 4.758 -10.181 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 43 2.674 -12.214 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 43 2.396 -9.792 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.932 -12.061 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.257 -12.574 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.218 -10.793 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.326 -10.395 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.502 -12.082 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.086 -11.628 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.584 -10.621 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.238 -10.101 -0.197 1.00 0.00 H new ATOM 633 N PRO A 44 1.529 -10.710 -5.959 1.00 0.00 N ATOM 634 CA PRO A 44 0.992 -9.904 -7.060 1.00 0.00 C ATOM 635 C PRO A 44 0.068 -8.791 -6.571 1.00 0.00 C ATOM 636 O PRO A 44 -0.294 -8.745 -5.396 1.00 0.00 O ATOM 637 CB PRO A 44 0.214 -10.920 -7.897 1.00 0.00 C ATOM 638 CG PRO A 44 -0.168 -11.990 -6.934 1.00 0.00 C ATOM 639 CD PRO A 44 0.950 -12.065 -5.931 1.00 0.00 C ATOM 0 HA PRO A 44 1.780 -9.392 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.665 -10.466 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.826 -11.317 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.114 -11.756 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.299 -12.945 -7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.582 -12.324 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.685 -12.821 -6.205 1.00 0.00 H new ATOM 647 N PRO A 45 -0.326 -7.875 -7.472 1.00 0.00 N ATOM 648 CA PRO A 45 -1.210 -6.756 -7.126 1.00 0.00 C ATOM 649 C PRO A 45 -2.633 -7.204 -6.805 1.00 0.00 C ATOM 650 O PRO A 45 -3.392 -6.474 -6.166 1.00 0.00 O ATOM 651 CB PRO A 45 -1.196 -5.889 -8.388 1.00 0.00 C ATOM 652 CG PRO A 45 -0.862 -6.831 -9.492 1.00 0.00 C ATOM 653 CD PRO A 45 0.060 -7.856 -8.895 1.00 0.00 C ATOM 0 HA PRO A 45 -0.871 -6.239 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.163 -5.414 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.457 -5.091 -8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.762 -7.300 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.382 -6.308 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.071 -8.833 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.106 -7.579 -9.024 1.00 0.00 H new ATOM 661 N TYR A 46 -2.995 -8.405 -7.248 1.00 0.00 N ATOM 662 CA TYR A 46 -4.334 -8.934 -7.002 1.00 0.00 C ATOM 663 C TYR A 46 -4.364 -9.828 -5.760 1.00 0.00 C ATOM 664 O TYR A 46 -5.355 -10.510 -5.502 1.00 0.00 O ATOM 665 CB TYR A 46 -4.835 -9.710 -8.222 1.00 0.00 C ATOM 666 CG TYR A 46 -4.061 -10.980 -8.501 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.888 -10.952 -9.245 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.505 -12.207 -8.023 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.181 -12.110 -9.505 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.803 -13.368 -8.278 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.641 -13.315 -9.020 1.00 0.00 C ATOM 672 OH TYR A 46 -1.939 -14.470 -9.277 1.00 0.00 O ATOM 0 H TYR A 46 -2.384 -9.028 -7.776 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.996 -8.087 -6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.885 -9.961 -8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.782 -9.064 -9.098 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.523 -10.010 -9.626 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.414 -12.253 -7.442 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.271 -12.071 -10.086 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.162 -14.313 -7.898 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.398 -15.231 -8.863 1.00 0.00 H new ATOM 682 N LEU A 47 -3.276 -9.817 -4.993 1.00 0.00 N ATOM 683 CA LEU A 47 -3.187 -10.625 -3.779 1.00 0.00 C ATOM 684 C LEU A 47 -2.578 -9.828 -2.626 1.00 0.00 C ATOM 685 O LEU A 47 -2.331 -10.374 -1.552 1.00 0.00 O ATOM 686 CB LEU A 47 -2.346 -11.876 -4.035 1.00 0.00 C ATOM 687 CG LEU A 47 -2.886 -12.812 -5.117 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.902 -13.938 -5.386 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.239 -13.373 -4.710 1.00 0.00 C ATOM 0 H LEU A 47 -2.445 -9.259 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.200 -10.917 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.339 -11.567 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.261 -12.435 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.013 -12.239 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.303 -14.594 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.953 -13.520 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.743 -14.509 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.608 -14.037 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.137 -13.931 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.944 -12.554 -4.567 1.00 0.00 H new ATOM 701 N GLN A 48 -2.330 -8.538 -2.847 1.00 0.00 N ATOM 702 CA GLN A 48 -1.744 -7.691 -1.816 1.00 0.00 C ATOM 703 C GLN A 48 -2.759 -6.691 -1.273 1.00 0.00 C ATOM 704 O GLN A 48 -3.170 -5.766 -1.973 1.00 0.00 O ATOM 705 CB GLN A 48 -0.528 -6.947 -2.371 1.00 0.00 C ATOM 706 CG GLN A 48 0.654 -7.855 -2.672 1.00 0.00 C ATOM 707 CD GLN A 48 1.785 -7.134 -3.379 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.946 -7.238 -2.982 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.453 -6.400 -4.435 1.00 0.00 N ATOM 0 H GLN A 48 -2.525 -8.061 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.430 -8.336 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.817 -6.425 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.219 -6.187 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.027 -8.279 -1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.318 -8.688 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.478 -6.342 -4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.173 -5.895 -4.951 1.00 0.00 H new ATOM 718 N CYS A 49 -3.145 -6.876 -0.015 1.00 0.00 N ATOM 719 CA CYS A 49 -4.096 -5.982 0.632 1.00 0.00 C ATOM 720 C CYS A 49 -3.364 -5.069 1.609 1.00 0.00 C ATOM 721 O CYS A 49 -2.941 -5.504 2.680 1.00 0.00 O ATOM 722 CB CYS A 49 -5.177 -6.786 1.358 1.00 0.00 C ATOM 723 SG CYS A 49 -6.355 -5.777 2.287 1.00 0.00 S ATOM 0 H CYS A 49 -2.813 -7.638 0.576 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.580 -5.370 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.724 -7.381 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.696 -7.485 2.042 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.229 -6.549 2.862 1.00 0.00 H new ATOM 729 N ILE A 50 -3.203 -3.808 1.221 1.00 0.00 N ATOM 730 CA ILE A 50 -2.501 -2.828 2.046 1.00 0.00 C ATOM 731 C ILE A 50 -3.368 -2.324 3.195 1.00 0.00 C ATOM 732 O ILE A 50 -4.596 -2.338 3.119 1.00 0.00 O ATOM 733 CB ILE A 50 -2.036 -1.622 1.205 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.271 -2.095 -0.033 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.171 -0.693 2.043 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.603 -1.315 -1.285 1.00 0.00 C ATOM 0 H ILE A 50 -3.551 -3.438 0.336 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.633 -3.341 2.460 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.916 -1.071 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.201 -2.018 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.489 -3.149 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.851 0.153 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.746 -0.331 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.295 -1.235 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.024 -1.706 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.666 -1.413 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.359 -0.264 -1.134 1.00 0.00 H new ATOM 748 N ARG A 51 -2.707 -1.871 4.257 1.00 0.00 N ATOM 749 CA ARG A 51 -3.395 -1.348 5.432 1.00 0.00 C ATOM 750 C ARG A 51 -2.567 -0.245 6.086 1.00 0.00 C ATOM 751 O ARG A 51 -1.343 -0.343 6.169 1.00 0.00 O ATOM 752 CB ARG A 51 -3.658 -2.469 6.438 1.00 0.00 C ATOM 753 CG ARG A 51 -4.444 -3.635 5.860 1.00 0.00 C ATOM 754 CD ARG A 51 -5.284 -4.321 6.923 1.00 0.00 C ATOM 755 NE ARG A 51 -6.141 -5.361 6.358 1.00 0.00 N ATOM 756 CZ ARG A 51 -7.100 -5.983 7.040 1.00 0.00 C ATOM 757 NH1 ARG A 51 -7.330 -5.670 8.310 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.832 -6.917 6.451 1.00 0.00 N ATOM 0 H ARG A 51 -1.690 -1.856 4.327 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.350 -0.930 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.704 -2.837 6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.203 -2.061 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.090 -3.278 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.756 -4.355 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.629 -4.760 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.901 -3.580 7.432 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.996 -5.626 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.771 -4.950 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.066 -6.150 8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.661 -7.159 5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.567 -7.394 6.973 1.00 0.00 H new ATOM 772 N TYR A 52 -3.240 0.806 6.542 1.00 0.00 N ATOM 773 CA TYR A 52 -2.556 1.926 7.182 1.00 0.00 C ATOM 774 C TYR A 52 -3.341 2.438 8.387 1.00 0.00 C ATOM 775 O TYR A 52 -4.538 2.185 8.514 1.00 0.00 O ATOM 776 CB TYR A 52 -2.348 3.062 6.177 1.00 0.00 C ATOM 777 CG TYR A 52 -3.636 3.703 5.708 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.581 2.970 5.000 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.906 5.040 5.973 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.758 3.552 4.570 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.081 5.629 5.545 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.003 4.880 4.845 1.00 0.00 C ATOM 783 OH TYR A 52 -7.174 5.463 4.419 1.00 0.00 O ATOM 0 H TYR A 52 -4.253 0.907 6.481 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.587 1.571 7.532 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.717 3.826 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.809 2.676 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.392 1.929 4.783 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.186 5.629 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.483 2.969 4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.276 6.670 5.758 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.191 6.403 4.695 1.00 0.00 H new ATOM 793 N GLY A 53 -2.655 3.166 9.264 1.00 0.00 N ATOM 794 CA GLY A 53 -3.301 3.711 10.443 1.00 0.00 C ATOM 795 C GLY A 53 -3.647 2.648 11.467 1.00 0.00 C ATOM 796 O GLY A 53 -3.717 1.462 11.145 1.00 0.00 O ATOM 0 H GLY A 53 -1.663 3.388 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.645 4.451 10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.211 4.232 10.145 1.00 0.00 H new ATOM 800 N PHE A 54 -3.866 3.078 12.706 1.00 0.00 N ATOM 801 CA PHE A 54 -4.210 2.163 13.788 1.00 0.00 C ATOM 802 C PHE A 54 -5.645 2.404 14.266 1.00 0.00 C ATOM 803 O PHE A 54 -5.970 3.497 14.727 1.00 0.00 O ATOM 804 CB PHE A 54 -3.239 2.339 14.957 1.00 0.00 C ATOM 805 CG PHE A 54 -2.970 1.068 15.711 1.00 0.00 C ATOM 806 CD1 PHE A 54 -3.951 0.498 16.507 1.00 0.00 C ATOM 807 CD2 PHE A 54 -1.735 0.445 15.626 1.00 0.00 C ATOM 808 CE1 PHE A 54 -3.706 -0.671 17.202 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.484 -0.723 16.319 1.00 0.00 C ATOM 810 CZ PHE A 54 -2.471 -1.281 17.109 1.00 0.00 C ATOM 0 H PHE A 54 -3.811 4.057 12.986 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.135 1.144 13.409 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.296 2.734 14.579 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.643 3.082 15.645 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.918 0.973 16.585 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.960 0.878 15.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.479 -1.107 17.817 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.518 -1.200 16.244 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.276 -2.193 17.653 1.00 0.00 H new ATOM 820 N PRO A 55 -6.530 1.391 14.161 1.00 0.00 N ATOM 821 CA PRO A 55 -6.190 0.068 13.617 1.00 0.00 C ATOM 822 C PRO A 55 -5.909 0.110 12.117 1.00 0.00 C ATOM 823 O PRO A 55 -6.168 1.116 11.455 1.00 0.00 O ATOM 824 CB PRO A 55 -7.439 -0.767 13.903 1.00 0.00 C ATOM 825 CG PRO A 55 -8.546 0.224 13.984 1.00 0.00 C ATOM 826 CD PRO A 55 -7.942 1.467 14.575 1.00 0.00 C ATOM 0 HA PRO A 55 -5.281 -0.333 14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.617 -1.496 13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.338 -1.325 14.834 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.965 0.424 12.998 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.360 -0.149 14.606 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.424 2.368 14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.042 1.485 15.660 1.00 0.00 H new ATOM 834 N PRO A 56 -5.374 -0.989 11.559 1.00 0.00 N ATOM 835 CA PRO A 56 -5.057 -1.080 10.133 1.00 0.00 C ATOM 836 C PRO A 56 -6.307 -1.109 9.265 1.00 0.00 C ATOM 837 O PRO A 56 -7.186 -1.952 9.447 1.00 0.00 O ATOM 838 CB PRO A 56 -4.294 -2.400 10.015 1.00 0.00 C ATOM 839 CG PRO A 56 -4.759 -3.210 11.174 1.00 0.00 C ATOM 840 CD PRO A 56 -5.038 -2.228 12.278 1.00 0.00 C ATOM 0 HA PRO A 56 -4.489 -0.216 9.789 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.510 -2.899 9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.217 -2.239 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.655 -3.777 10.920 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.000 -3.932 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.860 -2.560 12.912 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.171 -2.094 12.925 1.00 0.00 H new ATOM 848 N LYS A 57 -6.375 -0.182 8.322 1.00 0.00 N ATOM 849 CA LYS A 57 -7.512 -0.089 7.414 1.00 0.00 C ATOM 850 C LYS A 57 -7.293 -0.957 6.182 1.00 0.00 C ATOM 851 O LYS A 57 -6.234 -1.559 6.016 1.00 0.00 O ATOM 852 CB LYS A 57 -7.734 1.363 6.990 1.00 0.00 C ATOM 853 CG LYS A 57 -8.242 2.254 8.112 1.00 0.00 C ATOM 854 CD LYS A 57 -9.040 3.431 7.572 1.00 0.00 C ATOM 855 CE LYS A 57 -10.491 3.053 7.324 1.00 0.00 C ATOM 856 NZ LYS A 57 -11.216 4.104 6.559 1.00 0.00 N ATOM 0 H LYS A 57 -5.653 0.521 8.164 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.396 -0.448 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.796 1.769 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.448 1.387 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.866 1.669 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.398 2.622 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.994 4.258 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.590 3.781 6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.532 2.112 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.991 2.888 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.202 3.808 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.199 4.996 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.754 4.243 5.638 1.00 0.00 H new ATOM 870 N GLU A 58 -8.300 -1.014 5.318 1.00 0.00 N ATOM 871 CA GLU A 58 -8.213 -1.804 4.098 1.00 0.00 C ATOM 872 C GLU A 58 -8.195 -0.901 2.870 1.00 0.00 C ATOM 873 O GLU A 58 -9.177 -0.819 2.134 1.00 0.00 O ATOM 874 CB GLU A 58 -9.384 -2.785 4.010 1.00 0.00 C ATOM 875 CG GLU A 58 -9.118 -3.965 3.091 1.00 0.00 C ATOM 876 CD GLU A 58 -10.369 -4.768 2.794 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.479 -4.219 2.960 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.240 -5.945 2.397 1.00 0.00 O ATOM 0 H GLU A 58 -9.185 -0.522 5.441 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.282 -2.370 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.612 -3.157 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.268 -2.253 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.693 -3.603 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.373 -4.616 3.549 1.00 0.00 H new ATOM 885 N LEU A 59 -7.069 -0.221 2.665 1.00 0.00 N ATOM 886 CA LEU A 59 -6.896 0.690 1.534 1.00 0.00 C ATOM 887 C LEU A 59 -7.391 0.063 0.234 1.00 0.00 C ATOM 888 O LEU A 59 -6.621 -0.539 -0.514 1.00 0.00 O ATOM 889 CB LEU A 59 -5.423 1.082 1.396 1.00 0.00 C ATOM 890 CG LEU A 59 -5.139 2.237 0.432 1.00 0.00 C ATOM 891 CD1 LEU A 59 -6.072 3.407 0.705 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.687 2.676 0.544 1.00 0.00 C ATOM 0 H LEU A 59 -6.254 -0.285 3.275 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.492 1.582 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.042 1.351 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.861 0.208 1.065 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.318 1.888 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.853 4.217 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.106 3.086 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.927 3.758 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.501 3.498 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.484 3.006 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.034 1.839 0.297 1.00 0.00 H new ATOM 904 N MET A 60 -8.684 0.210 -0.023 1.00 0.00 N ATOM 905 CA MET A 60 -9.300 -0.336 -1.226 1.00 0.00 C ATOM 906 C MET A 60 -8.921 0.489 -2.453 1.00 0.00 C ATOM 907 O MET A 60 -8.556 1.659 -2.336 1.00 0.00 O ATOM 908 CB MET A 60 -10.822 -0.370 -1.069 1.00 0.00 C ATOM 909 CG MET A 60 -11.436 1.001 -0.852 1.00 0.00 C ATOM 910 SD MET A 60 -13.111 0.916 -0.187 1.00 0.00 S ATOM 911 CE MET A 60 -12.925 1.862 1.322 1.00 0.00 C ATOM 0 H MET A 60 -9.331 0.706 0.590 1.00 0.00 H new ATOM 0 HA MET A 60 -8.932 -1.352 -1.367 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.262 -0.820 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.079 -1.012 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.807 1.572 -0.169 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.452 1.541 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.879 1.900 1.847 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.179 1.388 1.959 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.604 2.875 1.079 1.00 0.00 H new ATOM 921 N PRO A 61 -9.004 -0.112 -3.651 1.00 0.00 N ATOM 922 CA PRO A 61 -8.667 0.573 -4.903 1.00 0.00 C ATOM 923 C PRO A 61 -9.629 1.715 -5.215 1.00 0.00 C ATOM 924 O PRO A 61 -10.836 1.595 -5.003 1.00 0.00 O ATOM 925 CB PRO A 61 -8.775 -0.529 -5.961 1.00 0.00 C ATOM 926 CG PRO A 61 -9.667 -1.559 -5.360 1.00 0.00 C ATOM 927 CD PRO A 61 -9.429 -1.505 -3.877 1.00 0.00 C ATOM 0 HA PRO A 61 -7.682 1.037 -4.859 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.190 -0.142 -6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.796 -0.945 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.712 -1.354 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.440 -2.549 -5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.332 -1.746 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.662 -2.215 -3.567 1.00 0.00 H new ATOM 935 N PRO A 62 -9.105 2.845 -5.722 1.00 0.00 N ATOM 936 CA PRO A 62 -9.925 4.013 -6.060 1.00 0.00 C ATOM 937 C PRO A 62 -10.878 3.741 -7.217 1.00 0.00 C ATOM 938 O PRO A 62 -11.018 2.603 -7.666 1.00 0.00 O ATOM 939 CB PRO A 62 -8.895 5.073 -6.457 1.00 0.00 C ATOM 940 CG PRO A 62 -7.687 4.304 -6.862 1.00 0.00 C ATOM 941 CD PRO A 62 -7.676 3.074 -6.003 1.00 0.00 C ATOM 0 HA PRO A 62 -10.564 4.311 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.261 5.692 -7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.676 5.742 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.727 4.042 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.781 4.892 -6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.227 2.226 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.105 3.228 -5.087 1.00 0.00 H new ATOM 949 N GLN A 63 -11.531 4.794 -7.695 1.00 0.00 N ATOM 950 CA GLN A 63 -12.472 4.674 -8.802 1.00 0.00 C ATOM 951 C GLN A 63 -12.265 5.795 -9.816 1.00 0.00 C ATOM 952 O GLN A 63 -11.249 6.489 -9.790 1.00 0.00 O ATOM 953 CB GLN A 63 -13.910 4.696 -8.278 1.00 0.00 C ATOM 954 CG GLN A 63 -14.821 3.687 -8.958 1.00 0.00 C ATOM 955 CD GLN A 63 -16.279 4.104 -8.928 1.00 0.00 C ATOM 956 OE1 GLN A 63 -17.041 3.673 -8.063 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.674 4.947 -9.876 1.00 0.00 N ATOM 0 H GLN A 63 -11.426 5.742 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.291 3.723 -9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.900 4.499 -7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.323 5.696 -8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.505 3.558 -9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.714 2.719 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.008 5.279 -10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.644 5.262 -9.906 1.00 0.00 H new ATOM 966 N ALA A 64 -13.236 5.968 -10.709 1.00 0.00 N ATOM 967 CA ALA A 64 -13.160 7.005 -11.731 1.00 0.00 C ATOM 968 C ALA A 64 -12.990 8.386 -11.106 1.00 0.00 C ATOM 969 O ALA A 64 -13.960 9.002 -10.665 1.00 0.00 O ATOM 970 CB ALA A 64 -14.403 6.971 -12.608 1.00 0.00 C ATOM 0 H ALA A 64 -14.084 5.403 -10.745 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.284 6.806 -12.349 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.334 7.750 -13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.480 5.998 -13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.287 7.141 -11.993 1.00 0.00 H new ATOM 976 N GLY A 65 -11.751 8.864 -11.069 1.00 0.00 N ATOM 977 CA GLY A 65 -11.475 10.169 -10.495 1.00 0.00 C ATOM 978 C GLY A 65 -10.437 10.107 -9.392 1.00 0.00 C ATOM 979 O GLY A 65 -9.582 10.986 -9.284 1.00 0.00 O ATOM 0 H GLY A 65 -10.932 8.371 -11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.128 10.842 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.398 10.591 -10.098 1.00 0.00 H new ATOM 983 N MET A 66 -10.512 9.064 -8.569 1.00 0.00 N ATOM 984 CA MET A 66 -9.573 8.890 -7.468 1.00 0.00 C ATOM 985 C MET A 66 -8.342 8.106 -7.916 1.00 0.00 C ATOM 986 O MET A 66 -7.280 8.196 -7.298 1.00 0.00 O ATOM 987 CB MET A 66 -10.254 8.171 -6.300 1.00 0.00 C ATOM 988 CG MET A 66 -10.719 9.109 -5.197 1.00 0.00 C ATOM 989 SD MET A 66 -10.493 8.411 -3.551 1.00 0.00 S ATOM 990 CE MET A 66 -8.711 8.244 -3.494 1.00 0.00 C ATOM 0 H MET A 66 -11.214 8.328 -8.645 1.00 0.00 H new ATOM 0 HA MET A 66 -9.250 9.878 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.111 7.614 -6.677 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.561 7.443 -5.878 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.169 10.048 -5.268 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.773 9.345 -5.346 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.365 8.384 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.427 7.250 -3.840 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.254 8.996 -4.137 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.486 7.339 -8.994 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.383 6.543 -9.521 1.00 0.00 C ATOM 1002 C GLU A 67 -6.152 7.410 -9.770 1.00 0.00 C ATOM 1003 O GLU A 67 -5.019 6.944 -9.656 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.803 5.850 -10.819 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.510 6.771 -11.799 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.555 6.206 -13.205 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -9.297 5.226 -13.428 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -7.848 6.741 -14.083 1.00 0.00 O ATOM 0 H GLU A 67 -9.356 7.253 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.127 5.788 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.919 5.431 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.461 5.015 -10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.527 6.952 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.003 7.736 -11.816 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.385 8.673 -10.108 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.296 9.607 -10.371 1.00 0.00 C ATOM 1017 C LYS A 68 -4.682 10.113 -9.067 1.00 0.00 C ATOM 1018 O LYS A 68 -3.530 10.542 -9.039 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.801 10.788 -11.203 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.618 10.371 -12.415 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.372 11.549 -13.011 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.508 12.000 -12.106 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.612 13.484 -12.043 1.00 0.00 N ATOM 0 H LYS A 68 -7.318 9.074 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.525 9.078 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.409 11.434 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.948 11.379 -11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.959 9.941 -13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.325 9.593 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.684 12.378 -13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.771 11.271 -13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.448 11.585 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.352 11.604 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.398 13.751 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.724 13.879 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.787 13.861 -12.997 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.460 10.061 -7.989 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.991 10.514 -6.685 1.00 0.00 C ATOM 1039 C GLU A 69 -3.991 9.524 -6.091 1.00 0.00 C ATOM 1040 O GLU A 69 -4.140 8.313 -6.247 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.172 10.697 -5.729 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.750 12.103 -5.739 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.131 12.568 -7.130 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -7.483 11.710 -7.968 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.074 13.789 -7.384 1.00 0.00 O ATOM 0 H GLU A 69 -6.418 9.710 -7.994 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.490 11.472 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.957 9.989 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.851 10.452 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.630 12.135 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.021 12.794 -5.316 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.950 10.027 -5.403 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.926 9.178 -4.791 1.00 0.00 C ATOM 1054 C PRO A 70 -2.423 8.469 -3.536 1.00 0.00 C ATOM 1055 O PRO A 70 -3.490 8.785 -3.011 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.814 10.167 -4.441 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.519 11.460 -4.225 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.691 11.462 -5.170 1.00 0.00 C ATOM 0 HA PRO A 70 -1.612 8.376 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.273 9.856 -3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.083 10.243 -5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.852 11.554 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.857 12.303 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.557 11.960 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.457 11.983 -6.098 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.638 7.507 -3.064 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.987 6.742 -1.872 1.00 0.00 C ATOM 1068 C VAL A 71 -2.067 7.640 -0.638 1.00 0.00 C ATOM 1069 O VAL A 71 -1.548 8.756 -0.638 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.965 5.618 -1.612 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.219 4.440 -2.542 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.457 6.137 -1.770 1.00 0.00 C ATOM 0 H VAL A 71 -0.752 7.237 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.967 6.301 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.086 5.273 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.488 3.656 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.223 4.051 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.128 4.768 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.163 5.328 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.597 6.512 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.631 6.943 -1.057 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.723 7.160 0.434 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.873 7.920 1.684 1.00 0.00 C ATOM 1084 C PRO A 72 -1.588 7.968 2.509 1.00 0.00 C ATOM 1085 O PRO A 72 -1.569 8.525 3.607 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.941 7.126 2.437 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.751 5.727 1.969 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.375 5.836 0.517 1.00 0.00 C ATOM 0 HA PRO A 72 -3.127 8.963 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.810 7.206 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.943 7.490 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.970 5.225 2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.663 5.144 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.700 5.035 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.250 5.777 -0.131 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.524 7.371 1.985 1.00 0.00 N ATOM 1097 CA LEU A 73 0.754 7.334 2.685 1.00 0.00 C ATOM 1098 C LEU A 73 1.730 8.349 2.101 1.00 0.00 C ATOM 1099 O LEU A 73 1.643 8.704 0.925 1.00 0.00 O ATOM 1100 CB LEU A 73 1.345 5.923 2.610 1.00 0.00 C ATOM 1101 CG LEU A 73 0.315 4.800 2.447 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.979 3.530 1.948 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.412 4.548 3.759 1.00 0.00 C ATOM 0 H LEU A 73 -0.521 6.906 1.077 1.00 0.00 H new ATOM 0 HA LEU A 73 0.583 7.597 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.042 5.881 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.922 5.738 3.516 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.418 5.113 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.230 2.746 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.448 3.720 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.737 3.211 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.139 3.747 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.308 4.259 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.927 5.457 4.070 1.00 0.00 H new ATOM 1115 N GLN A 74 2.657 8.818 2.932 1.00 0.00 N ATOM 1116 CA GLN A 74 3.647 9.798 2.500 1.00 0.00 C ATOM 1117 C GLN A 74 5.055 9.383 2.921 1.00 0.00 C ATOM 1118 O GLN A 74 5.248 8.341 3.542 1.00 0.00 O ATOM 1119 CB GLN A 74 3.319 11.173 3.082 1.00 0.00 C ATOM 1120 CG GLN A 74 2.081 11.811 2.474 1.00 0.00 C ATOM 1121 CD GLN A 74 2.262 12.157 1.010 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.330 12.608 0.595 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.218 11.946 0.218 1.00 0.00 N ATOM 0 H GLN A 74 2.743 8.535 3.908 1.00 0.00 H new ATOM 0 HA GLN A 74 3.614 9.849 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.177 11.078 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.171 11.835 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.236 11.130 2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.833 12.716 3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.352 11.571 0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.282 12.159 -0.777 1.00 0.00 H new ATOM 1132 N HIS A 75 6.033 10.213 2.576 1.00 0.00 N ATOM 1133 CA HIS A 75 7.426 9.942 2.914 1.00 0.00 C ATOM 1134 C HIS A 75 7.600 9.754 4.417 1.00 0.00 C ATOM 1135 O HIS A 75 7.508 10.708 5.188 1.00 0.00 O ATOM 1136 CB HIS A 75 8.320 11.083 2.425 1.00 0.00 C ATOM 1137 CG HIS A 75 9.756 10.690 2.256 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.340 9.652 2.952 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.727 11.202 1.463 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.608 9.545 2.596 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.868 10.473 1.694 1.00 0.00 N ATOM 0 H HIS A 75 5.887 11.081 2.061 1.00 0.00 H new ATOM 0 HA HIS A 75 7.719 9.017 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.938 11.450 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.259 11.910 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.624 12.029 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.312 8.821 2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.770 10.624 1.242 1.00 0.00 H new ATOM 1150 N GLY A 76 7.851 8.515 4.825 1.00 0.00 N ATOM 1151 CA GLY A 76 8.035 8.222 6.233 1.00 0.00 C ATOM 1152 C GLY A 76 6.833 7.529 6.849 1.00 0.00 C ATOM 1153 O GLY A 76 6.721 7.444 8.072 1.00 0.00 O ATOM 0 H GLY A 76 7.930 7.709 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.916 7.592 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.229 9.150 6.771 1.00 0.00 H new ATOM 1157 N ASP A 77 5.933 7.032 6.006 1.00 0.00 N ATOM 1158 CA ASP A 77 4.739 6.346 6.487 1.00 0.00 C ATOM 1159 C ASP A 77 4.979 4.843 6.577 1.00 0.00 C ATOM 1160 O ASP A 77 6.060 4.355 6.249 1.00 0.00 O ATOM 1161 CB ASP A 77 3.551 6.633 5.564 1.00 0.00 C ATOM 1162 CG ASP A 77 2.563 7.603 6.181 1.00 0.00 C ATOM 1163 OD1 ASP A 77 3.004 8.531 6.890 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.345 7.432 5.957 1.00 0.00 O ATOM 0 H ASP A 77 6.007 7.091 4.990 1.00 0.00 H new ATOM 0 HA ASP A 77 4.510 6.721 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.916 7.041 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.041 5.698 5.331 1.00 0.00 H new ATOM 1169 N ARG A 78 3.961 4.115 7.021 1.00 0.00 N ATOM 1170 CA ARG A 78 4.056 2.667 7.153 1.00 0.00 C ATOM 1171 C ARG A 78 2.738 2.004 6.785 1.00 0.00 C ATOM 1172 O ARG A 78 1.665 2.575 6.982 1.00 0.00 O ATOM 1173 CB ARG A 78 4.459 2.281 8.580 1.00 0.00 C ATOM 1174 CG ARG A 78 3.840 3.161 9.654 1.00 0.00 C ATOM 1175 CD ARG A 78 2.324 3.187 9.549 1.00 0.00 C ATOM 1176 NE ARG A 78 1.696 3.592 10.804 1.00 0.00 N ATOM 1177 CZ ARG A 78 1.733 2.866 11.920 1.00 0.00 C ATOM 1178 NH1 ARG A 78 2.358 1.695 11.937 1.00 0.00 N ATOM 1179 NH2 ARG A 78 1.144 3.313 13.021 1.00 0.00 N ATOM 0 H ARG A 78 3.059 4.505 7.296 1.00 0.00 H new ATOM 0 HA ARG A 78 4.825 2.316 6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.170 1.246 8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.545 2.329 8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.131 2.794 10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.229 4.175 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.027 3.874 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.963 2.198 9.265 1.00 0.00 H new ATOM 0 HE ARG A 78 1.200 4.483 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.813 1.347 11.093 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.383 1.143 12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.663 4.212 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.172 2.757 13.876 1.00 0.00 H new ATOM 1193 N ILE A 79 2.827 0.799 6.240 1.00 0.00 N ATOM 1194 CA ILE A 79 1.641 0.061 5.834 1.00 0.00 C ATOM 1195 C ILE A 79 1.814 -1.434 6.055 1.00 0.00 C ATOM 1196 O ILE A 79 2.925 -1.920 6.268 1.00 0.00 O ATOM 1197 CB ILE A 79 1.305 0.302 4.349 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.583 0.487 3.528 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.393 1.507 4.204 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.335 0.609 2.040 1.00 0.00 C ATOM 0 H ILE A 79 3.707 0.313 6.069 1.00 0.00 H new ATOM 0 HA ILE A 79 0.823 0.428 6.454 1.00 0.00 H new ATOM 0 HB ILE A 79 0.782 -0.574 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.102 1.380 3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.247 -0.358 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.164 1.665 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.532 1.332 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.891 2.390 4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.285 0.738 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.844 -0.294 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.697 1.471 1.847 1.00 0.00 H new ATOM 1212 N THR A 80 0.705 -2.159 5.991 1.00 0.00 N ATOM 1213 CA THR A 80 0.724 -3.601 6.170 1.00 0.00 C ATOM 1214 C THR A 80 -0.051 -4.287 5.055 1.00 0.00 C ATOM 1215 O THR A 80 -1.207 -3.956 4.791 1.00 0.00 O ATOM 1216 CB THR A 80 0.132 -3.986 7.523 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.805 -3.319 8.576 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.199 -5.473 7.799 1.00 0.00 C ATOM 0 H THR A 80 -0.221 -1.769 5.816 1.00 0.00 H new ATOM 0 HA THR A 80 1.762 -3.931 6.135 1.00 0.00 H new ATOM 0 HB THR A 80 -0.915 -3.687 7.478 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.409 -3.579 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.238 -5.682 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.356 -6.011 7.031 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.239 -5.798 7.790 1.00 0.00 H new ATOM 1226 N ILE A 81 0.593 -5.245 4.405 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.031 -5.982 3.318 1.00 0.00 C ATOM 1228 C ILE A 81 -0.578 -7.316 3.808 1.00 0.00 C ATOM 1229 O ILE A 81 -0.142 -7.840 4.831 1.00 0.00 O ATOM 1230 CB ILE A 81 0.965 -6.243 2.171 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.724 -4.961 1.825 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.237 -6.784 0.950 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.819 -3.793 1.494 1.00 0.00 C ATOM 0 H ILE A 81 1.550 -5.530 4.613 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.850 -5.366 2.946 1.00 0.00 H new ATOM 0 HB ILE A 81 1.687 -6.991 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.363 -4.689 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.379 -5.154 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.954 -6.963 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.260 -7.719 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.505 -6.058 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.425 -2.918 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.198 -4.046 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.181 -3.573 2.350 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.530 -7.864 3.068 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.127 -9.145 3.423 1.00 0.00 C ATOM 1247 C GLU A 82 -2.340 -9.996 2.178 1.00 0.00 C ATOM 1248 O GLU A 82 -3.106 -9.630 1.288 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.456 -8.937 4.158 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.368 -10.157 4.138 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.419 -10.119 5.232 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.191 -9.432 6.250 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.468 -10.776 5.070 1.00 0.00 O ATOM 0 H GLU A 82 -1.906 -7.443 2.218 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.442 -9.668 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.249 -8.667 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.981 -8.095 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.861 -10.221 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.765 -11.058 4.250 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.659 -11.133 2.122 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.778 -12.030 0.990 1.00 0.00 C ATOM 1262 C ILE A 83 -3.210 -12.505 0.811 1.00 0.00 C ATOM 1263 O ILE A 83 -3.740 -13.250 1.635 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.867 -13.259 1.138 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.601 -12.843 1.021 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.226 -14.305 0.083 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.337 -12.817 2.344 1.00 0.00 C ATOM 0 H ILE A 83 -1.019 -11.452 2.850 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.469 -11.461 0.113 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.017 -13.701 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.111 -13.530 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.653 -11.853 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.576 -15.173 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.264 -14.611 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.094 -13.879 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.371 -12.513 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.853 -12.108 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.318 -13.811 2.791 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.818 -12.088 -0.283 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.177 -12.489 -0.592 1.00 0.00 C ATOM 1281 C LEU A 84 -5.172 -13.831 -1.311 1.00 0.00 C ATOM 1282 O LEU A 84 -4.302 -14.105 -2.137 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.868 -11.430 -1.449 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.643 -9.988 -0.989 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.372 -9.016 -1.903 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.095 -9.815 0.455 1.00 0.00 C ATOM 0 H LEU A 84 -3.391 -11.471 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.732 -12.589 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.517 -11.528 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.939 -11.631 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.577 -9.769 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.200 -7.996 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.999 -9.124 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.441 -9.230 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.928 -8.784 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.156 -10.051 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.524 -10.486 1.098 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.142 -14.665 -0.983 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.258 -15.984 -1.584 1.00 0.00 C ATOM 1300 C LYS A 85 -6.781 -15.874 -3.009 1.00 0.00 C ATOM 1301 O LYS A 85 -7.981 -15.746 -3.249 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.146 -16.907 -0.729 1.00 0.00 C ATOM 1303 CG LYS A 85 -8.647 -16.662 -0.851 1.00 0.00 C ATOM 1304 CD LYS A 85 -9.008 -15.202 -0.630 1.00 0.00 C ATOM 1305 CE LYS A 85 -8.666 -14.749 0.782 1.00 0.00 C ATOM 1306 NZ LYS A 85 -9.843 -14.819 1.692 1.00 0.00 N ATOM 0 H LYS A 85 -6.867 -14.451 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.265 -16.433 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.939 -17.941 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.860 -16.793 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.985 -16.973 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.175 -17.280 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.476 -14.582 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.073 -15.058 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.864 -15.372 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.290 -13.726 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.566 -14.502 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.600 -14.205 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.186 -15.799 1.741 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.855 -15.909 -3.951 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.210 -15.803 -5.350 1.00 0.00 C ATOM 1322 C GLY A 86 -6.417 -17.155 -6.003 1.00 0.00 C ATOM 1323 O GLY A 86 -5.732 -17.439 -7.008 1.00 0.00 O ATOM 1324 OXT GLY A 86 -7.263 -17.929 -5.509 1.00 0.00 O ATOM 0 H GLY A 86 -4.856 -16.010 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.122 -15.214 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.425 -15.264 -5.880 1.00 0.00 H new