USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 715 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 94 ASN : amide:sc= 0.259 X(o=0.88,f=0.58) USER MOD Set 1.2: A 132 TYR OH : rot 102:sc= 0.619 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.0332 K(o=0.19,f=-1.6) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -110:sc= 0.227 (180deg=0) USER MOD Set 3.1: A 88 THR OG1 : rot 79:sc= 1.37 USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0.81 K(o=2.2,f=-4.6!) USER MOD Set 4.1: A 79 HIS : no HD1:sc= -3.2 K(o=-1.4,f=-7.7!) USER MOD Set 4.2: A 87 THR OG1 : rot -53:sc= 1.77 USER MOD Single : A 47 THR OG1 : rot 64:sc= 0.198 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 110:sc= -2.06 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= -1.23 (180deg=-3.27!) USER MOD Single : A 71 MET CE :methyl 137:sc= -1.57 (180deg=-4.9!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-4.7!) USER MOD Single : A 77 GLN : amide:sc= -0.0916 K(o=-0.092,f=-1.8!) USER MOD Single : A 78 TYR OH : rot 130:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= -0.22 USER MOD Single : A 83 SER OG : rot 64:sc= 0.136 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00487 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 110:sc= -0.29 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.296 F(o=-1.9,f=-0.3) USER MOD Single : A 101 LYS NZ :NH3+ 152:sc= -0.172 (180deg=-1.04) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= -0.0516 (180deg=-0.452) USER MOD Single : A 117 SER OG : rot 71:sc= 0.732 USER MOD Single : A 119 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.739) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.217 13.320 -1.641 1.00 0.00 N ATOM 103 CA THR A 47 4.237 12.407 -2.777 1.00 0.00 C ATOM 104 C THR A 47 5.184 11.239 -2.527 1.00 0.00 C ATOM 105 O THR A 47 6.073 10.964 -3.334 1.00 0.00 O ATOM 106 CB THR A 47 4.661 13.129 -4.070 1.00 0.00 C ATOM 107 OG1 THR A 47 5.977 13.673 -3.918 1.00 0.00 O ATOM 108 CG2 THR A 47 3.683 14.242 -4.414 1.00 0.00 C ATOM 0 HA THR A 47 3.222 12.029 -2.897 1.00 0.00 H new ATOM 0 HB THR A 47 4.660 12.403 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.619 12.944 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.003 14.737 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.688 13.821 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.656 14.967 -3.600 1.00 0.00 H new ATOM 116 N ILE A 48 4.988 10.554 -1.405 1.00 0.00 N ATOM 117 CA ILE A 48 5.823 9.414 -1.050 1.00 0.00 C ATOM 118 C ILE A 48 5.313 8.134 -1.703 1.00 0.00 C ATOM 119 O ILE A 48 6.086 7.219 -1.988 1.00 0.00 O ATOM 120 CB ILE A 48 5.881 9.211 0.475 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.467 9.137 1.055 1.00 0.00 C ATOM 122 CG2 ILE A 48 6.670 10.336 1.130 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.432 8.730 2.512 1.00 0.00 C ATOM 0 H ILE A 48 4.258 10.769 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 48 6.826 9.632 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 48 6.389 8.269 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.987 10.110 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.881 8.425 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.702 10.178 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.686 10.346 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.188 11.290 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.398 8.698 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.883 7.744 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.990 9.454 3.106 1.00 0.00 H new ATOM 135 N PHE A 49 4.007 8.077 -1.940 1.00 0.00 N ATOM 136 CA PHE A 49 3.392 6.909 -2.561 1.00 0.00 C ATOM 137 C PHE A 49 3.104 7.167 -4.037 1.00 0.00 C ATOM 138 O PHE A 49 2.305 6.465 -4.656 1.00 0.00 O ATOM 139 CB PHE A 49 2.097 6.541 -1.834 1.00 0.00 C ATOM 140 CG PHE A 49 2.323 5.802 -0.546 1.00 0.00 C ATOM 141 CD1 PHE A 49 2.690 4.466 -0.553 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.166 6.443 0.673 1.00 0.00 C ATOM 143 CE1 PHE A 49 2.899 3.783 0.630 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.374 5.765 1.859 1.00 0.00 C ATOM 145 CZ PHE A 49 2.739 4.433 1.838 1.00 0.00 C ATOM 0 H PHE A 49 3.353 8.826 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 49 4.092 6.077 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.534 7.451 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.481 5.928 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.814 3.952 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.878 7.484 0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.187 2.742 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.251 6.277 2.802 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.899 3.901 2.764 1.00 0.00 H new ATOM 155 N SER A 50 3.762 8.178 -4.595 1.00 0.00 N ATOM 156 CA SER A 50 3.574 8.532 -5.997 1.00 0.00 C ATOM 157 C SER A 50 3.932 7.360 -6.905 1.00 0.00 C ATOM 158 O SER A 50 5.055 6.859 -6.878 1.00 0.00 O ATOM 159 CB SER A 50 4.427 9.750 -6.356 1.00 0.00 C ATOM 160 OG SER A 50 3.850 10.480 -7.425 1.00 0.00 O ATOM 0 H SER A 50 4.430 8.767 -4.098 1.00 0.00 H new ATOM 0 HA SER A 50 2.523 8.777 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.529 10.396 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.430 9.426 -6.632 1.00 0.00 H new ATOM 0 HG SER A 50 4.413 11.254 -7.634 1.00 0.00 H new ATOM 166 N GLY A 51 2.966 6.927 -7.711 1.00 0.00 N ATOM 167 CA GLY A 51 3.198 5.817 -8.617 1.00 0.00 C ATOM 168 C GLY A 51 3.205 4.479 -7.904 1.00 0.00 C ATOM 169 O GLY A 51 3.681 3.482 -8.446 1.00 0.00 O ATOM 0 H GLY A 51 2.028 7.325 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.425 5.812 -9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.152 5.960 -9.125 1.00 0.00 H new ATOM 173 N VAL A 52 2.677 4.457 -6.685 1.00 0.00 N ATOM 174 CA VAL A 52 2.625 3.232 -5.896 1.00 0.00 C ATOM 175 C VAL A 52 1.186 2.852 -5.566 1.00 0.00 C ATOM 176 O VAL A 52 0.560 3.452 -4.693 1.00 0.00 O ATOM 177 CB VAL A 52 3.421 3.373 -4.585 1.00 0.00 C ATOM 178 CG1 VAL A 52 3.136 2.202 -3.658 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.911 3.483 -4.876 1.00 0.00 C ATOM 0 H VAL A 52 2.279 5.274 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 52 3.076 2.446 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 52 3.103 4.287 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.707 2.319 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.072 2.174 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.424 1.272 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.458 3.582 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.247 2.588 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.096 4.358 -5.499 1.00 0.00 H new ATOM 189 N ALA A 53 0.669 1.850 -6.268 1.00 0.00 N ATOM 190 CA ALA A 53 -0.696 1.387 -6.048 1.00 0.00 C ATOM 191 C ALA A 53 -0.724 0.189 -5.105 1.00 0.00 C ATOM 192 O ALA A 53 0.207 -0.616 -5.081 1.00 0.00 O ATOM 193 CB ALA A 53 -1.354 1.033 -7.373 1.00 0.00 C ATOM 0 H ALA A 53 1.175 1.343 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.257 2.197 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.372 0.689 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.377 1.914 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.785 0.242 -7.862 1.00 0.00 H new ATOM 199 N ILE A 54 -1.797 0.078 -4.329 1.00 0.00 N ATOM 200 CA ILE A 54 -1.945 -1.022 -3.384 1.00 0.00 C ATOM 201 C ILE A 54 -3.317 -1.676 -3.513 1.00 0.00 C ATOM 202 O ILE A 54 -4.289 -1.031 -3.908 1.00 0.00 O ATOM 203 CB ILE A 54 -1.749 -0.548 -1.932 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.840 0.454 -1.548 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.370 0.070 -1.759 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.172 0.448 -0.072 1.00 0.00 C ATOM 0 H ILE A 54 -2.576 0.736 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.172 -1.752 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.825 -1.411 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.520 1.455 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.743 0.232 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.246 0.400 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.393 -0.671 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.268 0.924 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.953 1.182 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.522 -0.543 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.281 0.700 0.502 1.00 0.00 H new ATOM 218 N TYR A 55 -3.389 -2.958 -3.174 1.00 0.00 N ATOM 219 CA TYR A 55 -4.642 -3.700 -3.252 1.00 0.00 C ATOM 220 C TYR A 55 -4.808 -4.618 -2.045 1.00 0.00 C ATOM 221 O TYR A 55 -4.077 -5.596 -1.889 1.00 0.00 O ATOM 222 CB TYR A 55 -4.694 -4.521 -4.542 1.00 0.00 C ATOM 223 CG TYR A 55 -5.658 -5.684 -4.480 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.014 -5.502 -4.720 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.212 -6.966 -4.182 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.899 -6.562 -4.665 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.089 -8.032 -4.126 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.431 -7.825 -4.367 1.00 0.00 C ATOM 229 OH TYR A 55 -8.308 -8.884 -4.311 1.00 0.00 O ATOM 0 H TYR A 55 -2.595 -3.505 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.461 -2.980 -3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.978 -3.868 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.696 -4.899 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.383 -4.514 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.162 -7.132 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.950 -6.403 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.726 -9.022 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.818 -9.703 -4.090 1.00 0.00 H new ATOM 239 N VAL A 56 -5.775 -4.294 -1.192 1.00 0.00 N ATOM 240 CA VAL A 56 -6.040 -5.089 0.001 1.00 0.00 C ATOM 241 C VAL A 56 -6.774 -6.379 -0.349 1.00 0.00 C ATOM 242 O VAL A 56 -7.745 -6.367 -1.104 1.00 0.00 O ATOM 243 CB VAL A 56 -6.873 -4.300 1.028 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.908 -5.030 2.362 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.319 -2.893 1.195 1.00 0.00 C ATOM 0 H VAL A 56 -6.388 -3.486 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.072 -5.333 0.439 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.895 -4.222 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.501 -4.457 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.355 -6.015 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.893 -5.142 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.920 -2.350 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.287 -2.947 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.352 -2.373 0.238 1.00 0.00 H new ATOM 255 N ASN A 57 -6.302 -7.491 0.205 1.00 0.00 N ATOM 256 CA ASN A 57 -6.913 -8.791 -0.049 1.00 0.00 C ATOM 257 C ASN A 57 -7.173 -9.534 1.257 1.00 0.00 C ATOM 258 O ASN A 57 -6.242 -9.988 1.921 1.00 0.00 O ATOM 259 CB ASN A 57 -6.014 -9.632 -0.958 1.00 0.00 C ATOM 260 CG ASN A 57 -6.732 -10.843 -1.520 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.914 -11.059 -1.250 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.019 -11.642 -2.305 1.00 0.00 N ATOM 0 H ASN A 57 -5.498 -7.518 0.833 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.868 -8.625 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.652 -9.014 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.139 -9.960 -0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.448 -12.473 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.042 -11.424 -2.502 1.00 0.00 H new ATOM 269 N GLY A 58 -8.446 -9.655 1.620 1.00 0.00 N ATOM 270 CA GLY A 58 -8.806 -10.345 2.845 1.00 0.00 C ATOM 271 C GLY A 58 -8.701 -9.452 4.066 1.00 0.00 C ATOM 272 O GLY A 58 -8.578 -8.233 3.943 1.00 0.00 O ATOM 0 H GLY A 58 -9.235 -9.288 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.826 -10.721 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.157 -11.211 2.975 1.00 0.00 H new ATOM 276 N TYR A 59 -8.752 -10.058 5.246 1.00 0.00 N ATOM 277 CA TYR A 59 -8.666 -9.310 6.494 1.00 0.00 C ATOM 278 C TYR A 59 -7.276 -8.705 6.672 1.00 0.00 C ATOM 279 O TYR A 59 -6.269 -9.412 6.640 1.00 0.00 O ATOM 280 CB TYR A 59 -8.995 -10.216 7.681 1.00 0.00 C ATOM 281 CG TYR A 59 -8.829 -9.541 9.024 1.00 0.00 C ATOM 282 CD1 TYR A 59 -9.881 -8.848 9.610 1.00 0.00 C ATOM 283 CD2 TYR A 59 -7.619 -9.596 9.706 1.00 0.00 C ATOM 284 CE1 TYR A 59 -9.733 -8.229 10.836 1.00 0.00 C ATOM 285 CE2 TYR A 59 -7.463 -8.981 10.933 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.523 -8.298 11.494 1.00 0.00 C ATOM 287 OH TYR A 59 -8.372 -7.684 12.716 1.00 0.00 O ATOM 0 H TYR A 59 -8.853 -11.066 5.365 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.393 -8.499 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.022 -10.567 7.585 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.353 -11.096 7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.830 -8.792 9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.787 -10.128 9.269 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.561 -7.694 11.277 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.517 -9.034 11.451 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.460 -7.829 13.044 1.00 0.00 H new ATOM 297 N THR A 60 -7.231 -7.389 6.860 1.00 0.00 N ATOM 298 CA THR A 60 -5.967 -6.687 7.042 1.00 0.00 C ATOM 299 C THR A 60 -6.116 -5.533 8.027 1.00 0.00 C ATOM 300 O THR A 60 -7.208 -4.993 8.204 1.00 0.00 O ATOM 301 CB THR A 60 -5.430 -6.140 5.706 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.485 -5.498 4.981 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.836 -7.258 4.863 1.00 0.00 C ATOM 0 H THR A 60 -8.055 -6.789 6.890 1.00 0.00 H new ATOM 0 HA THR A 60 -5.258 -7.412 7.440 1.00 0.00 H new ATOM 0 HB THR A 60 -4.646 -5.415 5.924 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.332 -4.530 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.463 -6.847 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.015 -7.726 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.604 -8.003 4.654 1.00 0.00 H new ATOM 311 N ASP A 61 -5.012 -5.160 8.665 1.00 0.00 N ATOM 312 CA ASP A 61 -5.020 -4.068 9.632 1.00 0.00 C ATOM 313 C ASP A 61 -3.895 -3.078 9.344 1.00 0.00 C ATOM 314 O ASP A 61 -2.719 -3.437 9.289 1.00 0.00 O ATOM 315 CB ASP A 61 -4.883 -4.615 11.053 1.00 0.00 C ATOM 316 CG ASP A 61 -4.470 -3.548 12.048 1.00 0.00 C ATOM 317 OD1 ASP A 61 -4.931 -2.396 11.906 1.00 0.00 O ATOM 318 OD2 ASP A 61 -3.687 -3.864 12.967 1.00 0.00 O ATOM 0 H ASP A 61 -4.100 -5.597 8.530 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.972 -3.545 9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.833 -5.050 11.365 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.147 -5.419 11.060 1.00 0.00 H new ATOM 323 N PRO A 62 -4.263 -1.803 9.153 1.00 0.00 N ATOM 324 CA PRO A 62 -5.660 -1.364 9.215 1.00 0.00 C ATOM 325 C PRO A 62 -6.482 -1.879 8.039 1.00 0.00 C ATOM 326 O PRO A 62 -5.931 -2.324 7.032 1.00 0.00 O ATOM 327 CB PRO A 62 -5.555 0.162 9.167 1.00 0.00 C ATOM 328 CG PRO A 62 -4.265 0.431 8.472 1.00 0.00 C ATOM 329 CD PRO A 62 -3.343 -0.690 8.862 1.00 0.00 C ATOM 0 HA PRO A 62 -6.167 -1.742 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.394 0.600 8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.562 0.591 10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.404 0.464 7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.855 1.396 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.652 -0.940 8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.739 -0.430 9.731 1.00 0.00 H new ATOM 337 N SER A 63 -7.803 -1.816 8.173 1.00 0.00 N ATOM 338 CA SER A 63 -8.701 -2.279 7.122 1.00 0.00 C ATOM 339 C SER A 63 -8.346 -1.640 5.783 1.00 0.00 C ATOM 340 O SER A 63 -7.534 -0.718 5.719 1.00 0.00 O ATOM 341 CB SER A 63 -10.153 -1.958 7.483 1.00 0.00 C ATOM 342 OG SER A 63 -10.522 -2.574 8.704 1.00 0.00 O ATOM 0 H SER A 63 -8.275 -1.449 8.999 1.00 0.00 H new ATOM 0 HA SER A 63 -8.587 -3.359 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.281 -0.879 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.813 -2.299 6.686 1.00 0.00 H new ATOM 0 HG SER A 63 -11.453 -2.353 8.914 1.00 0.00 H new ATOM 348 N ALA A 64 -8.960 -2.138 4.715 1.00 0.00 N ATOM 349 CA ALA A 64 -8.711 -1.616 3.377 1.00 0.00 C ATOM 350 C ALA A 64 -9.112 -0.148 3.277 1.00 0.00 C ATOM 351 O ALA A 64 -8.344 0.682 2.793 1.00 0.00 O ATOM 352 CB ALA A 64 -9.459 -2.442 2.340 1.00 0.00 C ATOM 0 H ALA A 64 -9.634 -2.903 4.750 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.641 -1.687 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.264 -2.041 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.121 -3.477 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.529 -2.400 2.544 1.00 0.00 H new ATOM 358 N GLU A 65 -10.320 0.163 3.737 1.00 0.00 N ATOM 359 CA GLU A 65 -10.823 1.531 3.697 1.00 0.00 C ATOM 360 C GLU A 65 -9.795 2.505 4.265 1.00 0.00 C ATOM 361 O GLU A 65 -9.603 3.599 3.735 1.00 0.00 O ATOM 362 CB GLU A 65 -12.132 1.640 4.480 1.00 0.00 C ATOM 363 CG GLU A 65 -12.582 3.072 4.720 1.00 0.00 C ATOM 364 CD GLU A 65 -14.007 3.158 5.229 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.874 2.437 4.694 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.255 3.948 6.165 1.00 0.00 O ATOM 0 H GLU A 65 -10.968 -0.513 4.141 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.009 1.792 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.914 1.108 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.013 1.140 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.914 3.543 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.497 3.636 3.791 1.00 0.00 H new ATOM 373 N GLU A 66 -9.138 2.099 5.347 1.00 0.00 N ATOM 374 CA GLU A 66 -8.131 2.936 5.988 1.00 0.00 C ATOM 375 C GLU A 66 -7.006 3.275 5.015 1.00 0.00 C ATOM 376 O GLU A 66 -6.603 4.432 4.892 1.00 0.00 O ATOM 377 CB GLU A 66 -7.560 2.232 7.221 1.00 0.00 C ATOM 378 CG GLU A 66 -8.533 2.158 8.385 1.00 0.00 C ATOM 379 CD GLU A 66 -9.195 3.491 8.678 1.00 0.00 C ATOM 380 OE1 GLU A 66 -8.499 4.403 9.173 1.00 0.00 O ATOM 381 OE2 GLU A 66 -10.408 3.621 8.414 1.00 0.00 O ATOM 0 H GLU A 66 -9.285 1.196 5.798 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.611 3.864 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.259 1.221 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.660 2.755 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.301 1.416 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.004 1.816 9.275 1.00 0.00 H new ATOM 388 N LEU A 67 -6.502 2.257 4.326 1.00 0.00 N ATOM 389 CA LEU A 67 -5.422 2.445 3.363 1.00 0.00 C ATOM 390 C LEU A 67 -5.926 3.155 2.111 1.00 0.00 C ATOM 391 O LEU A 67 -5.157 3.802 1.400 1.00 0.00 O ATOM 392 CB LEU A 67 -4.808 1.096 2.986 1.00 0.00 C ATOM 393 CG LEU A 67 -4.379 0.204 4.151 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.212 -1.235 3.689 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.088 0.720 4.771 1.00 0.00 C ATOM 0 H LEU A 67 -6.824 1.293 4.416 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.658 3.068 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.530 0.547 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.938 1.279 2.355 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.160 0.232 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.906 -1.855 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.159 -1.602 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.451 -1.281 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.798 0.073 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.299 0.723 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.242 1.734 5.140 1.00 0.00 H new ATOM 407 N ARG A 68 -7.223 3.031 1.848 1.00 0.00 N ATOM 408 CA ARG A 68 -7.830 3.662 0.682 1.00 0.00 C ATOM 409 C ARG A 68 -7.574 5.166 0.683 1.00 0.00 C ATOM 410 O ARG A 68 -7.239 5.751 -0.347 1.00 0.00 O ATOM 411 CB ARG A 68 -9.335 3.390 0.655 1.00 0.00 C ATOM 412 CG ARG A 68 -9.991 3.726 -0.675 1.00 0.00 C ATOM 413 CD ARG A 68 -11.305 2.982 -0.852 1.00 0.00 C ATOM 414 NE ARG A 68 -12.040 3.442 -2.027 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.710 4.589 -2.072 1.00 0.00 C ATOM 416 NH1 ARG A 68 -12.735 5.387 -1.015 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.354 4.938 -3.178 1.00 0.00 N ATOM 0 H ARG A 68 -7.874 2.499 2.427 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.374 3.234 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.510 2.338 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.815 3.970 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.169 4.800 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.314 3.471 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.107 1.914 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.921 3.118 0.037 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.039 2.851 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.239 5.122 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.250 6.267 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.335 4.326 -3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.868 5.818 -3.213 1.00 0.00 H new ATOM 431 N LYS A 69 -7.736 5.788 1.847 1.00 0.00 N ATOM 432 CA LYS A 69 -7.522 7.224 1.983 1.00 0.00 C ATOM 433 C LYS A 69 -6.041 7.539 2.163 1.00 0.00 C ATOM 434 O LYS A 69 -5.487 8.388 1.464 1.00 0.00 O ATOM 435 CB LYS A 69 -8.318 7.768 3.172 1.00 0.00 C ATOM 436 CG LYS A 69 -9.815 7.833 2.923 1.00 0.00 C ATOM 437 CD LYS A 69 -10.504 6.539 3.323 1.00 0.00 C ATOM 438 CE LYS A 69 -10.788 6.498 4.817 1.00 0.00 C ATOM 439 NZ LYS A 69 -9.643 5.935 5.584 1.00 0.00 N ATOM 0 H LYS A 69 -8.015 5.320 2.709 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.869 7.706 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.130 7.140 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.955 8.767 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.243 8.663 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.001 8.034 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.438 6.437 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.877 5.691 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.004 7.505 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.679 5.897 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.996 5.473 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.142 5.237 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.990 6.701 5.845 1.00 0.00 H new ATOM 453 N LEU A 70 -5.403 6.849 3.103 1.00 0.00 N ATOM 454 CA LEU A 70 -3.985 7.054 3.373 1.00 0.00 C ATOM 455 C LEU A 70 -3.202 7.224 2.075 1.00 0.00 C ATOM 456 O LEU A 70 -2.150 7.862 2.052 1.00 0.00 O ATOM 457 CB LEU A 70 -3.422 5.877 4.171 1.00 0.00 C ATOM 458 CG LEU A 70 -3.994 5.684 5.576 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.845 4.237 6.019 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.310 6.618 6.563 1.00 0.00 C ATOM 0 H LEU A 70 -5.846 6.143 3.691 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.881 7.966 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.593 4.963 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.343 6.003 4.254 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.056 5.928 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.258 4.119 7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.381 3.588 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.789 3.966 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.730 6.467 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.241 6.406 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.469 7.652 6.256 1.00 0.00 H new ATOM 472 N MET A 71 -3.724 6.650 0.996 1.00 0.00 N ATOM 473 CA MET A 71 -3.076 6.741 -0.307 1.00 0.00 C ATOM 474 C MET A 71 -3.349 8.094 -0.957 1.00 0.00 C ATOM 475 O MET A 71 -2.454 8.931 -1.069 1.00 0.00 O ATOM 476 CB MET A 71 -3.561 5.615 -1.222 1.00 0.00 C ATOM 477 CG MET A 71 -2.986 4.253 -0.867 1.00 0.00 C ATOM 478 SD MET A 71 -1.202 4.166 -1.115 1.00 0.00 S ATOM 479 CE MET A 71 -0.630 4.045 0.578 1.00 0.00 C ATOM 0 H MET A 71 -4.594 6.117 0.998 1.00 0.00 H new ATOM 0 HA MET A 71 -2.001 6.640 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.649 5.564 -1.176 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.296 5.855 -2.252 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.216 4.026 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.471 3.489 -1.474 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.158 3.295 0.643 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.239 5.010 0.900 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.460 3.756 1.223 1.00 0.00 H new ATOM 489 N MET A 72 -4.591 8.300 -1.384 1.00 0.00 N ATOM 490 CA MET A 72 -4.981 9.552 -2.023 1.00 0.00 C ATOM 491 C MET A 72 -4.422 10.749 -1.259 1.00 0.00 C ATOM 492 O MET A 72 -3.961 11.720 -1.859 1.00 0.00 O ATOM 493 CB MET A 72 -6.505 9.652 -2.107 1.00 0.00 C ATOM 494 CG MET A 72 -7.148 8.505 -2.870 1.00 0.00 C ATOM 495 SD MET A 72 -7.287 8.838 -4.637 1.00 0.00 S ATOM 496 CE MET A 72 -8.846 9.718 -4.694 1.00 0.00 C ATOM 0 H MET A 72 -5.344 7.617 -1.299 1.00 0.00 H new ATOM 0 HA MET A 72 -4.567 9.562 -3.031 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.915 9.681 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.773 10.593 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.560 7.599 -2.720 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.140 8.313 -2.461 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.071 9.993 -5.724 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.639 9.078 -4.307 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.778 10.619 -4.085 1.00 0.00 H new ATOM 506 N LEU A 73 -4.468 10.672 0.067 1.00 0.00 N ATOM 507 CA LEU A 73 -3.967 11.750 0.913 1.00 0.00 C ATOM 508 C LEU A 73 -2.464 11.934 0.726 1.00 0.00 C ATOM 509 O LEU A 73 -1.965 13.059 0.697 1.00 0.00 O ATOM 510 CB LEU A 73 -4.278 11.458 2.382 1.00 0.00 C ATOM 511 CG LEU A 73 -5.669 11.867 2.866 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.110 10.987 4.026 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.684 13.333 3.272 1.00 0.00 C ATOM 0 H LEU A 73 -4.847 9.875 0.579 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.467 12.673 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.155 10.389 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.536 11.967 2.998 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.372 11.731 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.102 11.292 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.140 9.947 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.404 11.091 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.682 13.606 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.968 13.495 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.412 13.950 2.416 1.00 0.00 H new ATOM 525 N HIS A 74 -1.748 10.822 0.598 1.00 0.00 N ATOM 526 CA HIS A 74 -0.302 10.860 0.411 1.00 0.00 C ATOM 527 C HIS A 74 0.061 10.685 -1.060 1.00 0.00 C ATOM 528 O HIS A 74 1.159 10.240 -1.390 1.00 0.00 O ATOM 529 CB HIS A 74 0.371 9.772 1.248 1.00 0.00 C ATOM 530 CG HIS A 74 0.529 10.137 2.692 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.512 10.989 3.150 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.180 9.762 3.782 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.402 11.121 4.459 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.382 10.387 4.868 1.00 0.00 N ATOM 0 H HIS A 74 -2.146 9.883 0.620 1.00 0.00 H new ATOM 0 HA HIS A 74 0.056 11.835 0.741 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.215 8.856 1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.353 9.557 0.827 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.214 11.446 2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.030 9.095 3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.038 11.726 5.089 1.00 0.00 H new ATOM 542 N GLY A 75 -0.871 11.038 -1.941 1.00 0.00 N ATOM 543 CA GLY A 75 -0.630 10.911 -3.366 1.00 0.00 C ATOM 544 C GLY A 75 -0.457 9.469 -3.799 1.00 0.00 C ATOM 545 O GLY A 75 0.528 9.123 -4.450 1.00 0.00 O ATOM 0 H GLY A 75 -1.788 11.409 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.462 11.354 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.263 11.477 -3.632 1.00 0.00 H new ATOM 549 N GLY A 76 -1.417 8.623 -3.435 1.00 0.00 N ATOM 550 CA GLY A 76 -1.346 7.220 -3.797 1.00 0.00 C ATOM 551 C GLY A 76 -2.498 6.791 -4.683 1.00 0.00 C ATOM 552 O GLY A 76 -3.233 7.629 -5.206 1.00 0.00 O ATOM 0 H GLY A 76 -2.242 8.885 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.405 7.028 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.343 6.614 -2.891 1.00 0.00 H new ATOM 556 N GLN A 77 -2.656 5.482 -4.854 1.00 0.00 N ATOM 557 CA GLN A 77 -3.726 4.944 -5.685 1.00 0.00 C ATOM 558 C GLN A 77 -4.414 3.771 -4.995 1.00 0.00 C ATOM 559 O GLN A 77 -3.842 3.138 -4.107 1.00 0.00 O ATOM 560 CB GLN A 77 -3.174 4.501 -7.041 1.00 0.00 C ATOM 561 CG GLN A 77 -3.141 5.613 -8.078 1.00 0.00 C ATOM 562 CD GLN A 77 -4.471 5.792 -8.783 1.00 0.00 C ATOM 563 OE1 GLN A 77 -5.408 5.022 -8.571 1.00 0.00 O ATOM 564 NE2 GLN A 77 -4.560 6.811 -9.630 1.00 0.00 N ATOM 0 H GLN A 77 -2.057 4.775 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.462 5.733 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.164 4.114 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.782 3.680 -7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.862 6.549 -7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.369 5.394 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.758 7.425 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.430 6.980 -10.135 1.00 0.00 H new ATOM 573 N TYR A 78 -5.644 3.486 -5.409 1.00 0.00 N ATOM 574 CA TYR A 78 -6.411 2.390 -4.829 1.00 0.00 C ATOM 575 C TYR A 78 -7.215 1.660 -5.900 1.00 0.00 C ATOM 576 O TYR A 78 -8.014 2.266 -6.614 1.00 0.00 O ATOM 577 CB TYR A 78 -7.350 2.916 -3.742 1.00 0.00 C ATOM 578 CG TYR A 78 -8.112 1.828 -3.021 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.284 1.304 -3.553 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.660 1.322 -1.808 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.984 0.310 -2.898 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.353 0.327 -1.146 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.515 -0.175 -1.695 1.00 0.00 C ATOM 584 OH TYR A 78 -10.209 -1.166 -1.039 1.00 0.00 O ATOM 0 H TYR A 78 -6.131 3.999 -6.144 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.709 1.685 -4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.769 3.483 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.061 3.609 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.654 1.681 -4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.751 1.713 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.894 -0.085 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.987 -0.056 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.594 -1.889 -0.794 1.00 0.00 H new ATOM 594 N HIS A 79 -6.997 0.353 -6.007 1.00 0.00 N ATOM 595 CA HIS A 79 -7.701 -0.462 -6.990 1.00 0.00 C ATOM 596 C HIS A 79 -8.551 -1.527 -6.305 1.00 0.00 C ATOM 597 O HIS A 79 -8.059 -2.285 -5.468 1.00 0.00 O ATOM 598 CB HIS A 79 -6.705 -1.123 -7.943 1.00 0.00 C ATOM 599 CG HIS A 79 -5.656 -0.186 -8.459 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.410 -0.605 -8.874 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.675 1.158 -8.626 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.707 0.440 -9.273 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.451 1.521 -9.133 1.00 0.00 N ATOM 0 H HIS A 79 -6.338 -0.164 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.360 0.191 -7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.219 -1.952 -7.429 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.249 -1.546 -8.787 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.498 1.820 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.695 0.414 -9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.164 2.472 -9.364 1.00 0.00 H new ATOM 611 N VAL A 80 -9.830 -1.579 -6.664 1.00 0.00 N ATOM 612 CA VAL A 80 -10.748 -2.552 -6.083 1.00 0.00 C ATOM 613 C VAL A 80 -10.504 -3.945 -6.651 1.00 0.00 C ATOM 614 O VAL A 80 -10.622 -4.945 -5.943 1.00 0.00 O ATOM 615 CB VAL A 80 -12.215 -2.157 -6.334 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.153 -3.056 -5.543 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.441 -0.695 -5.981 1.00 0.00 C ATOM 0 H VAL A 80 -10.254 -0.959 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.560 -2.563 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.432 -2.289 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.185 -2.762 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.009 -4.092 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.938 -2.959 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.483 -0.433 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.206 -0.534 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.796 -0.068 -6.596 1.00 0.00 H new ATOM 627 N TYR A 81 -10.161 -4.004 -7.933 1.00 0.00 N ATOM 628 CA TYR A 81 -9.901 -5.275 -8.598 1.00 0.00 C ATOM 629 C TYR A 81 -8.429 -5.401 -8.978 1.00 0.00 C ATOM 630 O TYR A 81 -7.907 -4.604 -9.759 1.00 0.00 O ATOM 631 CB TYR A 81 -10.775 -5.410 -9.846 1.00 0.00 C ATOM 632 CG TYR A 81 -12.255 -5.279 -9.567 1.00 0.00 C ATOM 633 CD1 TYR A 81 -13.013 -6.384 -9.199 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.896 -4.051 -9.672 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.365 -6.269 -8.943 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.248 -3.926 -9.416 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.978 -5.038 -9.053 1.00 0.00 C ATOM 638 OH TYR A 81 -16.325 -4.919 -8.799 1.00 0.00 O ATOM 0 H TYR A 81 -10.057 -3.186 -8.533 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.147 -6.077 -7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.481 -4.649 -10.569 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.586 -6.379 -10.309 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.537 -7.349 -9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.328 -3.179 -9.959 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.939 -7.138 -8.658 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.730 -2.963 -9.500 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.600 -3.986 -8.920 1.00 0.00 H new ATOM 648 N TYR A 82 -7.765 -6.407 -8.420 1.00 0.00 N ATOM 649 CA TYR A 82 -6.352 -6.637 -8.697 1.00 0.00 C ATOM 650 C TYR A 82 -6.032 -6.355 -10.162 1.00 0.00 C ATOM 651 O TYR A 82 -6.670 -6.897 -11.064 1.00 0.00 O ATOM 652 CB TYR A 82 -5.970 -8.077 -8.348 1.00 0.00 C ATOM 653 CG TYR A 82 -4.528 -8.411 -8.652 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.492 -7.821 -7.939 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.200 -9.317 -9.654 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.172 -8.123 -8.214 1.00 0.00 C ATOM 657 CE2 TYR A 82 -2.883 -9.626 -9.935 1.00 0.00 C ATOM 658 CZ TYR A 82 -1.873 -9.026 -9.212 1.00 0.00 C ATOM 659 OH TYR A 82 -0.560 -9.331 -9.490 1.00 0.00 O ATOM 0 H TYR A 82 -8.182 -7.076 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.770 -5.954 -8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.158 -8.247 -7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.616 -8.759 -8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.722 -7.114 -7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.988 -9.788 -10.223 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.379 -7.654 -7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.646 -10.333 -10.716 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.501 -10.251 -9.823 1.00 0.00 H new ATOM 669 N SER A 83 -5.037 -5.504 -10.390 1.00 0.00 N ATOM 670 CA SER A 83 -4.632 -5.146 -11.744 1.00 0.00 C ATOM 671 C SER A 83 -3.118 -5.246 -11.903 1.00 0.00 C ATOM 672 O SER A 83 -2.375 -4.384 -11.433 1.00 0.00 O ATOM 673 CB SER A 83 -5.099 -3.729 -12.082 1.00 0.00 C ATOM 674 OG SER A 83 -6.471 -3.714 -12.435 1.00 0.00 O ATOM 0 H SER A 83 -4.496 -5.049 -9.654 1.00 0.00 H new ATOM 0 HA SER A 83 -5.100 -5.849 -12.434 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.933 -3.075 -11.226 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.504 -3.334 -12.905 1.00 0.00 H new ATOM 0 HG SER A 83 -7.010 -3.997 -11.667 1.00 0.00 H new ATOM 680 N ARG A 84 -2.668 -6.305 -12.569 1.00 0.00 N ATOM 681 CA ARG A 84 -1.243 -6.519 -12.789 1.00 0.00 C ATOM 682 C ARG A 84 -0.631 -5.356 -13.564 1.00 0.00 C ATOM 683 O ARG A 84 0.579 -5.133 -13.517 1.00 0.00 O ATOM 684 CB ARG A 84 -1.014 -7.828 -13.547 1.00 0.00 C ATOM 685 CG ARG A 84 -1.320 -9.069 -12.726 1.00 0.00 C ATOM 686 CD ARG A 84 -1.253 -10.329 -13.575 1.00 0.00 C ATOM 687 NE ARG A 84 0.118 -10.805 -13.740 1.00 0.00 N ATOM 688 CZ ARG A 84 0.482 -11.694 -14.658 1.00 0.00 C ATOM 689 NH1 ARG A 84 -0.419 -12.200 -15.489 1.00 0.00 N ATOM 690 NH2 ARG A 84 1.749 -12.078 -14.746 1.00 0.00 N ATOM 0 H ARG A 84 -3.269 -7.027 -12.965 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.756 -6.580 -11.816 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.636 -7.833 -14.442 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.023 -7.869 -13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.610 -9.146 -11.902 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.312 -8.979 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.855 -11.111 -13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.688 -10.130 -14.554 1.00 0.00 H new ATOM 0 HE ARG A 84 0.835 -10.435 -13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.394 -11.907 -15.424 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.137 -12.882 -16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.445 -11.691 -14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.027 -12.761 -15.451 1.00 0.00 H new ATOM 704 N SER A 85 -1.475 -4.617 -14.277 1.00 0.00 N ATOM 705 CA SER A 85 -1.018 -3.479 -15.065 1.00 0.00 C ATOM 706 C SER A 85 -1.055 -2.196 -14.240 1.00 0.00 C ATOM 707 O SER A 85 -0.213 -1.313 -14.405 1.00 0.00 O ATOM 708 CB SER A 85 -1.882 -3.319 -16.317 1.00 0.00 C ATOM 709 OG SER A 85 -3.260 -3.303 -15.987 1.00 0.00 O ATOM 0 H SER A 85 -2.480 -4.786 -14.325 1.00 0.00 H new ATOM 0 HA SER A 85 0.013 -3.667 -15.365 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.617 -2.394 -16.830 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.680 -4.137 -17.009 1.00 0.00 H new ATOM 0 HG SER A 85 -3.791 -3.198 -16.804 1.00 0.00 H new ATOM 715 N LYS A 86 -2.037 -2.100 -13.351 1.00 0.00 N ATOM 716 CA LYS A 86 -2.186 -0.927 -12.498 1.00 0.00 C ATOM 717 C LYS A 86 -1.571 -1.173 -11.124 1.00 0.00 C ATOM 718 O LYS A 86 -0.592 -0.528 -10.745 1.00 0.00 O ATOM 719 CB LYS A 86 -3.665 -0.564 -12.349 1.00 0.00 C ATOM 720 CG LYS A 86 -4.449 -0.659 -13.646 1.00 0.00 C ATOM 721 CD LYS A 86 -4.275 0.589 -14.495 1.00 0.00 C ATOM 722 CE LYS A 86 -4.815 0.385 -15.903 1.00 0.00 C ATOM 723 NZ LYS A 86 -4.464 1.519 -16.801 1.00 0.00 N ATOM 0 H LYS A 86 -2.743 -2.821 -13.202 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.660 -0.096 -12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.120 -1.224 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.744 0.451 -11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.119 -1.532 -14.209 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.506 -0.804 -13.423 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.791 1.426 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.219 0.853 -14.544 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.415 -0.542 -16.315 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.899 0.275 -15.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.850 1.342 -17.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.867 2.400 -16.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.429 1.609 -16.859 1.00 0.00 H new ATOM 737 N THR A 87 -2.150 -2.110 -10.380 1.00 0.00 N ATOM 738 CA THR A 87 -1.658 -2.441 -9.048 1.00 0.00 C ATOM 739 C THR A 87 -0.212 -2.921 -9.099 1.00 0.00 C ATOM 740 O THR A 87 0.119 -3.850 -9.837 1.00 0.00 O ATOM 741 CB THR A 87 -2.525 -3.527 -8.383 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.901 -3.338 -8.732 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.370 -3.491 -6.870 1.00 0.00 C ATOM 0 H THR A 87 -2.960 -2.653 -10.677 1.00 0.00 H new ATOM 0 HA THR A 87 -1.714 -1.528 -8.455 1.00 0.00 H new ATOM 0 HB THR A 87 -2.190 -4.500 -8.744 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.168 -2.418 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.991 -4.266 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.327 -3.665 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.681 -2.516 -6.496 1.00 0.00 H new ATOM 751 N THR A 88 0.646 -2.283 -8.310 1.00 0.00 N ATOM 752 CA THR A 88 2.058 -2.645 -8.265 1.00 0.00 C ATOM 753 C THR A 88 2.330 -3.661 -7.162 1.00 0.00 C ATOM 754 O THR A 88 3.024 -4.655 -7.378 1.00 0.00 O ATOM 755 CB THR A 88 2.948 -1.409 -8.040 1.00 0.00 C ATOM 756 OG1 THR A 88 2.383 -0.578 -7.019 1.00 0.00 O ATOM 757 CG2 THR A 88 3.099 -0.609 -9.326 1.00 0.00 C ATOM 0 H THR A 88 0.388 -1.513 -7.693 1.00 0.00 H new ATOM 0 HA THR A 88 2.302 -3.088 -9.231 1.00 0.00 H new ATOM 0 HB THR A 88 3.934 -1.751 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.591 -0.954 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.732 0.259 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.556 -1.235 -10.093 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.118 -0.277 -9.666 1.00 0.00 H new ATOM 765 N HIS A 89 1.779 -3.407 -5.980 1.00 0.00 N ATOM 766 CA HIS A 89 1.962 -4.301 -4.842 1.00 0.00 C ATOM 767 C HIS A 89 0.619 -4.816 -4.334 1.00 0.00 C ATOM 768 O HIS A 89 -0.435 -4.286 -4.690 1.00 0.00 O ATOM 769 CB HIS A 89 2.705 -3.582 -3.716 1.00 0.00 C ATOM 770 CG HIS A 89 3.937 -2.864 -4.173 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.899 -1.714 -4.934 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.247 -3.138 -3.972 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.133 -1.313 -5.182 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.970 -2.159 -4.609 1.00 0.00 N ATOM 0 H HIS A 89 1.202 -2.589 -5.785 1.00 0.00 H new ATOM 0 HA HIS A 89 2.556 -5.153 -5.173 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.031 -2.866 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.981 -4.309 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.649 -3.971 -3.415 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.410 -0.441 -5.756 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.988 -2.096 -4.635 1.00 0.00 H new ATOM 782 N ILE A 90 0.663 -5.851 -3.503 1.00 0.00 N ATOM 783 CA ILE A 90 -0.550 -6.437 -2.946 1.00 0.00 C ATOM 784 C ILE A 90 -0.510 -6.439 -1.422 1.00 0.00 C ATOM 785 O ILE A 90 0.354 -7.072 -0.814 1.00 0.00 O ATOM 786 CB ILE A 90 -0.759 -7.879 -3.445 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.913 -7.897 -4.967 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.977 -8.499 -2.776 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.881 -9.288 -5.561 1.00 0.00 C ATOM 0 H ILE A 90 1.526 -6.302 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.382 -5.820 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 90 0.117 -8.471 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.855 -7.418 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.115 -7.302 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.112 -9.518 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.830 -8.515 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.862 -7.909 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.996 -9.224 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.071 -9.763 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.695 -9.880 -5.144 1.00 0.00 H new ATOM 801 N ILE A 91 -1.452 -5.729 -0.810 1.00 0.00 N ATOM 802 CA ILE A 91 -1.527 -5.651 0.643 1.00 0.00 C ATOM 803 C ILE A 91 -2.371 -6.786 1.212 1.00 0.00 C ATOM 804 O ILE A 91 -3.571 -6.871 0.952 1.00 0.00 O ATOM 805 CB ILE A 91 -2.117 -4.306 1.106 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.394 -3.144 0.421 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.021 -4.178 2.619 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.038 -2.971 0.876 1.00 0.00 C ATOM 0 H ILE A 91 -2.174 -5.199 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.506 -5.738 1.016 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.169 -4.272 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.407 -3.303 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.942 -2.222 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.442 -3.222 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.576 -4.990 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.976 -4.230 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.488 -2.130 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.058 -2.780 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.601 -3.879 0.658 1.00 0.00 H new ATOM 820 N ALA A 92 -1.736 -7.656 1.991 1.00 0.00 N ATOM 821 CA ALA A 92 -2.430 -8.784 2.600 1.00 0.00 C ATOM 822 C ALA A 92 -1.636 -9.349 3.772 1.00 0.00 C ATOM 823 O ALA A 92 -0.440 -9.621 3.653 1.00 0.00 O ATOM 824 CB ALA A 92 -2.687 -9.868 1.563 1.00 0.00 C ATOM 0 H ALA A 92 -0.742 -7.601 2.215 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.387 -8.427 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.206 -10.704 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.302 -9.464 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.737 -10.213 1.155 1.00 0.00 H new ATOM 830 N THR A 93 -2.307 -9.524 4.907 1.00 0.00 N ATOM 831 CA THR A 93 -1.663 -10.055 6.102 1.00 0.00 C ATOM 832 C THR A 93 -1.123 -11.459 5.858 1.00 0.00 C ATOM 833 O THR A 93 0.074 -11.707 5.997 1.00 0.00 O ATOM 834 CB THR A 93 -2.637 -10.091 7.295 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.583 -9.022 7.188 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.883 -9.978 8.611 1.00 0.00 C ATOM 0 H THR A 93 -3.297 -9.305 5.023 1.00 0.00 H new ATOM 0 HA THR A 93 -0.835 -9.387 6.339 1.00 0.00 H new ATOM 0 HB THR A 93 -3.165 -11.045 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.466 -9.387 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.591 -10.006 9.439 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.184 -10.810 8.703 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.333 -9.038 8.635 1.00 0.00 H new ATOM 844 N ASN A 94 -2.014 -12.375 5.493 1.00 0.00 N ATOM 845 CA ASN A 94 -1.626 -13.756 5.229 1.00 0.00 C ATOM 846 C ASN A 94 -2.545 -14.390 4.189 1.00 0.00 C ATOM 847 O ASN A 94 -3.737 -14.085 4.128 1.00 0.00 O ATOM 848 CB ASN A 94 -1.661 -14.574 6.522 1.00 0.00 C ATOM 849 CG ASN A 94 -0.341 -14.534 7.267 1.00 0.00 C ATOM 850 OD1 ASN A 94 0.720 -14.756 6.684 1.00 0.00 O ATOM 851 ND2 ASN A 94 -0.401 -14.250 8.563 1.00 0.00 N ATOM 0 H ASN A 94 -3.009 -12.186 5.373 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.609 -13.752 4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.452 -14.193 7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.912 -15.609 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.455 -14.209 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -1.303 -14.073 9.005 1.00 0.00 H new ATOM 858 N LEU A 95 -1.983 -15.275 3.372 1.00 0.00 N ATOM 859 CA LEU A 95 -2.751 -15.953 2.334 1.00 0.00 C ATOM 860 C LEU A 95 -2.518 -17.460 2.381 1.00 0.00 C ATOM 861 O LEU A 95 -1.417 -17.934 2.662 1.00 0.00 O ATOM 862 CB LEU A 95 -2.373 -15.410 0.955 1.00 0.00 C ATOM 863 CG LEU A 95 -2.331 -13.887 0.822 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.556 -13.481 -0.422 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.741 -13.316 0.784 1.00 0.00 C ATOM 0 H LEU A 95 -0.999 -15.539 3.409 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.809 -15.761 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.393 -15.805 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.084 -15.799 0.226 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.819 -13.479 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.537 -12.394 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.536 -13.858 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.040 -13.900 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.692 -12.231 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.279 -13.731 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.264 -13.576 1.704 1.00 0.00 H new ATOM 877 N PRO A 96 -3.577 -18.232 2.098 1.00 0.00 N ATOM 878 CA PRO A 96 -3.512 -19.696 2.098 1.00 0.00 C ATOM 879 C PRO A 96 -2.682 -20.240 0.940 1.00 0.00 C ATOM 880 O PRO A 96 -2.619 -19.634 -0.128 1.00 0.00 O ATOM 881 CB PRO A 96 -4.976 -20.117 1.950 1.00 0.00 C ATOM 882 CG PRO A 96 -5.634 -18.966 1.269 1.00 0.00 C ATOM 883 CD PRO A 96 -4.920 -17.735 1.754 1.00 0.00 C ATOM 0 HA PRO A 96 -3.032 -20.082 2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.068 -21.030 1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.431 -20.316 2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.559 -19.059 0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.695 -18.923 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.878 -16.965 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.419 -17.295 2.618 1.00 0.00 H new ATOM 891 N ASN A 97 -2.048 -21.388 1.160 1.00 0.00 N ATOM 892 CA ASN A 97 -1.222 -22.013 0.134 1.00 0.00 C ATOM 893 C ASN A 97 -1.860 -21.863 -1.244 1.00 0.00 C ATOM 894 O ASN A 97 -1.164 -21.727 -2.250 1.00 0.00 O ATOM 895 CB ASN A 97 -1.012 -23.495 0.452 1.00 0.00 C ATOM 896 CG ASN A 97 -2.272 -24.314 0.250 1.00 0.00 C ATOM 897 OD1 ASN A 97 -3.346 -23.924 0.926 1.00 0.00 O flip ATOM 898 ND2 ASN A 97 -2.279 -25.286 -0.505 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.091 -21.903 2.039 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.255 -21.509 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.219 -23.891 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.676 -23.598 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.430 -25.550 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.134 -25.828 -0.631 1.00 0.00 H new ATOM 905 N ALA A 98 -3.188 -21.888 -1.281 1.00 0.00 N ATOM 906 CA ALA A 98 -3.920 -21.753 -2.535 1.00 0.00 C ATOM 907 C ALA A 98 -3.721 -20.367 -3.139 1.00 0.00 C ATOM 908 O ALA A 98 -3.224 -20.231 -4.257 1.00 0.00 O ATOM 909 CB ALA A 98 -5.400 -22.027 -2.314 1.00 0.00 C ATOM 0 H ALA A 98 -3.779 -22.000 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.527 -22.487 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.934 -21.923 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.530 -23.040 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.798 -21.315 -1.591 1.00 0.00 H new ATOM 915 N LYS A 99 -4.113 -19.339 -2.393 1.00 0.00 N ATOM 916 CA LYS A 99 -3.977 -17.963 -2.855 1.00 0.00 C ATOM 917 C LYS A 99 -2.515 -17.619 -3.119 1.00 0.00 C ATOM 918 O LYS A 99 -2.212 -16.645 -3.809 1.00 0.00 O ATOM 919 CB LYS A 99 -4.561 -16.997 -1.821 1.00 0.00 C ATOM 920 CG LYS A 99 -6.063 -17.134 -1.640 1.00 0.00 C ATOM 921 CD LYS A 99 -6.817 -16.671 -2.875 1.00 0.00 C ATOM 922 CE LYS A 99 -6.529 -15.210 -3.189 1.00 0.00 C ATOM 923 NZ LYS A 99 -7.685 -14.548 -3.854 1.00 0.00 N ATOM 0 H LYS A 99 -4.527 -19.433 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.529 -17.863 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.071 -17.165 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.332 -15.975 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.312 -18.174 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.381 -16.549 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.536 -17.290 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.888 -16.807 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.289 -14.681 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.652 -15.143 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.447 -14.350 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.514 -15.175 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.903 -13.656 -3.365 1.00 0.00 H new ATOM 937 N ILE A 100 -1.613 -18.424 -2.566 1.00 0.00 N ATOM 938 CA ILE A 100 -0.183 -18.205 -2.745 1.00 0.00 C ATOM 939 C ILE A 100 0.292 -18.746 -4.089 1.00 0.00 C ATOM 940 O ILE A 100 1.357 -18.373 -4.581 1.00 0.00 O ATOM 941 CB ILE A 100 0.632 -18.869 -1.620 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.375 -18.161 -0.288 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.116 -18.849 -1.958 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.590 -19.048 0.919 1.00 0.00 C ATOM 0 H ILE A 100 -1.847 -19.233 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.022 -17.127 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 100 0.314 -19.907 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.032 -17.294 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.649 -17.787 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.679 -19.322 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.285 -19.393 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.448 -17.818 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.390 -18.480 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.086 -19.902 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.621 -19.402 0.932 1.00 0.00 H new ATOM 956 N LYS A 101 -0.507 -19.628 -4.681 1.00 0.00 N ATOM 957 CA LYS A 101 -0.171 -20.220 -5.971 1.00 0.00 C ATOM 958 C LYS A 101 -0.669 -19.345 -7.117 1.00 0.00 C ATOM 959 O LYS A 101 -0.142 -19.403 -8.228 1.00 0.00 O ATOM 960 CB LYS A 101 -0.776 -21.621 -6.086 1.00 0.00 C ATOM 961 CG LYS A 101 -0.640 -22.231 -7.470 1.00 0.00 C ATOM 962 CD LYS A 101 -0.732 -23.747 -7.423 1.00 0.00 C ATOM 963 CE LYS A 101 0.630 -24.382 -7.191 1.00 0.00 C ATOM 964 NZ LYS A 101 0.940 -24.518 -5.741 1.00 0.00 N ATOM 0 H LYS A 101 -1.392 -19.949 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 101 0.915 -20.293 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.294 -22.276 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.832 -21.574 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.422 -21.838 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.315 -21.937 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.414 -24.046 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.152 -24.116 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.657 -25.365 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.399 -23.777 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.581 -25.324 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.397 -23.648 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.059 -24.677 -5.211 1.00 0.00 H new ATOM 978 N GLU A 102 -1.685 -18.534 -6.839 1.00 0.00 N ATOM 979 CA GLU A 102 -2.252 -17.647 -7.848 1.00 0.00 C ATOM 980 C GLU A 102 -1.487 -16.328 -7.904 1.00 0.00 C ATOM 981 O GLU A 102 -1.711 -15.504 -8.792 1.00 0.00 O ATOM 982 CB GLU A 102 -3.729 -17.380 -7.552 1.00 0.00 C ATOM 983 CG GLU A 102 -3.959 -16.214 -6.605 1.00 0.00 C ATOM 984 CD GLU A 102 -5.427 -16.000 -6.289 1.00 0.00 C ATOM 985 OE1 GLU A 102 -6.163 -17.002 -6.182 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.838 -14.829 -6.149 1.00 0.00 O ATOM 0 H GLU A 102 -2.132 -18.473 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.166 -18.139 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.249 -17.184 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.173 -18.278 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.414 -16.391 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.550 -15.305 -7.047 1.00 0.00 H new ATOM 993 N LEU A 103 -0.583 -16.134 -6.950 1.00 0.00 N ATOM 994 CA LEU A 103 0.216 -14.915 -6.889 1.00 0.00 C ATOM 995 C LEU A 103 1.706 -15.236 -6.960 1.00 0.00 C ATOM 996 O LEU A 103 2.516 -14.636 -6.254 1.00 0.00 O ATOM 997 CB LEU A 103 -0.090 -14.144 -5.604 1.00 0.00 C ATOM 998 CG LEU A 103 -1.556 -13.773 -5.378 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.813 -13.486 -3.906 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -1.941 -12.574 -6.232 1.00 0.00 C ATOM 0 H LEU A 103 -0.385 -16.805 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.045 -14.296 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.248 -14.741 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.500 -13.228 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.175 -14.619 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.861 -13.224 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.577 -14.372 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.184 -12.657 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.988 -12.324 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.316 -11.722 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.796 -12.816 -7.285 1.00 0.00 H new ATOM 1012 N LYS A 104 2.061 -16.186 -7.819 1.00 0.00 N ATOM 1013 CA LYS A 104 3.453 -16.585 -7.986 1.00 0.00 C ATOM 1014 C LYS A 104 4.277 -15.449 -8.582 1.00 0.00 C ATOM 1015 O LYS A 104 3.932 -14.901 -9.628 1.00 0.00 O ATOM 1016 CB LYS A 104 3.546 -17.822 -8.883 1.00 0.00 C ATOM 1017 CG LYS A 104 3.452 -19.133 -8.122 1.00 0.00 C ATOM 1018 CD LYS A 104 4.178 -20.253 -8.848 1.00 0.00 C ATOM 1019 CE LYS A 104 5.634 -20.343 -8.420 1.00 0.00 C ATOM 1020 NZ LYS A 104 6.495 -20.912 -9.494 1.00 0.00 N ATOM 0 H LYS A 104 1.403 -16.694 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 104 3.857 -16.825 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.748 -17.784 -9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.489 -17.795 -9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.877 -19.008 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.404 -19.403 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.679 -21.201 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.124 -20.086 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.996 -19.350 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.712 -20.962 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.480 -20.957 -9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.166 -21.870 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.441 -20.308 -10.339 1.00 0.00 H new ATOM 1034 N GLY A 105 5.371 -15.101 -7.911 1.00 0.00 N ATOM 1035 CA GLY A 105 6.228 -14.033 -8.390 1.00 0.00 C ATOM 1036 C GLY A 105 5.807 -12.673 -7.869 1.00 0.00 C ATOM 1037 O GLY A 105 6.646 -11.805 -7.633 1.00 0.00 O ATOM 0 H GLY A 105 5.679 -15.540 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.256 -14.232 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.214 -14.021 -9.480 1.00 0.00 H new ATOM 1041 N GLU A 106 4.502 -12.487 -7.692 1.00 0.00 N ATOM 1042 CA GLU A 106 3.972 -11.222 -7.198 1.00 0.00 C ATOM 1043 C GLU A 106 4.707 -10.780 -5.936 1.00 0.00 C ATOM 1044 O GLU A 106 5.520 -11.522 -5.384 1.00 0.00 O ATOM 1045 CB GLU A 106 2.474 -11.348 -6.912 1.00 0.00 C ATOM 1046 CG GLU A 106 1.614 -11.364 -8.164 1.00 0.00 C ATOM 1047 CD GLU A 106 2.102 -12.364 -9.194 1.00 0.00 C ATOM 1048 OE1 GLU A 106 3.017 -12.018 -9.971 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.569 -13.493 -9.223 1.00 0.00 O ATOM 0 H GLU A 106 3.794 -13.196 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 106 4.125 -10.467 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.296 -12.264 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.163 -10.518 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.586 -11.602 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.604 -10.368 -8.606 1.00 0.00 H new ATOM 1056 N LYS A 107 4.415 -9.565 -5.483 1.00 0.00 N ATOM 1057 CA LYS A 107 5.046 -9.022 -4.286 1.00 0.00 C ATOM 1058 C LYS A 107 4.001 -8.679 -3.229 1.00 0.00 C ATOM 1059 O LYS A 107 3.382 -7.616 -3.276 1.00 0.00 O ATOM 1060 CB LYS A 107 5.861 -7.775 -4.636 1.00 0.00 C ATOM 1061 CG LYS A 107 7.304 -8.075 -5.003 1.00 0.00 C ATOM 1062 CD LYS A 107 8.191 -6.854 -4.824 1.00 0.00 C ATOM 1063 CE LYS A 107 9.594 -7.101 -5.356 1.00 0.00 C ATOM 1064 NZ LYS A 107 9.589 -7.413 -6.812 1.00 0.00 N ATOM 0 H LYS A 107 3.745 -8.938 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 107 5.713 -9.782 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.382 -7.260 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.845 -7.091 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.676 -8.890 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.354 -8.414 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.749 -6.003 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.242 -6.592 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.211 -6.221 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.049 -7.927 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.544 -7.275 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.296 -8.401 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.923 -6.781 -7.300 1.00 0.00 H new ATOM 1078 N VAL A 108 3.812 -9.585 -2.275 1.00 0.00 N ATOM 1079 CA VAL A 108 2.845 -9.377 -1.204 1.00 0.00 C ATOM 1080 C VAL A 108 3.483 -8.665 -0.017 1.00 0.00 C ATOM 1081 O VAL A 108 4.492 -9.120 0.523 1.00 0.00 O ATOM 1082 CB VAL A 108 2.243 -10.711 -0.725 1.00 0.00 C ATOM 1083 CG1 VAL A 108 0.925 -10.474 -0.004 1.00 0.00 C ATOM 1084 CG2 VAL A 108 2.055 -11.662 -1.897 1.00 0.00 C ATOM 0 H VAL A 108 4.316 -10.470 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 108 2.050 -8.754 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 108 2.937 -11.171 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.515 -11.428 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.094 -9.832 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.221 -9.992 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.629 -12.600 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.382 -11.212 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.020 -11.857 -2.366 1.00 0.00 H new ATOM 1094 N ILE A 109 2.889 -7.546 0.384 1.00 0.00 N ATOM 1095 CA ILE A 109 3.400 -6.772 1.509 1.00 0.00 C ATOM 1096 C ILE A 109 2.329 -6.585 2.579 1.00 0.00 C ATOM 1097 O ILE A 109 1.139 -6.512 2.274 1.00 0.00 O ATOM 1098 CB ILE A 109 3.904 -5.388 1.057 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.681 -5.508 -0.256 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.773 -4.762 2.138 1.00 0.00 C ATOM 1101 CD1 ILE A 109 5.773 -6.554 -0.218 1.00 0.00 C ATOM 0 H ILE A 109 2.054 -7.155 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 109 4.234 -7.335 1.927 1.00 0.00 H new ATOM 0 HB ILE A 109 3.043 -4.741 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.985 -5.750 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.123 -4.541 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.122 -3.785 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.190 -4.647 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.631 -5.406 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.282 -6.584 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.490 -6.303 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.335 -7.530 -0.008 1.00 0.00 H new ATOM 1113 N ARG A 110 2.761 -6.508 3.833 1.00 0.00 N ATOM 1114 CA ARG A 110 1.840 -6.329 4.949 1.00 0.00 C ATOM 1115 C ARG A 110 1.301 -4.902 4.985 1.00 0.00 C ATOM 1116 O ARG A 110 1.942 -3.958 4.525 1.00 0.00 O ATOM 1117 CB ARG A 110 2.537 -6.656 6.271 1.00 0.00 C ATOM 1118 CG ARG A 110 3.014 -8.096 6.368 1.00 0.00 C ATOM 1119 CD ARG A 110 3.993 -8.282 7.516 1.00 0.00 C ATOM 1120 NE ARG A 110 4.132 -9.686 7.896 1.00 0.00 N ATOM 1121 CZ ARG A 110 3.207 -10.359 8.571 1.00 0.00 C ATOM 1122 NH1 ARG A 110 2.083 -9.760 8.939 1.00 0.00 N ATOM 1123 NH2 ARG A 110 3.405 -11.634 8.879 1.00 0.00 N ATOM 0 H ARG A 110 3.743 -6.567 4.102 1.00 0.00 H new ATOM 0 HA ARG A 110 1.002 -7.012 4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.391 -5.990 6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.851 -6.453 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.158 -8.755 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.490 -8.387 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.967 -7.886 7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.655 -7.705 8.377 1.00 0.00 H new ATOM 0 HE ARG A 110 4.986 -10.176 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.927 -8.780 8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.374 -10.279 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.268 -12.099 8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.694 -12.150 9.397 1.00 0.00 H new ATOM 1137 N PRO A 111 0.092 -4.740 5.545 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.560 -3.432 5.655 1.00 0.00 C ATOM 1139 C PRO A 111 0.135 -2.520 6.659 1.00 0.00 C ATOM 1140 O PRO A 111 -0.283 -1.383 6.871 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.971 -3.779 6.136 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.822 -5.085 6.838 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.729 -5.822 6.114 1.00 0.00 C ATOM 0 HA PRO A 111 -0.538 -2.885 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.361 -3.012 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.666 -3.856 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.565 -4.937 7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.754 -5.649 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.151 -6.451 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.130 -6.474 5.337 1.00 0.00 H new ATOM 1151 N GLU A 112 1.199 -3.027 7.274 1.00 0.00 N ATOM 1152 CA GLU A 112 1.952 -2.256 8.257 1.00 0.00 C ATOM 1153 C GLU A 112 3.045 -1.433 7.581 1.00 0.00 C ATOM 1154 O GLU A 112 3.443 -0.381 8.081 1.00 0.00 O ATOM 1155 CB GLU A 112 2.572 -3.186 9.302 1.00 0.00 C ATOM 1156 CG GLU A 112 1.584 -3.664 10.353 1.00 0.00 C ATOM 1157 CD GLU A 112 2.243 -3.935 11.692 1.00 0.00 C ATOM 1158 OE1 GLU A 112 2.733 -2.971 12.317 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.269 -5.110 12.114 1.00 0.00 O ATOM 0 H GLU A 112 1.559 -3.967 7.109 1.00 0.00 H new ATOM 0 HA GLU A 112 1.261 -1.574 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.000 -4.052 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.393 -2.667 9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.804 -2.913 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.097 -4.573 10.001 1.00 0.00 H new ATOM 1166 N TRP A 113 3.526 -1.920 6.443 1.00 0.00 N ATOM 1167 CA TRP A 113 4.573 -1.230 5.698 1.00 0.00 C ATOM 1168 C TRP A 113 4.146 0.191 5.348 1.00 0.00 C ATOM 1169 O TRP A 113 4.963 1.112 5.346 1.00 0.00 O ATOM 1170 CB TRP A 113 4.914 -2.003 4.423 1.00 0.00 C ATOM 1171 CG TRP A 113 5.637 -1.176 3.403 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.849 -0.565 3.554 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.193 -0.869 2.077 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.185 0.103 2.401 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.186 -0.068 1.480 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.054 -1.195 1.336 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.072 0.411 0.178 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 3.942 -0.718 0.043 1.00 0.00 C ATOM 1179 CH2 TRP A 113 4.946 0.077 -0.525 1.00 0.00 C ATOM 0 H TRP A 113 3.208 -2.790 6.016 1.00 0.00 H new ATOM 0 HA TRP A 113 5.460 -1.177 6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.528 -2.865 4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.994 -2.388 3.983 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.454 -0.601 4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.040 0.639 2.255 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.276 -1.808 1.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.844 1.024 -0.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.066 -0.962 -0.539 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.829 0.433 -1.538 1.00 0.00 H new ATOM 1190 N ILE A 114 2.862 0.362 5.051 1.00 0.00 N ATOM 1191 CA ILE A 114 2.327 1.672 4.701 1.00 0.00 C ATOM 1192 C ILE A 114 2.067 2.511 5.947 1.00 0.00 C ATOM 1193 O ILE A 114 2.628 3.596 6.107 1.00 0.00 O ATOM 1194 CB ILE A 114 1.020 1.550 3.896 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.207 0.587 2.721 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.573 2.917 3.401 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.096 0.103 2.124 1.00 0.00 C ATOM 0 H ILE A 114 2.173 -0.390 5.046 1.00 0.00 H new ATOM 0 HA ILE A 114 3.079 2.165 4.085 1.00 0.00 H new ATOM 0 HB ILE A 114 0.244 1.150 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.791 1.082 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.786 -0.274 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.352 2.814 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.405 3.575 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.346 3.343 2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.113 -0.575 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.673 -0.421 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.668 0.956 1.758 1.00 0.00 H new ATOM 1209 N VAL A 115 1.214 2.001 6.830 1.00 0.00 N ATOM 1210 CA VAL A 115 0.881 2.702 8.064 1.00 0.00 C ATOM 1211 C VAL A 115 2.109 3.386 8.656 1.00 0.00 C ATOM 1212 O VAL A 115 2.038 4.531 9.103 1.00 0.00 O ATOM 1213 CB VAL A 115 0.288 1.742 9.112 1.00 0.00 C ATOM 1214 CG1 VAL A 115 -0.019 2.484 10.404 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.961 1.066 8.567 1.00 0.00 C ATOM 0 H VAL A 115 0.741 1.105 6.713 1.00 0.00 H new ATOM 0 HA VAL A 115 0.136 3.456 7.809 1.00 0.00 H new ATOM 0 HB VAL A 115 1.026 0.970 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.437 1.789 11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.899 2.917 10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.739 3.278 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.367 0.391 9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.705 1.823 8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.707 0.499 7.671 1.00 0.00 H new ATOM 1225 N GLU A 116 3.233 2.678 8.654 1.00 0.00 N ATOM 1226 CA GLU A 116 4.477 3.217 9.191 1.00 0.00 C ATOM 1227 C GLU A 116 4.976 4.382 8.340 1.00 0.00 C ATOM 1228 O GLU A 116 5.438 5.395 8.866 1.00 0.00 O ATOM 1229 CB GLU A 116 5.546 2.125 9.258 1.00 0.00 C ATOM 1230 CG GLU A 116 5.210 1.002 10.225 1.00 0.00 C ATOM 1231 CD GLU A 116 5.497 1.370 11.668 1.00 0.00 C ATOM 1232 OE1 GLU A 116 4.726 2.167 12.242 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.492 0.859 12.222 1.00 0.00 O ATOM 0 H GLU A 116 3.308 1.729 8.286 1.00 0.00 H new ATOM 0 HA GLU A 116 4.280 3.583 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.687 1.705 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.494 2.575 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.156 0.742 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.784 0.114 9.959 1.00 0.00 H new ATOM 1240 N SER A 117 4.880 4.230 7.024 1.00 0.00 N ATOM 1241 CA SER A 117 5.326 5.266 6.099 1.00 0.00 C ATOM 1242 C SER A 117 4.678 6.606 6.433 1.00 0.00 C ATOM 1243 O SER A 117 5.357 7.630 6.523 1.00 0.00 O ATOM 1244 CB SER A 117 4.995 4.871 4.659 1.00 0.00 C ATOM 1245 OG SER A 117 5.679 3.687 4.285 1.00 0.00 O ATOM 0 H SER A 117 4.497 3.399 6.573 1.00 0.00 H new ATOM 0 HA SER A 117 6.406 5.369 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.920 4.721 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.269 5.682 3.984 1.00 0.00 H new ATOM 0 HG SER A 117 5.288 2.921 4.755 1.00 0.00 H new ATOM 1251 N ILE A 118 3.362 6.591 6.615 1.00 0.00 N ATOM 1252 CA ILE A 118 2.623 7.804 6.940 1.00 0.00 C ATOM 1253 C ILE A 118 3.096 8.400 8.261 1.00 0.00 C ATOM 1254 O ILE A 118 3.519 9.555 8.318 1.00 0.00 O ATOM 1255 CB ILE A 118 1.109 7.535 7.025 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.544 7.230 5.636 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.393 8.726 7.644 1.00 0.00 C ATOM 1258 CD1 ILE A 118 0.609 5.765 5.265 1.00 0.00 C ATOM 0 H ILE A 118 2.786 5.752 6.543 1.00 0.00 H new ATOM 0 HA ILE A 118 2.814 8.514 6.135 1.00 0.00 H new ATOM 0 HB ILE A 118 0.945 6.666 7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -0.494 7.561 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.094 7.809 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.676 8.520 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.779 8.901 8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.562 9.611 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 118 0.191 5.623 4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.647 5.433 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 118 0.035 5.182 5.985 1.00 0.00 H new ATOM 1270 N LYS A 119 3.025 7.604 9.322 1.00 0.00 N ATOM 1271 CA LYS A 119 3.449 8.050 10.644 1.00 0.00 C ATOM 1272 C LYS A 119 4.844 8.666 10.589 1.00 0.00 C ATOM 1273 O LYS A 119 5.111 9.679 11.234 1.00 0.00 O ATOM 1274 CB LYS A 119 3.435 6.879 11.629 1.00 0.00 C ATOM 1275 CG LYS A 119 2.038 6.446 12.039 1.00 0.00 C ATOM 1276 CD LYS A 119 2.024 5.011 12.540 1.00 0.00 C ATOM 1277 CE LYS A 119 2.400 4.931 14.012 1.00 0.00 C ATOM 1278 NZ LYS A 119 3.875 4.964 14.210 1.00 0.00 N ATOM 0 H LYS A 119 2.677 6.646 9.292 1.00 0.00 H new ATOM 0 HA LYS A 119 2.748 8.812 10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.952 6.031 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.996 7.158 12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.665 7.109 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.362 6.542 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.033 4.583 12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.720 4.412 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.943 5.762 14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.996 4.014 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.123 4.427 15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.346 4.539 13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.189 5.950 14.317 1.00 0.00 H new ATOM 1292 N ALA A 120 5.728 8.047 9.813 1.00 0.00 N ATOM 1293 CA ALA A 120 7.094 8.536 9.672 1.00 0.00 C ATOM 1294 C ALA A 120 7.157 9.719 8.711 1.00 0.00 C ATOM 1295 O ALA A 120 8.089 10.520 8.757 1.00 0.00 O ATOM 1296 CB ALA A 120 8.008 7.417 9.195 1.00 0.00 C ATOM 0 H ALA A 120 5.523 7.207 9.273 1.00 0.00 H new ATOM 0 HA ALA A 120 7.435 8.877 10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.025 7.796 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.995 6.603 9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.660 7.050 8.230 1.00 0.00 H new ATOM 1302 N GLY A 121 6.157 9.821 7.840 1.00 0.00 N ATOM 1303 CA GLY A 121 6.119 10.909 6.880 1.00 0.00 C ATOM 1304 C GLY A 121 6.954 10.623 5.647 1.00 0.00 C ATOM 1305 O GLY A 121 7.113 11.487 4.783 1.00 0.00 O ATOM 0 H GLY A 121 5.374 9.170 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.086 11.091 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.479 11.822 7.355 1.00 0.00 H new ATOM 1309 N ARG A 122 7.489 9.410 5.565 1.00 0.00 N ATOM 1310 CA ARG A 122 8.315 9.014 4.430 1.00 0.00 C ATOM 1311 C ARG A 122 8.099 7.543 4.087 1.00 0.00 C ATOM 1312 O ARG A 122 7.693 6.750 4.937 1.00 0.00 O ATOM 1313 CB ARG A 122 9.793 9.266 4.735 1.00 0.00 C ATOM 1314 CG ARG A 122 10.275 8.593 6.009 1.00 0.00 C ATOM 1315 CD ARG A 122 11.644 9.107 6.427 1.00 0.00 C ATOM 1316 NE ARG A 122 12.198 8.344 7.542 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.498 8.265 7.804 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.372 8.898 7.035 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.925 7.550 8.837 1.00 0.00 N ATOM 0 H ARG A 122 7.366 8.684 6.271 1.00 0.00 H new ATOM 0 HA ARG A 122 8.020 9.617 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.394 8.912 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 122 9.961 10.340 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.558 8.772 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.321 7.515 5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.326 9.055 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 122 11.566 10.157 6.709 1.00 0.00 H new ATOM 0 HE ARG A 122 11.552 7.845 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.047 9.448 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.370 8.836 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.255 7.061 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.923 7.490 9.038 1.00 0.00 H new ATOM 1333 N LEU A 123 8.371 7.187 2.837 1.00 0.00 N ATOM 1334 CA LEU A 123 8.206 5.811 2.380 1.00 0.00 C ATOM 1335 C LEU A 123 9.281 4.907 2.975 1.00 0.00 C ATOM 1336 O LEU A 123 10.451 5.284 3.052 1.00 0.00 O ATOM 1337 CB LEU A 123 8.260 5.750 0.853 1.00 0.00 C ATOM 1338 CG LEU A 123 7.575 4.546 0.205 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.094 4.526 0.549 1.00 0.00 C ATOM 1340 CD2 LEU A 123 7.774 4.568 -1.304 1.00 0.00 C ATOM 0 H LEU A 123 8.707 7.832 2.121 1.00 0.00 H new ATOM 0 HA LEU A 123 7.232 5.457 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.806 6.658 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.306 5.757 0.546 1.00 0.00 H new ATOM 0 HG LEU A 123 8.031 3.637 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.623 3.662 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.972 4.462 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 123 5.623 5.439 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.280 3.704 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.345 5.482 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.840 4.533 -1.531 1.00 0.00 H new ATOM 1352 N LEU A 124 8.877 3.713 3.393 1.00 0.00 N ATOM 1353 CA LEU A 124 9.807 2.753 3.979 1.00 0.00 C ATOM 1354 C LEU A 124 10.041 1.576 3.038 1.00 0.00 C ATOM 1355 O LEU A 124 9.531 1.554 1.917 1.00 0.00 O ATOM 1356 CB LEU A 124 9.271 2.249 5.321 1.00 0.00 C ATOM 1357 CG LEU A 124 8.981 3.319 6.373 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.207 2.725 7.540 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.275 3.956 6.857 1.00 0.00 C ATOM 0 H LEU A 124 7.912 3.386 3.337 1.00 0.00 H new ATOM 0 HA LEU A 124 10.759 3.259 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.353 1.692 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.993 1.546 5.737 1.00 0.00 H new ATOM 0 HG LEU A 124 8.367 4.095 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.010 3.502 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.262 2.318 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.794 1.929 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.049 4.715 7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.914 3.191 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 124 10.790 4.419 6.015 1.00 0.00 H new ATOM 1371 N SER A 125 10.813 0.599 3.501 1.00 0.00 N ATOM 1372 CA SER A 125 11.116 -0.581 2.699 1.00 0.00 C ATOM 1373 C SER A 125 10.166 -1.726 3.037 1.00 0.00 C ATOM 1374 O SER A 125 9.708 -1.853 4.173 1.00 0.00 O ATOM 1375 CB SER A 125 12.564 -1.020 2.926 1.00 0.00 C ATOM 1376 OG SER A 125 12.887 -1.019 4.306 1.00 0.00 O ATOM 0 H SER A 125 11.240 0.601 4.427 1.00 0.00 H new ATOM 0 HA SER A 125 10.984 -0.320 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.713 -2.019 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.238 -0.351 2.391 1.00 0.00 H new ATOM 0 HG SER A 125 13.817 -1.305 4.425 1.00 0.00 H new ATOM 1382 N TYR A 126 9.875 -2.558 2.043 1.00 0.00 N ATOM 1383 CA TYR A 126 8.978 -3.691 2.233 1.00 0.00 C ATOM 1384 C TYR A 126 9.764 -4.962 2.544 1.00 0.00 C ATOM 1385 O TYR A 126 9.201 -5.956 3.003 1.00 0.00 O ATOM 1386 CB TYR A 126 8.118 -3.903 0.985 1.00 0.00 C ATOM 1387 CG TYR A 126 8.918 -3.972 -0.296 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.558 -5.145 -0.676 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.033 -2.864 -1.127 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.290 -5.212 -1.846 1.00 0.00 C ATOM 1391 CE2 TYR A 126 9.761 -2.923 -2.299 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.388 -4.099 -2.654 1.00 0.00 C ATOM 1393 OH TYR A 126 11.116 -4.162 -3.820 1.00 0.00 O ATOM 0 H TYR A 126 10.247 -2.469 1.098 1.00 0.00 H new ATOM 0 HA TYR A 126 8.329 -3.470 3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.549 -4.826 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.396 -3.090 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.482 -6.019 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 126 8.545 -1.941 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.783 -6.131 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 126 9.839 -2.053 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 126 11.084 -3.294 -4.273 1.00 0.00 H new ATOM 1403 N ILE A 127 11.067 -4.920 2.290 1.00 0.00 N ATOM 1404 CA ILE A 127 11.932 -6.066 2.545 1.00 0.00 C ATOM 1405 C ILE A 127 11.488 -6.823 3.792 1.00 0.00 C ATOM 1406 O ILE A 127 11.185 -8.016 3.750 1.00 0.00 O ATOM 1407 CB ILE A 127 13.401 -5.637 2.714 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.117 -5.648 1.362 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.109 -6.551 3.702 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.173 -7.016 0.719 1.00 0.00 C ATOM 0 H ILE A 127 11.547 -4.105 1.908 1.00 0.00 H new ATOM 0 HA ILE A 127 11.852 -6.721 1.677 1.00 0.00 H new ATOM 0 HB ILE A 127 13.425 -4.621 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.611 -4.958 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.133 -5.276 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.147 -6.235 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.610 -6.497 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.079 -7.577 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.694 -6.948 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.705 -7.705 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.160 -7.382 0.554 1.00 0.00 H new ATOM 1422 N PRO A 128 11.446 -6.115 4.930 1.00 0.00 N ATOM 1423 CA PRO A 128 11.038 -6.699 6.211 1.00 0.00 C ATOM 1424 C PRO A 128 9.550 -7.032 6.249 1.00 0.00 C ATOM 1425 O PRO A 128 9.142 -8.025 6.852 1.00 0.00 O ATOM 1426 CB PRO A 128 11.365 -5.598 7.223 1.00 0.00 C ATOM 1427 CG PRO A 128 11.318 -4.334 6.436 1.00 0.00 C ATOM 1428 CD PRO A 128 11.793 -4.689 5.054 1.00 0.00 C ATOM 0 HA PRO A 128 11.546 -7.643 6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.643 -5.583 8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.348 -5.750 7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.307 -3.929 6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 128 11.955 -3.571 6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.298 -4.087 4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 128 12.865 -4.525 4.943 1.00 0.00 H new ATOM 1436 N TYR A 129 8.745 -6.198 5.601 1.00 0.00 N ATOM 1437 CA TYR A 129 7.302 -6.403 5.562 1.00 0.00 C ATOM 1438 C TYR A 129 6.904 -7.238 4.348 1.00 0.00 C ATOM 1439 O TYR A 129 5.732 -7.289 3.976 1.00 0.00 O ATOM 1440 CB TYR A 129 6.575 -5.058 5.531 1.00 0.00 C ATOM 1441 CG TYR A 129 6.811 -4.214 6.763 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.087 -4.433 7.929 1.00 0.00 C ATOM 1443 CD2 TYR A 129 7.760 -3.199 6.762 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.299 -3.663 9.056 1.00 0.00 C ATOM 1445 CE2 TYR A 129 7.979 -2.425 7.886 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.246 -2.661 9.030 1.00 0.00 C ATOM 1447 OH TYR A 129 7.461 -1.894 10.152 1.00 0.00 O ATOM 0 H TYR A 129 9.067 -5.373 5.095 1.00 0.00 H new ATOM 0 HA TYR A 129 7.012 -6.943 6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 129 6.897 -4.500 4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.505 -5.235 5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.346 -5.218 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.336 -3.012 5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.726 -3.845 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.720 -1.640 7.868 1.00 0.00 H new ATOM 0 HH TYR A 129 8.161 -1.234 9.968 1.00 0.00 H new ATOM 1457 N GLN A 130 7.887 -7.890 3.737 1.00 0.00 N ATOM 1458 CA GLN A 130 7.640 -8.722 2.566 1.00 0.00 C ATOM 1459 C GLN A 130 6.960 -10.029 2.960 1.00 0.00 C ATOM 1460 O GLN A 130 7.233 -10.586 4.025 1.00 0.00 O ATOM 1461 CB GLN A 130 8.952 -9.015 1.836 1.00 0.00 C ATOM 1462 CG GLN A 130 8.786 -9.197 0.336 1.00 0.00 C ATOM 1463 CD GLN A 130 10.113 -9.280 -0.392 1.00 0.00 C ATOM 1464 OE1 GLN A 130 11.124 -9.819 0.279 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 10.228 -8.865 -1.546 1.00 0.00 N flip ATOM 0 H GLN A 130 8.862 -7.858 4.034 1.00 0.00 H new ATOM 0 HA GLN A 130 6.975 -8.175 1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.650 -8.198 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.398 -9.917 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 130 8.214 -10.105 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.207 -8.365 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 130 9.424 -8.458 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.127 -8.928 -2.024 1.00 0.00 H new ATOM 1474 N LEU A 131 6.075 -10.514 2.097 1.00 0.00 N ATOM 1475 CA LEU A 131 5.356 -11.756 2.355 1.00 0.00 C ATOM 1476 C LEU A 131 5.532 -12.738 1.201 1.00 0.00 C ATOM 1477 O LEU A 131 5.516 -12.347 0.033 1.00 0.00 O ATOM 1478 CB LEU A 131 3.869 -11.472 2.575 1.00 0.00 C ATOM 1479 CG LEU A 131 3.476 -11.001 3.976 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.022 -10.554 4.000 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.713 -12.105 4.995 1.00 0.00 C ATOM 0 H LEU A 131 5.838 -10.066 1.212 1.00 0.00 H new ATOM 0 HA LEU A 131 5.771 -12.206 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.554 -10.715 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.309 -12.379 2.348 1.00 0.00 H new ATOM 0 HG LEU A 131 4.101 -10.149 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.760 -10.222 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.883 -9.732 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.380 -11.387 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.428 -11.752 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.113 -12.977 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.768 -12.378 4.997 1.00 0.00 H new ATOM 1493 N TYR A 132 5.698 -14.012 1.535 1.00 0.00 N ATOM 1494 CA TYR A 132 5.877 -15.050 0.526 1.00 0.00 C ATOM 1495 C TYR A 132 6.719 -14.538 -0.638 1.00 0.00 C ATOM 1496 O TYR A 132 6.318 -14.631 -1.799 1.00 0.00 O ATOM 1497 CB TYR A 132 4.519 -15.533 0.015 1.00 0.00 C ATOM 1498 CG TYR A 132 3.508 -15.773 1.113 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.662 -16.826 2.007 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.400 -14.949 1.257 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.741 -17.050 3.012 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.475 -15.164 2.260 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.649 -16.216 3.135 1.00 0.00 C ATOM 1504 OH TYR A 132 0.729 -16.435 4.135 1.00 0.00 O ATOM 0 H TYR A 132 5.712 -14.352 2.497 1.00 0.00 H new ATOM 0 HA TYR A 132 6.401 -15.886 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.119 -14.795 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.659 -16.457 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.516 -17.480 1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.259 -14.125 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.875 -17.874 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.620 -14.512 2.359 1.00 0.00 H new ATOM 0 HH TYR A 132 0.885 -15.802 4.867 1.00 0.00 H new