USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=23 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 107 LYS NZ :NH3+ -158:sc= 0.0919 (180deg=0) USER MOD Set 1.2: A 126 TYR OH : rot 180:sc= 0.0891 USER MOD Set 2.1: A 88 THR OG1 : rot 99:sc= 0.9 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.0334 K(o=0.87,f=-6.7!) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -3.08! C(o=-0.85!,f=-6.2!) USER MOD Set 3.2: A 87 THR OG1 : rot -39:sc= 2.23 USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.196 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 57 ASN : amide:sc= -0.816 K(o=-0.82,f=-6.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 160:sc= -0.553 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 147:sc= -1.34 (180deg=-4.46!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.271 K(o=-0.27,f=-1) USER MOD Single : A 77 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.9!) USER MOD Single : A 78 TYR OH : rot 120:sc= -1.18 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 10:sc= -0.565 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -130:sc= -1.12 USER MOD Single : A 94 ASN : amide:sc= -0.323 K(o=-0.32,f=-1.3) USER MOD Single : A 97 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.14) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 89:sc= 1.4 USER MOD Single : A 119 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.2) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 132 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.146 13.103 -0.901 1.00 0.00 N ATOM 103 CA THR A 47 3.978 12.280 -2.092 1.00 0.00 C ATOM 104 C THR A 47 5.002 11.152 -2.130 1.00 0.00 C ATOM 105 O THR A 47 5.758 11.020 -3.094 1.00 0.00 O ATOM 106 CB THR A 47 4.107 13.119 -3.377 1.00 0.00 C ATOM 107 OG1 THR A 47 5.281 13.936 -3.313 1.00 0.00 O ATOM 108 CG2 THR A 47 2.881 13.999 -3.574 1.00 0.00 C ATOM 0 HA THR A 47 2.975 11.855 -2.044 1.00 0.00 H new ATOM 0 HB THR A 47 4.185 12.437 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.413 14.248 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.995 14.582 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.992 13.373 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.777 14.673 -2.724 1.00 0.00 H new ATOM 116 N ILE A 48 5.022 10.341 -1.078 1.00 0.00 N ATOM 117 CA ILE A 48 5.952 9.222 -0.994 1.00 0.00 C ATOM 118 C ILE A 48 5.424 8.009 -1.750 1.00 0.00 C ATOM 119 O ILE A 48 6.194 7.226 -2.307 1.00 0.00 O ATOM 120 CB ILE A 48 6.222 8.824 0.469 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.903 8.633 1.220 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.081 9.875 1.155 1.00 0.00 C ATOM 123 CD1 ILE A 48 5.074 8.039 2.601 1.00 0.00 C ATOM 0 H ILE A 48 4.405 10.438 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 48 6.885 9.553 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 48 6.764 7.878 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.401 9.597 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.251 7.986 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.263 9.579 2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.032 9.966 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.564 10.835 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.098 7.932 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.547 7.060 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.700 8.696 3.205 1.00 0.00 H new ATOM 135 N PHE A 49 4.103 7.859 -1.768 1.00 0.00 N ATOM 136 CA PHE A 49 3.470 6.740 -2.458 1.00 0.00 C ATOM 137 C PHE A 49 2.953 7.169 -3.828 1.00 0.00 C ATOM 138 O PHE A 49 1.979 6.614 -4.337 1.00 0.00 O ATOM 139 CB PHE A 49 2.320 6.181 -1.618 1.00 0.00 C ATOM 140 CG PHE A 49 2.771 5.524 -0.345 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.389 4.285 -0.371 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.577 6.147 0.878 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.806 3.678 0.799 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.992 5.545 2.050 1.00 0.00 C ATOM 145 CZ PHE A 49 3.606 4.308 2.011 1.00 0.00 C ATOM 0 H PHE A 49 3.451 8.498 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 49 4.219 5.961 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.631 6.990 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.764 5.457 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.547 3.787 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.096 7.113 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.288 2.712 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.837 6.041 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.929 3.835 2.927 1.00 0.00 H new ATOM 155 N SER A 50 3.613 8.160 -4.420 1.00 0.00 N ATOM 156 CA SER A 50 3.218 8.666 -5.729 1.00 0.00 C ATOM 157 C SER A 50 3.514 7.641 -6.820 1.00 0.00 C ATOM 158 O SER A 50 4.672 7.364 -7.129 1.00 0.00 O ATOM 159 CB SER A 50 3.947 9.976 -6.033 1.00 0.00 C ATOM 160 OG SER A 50 3.195 10.784 -6.922 1.00 0.00 O ATOM 0 H SER A 50 4.423 8.628 -4.014 1.00 0.00 H new ATOM 0 HA SER A 50 2.144 8.851 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.126 10.520 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.922 9.760 -6.469 1.00 0.00 H new ATOM 0 HG SER A 50 3.682 11.616 -7.099 1.00 0.00 H new ATOM 166 N GLY A 51 2.456 7.081 -7.399 1.00 0.00 N ATOM 167 CA GLY A 51 2.622 6.092 -8.448 1.00 0.00 C ATOM 168 C GLY A 51 2.492 4.673 -7.934 1.00 0.00 C ATOM 169 O GLY A 51 2.238 3.746 -8.704 1.00 0.00 O ATOM 0 H GLY A 51 1.488 7.295 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.877 6.263 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.601 6.219 -8.911 1.00 0.00 H new ATOM 173 N VAL A 52 2.668 4.500 -6.627 1.00 0.00 N ATOM 174 CA VAL A 52 2.569 3.183 -6.010 1.00 0.00 C ATOM 175 C VAL A 52 1.114 2.793 -5.776 1.00 0.00 C ATOM 176 O VAL A 52 0.427 3.389 -4.948 1.00 0.00 O ATOM 177 CB VAL A 52 3.325 3.133 -4.669 1.00 0.00 C ATOM 178 CG1 VAL A 52 3.181 1.763 -4.025 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.791 3.486 -4.871 1.00 0.00 C ATOM 0 H VAL A 52 2.880 5.256 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 52 3.025 2.475 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 52 2.887 3.871 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.722 1.747 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.126 1.555 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.591 1.003 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.310 3.446 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.245 2.774 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.870 4.492 -5.284 1.00 0.00 H new ATOM 189 N ALA A 53 0.651 1.787 -6.512 1.00 0.00 N ATOM 190 CA ALA A 53 -0.722 1.316 -6.382 1.00 0.00 C ATOM 191 C ALA A 53 -0.794 0.070 -5.506 1.00 0.00 C ATOM 192 O ALA A 53 -0.031 -0.878 -5.694 1.00 0.00 O ATOM 193 CB ALA A 53 -1.314 1.032 -7.755 1.00 0.00 C ATOM 0 H ALA A 53 1.206 1.283 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.306 2.101 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.340 0.681 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.306 1.945 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.721 0.267 -8.256 1.00 0.00 H new ATOM 199 N ILE A 54 -1.715 0.079 -4.548 1.00 0.00 N ATOM 200 CA ILE A 54 -1.886 -1.051 -3.643 1.00 0.00 C ATOM 201 C ILE A 54 -3.254 -1.700 -3.827 1.00 0.00 C ATOM 202 O ILE A 54 -4.150 -1.121 -4.441 1.00 0.00 O ATOM 203 CB ILE A 54 -1.727 -0.623 -2.172 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.832 0.362 -1.782 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.355 -0.005 -1.945 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.001 0.520 -0.288 1.00 0.00 C ATOM 0 H ILE A 54 -2.354 0.856 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.108 -1.773 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.815 -1.507 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.611 1.336 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.775 0.026 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.258 0.292 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.417 -0.735 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.240 0.871 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.801 1.232 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.254 -0.444 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.071 0.886 0.147 1.00 0.00 H new ATOM 218 N TYR A 55 -3.408 -2.905 -3.289 1.00 0.00 N ATOM 219 CA TYR A 55 -4.666 -3.634 -3.394 1.00 0.00 C ATOM 220 C TYR A 55 -4.844 -4.585 -2.214 1.00 0.00 C ATOM 221 O TYR A 55 -4.173 -5.613 -2.123 1.00 0.00 O ATOM 222 CB TYR A 55 -4.718 -4.416 -4.707 1.00 0.00 C ATOM 223 CG TYR A 55 -5.672 -5.589 -4.675 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.005 -5.436 -5.035 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.239 -6.851 -4.285 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.880 -6.505 -5.007 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.107 -7.925 -4.255 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.426 -7.747 -4.617 1.00 0.00 C ATOM 229 OH TYR A 55 -8.294 -8.815 -4.587 1.00 0.00 O ATOM 0 H TYR A 55 -2.677 -3.397 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.480 -2.909 -3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.012 -3.741 -5.511 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.718 -4.778 -4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.364 -4.465 -5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.207 -6.994 -4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.914 -6.368 -5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.755 -8.899 -3.950 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.815 -9.617 -4.291 1.00 0.00 H new ATOM 239 N VAL A 56 -5.756 -4.234 -1.312 1.00 0.00 N ATOM 240 CA VAL A 56 -6.025 -5.057 -0.139 1.00 0.00 C ATOM 241 C VAL A 56 -6.795 -6.318 -0.516 1.00 0.00 C ATOM 242 O VAL A 56 -7.776 -6.260 -1.255 1.00 0.00 O ATOM 243 CB VAL A 56 -6.828 -4.277 0.920 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.191 -5.182 2.088 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.041 -3.066 1.399 1.00 0.00 C ATOM 0 H VAL A 56 -6.320 -3.386 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.058 -5.337 0.280 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.753 -3.924 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.758 -4.614 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.795 -6.015 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.280 -5.566 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.623 -2.526 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.100 -3.395 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.836 -2.408 0.555 1.00 0.00 H new ATOM 255 N ASN A 57 -6.341 -7.457 -0.003 1.00 0.00 N ATOM 256 CA ASN A 57 -6.987 -8.733 -0.286 1.00 0.00 C ATOM 257 C ASN A 57 -7.432 -9.416 1.004 1.00 0.00 C ATOM 258 O ASN A 57 -6.607 -9.812 1.826 1.00 0.00 O ATOM 259 CB ASN A 57 -6.035 -9.649 -1.058 1.00 0.00 C ATOM 260 CG ASN A 57 -6.689 -10.958 -1.457 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.752 -11.315 -0.947 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.056 -11.681 -2.374 1.00 0.00 N ATOM 0 H ASN A 57 -5.529 -7.522 0.610 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.869 -8.538 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.685 -9.134 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.158 -9.856 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.449 -12.571 -2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.177 -11.347 -2.770 1.00 0.00 H new ATOM 269 N GLY A 58 -8.744 -9.550 1.174 1.00 0.00 N ATOM 270 CA GLY A 58 -9.277 -10.185 2.365 1.00 0.00 C ATOM 271 C GLY A 58 -9.355 -9.234 3.543 1.00 0.00 C ATOM 272 O GLY A 58 -9.889 -8.132 3.426 1.00 0.00 O ATOM 0 H GLY A 58 -9.447 -9.230 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.272 -10.575 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.651 -11.037 2.630 1.00 0.00 H new ATOM 276 N TYR A 59 -8.822 -9.662 4.682 1.00 0.00 N ATOM 277 CA TYR A 59 -8.838 -8.843 5.888 1.00 0.00 C ATOM 278 C TYR A 59 -7.443 -8.309 6.203 1.00 0.00 C ATOM 279 O TYR A 59 -6.462 -9.053 6.186 1.00 0.00 O ATOM 280 CB TYR A 59 -9.365 -9.652 7.074 1.00 0.00 C ATOM 281 CG TYR A 59 -9.066 -9.025 8.417 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.810 -9.148 8.999 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.039 -8.311 9.104 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.532 -8.577 10.226 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.770 -7.735 10.331 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.515 -7.872 10.887 1.00 0.00 C ATOM 287 OH TYR A 59 -8.244 -7.301 12.110 1.00 0.00 O ATOM 0 H TYR A 59 -8.374 -10.571 4.795 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.501 -7.996 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.443 -9.772 6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.929 -10.651 7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.038 -9.699 8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.023 -8.204 8.672 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.551 -8.682 10.665 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.537 -7.181 10.851 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.043 -6.840 12.440 1.00 0.00 H new ATOM 297 N THR A 60 -7.363 -7.014 6.490 1.00 0.00 N ATOM 298 CA THR A 60 -6.090 -6.379 6.808 1.00 0.00 C ATOM 299 C THR A 60 -6.254 -5.340 7.911 1.00 0.00 C ATOM 300 O THR A 60 -7.373 -4.964 8.261 1.00 0.00 O ATOM 301 CB THR A 60 -5.475 -5.702 5.568 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.464 -4.913 4.899 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.913 -6.740 4.608 1.00 0.00 C ATOM 0 H THR A 60 -8.165 -6.384 6.509 1.00 0.00 H new ATOM 0 HA THR A 60 -5.421 -7.168 7.152 1.00 0.00 H new ATOM 0 HB THR A 60 -4.661 -5.058 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.022 -4.250 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.484 -6.239 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.139 -7.320 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.712 -7.406 4.284 1.00 0.00 H new ATOM 311 N ASP A 61 -5.134 -4.878 8.454 1.00 0.00 N ATOM 312 CA ASP A 61 -5.153 -3.880 9.517 1.00 0.00 C ATOM 313 C ASP A 61 -4.137 -2.776 9.244 1.00 0.00 C ATOM 314 O ASP A 61 -2.933 -3.015 9.154 1.00 0.00 O ATOM 315 CB ASP A 61 -4.862 -4.536 10.868 1.00 0.00 C ATOM 316 CG ASP A 61 -4.826 -3.532 12.003 1.00 0.00 C ATOM 317 OD1 ASP A 61 -4.457 -2.366 11.753 1.00 0.00 O ATOM 318 OD2 ASP A 61 -5.167 -3.913 13.142 1.00 0.00 O ATOM 0 H ASP A 61 -4.200 -5.179 8.175 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.148 -3.435 9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.624 -5.287 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.906 -5.057 10.817 1.00 0.00 H new ATOM 323 N PRO A 62 -4.632 -1.536 9.109 1.00 0.00 N ATOM 324 CA PRO A 62 -6.064 -1.240 9.214 1.00 0.00 C ATOM 325 C PRO A 62 -6.858 -1.791 8.035 1.00 0.00 C ATOM 326 O PRO A 62 -6.290 -2.358 7.102 1.00 0.00 O ATOM 327 CB PRO A 62 -6.110 0.290 9.221 1.00 0.00 C ATOM 328 CG PRO A 62 -4.868 0.709 8.512 1.00 0.00 C ATOM 329 CD PRO A 62 -3.832 -0.329 8.842 1.00 0.00 C ATOM 0 HA PRO A 62 -6.511 -1.698 10.096 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.000 0.662 8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.136 0.681 10.238 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.034 0.767 7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.547 1.698 8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.138 -0.481 8.015 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.237 -0.041 9.709 1.00 0.00 H new ATOM 337 N SER A 63 -8.176 -1.622 8.084 1.00 0.00 N ATOM 338 CA SER A 63 -9.049 -2.106 7.022 1.00 0.00 C ATOM 339 C SER A 63 -8.653 -1.504 5.677 1.00 0.00 C ATOM 340 O SER A 63 -7.710 -0.718 5.590 1.00 0.00 O ATOM 341 CB SER A 63 -10.507 -1.766 7.336 1.00 0.00 C ATOM 342 OG SER A 63 -11.389 -2.695 6.730 1.00 0.00 O ATOM 0 H SER A 63 -8.662 -1.153 8.848 1.00 0.00 H new ATOM 0 HA SER A 63 -8.941 -3.189 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.659 -1.766 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.734 -0.760 6.982 1.00 0.00 H new ATOM 0 HG SER A 63 -12.315 -2.457 6.947 1.00 0.00 H new ATOM 348 N ALA A 64 -9.380 -1.880 4.630 1.00 0.00 N ATOM 349 CA ALA A 64 -9.107 -1.377 3.289 1.00 0.00 C ATOM 350 C ALA A 64 -9.588 0.062 3.134 1.00 0.00 C ATOM 351 O ALA A 64 -8.969 0.860 2.432 1.00 0.00 O ATOM 352 CB ALA A 64 -9.763 -2.270 2.247 1.00 0.00 C ATOM 0 H ALA A 64 -10.163 -2.532 4.685 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.028 -1.390 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.551 -1.883 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.368 -3.282 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.841 -2.286 2.408 1.00 0.00 H new ATOM 358 N GLU A 65 -10.696 0.385 3.795 1.00 0.00 N ATOM 359 CA GLU A 65 -11.259 1.728 3.728 1.00 0.00 C ATOM 360 C GLU A 65 -10.273 2.759 4.269 1.00 0.00 C ATOM 361 O GLU A 65 -10.107 3.834 3.694 1.00 0.00 O ATOM 362 CB GLU A 65 -12.569 1.795 4.516 1.00 0.00 C ATOM 363 CG GLU A 65 -13.269 3.140 4.420 1.00 0.00 C ATOM 364 CD GLU A 65 -14.693 3.095 4.939 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.425 2.149 4.583 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.075 4.007 5.702 1.00 0.00 O ATOM 0 H GLU A 65 -11.220 -0.264 4.382 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.461 1.959 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.242 1.018 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.364 1.575 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.704 3.881 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.275 3.469 3.381 1.00 0.00 H new ATOM 373 N GLU A 66 -9.624 2.423 5.379 1.00 0.00 N ATOM 374 CA GLU A 66 -8.656 3.321 5.998 1.00 0.00 C ATOM 375 C GLU A 66 -7.478 3.579 5.063 1.00 0.00 C ATOM 376 O GLU A 66 -7.106 4.727 4.818 1.00 0.00 O ATOM 377 CB GLU A 66 -8.154 2.733 7.318 1.00 0.00 C ATOM 378 CG GLU A 66 -9.043 3.058 8.507 1.00 0.00 C ATOM 379 CD GLU A 66 -8.891 4.493 8.973 1.00 0.00 C ATOM 380 OE1 GLU A 66 -7.794 5.062 8.797 1.00 0.00 O ATOM 381 OE2 GLU A 66 -9.872 5.048 9.513 1.00 0.00 O ATOM 0 H GLU A 66 -9.751 1.537 5.868 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.154 4.270 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.077 1.650 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.149 3.107 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.084 2.875 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.803 2.385 9.330 1.00 0.00 H new ATOM 388 N LEU A 67 -6.895 2.504 4.545 1.00 0.00 N ATOM 389 CA LEU A 67 -5.758 2.613 3.637 1.00 0.00 C ATOM 390 C LEU A 67 -6.153 3.337 2.354 1.00 0.00 C ATOM 391 O LEU A 67 -5.417 4.191 1.860 1.00 0.00 O ATOM 392 CB LEU A 67 -5.211 1.224 3.305 1.00 0.00 C ATOM 393 CG LEU A 67 -4.723 0.392 4.492 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.229 -0.968 4.024 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.626 1.130 5.245 1.00 0.00 C ATOM 0 H LEU A 67 -7.190 1.547 4.738 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.981 3.193 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.990 0.663 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.384 1.339 2.604 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.561 0.237 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.886 -1.546 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.042 -1.500 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.405 -0.834 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.291 0.523 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.787 1.317 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.014 2.080 5.614 1.00 0.00 H new ATOM 407 N ARG A 68 -7.321 2.991 1.821 1.00 0.00 N ATOM 408 CA ARG A 68 -7.814 3.608 0.596 1.00 0.00 C ATOM 409 C ARG A 68 -7.607 5.120 0.628 1.00 0.00 C ATOM 410 O ARG A 68 -7.030 5.698 -0.294 1.00 0.00 O ATOM 411 CB ARG A 68 -9.298 3.290 0.402 1.00 0.00 C ATOM 412 CG ARG A 68 -9.853 3.764 -0.932 1.00 0.00 C ATOM 413 CD ARG A 68 -11.349 3.513 -1.034 1.00 0.00 C ATOM 414 NE ARG A 68 -11.665 2.087 -1.038 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.834 1.595 -1.435 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.791 2.410 -1.858 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.046 0.286 -1.411 1.00 0.00 N ATOM 0 H ARG A 68 -7.943 2.287 2.219 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.249 3.198 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.444 2.213 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.868 3.752 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.653 4.829 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.340 3.249 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.855 3.994 -0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.732 3.972 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.950 1.433 -0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.631 3.417 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.687 2.030 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.312 -0.344 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.943 -0.091 -1.716 1.00 0.00 H new ATOM 431 N LYS A 69 -8.081 5.755 1.694 1.00 0.00 N ATOM 432 CA LYS A 69 -7.948 7.199 1.847 1.00 0.00 C ATOM 433 C LYS A 69 -6.485 7.596 2.011 1.00 0.00 C ATOM 434 O LYS A 69 -5.937 8.339 1.194 1.00 0.00 O ATOM 435 CB LYS A 69 -8.756 7.681 3.054 1.00 0.00 C ATOM 436 CG LYS A 69 -10.194 8.038 2.720 1.00 0.00 C ATOM 437 CD LYS A 69 -11.115 6.838 2.860 1.00 0.00 C ATOM 438 CE LYS A 69 -11.570 6.650 4.299 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.742 7.509 4.626 1.00 0.00 N ATOM 0 H LYS A 69 -8.561 5.292 2.466 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.336 7.672 0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.752 6.903 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.265 8.553 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.534 8.837 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.247 8.421 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.985 6.969 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.599 5.940 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.829 5.604 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.747 6.886 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.022 7.352 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.488 8.509 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.536 7.267 3.999 1.00 0.00 H new ATOM 453 N LEU A 70 -5.855 7.096 3.068 1.00 0.00 N ATOM 454 CA LEU A 70 -4.454 7.397 3.338 1.00 0.00 C ATOM 455 C LEU A 70 -3.664 7.524 2.038 1.00 0.00 C ATOM 456 O LEU A 70 -2.879 8.455 1.866 1.00 0.00 O ATOM 457 CB LEU A 70 -3.838 6.308 4.218 1.00 0.00 C ATOM 458 CG LEU A 70 -4.412 6.181 5.629 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.937 4.894 6.285 1.00 0.00 C ATOM 460 CD2 LEU A 70 -4.026 7.387 6.473 1.00 0.00 C ATOM 0 H LEU A 70 -6.293 6.480 3.753 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.408 8.350 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.956 5.350 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.767 6.496 4.298 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.499 6.147 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.356 4.821 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.265 4.041 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.849 4.897 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.443 7.279 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.940 7.453 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.418 8.294 6.012 1.00 0.00 H new ATOM 472 N MET A 71 -3.881 6.581 1.126 1.00 0.00 N ATOM 473 CA MET A 71 -3.192 6.590 -0.159 1.00 0.00 C ATOM 474 C MET A 71 -3.371 7.931 -0.863 1.00 0.00 C ATOM 475 O MET A 71 -2.410 8.677 -1.051 1.00 0.00 O ATOM 476 CB MET A 71 -3.714 5.460 -1.049 1.00 0.00 C ATOM 477 CG MET A 71 -3.068 4.114 -0.763 1.00 0.00 C ATOM 478 SD MET A 71 -1.308 4.091 -1.154 1.00 0.00 S ATOM 479 CE MET A 71 -0.599 4.418 0.458 1.00 0.00 C ATOM 0 H MET A 71 -4.528 5.802 1.253 1.00 0.00 H new ATOM 0 HA MET A 71 -2.129 6.436 0.026 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.792 5.372 -0.916 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.542 5.722 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.206 3.866 0.289 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.575 3.342 -1.342 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.352 3.893 0.550 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.435 5.489 0.573 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.282 4.070 1.233 1.00 0.00 H new ATOM 489 N MET A 72 -4.606 8.232 -1.249 1.00 0.00 N ATOM 490 CA MET A 72 -4.910 9.484 -1.932 1.00 0.00 C ATOM 491 C MET A 72 -4.336 10.673 -1.167 1.00 0.00 C ATOM 492 O MET A 72 -3.646 11.517 -1.740 1.00 0.00 O ATOM 493 CB MET A 72 -6.423 9.649 -2.092 1.00 0.00 C ATOM 494 CG MET A 72 -7.066 8.560 -2.935 1.00 0.00 C ATOM 495 SD MET A 72 -7.038 8.939 -4.698 1.00 0.00 S ATOM 496 CE MET A 72 -8.766 8.728 -5.117 1.00 0.00 C ATOM 0 H MET A 72 -5.413 7.626 -1.101 1.00 0.00 H new ATOM 0 HA MET A 72 -4.449 9.452 -2.919 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.886 9.655 -1.105 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.629 10.618 -2.546 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.547 7.617 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.098 8.419 -2.614 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.910 8.928 -6.179 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.072 7.705 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.370 9.422 -4.532 1.00 0.00 H new ATOM 506 N LEU A 73 -4.624 10.733 0.128 1.00 0.00 N ATOM 507 CA LEU A 73 -4.137 11.819 0.971 1.00 0.00 C ATOM 508 C LEU A 73 -2.671 12.121 0.676 1.00 0.00 C ATOM 509 O LEU A 73 -2.231 13.267 0.768 1.00 0.00 O ATOM 510 CB LEU A 73 -4.308 11.461 2.448 1.00 0.00 C ATOM 511 CG LEU A 73 -5.641 11.858 3.085 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.688 10.781 2.847 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.465 12.114 4.574 1.00 0.00 C ATOM 0 H LEU A 73 -5.193 10.042 0.618 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.725 12.710 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.183 10.384 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.504 11.934 3.011 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.985 12.780 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.629 11.081 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.835 10.647 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.351 9.843 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.423 12.395 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.097 11.209 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.748 12.921 4.722 1.00 0.00 H new ATOM 525 N HIS A 74 -1.919 11.084 0.320 1.00 0.00 N ATOM 526 CA HIS A 74 -0.502 11.239 0.008 1.00 0.00 C ATOM 527 C HIS A 74 -0.268 11.187 -1.499 1.00 0.00 C ATOM 528 O HIS A 74 0.773 11.618 -1.991 1.00 0.00 O ATOM 529 CB HIS A 74 0.316 10.149 0.701 1.00 0.00 C ATOM 530 CG HIS A 74 0.467 10.359 2.176 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.530 11.035 2.735 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.321 9.979 3.209 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.392 11.061 4.049 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.276 10.427 4.362 1.00 0.00 N ATOM 0 H HIS A 74 -2.267 10.128 0.240 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.179 12.214 0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.159 9.184 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.305 10.104 0.246 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.303 11.451 2.215 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.246 9.427 3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.075 11.522 4.748 1.00 0.00 H new ATOM 542 N GLY A 75 -1.245 10.654 -2.227 1.00 0.00 N ATOM 543 CA GLY A 75 -1.126 10.555 -3.669 1.00 0.00 C ATOM 544 C GLY A 75 -1.286 9.132 -4.168 1.00 0.00 C ATOM 545 O GLY A 75 -1.486 8.903 -5.360 1.00 0.00 O ATOM 0 H GLY A 75 -2.117 10.289 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.880 11.188 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.153 10.938 -3.977 1.00 0.00 H new ATOM 549 N GLY A 76 -1.195 8.172 -3.252 1.00 0.00 N ATOM 550 CA GLY A 76 -1.331 6.776 -3.625 1.00 0.00 C ATOM 551 C GLY A 76 -2.645 6.488 -4.323 1.00 0.00 C ATOM 552 O GLY A 76 -3.560 7.312 -4.301 1.00 0.00 O ATOM 0 H GLY A 76 -1.030 8.336 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.506 6.496 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.254 6.155 -2.732 1.00 0.00 H new ATOM 556 N GLN A 77 -2.739 5.317 -4.944 1.00 0.00 N ATOM 557 CA GLN A 77 -3.951 4.925 -5.654 1.00 0.00 C ATOM 558 C GLN A 77 -4.504 3.614 -5.103 1.00 0.00 C ATOM 559 O GLN A 77 -3.750 2.751 -4.653 1.00 0.00 O ATOM 560 CB GLN A 77 -3.669 4.784 -7.150 1.00 0.00 C ATOM 561 CG GLN A 77 -3.748 6.098 -7.911 1.00 0.00 C ATOM 562 CD GLN A 77 -5.173 6.499 -8.236 1.00 0.00 C ATOM 563 OE1 GLN A 77 -6.076 6.348 -7.413 1.00 0.00 O ATOM 564 NE2 GLN A 77 -5.383 7.013 -9.442 1.00 0.00 N ATOM 0 H GLN A 77 -1.991 4.624 -4.970 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.697 5.705 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.676 4.355 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.382 4.081 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.279 6.885 -7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.179 6.012 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.605 7.120 -10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.322 7.301 -9.717 1.00 0.00 H new ATOM 573 N TYR A 78 -5.824 3.473 -5.141 1.00 0.00 N ATOM 574 CA TYR A 78 -6.478 2.268 -4.643 1.00 0.00 C ATOM 575 C TYR A 78 -7.364 1.645 -5.718 1.00 0.00 C ATOM 576 O TYR A 78 -8.201 2.321 -6.318 1.00 0.00 O ATOM 577 CB TYR A 78 -7.313 2.592 -3.403 1.00 0.00 C ATOM 578 CG TYR A 78 -7.922 1.373 -2.748 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.022 0.735 -3.309 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.397 0.858 -1.569 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.582 -0.379 -2.714 1.00 0.00 C ATOM 582 CE2 TYR A 78 -7.950 -0.256 -0.968 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.043 -0.871 -1.543 1.00 0.00 C ATOM 584 OH TYR A 78 -9.597 -1.981 -0.948 1.00 0.00 O ATOM 0 H TYR A 78 -6.462 4.177 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.704 1.549 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.685 3.109 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.110 3.281 -3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.446 1.117 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.542 1.337 -1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.437 -0.862 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.529 -0.644 -0.052 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.925 -2.692 -0.893 1.00 0.00 H new ATOM 594 N HIS A 79 -7.174 0.351 -5.955 1.00 0.00 N ATOM 595 CA HIS A 79 -7.956 -0.365 -6.957 1.00 0.00 C ATOM 596 C HIS A 79 -8.871 -1.393 -6.298 1.00 0.00 C ATOM 597 O HIS A 79 -8.474 -2.080 -5.356 1.00 0.00 O ATOM 598 CB HIS A 79 -7.030 -1.057 -7.958 1.00 0.00 C ATOM 599 CG HIS A 79 -5.950 -0.166 -8.490 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.773 -0.646 -9.024 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.874 1.183 -8.569 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.020 0.369 -9.407 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.665 1.490 -9.142 1.00 0.00 N ATOM 0 H HIS A 79 -6.486 -0.223 -5.467 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.574 0.360 -7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.572 -1.922 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.624 -1.431 -8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.625 1.887 -8.242 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.042 0.295 -9.860 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.321 2.431 -9.332 1.00 0.00 H new ATOM 611 N VAL A 80 -10.098 -1.493 -6.799 1.00 0.00 N ATOM 612 CA VAL A 80 -11.070 -2.436 -6.260 1.00 0.00 C ATOM 613 C VAL A 80 -10.743 -3.864 -6.682 1.00 0.00 C ATOM 614 O VAL A 80 -11.074 -4.821 -5.983 1.00 0.00 O ATOM 615 CB VAL A 80 -12.500 -2.092 -6.717 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.503 -3.059 -6.107 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.844 -0.656 -6.355 1.00 0.00 C ATOM 0 H VAL A 80 -10.442 -0.932 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.016 -2.360 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.550 -2.191 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.508 -2.800 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.266 -4.075 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.455 -2.996 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.858 -0.430 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.777 -0.527 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.144 0.020 -6.845 1.00 0.00 H new ATOM 627 N TYR A 81 -10.089 -4.000 -7.831 1.00 0.00 N ATOM 628 CA TYR A 81 -9.718 -5.311 -8.349 1.00 0.00 C ATOM 629 C TYR A 81 -8.227 -5.370 -8.665 1.00 0.00 C ATOM 630 O TYR A 81 -7.710 -4.554 -9.429 1.00 0.00 O ATOM 631 CB TYR A 81 -10.530 -5.636 -9.603 1.00 0.00 C ATOM 632 CG TYR A 81 -12.023 -5.665 -9.367 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.759 -4.489 -9.298 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.699 -6.870 -9.215 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.123 -4.511 -9.082 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.063 -6.902 -9.000 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.771 -5.720 -8.933 1.00 0.00 C ATOM 638 OH TYR A 81 -16.130 -5.746 -8.719 1.00 0.00 O ATOM 0 H TYR A 81 -9.805 -3.218 -8.421 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.937 -6.052 -7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.307 -4.897 -10.372 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.213 -6.604 -9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.256 -3.541 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.148 -7.797 -9.266 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.679 -3.587 -9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.572 -7.847 -8.885 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.430 -6.675 -8.637 1.00 0.00 H new ATOM 648 N TYR A 82 -7.541 -6.341 -8.073 1.00 0.00 N ATOM 649 CA TYR A 82 -6.108 -6.506 -8.289 1.00 0.00 C ATOM 650 C TYR A 82 -5.788 -6.590 -9.778 1.00 0.00 C ATOM 651 O TYR A 82 -6.354 -7.411 -10.501 1.00 0.00 O ATOM 652 CB TYR A 82 -5.605 -7.763 -7.576 1.00 0.00 C ATOM 653 CG TYR A 82 -4.293 -8.282 -8.118 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.132 -7.524 -8.027 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.214 -9.531 -8.722 1.00 0.00 C ATOM 656 CE1 TYR A 82 -1.931 -7.994 -8.522 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.017 -10.010 -9.218 1.00 0.00 C ATOM 658 CZ TYR A 82 -1.878 -9.238 -9.116 1.00 0.00 C ATOM 659 OH TYR A 82 -0.684 -9.710 -9.610 1.00 0.00 O ATOM 0 H TYR A 82 -7.954 -7.026 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.601 -5.634 -7.875 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.490 -7.547 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.359 -8.546 -7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.169 -6.550 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.104 -10.138 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.038 -7.391 -8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.973 -10.984 -9.683 1.00 0.00 H new ATOM 0 HH TYR A 82 0.045 -9.122 -9.322 1.00 0.00 H new ATOM 669 N SER A 83 -4.876 -5.736 -10.230 1.00 0.00 N ATOM 670 CA SER A 83 -4.481 -5.710 -11.634 1.00 0.00 C ATOM 671 C SER A 83 -2.966 -5.813 -11.774 1.00 0.00 C ATOM 672 O SER A 83 -2.218 -5.163 -11.043 1.00 0.00 O ATOM 673 CB SER A 83 -4.981 -4.428 -12.302 1.00 0.00 C ATOM 674 OG SER A 83 -5.210 -4.630 -13.686 1.00 0.00 O ATOM 0 H SER A 83 -4.396 -5.052 -9.644 1.00 0.00 H new ATOM 0 HA SER A 83 -4.933 -6.569 -12.129 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.903 -4.100 -11.822 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.249 -3.633 -12.164 1.00 0.00 H new ATOM 0 HG SER A 83 -5.531 -3.796 -14.090 1.00 0.00 H new ATOM 680 N ARG A 84 -2.520 -6.635 -12.719 1.00 0.00 N ATOM 681 CA ARG A 84 -1.094 -6.825 -12.955 1.00 0.00 C ATOM 682 C ARG A 84 -0.527 -5.689 -13.802 1.00 0.00 C ATOM 683 O ARG A 84 0.688 -5.561 -13.953 1.00 0.00 O ATOM 684 CB ARG A 84 -0.844 -8.166 -13.647 1.00 0.00 C ATOM 685 CG ARG A 84 -1.505 -9.344 -12.950 1.00 0.00 C ATOM 686 CD ARG A 84 -1.107 -10.665 -13.590 1.00 0.00 C ATOM 687 NE ARG A 84 -1.650 -10.806 -14.938 1.00 0.00 N ATOM 688 CZ ARG A 84 -1.650 -11.949 -15.615 1.00 0.00 C ATOM 689 NH1 ARG A 84 -1.137 -13.044 -15.071 1.00 0.00 N ATOM 690 NH2 ARG A 84 -2.163 -11.997 -16.837 1.00 0.00 N ATOM 0 H ARG A 84 -3.126 -7.180 -13.333 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.588 -6.823 -11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.210 -8.110 -14.672 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.230 -8.343 -13.701 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.224 -9.349 -11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.588 -9.231 -12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.020 -10.736 -13.628 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.459 -11.489 -12.969 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.051 -9.981 -15.384 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.742 -13.010 -14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.138 -13.921 -15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.558 -11.156 -17.258 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.163 -12.875 -17.356 1.00 0.00 H new ATOM 704 N SER A 85 -1.415 -4.868 -14.353 1.00 0.00 N ATOM 705 CA SER A 85 -1.004 -3.746 -15.188 1.00 0.00 C ATOM 706 C SER A 85 -1.099 -2.432 -14.419 1.00 0.00 C ATOM 707 O SER A 85 -0.237 -1.563 -14.543 1.00 0.00 O ATOM 708 CB SER A 85 -1.870 -3.677 -16.447 1.00 0.00 C ATOM 709 OG SER A 85 -2.007 -4.955 -17.044 1.00 0.00 O ATOM 0 H SER A 85 -2.424 -4.959 -14.236 1.00 0.00 H new ATOM 0 HA SER A 85 0.035 -3.902 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.854 -3.283 -16.194 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.424 -2.985 -17.161 1.00 0.00 H new ATOM 0 HG SER A 85 -2.566 -4.883 -17.846 1.00 0.00 H new ATOM 715 N LYS A 86 -2.154 -2.295 -13.623 1.00 0.00 N ATOM 716 CA LYS A 86 -2.364 -1.089 -12.830 1.00 0.00 C ATOM 717 C LYS A 86 -1.747 -1.236 -11.443 1.00 0.00 C ATOM 718 O LYS A 86 -0.859 -0.472 -11.062 1.00 0.00 O ATOM 719 CB LYS A 86 -3.859 -0.789 -12.706 1.00 0.00 C ATOM 720 CG LYS A 86 -4.395 0.101 -13.815 1.00 0.00 C ATOM 721 CD LYS A 86 -5.598 0.905 -13.352 1.00 0.00 C ATOM 722 CE LYS A 86 -6.876 0.083 -13.414 1.00 0.00 C ATOM 723 NZ LYS A 86 -8.088 0.945 -13.484 1.00 0.00 N ATOM 0 H LYS A 86 -2.878 -3.005 -13.510 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.875 -0.259 -13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.411 -1.729 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.047 -0.310 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.610 0.779 -14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.674 -0.512 -14.672 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.435 1.250 -12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.705 1.793 -13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.845 -0.571 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.938 -0.559 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.938 0.347 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.132 1.551 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.042 1.540 -14.336 1.00 0.00 H new ATOM 737 N THR A 87 -2.223 -2.223 -10.690 1.00 0.00 N ATOM 738 CA THR A 87 -1.718 -2.470 -9.345 1.00 0.00 C ATOM 739 C THR A 87 -0.272 -2.951 -9.380 1.00 0.00 C ATOM 740 O THR A 87 0.101 -3.771 -10.219 1.00 0.00 O ATOM 741 CB THR A 87 -2.577 -3.513 -8.606 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.950 -3.380 -8.991 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.449 -3.349 -7.099 1.00 0.00 C ATOM 0 H THR A 87 -2.958 -2.864 -10.989 1.00 0.00 H new ATOM 0 HA THR A 87 -1.769 -1.522 -8.809 1.00 0.00 H new ATOM 0 HB THR A 87 -2.219 -4.505 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.173 -2.430 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.064 -4.096 -6.598 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.407 -3.481 -6.806 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.783 -2.352 -6.812 1.00 0.00 H new ATOM 751 N THR A 88 0.540 -2.436 -8.462 1.00 0.00 N ATOM 752 CA THR A 88 1.946 -2.812 -8.388 1.00 0.00 C ATOM 753 C THR A 88 2.172 -3.888 -7.332 1.00 0.00 C ATOM 754 O THR A 88 2.651 -4.981 -7.637 1.00 0.00 O ATOM 755 CB THR A 88 2.837 -1.598 -8.066 1.00 0.00 C ATOM 756 OG1 THR A 88 2.236 -0.809 -7.033 1.00 0.00 O ATOM 757 CG2 THR A 88 3.052 -0.741 -9.305 1.00 0.00 C ATOM 0 H THR A 88 0.248 -1.757 -7.759 1.00 0.00 H new ATOM 0 HA THR A 88 2.220 -3.204 -9.368 1.00 0.00 H new ATOM 0 HB THR A 88 3.805 -1.966 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.646 -1.031 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.684 0.110 -9.053 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.536 -1.336 -10.079 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.090 -0.383 -9.671 1.00 0.00 H new ATOM 765 N HIS A 89 1.825 -3.572 -6.088 1.00 0.00 N ATOM 766 CA HIS A 89 1.989 -4.514 -4.986 1.00 0.00 C ATOM 767 C HIS A 89 0.633 -4.973 -4.457 1.00 0.00 C ATOM 768 O HIS A 89 -0.386 -4.322 -4.687 1.00 0.00 O ATOM 769 CB HIS A 89 2.800 -3.875 -3.858 1.00 0.00 C ATOM 770 CG HIS A 89 4.026 -3.159 -4.334 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.981 -2.036 -5.133 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.339 -3.412 -4.117 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.212 -1.630 -5.388 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.054 -2.448 -4.783 1.00 0.00 N ATOM 0 H HIS A 89 1.429 -2.672 -5.818 1.00 0.00 H new ATOM 0 HA HIS A 89 2.526 -5.385 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.165 -3.172 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.093 -4.649 -3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.747 -4.221 -3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.484 -0.775 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.071 -2.375 -4.807 1.00 0.00 H new ATOM 782 N ILE A 90 0.630 -6.097 -3.750 1.00 0.00 N ATOM 783 CA ILE A 90 -0.600 -6.642 -3.188 1.00 0.00 C ATOM 784 C ILE A 90 -0.558 -6.638 -1.664 1.00 0.00 C ATOM 785 O ILE A 90 0.266 -7.319 -1.054 1.00 0.00 O ATOM 786 CB ILE A 90 -0.854 -8.080 -3.679 1.00 0.00 C ATOM 787 CG1 ILE A 90 -1.014 -8.102 -5.201 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.087 -8.660 -3.003 1.00 0.00 C ATOM 789 CD1 ILE A 90 -1.166 -9.494 -5.773 1.00 0.00 C ATOM 0 H ILE A 90 1.465 -6.648 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.413 -6.001 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 90 0.005 -8.696 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.886 -7.508 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.147 -7.624 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.254 -9.676 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.937 -8.675 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.955 -8.045 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.275 -9.433 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.283 -10.086 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.050 -9.968 -5.346 1.00 0.00 H new ATOM 801 N ILE A 91 -1.453 -5.867 -1.056 1.00 0.00 N ATOM 802 CA ILE A 91 -1.520 -5.776 0.398 1.00 0.00 C ATOM 803 C ILE A 91 -2.276 -6.961 0.988 1.00 0.00 C ATOM 804 O ILE A 91 -3.374 -7.294 0.544 1.00 0.00 O ATOM 805 CB ILE A 91 -2.201 -4.470 0.849 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.538 -3.265 0.179 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.144 -4.340 2.364 1.00 0.00 C ATOM 808 CD1 ILE A 91 -0.086 -3.085 0.561 1.00 0.00 C ATOM 0 H ILE A 91 -2.142 -5.297 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.493 -5.785 0.763 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.247 -4.499 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.610 -3.376 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.090 -2.363 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.629 -3.412 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.658 -5.185 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.104 -4.329 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.319 -2.212 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.008 -2.942 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.479 -3.971 0.271 1.00 0.00 H new ATOM 820 N ALA A 92 -1.680 -7.594 1.994 1.00 0.00 N ATOM 821 CA ALA A 92 -2.299 -8.740 2.648 1.00 0.00 C ATOM 822 C ALA A 92 -1.563 -9.101 3.934 1.00 0.00 C ATOM 823 O ALA A 92 -0.336 -9.015 4.006 1.00 0.00 O ATOM 824 CB ALA A 92 -2.331 -9.933 1.704 1.00 0.00 C ATOM 0 H ALA A 92 -0.770 -7.332 2.373 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.322 -8.469 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.796 -10.782 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.907 -9.678 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.313 -10.196 1.415 1.00 0.00 H new ATOM 830 N THR A 93 -2.319 -9.505 4.950 1.00 0.00 N ATOM 831 CA THR A 93 -1.739 -9.877 6.235 1.00 0.00 C ATOM 832 C THR A 93 -1.372 -11.356 6.264 1.00 0.00 C ATOM 833 O THR A 93 -0.263 -11.722 6.651 1.00 0.00 O ATOM 834 CB THR A 93 -2.706 -9.576 7.395 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.509 -8.433 7.081 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.940 -9.324 8.686 1.00 0.00 C ATOM 0 H THR A 93 -3.335 -9.583 4.908 1.00 0.00 H new ATOM 0 HA THR A 93 -0.836 -9.279 6.360 1.00 0.00 H new ATOM 0 HB THR A 93 -3.350 -10.444 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.484 -7.800 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.644 -9.114 9.491 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.353 -10.207 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.274 -8.471 8.554 1.00 0.00 H new ATOM 844 N ASN A 94 -2.311 -12.202 5.852 1.00 0.00 N ATOM 845 CA ASN A 94 -2.085 -13.643 5.832 1.00 0.00 C ATOM 846 C ASN A 94 -2.888 -14.304 4.716 1.00 0.00 C ATOM 847 O ASN A 94 -4.025 -13.917 4.441 1.00 0.00 O ATOM 848 CB ASN A 94 -2.462 -14.259 7.181 1.00 0.00 C ATOM 849 CG ASN A 94 -3.948 -14.539 7.293 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.449 -15.522 6.746 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.662 -13.674 8.004 1.00 0.00 N ATOM 0 H ASN A 94 -3.235 -11.915 5.528 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.025 -13.817 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.908 -15.188 7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.161 -13.584 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.667 -13.811 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.206 -12.873 8.440 1.00 0.00 H new ATOM 858 N LEU A 95 -2.291 -15.303 4.076 1.00 0.00 N ATOM 859 CA LEU A 95 -2.950 -16.019 2.990 1.00 0.00 C ATOM 860 C LEU A 95 -2.651 -17.513 3.062 1.00 0.00 C ATOM 861 O LEU A 95 -1.547 -17.934 3.409 1.00 0.00 O ATOM 862 CB LEU A 95 -2.501 -15.462 1.638 1.00 0.00 C ATOM 863 CG LEU A 95 -2.842 -13.996 1.369 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.972 -13.442 0.252 1.00 0.00 C ATOM 865 CD2 LEU A 95 -4.317 -13.847 1.024 1.00 0.00 C ATOM 0 H LEU A 95 -1.351 -15.636 4.291 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.026 -15.877 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.421 -15.583 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.949 -16.069 0.851 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.642 -13.423 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.229 -12.398 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.923 -13.514 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.140 -14.017 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.542 -12.797 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.543 -14.432 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.923 -14.204 1.856 1.00 0.00 H new ATOM 877 N PRO A 96 -3.656 -18.335 2.725 1.00 0.00 N ATOM 878 CA PRO A 96 -3.523 -19.795 2.740 1.00 0.00 C ATOM 879 C PRO A 96 -2.604 -20.306 1.636 1.00 0.00 C ATOM 880 O PRO A 96 -2.363 -19.615 0.647 1.00 0.00 O ATOM 881 CB PRO A 96 -4.956 -20.284 2.512 1.00 0.00 C ATOM 882 CG PRO A 96 -5.625 -19.169 1.786 1.00 0.00 C ATOM 883 CD PRO A 96 -4.998 -17.903 2.301 1.00 0.00 C ATOM 0 HA PRO A 96 -3.078 -20.154 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.972 -21.204 1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.456 -20.498 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.484 -19.264 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.700 -19.174 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.948 -17.136 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.566 -17.482 3.131 1.00 0.00 H new ATOM 891 N ASN A 97 -2.094 -21.521 1.811 1.00 0.00 N ATOM 892 CA ASN A 97 -1.201 -22.124 0.829 1.00 0.00 C ATOM 893 C ASN A 97 -1.774 -21.993 -0.579 1.00 0.00 C ATOM 894 O ASN A 97 -1.036 -21.799 -1.545 1.00 0.00 O ATOM 895 CB ASN A 97 -0.966 -23.599 1.160 1.00 0.00 C ATOM 896 CG ASN A 97 -2.249 -24.407 1.143 1.00 0.00 C ATOM 897 OD1 ASN A 97 -2.593 -25.025 0.135 1.00 0.00 O ATOM 898 ND2 ASN A 97 -2.964 -24.406 2.262 1.00 0.00 N ATOM 0 H ASN A 97 -2.284 -22.107 2.624 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.249 -21.594 0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.264 -24.022 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.503 -23.678 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.837 -24.932 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.640 -23.879 3.073 1.00 0.00 H new ATOM 905 N ALA A 98 -3.094 -22.100 -0.688 1.00 0.00 N ATOM 906 CA ALA A 98 -3.766 -21.990 -1.977 1.00 0.00 C ATOM 907 C ALA A 98 -3.489 -20.639 -2.628 1.00 0.00 C ATOM 908 O ALA A 98 -2.903 -20.567 -3.708 1.00 0.00 O ATOM 909 CB ALA A 98 -5.263 -22.201 -1.811 1.00 0.00 C ATOM 0 H ALA A 98 -3.720 -22.263 0.101 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.371 -22.767 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.752 -22.116 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.447 -23.193 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.664 -21.446 -1.135 1.00 0.00 H new ATOM 915 N LYS A 99 -3.914 -19.570 -1.963 1.00 0.00 N ATOM 916 CA LYS A 99 -3.711 -18.220 -2.476 1.00 0.00 C ATOM 917 C LYS A 99 -2.239 -17.971 -2.788 1.00 0.00 C ATOM 918 O LYS A 99 -1.890 -17.566 -3.898 1.00 0.00 O ATOM 919 CB LYS A 99 -4.210 -17.187 -1.463 1.00 0.00 C ATOM 920 CG LYS A 99 -5.698 -17.286 -1.175 1.00 0.00 C ATOM 921 CD LYS A 99 -6.519 -16.573 -2.236 1.00 0.00 C ATOM 922 CE LYS A 99 -6.976 -17.532 -3.325 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.310 -18.121 -3.021 1.00 0.00 N ATOM 0 H LYS A 99 -4.401 -19.612 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.282 -18.120 -3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.659 -17.310 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.987 -16.188 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.992 -18.335 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.910 -16.853 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.388 -16.106 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.926 -15.773 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.020 -17.005 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.243 -18.331 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.586 -18.769 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.262 -18.645 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.015 -17.361 -2.940 1.00 0.00 H new ATOM 937 N ILE A 100 -1.380 -18.218 -1.805 1.00 0.00 N ATOM 938 CA ILE A 100 0.054 -18.023 -1.976 1.00 0.00 C ATOM 939 C ILE A 100 0.549 -18.688 -3.257 1.00 0.00 C ATOM 940 O ILE A 100 1.250 -18.070 -4.059 1.00 0.00 O ATOM 941 CB ILE A 100 0.845 -18.585 -0.781 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.377 -17.931 0.521 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.337 -18.366 -0.983 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.637 -18.776 1.749 1.00 0.00 C ATOM 0 H ILE A 100 -1.653 -18.554 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 100 0.222 -16.948 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 100 0.661 -19.657 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.880 -16.971 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.691 -17.725 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.883 -18.769 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.659 -18.873 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.539 -17.299 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.280 -18.250 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.112 -19.726 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.707 -18.961 1.844 1.00 0.00 H new ATOM 956 N LYS A 101 0.180 -19.950 -3.443 1.00 0.00 N ATOM 957 CA LYS A 101 0.583 -20.699 -4.627 1.00 0.00 C ATOM 958 C LYS A 101 0.039 -20.048 -5.894 1.00 0.00 C ATOM 959 O LYS A 101 0.602 -20.210 -6.977 1.00 0.00 O ATOM 960 CB LYS A 101 0.091 -22.145 -4.533 1.00 0.00 C ATOM 961 CG LYS A 101 0.720 -23.070 -5.561 1.00 0.00 C ATOM 962 CD LYS A 101 -0.089 -24.345 -5.733 1.00 0.00 C ATOM 963 CE LYS A 101 0.211 -25.348 -4.630 1.00 0.00 C ATOM 964 NZ LYS A 101 -0.654 -26.556 -4.730 1.00 0.00 N ATOM 0 H LYS A 101 -0.398 -20.476 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 101 1.672 -20.694 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.303 -22.528 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.992 -22.160 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.795 -22.554 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.735 -23.321 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.152 -24.106 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.134 -24.791 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.258 -25.645 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.064 -24.875 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.419 -27.216 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.652 -26.275 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.495 -27.022 -5.646 1.00 0.00 H new ATOM 978 N GLU A 102 -1.057 -19.309 -5.751 1.00 0.00 N ATOM 979 CA GLU A 102 -1.675 -18.632 -6.886 1.00 0.00 C ATOM 980 C GLU A 102 -0.973 -17.310 -7.179 1.00 0.00 C ATOM 981 O GLU A 102 -0.919 -16.863 -8.325 1.00 0.00 O ATOM 982 CB GLU A 102 -3.160 -18.385 -6.613 1.00 0.00 C ATOM 983 CG GLU A 102 -3.810 -17.432 -7.603 1.00 0.00 C ATOM 984 CD GLU A 102 -3.785 -17.961 -9.024 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.692 -18.739 -9.384 1.00 0.00 O ATOM 986 OE2 GLU A 102 -2.857 -17.596 -9.776 1.00 0.00 O ATOM 0 H GLU A 102 -1.535 -19.164 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.576 -19.277 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.689 -19.338 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.274 -17.983 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.843 -17.252 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.296 -16.471 -7.568 1.00 0.00 H new ATOM 993 N LEU A 103 -0.436 -16.688 -6.135 1.00 0.00 N ATOM 994 CA LEU A 103 0.263 -15.415 -6.279 1.00 0.00 C ATOM 995 C LEU A 103 1.772 -15.629 -6.359 1.00 0.00 C ATOM 996 O LEU A 103 2.554 -14.748 -6.002 1.00 0.00 O ATOM 997 CB LEU A 103 -0.071 -14.492 -5.106 1.00 0.00 C ATOM 998 CG LEU A 103 -1.558 -14.272 -4.827 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.767 -13.772 -3.406 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.150 -13.293 -5.831 1.00 0.00 C ATOM 0 H LEU A 103 -0.471 -17.044 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.069 -14.949 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.390 -14.899 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.391 -13.522 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.073 -15.227 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.831 -13.621 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.381 -14.508 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.239 -12.828 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.209 -13.148 -5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.631 -12.337 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.034 -13.691 -6.839 1.00 0.00 H new ATOM 1012 N LYS A 104 2.173 -16.803 -6.833 1.00 0.00 N ATOM 1013 CA LYS A 104 3.588 -17.132 -6.965 1.00 0.00 C ATOM 1014 C LYS A 104 4.321 -16.069 -7.776 1.00 0.00 C ATOM 1015 O LYS A 104 3.932 -15.754 -8.900 1.00 0.00 O ATOM 1016 CB LYS A 104 3.754 -18.501 -7.630 1.00 0.00 C ATOM 1017 CG LYS A 104 5.092 -19.159 -7.339 1.00 0.00 C ATOM 1018 CD LYS A 104 5.105 -20.613 -7.781 1.00 0.00 C ATOM 1019 CE LYS A 104 6.495 -21.218 -7.665 1.00 0.00 C ATOM 1020 NZ LYS A 104 6.796 -21.654 -6.273 1.00 0.00 N ATOM 0 H LYS A 104 1.538 -17.543 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 104 4.023 -17.165 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.954 -19.159 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.641 -18.388 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.885 -18.615 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.303 -19.100 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.406 -21.186 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.761 -20.684 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.577 -22.071 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.237 -20.487 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.752 -22.061 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.743 -20.835 -5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.103 -22.371 -5.976 1.00 0.00 H new ATOM 1034 N GLY A 105 5.385 -15.519 -7.198 1.00 0.00 N ATOM 1035 CA GLY A 105 6.156 -14.498 -7.883 1.00 0.00 C ATOM 1036 C GLY A 105 5.750 -13.095 -7.475 1.00 0.00 C ATOM 1037 O GLY A 105 6.604 -12.248 -7.213 1.00 0.00 O ATOM 0 H GLY A 105 5.726 -15.762 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.215 -14.643 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.028 -14.612 -8.960 1.00 0.00 H new ATOM 1041 N GLU A 106 4.445 -12.849 -7.423 1.00 0.00 N ATOM 1042 CA GLU A 106 3.930 -11.538 -7.047 1.00 0.00 C ATOM 1043 C GLU A 106 4.622 -11.022 -5.789 1.00 0.00 C ATOM 1044 O GLU A 106 5.313 -11.768 -5.095 1.00 0.00 O ATOM 1045 CB GLU A 106 2.418 -11.605 -6.820 1.00 0.00 C ATOM 1046 CG GLU A 106 1.609 -11.599 -8.106 1.00 0.00 C ATOM 1047 CD GLU A 106 2.022 -10.488 -9.051 1.00 0.00 C ATOM 1048 OE1 GLU A 106 1.883 -9.306 -8.674 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.485 -10.801 -10.168 1.00 0.00 O ATOM 0 H GLU A 106 3.726 -13.540 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 106 4.137 -10.847 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.183 -12.508 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.113 -10.758 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.725 -12.560 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.552 -11.491 -7.865 1.00 0.00 H new ATOM 1056 N LYS A 107 4.432 -9.739 -5.500 1.00 0.00 N ATOM 1057 CA LYS A 107 5.036 -9.121 -4.326 1.00 0.00 C ATOM 1058 C LYS A 107 3.976 -8.787 -3.281 1.00 0.00 C ATOM 1059 O LYS A 107 3.255 -7.796 -3.407 1.00 0.00 O ATOM 1060 CB LYS A 107 5.792 -7.851 -4.724 1.00 0.00 C ATOM 1061 CG LYS A 107 6.893 -8.093 -5.741 1.00 0.00 C ATOM 1062 CD LYS A 107 7.921 -6.974 -5.728 1.00 0.00 C ATOM 1063 CE LYS A 107 9.270 -7.449 -6.247 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.180 -6.310 -6.548 1.00 0.00 N ATOM 0 H LYS A 107 3.864 -9.107 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 107 5.738 -9.833 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.084 -7.130 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.226 -7.402 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.385 -9.042 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.458 -8.177 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.566 -6.145 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.034 -6.594 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.735 -8.100 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.123 -8.045 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.909 -6.617 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.633 -5.528 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.634 -5.987 -5.670 1.00 0.00 H new ATOM 1078 N VAL A 108 3.887 -9.619 -2.248 1.00 0.00 N ATOM 1079 CA VAL A 108 2.917 -9.410 -1.180 1.00 0.00 C ATOM 1080 C VAL A 108 3.542 -8.661 -0.008 1.00 0.00 C ATOM 1081 O VAL A 108 4.486 -9.144 0.617 1.00 0.00 O ATOM 1082 CB VAL A 108 2.343 -10.747 -0.673 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.107 -10.509 0.180 1.00 0.00 C ATOM 1084 CG2 VAL A 108 2.026 -11.667 -1.842 1.00 0.00 C ATOM 0 H VAL A 108 4.475 -10.444 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 108 2.108 -8.812 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 108 3.095 -11.233 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.716 -11.465 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.370 -9.890 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.347 -10.001 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.622 -12.607 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.292 -11.190 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.937 -11.864 -2.407 1.00 0.00 H new ATOM 1094 N ILE A 109 3.008 -7.480 0.284 1.00 0.00 N ATOM 1095 CA ILE A 109 3.513 -6.665 1.382 1.00 0.00 C ATOM 1096 C ILE A 109 2.444 -6.458 2.449 1.00 0.00 C ATOM 1097 O ILE A 109 1.257 -6.347 2.141 1.00 0.00 O ATOM 1098 CB ILE A 109 3.999 -5.290 0.885 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.860 -5.452 -0.369 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.778 -4.577 1.980 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.040 -6.379 -0.177 1.00 0.00 C ATOM 0 H ILE A 109 2.226 -7.066 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 109 4.355 -7.205 1.815 1.00 0.00 H new ATOM 0 HB ILE A 109 3.130 -4.684 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.238 -5.832 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.225 -4.472 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.115 -3.607 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.136 -4.434 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.642 -5.178 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.605 -6.446 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.684 -5.990 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.682 -7.370 0.102 1.00 0.00 H new ATOM 1113 N ARG A 110 2.873 -6.405 3.706 1.00 0.00 N ATOM 1114 CA ARG A 110 1.953 -6.211 4.820 1.00 0.00 C ATOM 1115 C ARG A 110 1.438 -4.775 4.856 1.00 0.00 C ATOM 1116 O ARG A 110 2.076 -3.848 4.356 1.00 0.00 O ATOM 1117 CB ARG A 110 2.642 -6.550 6.144 1.00 0.00 C ATOM 1118 CG ARG A 110 2.791 -8.042 6.388 1.00 0.00 C ATOM 1119 CD ARG A 110 2.907 -8.355 7.871 1.00 0.00 C ATOM 1120 NE ARG A 110 3.689 -9.564 8.116 1.00 0.00 N ATOM 1121 CZ ARG A 110 3.645 -10.250 9.253 1.00 0.00 C ATOM 1122 NH1 ARG A 110 2.861 -9.848 10.244 1.00 0.00 N ATOM 1123 NH2 ARG A 110 4.386 -11.341 9.400 1.00 0.00 N ATOM 0 H ARG A 110 3.852 -6.494 3.978 1.00 0.00 H new ATOM 0 HA ARG A 110 1.104 -6.880 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.629 -6.088 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.072 -6.112 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.932 -8.568 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.675 -8.411 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.371 -7.513 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.910 -8.476 8.295 1.00 0.00 H new ATOM 0 HE ARG A 110 4.302 -9.900 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.290 -9.010 10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.829 -10.377 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.990 -11.654 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.352 -11.867 10.273 1.00 0.00 H new ATOM 1137 N PRO A 111 0.255 -4.585 5.459 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.372 -3.265 5.574 1.00 0.00 C ATOM 1139 C PRO A 111 0.377 -2.349 6.537 1.00 0.00 C ATOM 1140 O PRO A 111 0.014 -1.186 6.709 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.768 -3.582 6.115 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.612 -4.879 6.831 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.561 -5.644 6.077 1.00 0.00 C ATOM 0 HA PRO A 111 -0.379 -2.733 4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.119 -2.799 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.497 -3.660 5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.311 -4.719 7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.553 -5.428 6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.032 -6.272 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.002 -6.300 5.327 1.00 0.00 H new ATOM 1151 N GLU A 112 1.423 -2.882 7.160 1.00 0.00 N ATOM 1152 CA GLU A 112 2.222 -2.111 8.105 1.00 0.00 C ATOM 1153 C GLU A 112 3.307 -1.318 7.381 1.00 0.00 C ATOM 1154 O GLU A 112 3.670 -0.219 7.798 1.00 0.00 O ATOM 1155 CB GLU A 112 2.860 -3.037 9.143 1.00 0.00 C ATOM 1156 CG GLU A 112 1.942 -3.368 10.308 1.00 0.00 C ATOM 1157 CD GLU A 112 2.241 -4.723 10.920 1.00 0.00 C ATOM 1158 OE1 GLU A 112 2.393 -5.699 10.156 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.325 -4.807 12.163 1.00 0.00 O ATOM 0 H GLU A 112 1.737 -3.844 7.028 1.00 0.00 H new ATOM 0 HA GLU A 112 1.560 -1.409 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.162 -3.963 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.766 -2.569 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.041 -2.598 11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.907 -3.348 9.967 1.00 0.00 H new ATOM 1166 N TRP A 113 3.820 -1.885 6.295 1.00 0.00 N ATOM 1167 CA TRP A 113 4.863 -1.232 5.513 1.00 0.00 C ATOM 1168 C TRP A 113 4.482 0.209 5.193 1.00 0.00 C ATOM 1169 O TRP A 113 5.347 1.077 5.072 1.00 0.00 O ATOM 1170 CB TRP A 113 5.118 -2.005 4.218 1.00 0.00 C ATOM 1171 CG TRP A 113 5.794 -1.187 3.160 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.988 -0.533 3.269 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.314 -0.933 1.836 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.280 0.112 2.091 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.269 -0.119 1.195 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.172 -1.316 1.127 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.114 0.319 -0.117 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.020 -0.881 -0.176 1.00 0.00 C ATOM 1179 CH2 TRP A 113 4.986 -0.071 -0.787 1.00 0.00 C ATOM 0 H TRP A 113 3.531 -2.795 5.936 1.00 0.00 H new ATOM 0 HA TRP A 113 5.776 -1.223 6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.732 -2.878 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.168 -2.373 3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.611 -0.524 4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.114 0.672 1.913 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.422 -1.941 1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.857 0.944 -0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.141 -1.171 -0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.838 0.252 -1.807 1.00 0.00 H new ATOM 1190 N ILE A 114 3.184 0.457 5.056 1.00 0.00 N ATOM 1191 CA ILE A 114 2.690 1.794 4.751 1.00 0.00 C ATOM 1192 C ILE A 114 2.374 2.567 6.027 1.00 0.00 C ATOM 1193 O ILE A 114 2.859 3.681 6.226 1.00 0.00 O ATOM 1194 CB ILE A 114 1.427 1.740 3.870 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.745 1.082 2.526 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.867 3.139 3.663 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.526 0.865 1.657 1.00 0.00 C ATOM 0 H ILE A 114 2.455 -0.250 5.151 1.00 0.00 H new ATOM 0 HA ILE A 114 3.482 2.307 4.205 1.00 0.00 H new ATOM 0 HB ILE A 114 0.672 1.139 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.460 1.703 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.229 0.122 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.025 3.085 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.609 3.574 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.616 3.762 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.826 0.395 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.181 0.219 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.054 1.825 1.447 1.00 0.00 H new ATOM 1209 N VAL A 115 1.558 1.968 6.889 1.00 0.00 N ATOM 1210 CA VAL A 115 1.179 2.599 8.147 1.00 0.00 C ATOM 1211 C VAL A 115 2.372 3.295 8.794 1.00 0.00 C ATOM 1212 O VAL A 115 2.297 4.469 9.155 1.00 0.00 O ATOM 1213 CB VAL A 115 0.598 1.572 9.137 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.177 2.255 10.430 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.573 0.831 8.510 1.00 0.00 C ATOM 0 H VAL A 115 1.147 1.047 6.739 1.00 0.00 H new ATOM 0 HA VAL A 115 0.414 3.339 7.912 1.00 0.00 H new ATOM 0 HB VAL A 115 1.374 0.844 9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.231 1.514 11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.043 2.735 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.583 3.006 10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.971 0.109 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.353 1.544 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.236 0.308 7.615 1.00 0.00 H new ATOM 1225 N GLU A 116 3.471 2.561 8.938 1.00 0.00 N ATOM 1226 CA GLU A 116 4.680 3.108 9.542 1.00 0.00 C ATOM 1227 C GLU A 116 5.236 4.256 8.704 1.00 0.00 C ATOM 1228 O GLU A 116 5.666 5.278 9.239 1.00 0.00 O ATOM 1229 CB GLU A 116 5.740 2.015 9.697 1.00 0.00 C ATOM 1230 CG GLU A 116 5.458 1.051 10.837 1.00 0.00 C ATOM 1231 CD GLU A 116 6.030 1.527 12.158 1.00 0.00 C ATOM 1232 OE1 GLU A 116 7.136 2.108 12.150 1.00 0.00 O ATOM 1233 OE2 GLU A 116 5.373 1.319 13.199 1.00 0.00 O ATOM 0 H GLU A 116 3.549 1.587 8.645 1.00 0.00 H new ATOM 0 HA GLU A 116 4.420 3.494 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.809 1.453 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.711 2.483 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.381 0.919 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.877 0.075 10.594 1.00 0.00 H new ATOM 1240 N SER A 117 5.224 4.079 7.387 1.00 0.00 N ATOM 1241 CA SER A 117 5.731 5.096 6.474 1.00 0.00 C ATOM 1242 C SER A 117 5.053 6.439 6.727 1.00 0.00 C ATOM 1243 O SER A 117 5.710 7.479 6.776 1.00 0.00 O ATOM 1244 CB SER A 117 5.509 4.666 5.023 1.00 0.00 C ATOM 1245 OG SER A 117 6.152 3.432 4.753 1.00 0.00 O ATOM 0 H SER A 117 4.868 3.240 6.928 1.00 0.00 H new ATOM 0 HA SER A 117 6.800 5.208 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.441 4.574 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.891 5.434 4.350 1.00 0.00 H new ATOM 0 HG SER A 117 5.544 2.693 4.966 1.00 0.00 H new ATOM 1251 N ILE A 118 3.734 6.408 6.888 1.00 0.00 N ATOM 1252 CA ILE A 118 2.967 7.622 7.138 1.00 0.00 C ATOM 1253 C ILE A 118 3.354 8.253 8.471 1.00 0.00 C ATOM 1254 O ILE A 118 3.790 9.403 8.523 1.00 0.00 O ATOM 1255 CB ILE A 118 1.453 7.340 7.137 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.027 6.723 5.803 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.676 8.621 7.406 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.336 6.070 5.846 1.00 0.00 C ATOM 0 H ILE A 118 3.175 5.556 6.850 1.00 0.00 H new ATOM 0 HA ILE A 118 3.201 8.315 6.330 1.00 0.00 H new ATOM 0 HB ILE A 118 1.231 6.628 7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.025 7.499 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.767 5.981 5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.393 8.406 7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.962 9.023 8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.902 9.353 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.572 5.655 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.334 5.271 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.087 6.813 6.115 1.00 0.00 H new ATOM 1270 N LYS A 119 3.194 7.492 9.548 1.00 0.00 N ATOM 1271 CA LYS A 119 3.529 7.974 10.883 1.00 0.00 C ATOM 1272 C LYS A 119 4.913 8.616 10.898 1.00 0.00 C ATOM 1273 O LYS A 119 5.127 9.637 11.550 1.00 0.00 O ATOM 1274 CB LYS A 119 3.478 6.824 11.891 1.00 0.00 C ATOM 1275 CG LYS A 119 2.069 6.345 12.195 1.00 0.00 C ATOM 1276 CD LYS A 119 2.053 4.877 12.589 1.00 0.00 C ATOM 1277 CE LYS A 119 0.851 4.548 13.462 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.428 4.652 12.707 1.00 0.00 N ATOM 0 H LYS A 119 2.834 6.538 9.523 1.00 0.00 H new ATOM 0 HA LYS A 119 2.794 8.728 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.062 5.988 11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.952 7.144 12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.646 6.944 13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.436 6.495 11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.033 4.258 11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.971 4.633 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.957 3.539 13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.825 5.226 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.084 5.276 13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.242 5.045 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.853 3.707 12.612 1.00 0.00 H new ATOM 1292 N ALA A 120 5.848 8.011 10.173 1.00 0.00 N ATOM 1293 CA ALA A 120 7.210 8.526 10.101 1.00 0.00 C ATOM 1294 C ALA A 120 7.308 9.681 9.110 1.00 0.00 C ATOM 1295 O ALA A 120 8.168 10.551 9.240 1.00 0.00 O ATOM 1296 CB ALA A 120 8.175 7.414 9.715 1.00 0.00 C ATOM 0 H ALA A 120 5.687 7.164 9.627 1.00 0.00 H new ATOM 0 HA ALA A 120 7.482 8.903 11.087 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.188 7.813 9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.134 6.621 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.895 7.011 8.742 1.00 0.00 H new ATOM 1302 N GLY A 121 6.421 9.683 8.120 1.00 0.00 N ATOM 1303 CA GLY A 121 6.426 10.736 7.121 1.00 0.00 C ATOM 1304 C GLY A 121 7.416 10.471 6.004 1.00 0.00 C ATOM 1305 O GLY A 121 8.005 11.402 5.454 1.00 0.00 O ATOM 0 H GLY A 121 5.699 8.974 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.426 10.837 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.668 11.685 7.599 1.00 0.00 H new ATOM 1309 N ARG A 122 7.602 9.198 5.670 1.00 0.00 N ATOM 1310 CA ARG A 122 8.530 8.814 4.613 1.00 0.00 C ATOM 1311 C ARG A 122 8.358 7.342 4.248 1.00 0.00 C ATOM 1312 O ARG A 122 7.981 6.523 5.087 1.00 0.00 O ATOM 1313 CB ARG A 122 9.972 9.077 5.051 1.00 0.00 C ATOM 1314 CG ARG A 122 10.347 8.391 6.354 1.00 0.00 C ATOM 1315 CD ARG A 122 11.852 8.209 6.474 1.00 0.00 C ATOM 1316 NE ARG A 122 12.521 9.439 6.888 1.00 0.00 N ATOM 1317 CZ ARG A 122 12.489 9.912 8.129 1.00 0.00 C ATOM 1318 NH1 ARG A 122 11.824 9.260 9.073 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.123 11.039 8.428 1.00 0.00 N ATOM 0 H ARG A 122 7.123 8.416 6.116 1.00 0.00 H new ATOM 0 HA ARG A 122 8.309 9.417 3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.649 8.741 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.119 10.151 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.982 8.981 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.856 7.419 6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.065 7.420 7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.255 7.882 5.515 1.00 0.00 H new ATOM 0 HE ARG A 122 13.042 9.964 6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.336 8.393 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.801 9.625 10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.636 11.543 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.098 11.401 9.381 1.00 0.00 H new ATOM 1333 N LEU A 123 8.638 7.013 2.992 1.00 0.00 N ATOM 1334 CA LEU A 123 8.514 5.640 2.515 1.00 0.00 C ATOM 1335 C LEU A 123 9.563 4.742 3.163 1.00 0.00 C ATOM 1336 O LEU A 123 10.757 5.043 3.136 1.00 0.00 O ATOM 1337 CB LEU A 123 8.657 5.593 0.992 1.00 0.00 C ATOM 1338 CG LEU A 123 7.924 4.454 0.284 1.00 0.00 C ATOM 1339 CD1 LEU A 123 8.201 4.489 -1.211 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.329 3.111 0.873 1.00 0.00 C ATOM 0 H LEU A 123 8.952 7.678 2.285 1.00 0.00 H new ATOM 0 HA LEU A 123 7.526 5.273 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.298 6.538 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.717 5.523 0.749 1.00 0.00 H new ATOM 0 HG LEU A 123 6.853 4.586 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.671 3.671 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.859 5.439 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.272 4.382 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.797 2.312 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.403 2.970 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.077 3.088 1.933 1.00 0.00 H new ATOM 1352 N LEU A 124 9.110 3.637 3.744 1.00 0.00 N ATOM 1353 CA LEU A 124 10.009 2.692 4.398 1.00 0.00 C ATOM 1354 C LEU A 124 10.343 1.528 3.471 1.00 0.00 C ATOM 1355 O LEU A 124 9.771 1.399 2.389 1.00 0.00 O ATOM 1356 CB LEU A 124 9.378 2.167 5.689 1.00 0.00 C ATOM 1357 CG LEU A 124 9.221 3.182 6.821 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.355 2.612 7.933 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.583 3.595 7.360 1.00 0.00 C ATOM 0 H LEU A 124 8.125 3.373 3.776 1.00 0.00 H new ATOM 0 HA LEU A 124 10.934 3.216 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.394 1.764 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.983 1.337 6.054 1.00 0.00 H new ATOM 0 HG LEU A 124 8.727 4.068 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.255 3.349 8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.369 2.368 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.820 1.709 8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.452 4.318 8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.105 2.717 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.170 4.046 6.560 1.00 0.00 H new ATOM 1371 N SER A 125 11.271 0.681 3.904 1.00 0.00 N ATOM 1372 CA SER A 125 11.683 -0.473 3.113 1.00 0.00 C ATOM 1373 C SER A 125 10.676 -1.611 3.247 1.00 0.00 C ATOM 1374 O SER A 125 10.171 -1.882 4.337 1.00 0.00 O ATOM 1375 CB SER A 125 13.070 -0.949 3.549 1.00 0.00 C ATOM 1376 OG SER A 125 14.018 0.101 3.470 1.00 0.00 O ATOM 0 H SER A 125 11.752 0.772 4.799 1.00 0.00 H new ATOM 0 HA SER A 125 11.724 -0.169 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.024 -1.325 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.388 -1.779 2.918 1.00 0.00 H new ATOM 0 HG SER A 125 14.896 -0.229 3.756 1.00 0.00 H new ATOM 1382 N TYR A 126 10.390 -2.274 2.132 1.00 0.00 N ATOM 1383 CA TYR A 126 9.442 -3.382 2.124 1.00 0.00 C ATOM 1384 C TYR A 126 10.163 -4.718 2.272 1.00 0.00 C ATOM 1385 O TYR A 126 9.547 -5.738 2.581 1.00 0.00 O ATOM 1386 CB TYR A 126 8.625 -3.371 0.831 1.00 0.00 C ATOM 1387 CG TYR A 126 9.363 -3.947 -0.357 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.559 -5.317 -0.479 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.864 -3.121 -1.355 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.234 -5.847 -1.562 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.538 -3.643 -2.442 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.721 -5.007 -2.541 1.00 0.00 C ATOM 1393 OH TYR A 126 11.393 -5.530 -3.621 1.00 0.00 O ATOM 0 H TYR A 126 10.801 -2.064 1.222 1.00 0.00 H new ATOM 0 HA TYR A 126 8.769 -3.258 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.707 -3.937 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.333 -2.346 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.178 -5.978 0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.724 -2.053 -1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.379 -6.914 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.920 -2.987 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 126 11.669 -4.803 -4.218 1.00 0.00 H new ATOM 1403 N ILE A 127 11.473 -4.703 2.049 1.00 0.00 N ATOM 1404 CA ILE A 127 12.280 -5.911 2.159 1.00 0.00 C ATOM 1405 C ILE A 127 11.915 -6.705 3.409 1.00 0.00 C ATOM 1406 O ILE A 127 11.530 -7.872 3.343 1.00 0.00 O ATOM 1407 CB ILE A 127 13.784 -5.583 2.194 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.360 -5.574 0.777 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.525 -6.586 3.067 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.168 -6.880 0.038 1.00 0.00 C ATOM 0 H ILE A 127 11.998 -3.867 1.791 1.00 0.00 H new ATOM 0 HA ILE A 127 12.068 -6.512 1.275 1.00 0.00 H new ATOM 0 HB ILE A 127 13.914 -4.590 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.891 -4.772 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.425 -5.348 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.587 -6.341 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.129 -6.547 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.390 -7.589 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.601 -6.801 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.661 -7.683 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.103 -7.098 -0.045 1.00 0.00 H new ATOM 1422 N PRO A 128 12.036 -6.057 4.577 1.00 0.00 N ATOM 1423 CA PRO A 128 11.721 -6.682 5.865 1.00 0.00 C ATOM 1424 C PRO A 128 10.225 -6.923 6.042 1.00 0.00 C ATOM 1425 O PRO A 128 9.812 -7.752 6.854 1.00 0.00 O ATOM 1426 CB PRO A 128 12.221 -5.659 6.888 1.00 0.00 C ATOM 1427 CG PRO A 128 12.181 -4.354 6.169 1.00 0.00 C ATOM 1428 CD PRO A 128 12.489 -4.664 4.730 1.00 0.00 C ATOM 0 HA PRO A 128 12.182 -7.665 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.586 -5.642 7.774 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.231 -5.895 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.202 -3.885 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.911 -3.658 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.961 -3.993 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.553 -4.561 4.516 1.00 0.00 H new ATOM 1436 N TYR A 129 9.419 -6.195 5.277 1.00 0.00 N ATOM 1437 CA TYR A 129 7.969 -6.330 5.351 1.00 0.00 C ATOM 1438 C TYR A 129 7.438 -7.160 4.186 1.00 0.00 C ATOM 1439 O TYR A 129 6.261 -7.079 3.839 1.00 0.00 O ATOM 1440 CB TYR A 129 7.307 -4.950 5.352 1.00 0.00 C ATOM 1441 CG TYR A 129 7.418 -4.227 6.675 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.696 -4.652 7.784 1.00 0.00 C ATOM 1443 CD2 TYR A 129 8.244 -3.119 6.817 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.793 -3.993 8.995 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.349 -2.455 8.024 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.621 -2.896 9.110 1.00 0.00 C ATOM 1447 OH TYR A 129 7.721 -2.238 10.314 1.00 0.00 O ATOM 0 H TYR A 129 9.745 -5.506 4.599 1.00 0.00 H new ATOM 0 HA TYR A 129 7.725 -6.844 6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.762 -4.338 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.253 -5.061 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.048 -5.512 7.698 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.814 -2.770 5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.224 -4.335 9.847 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.997 -1.596 8.117 1.00 0.00 H new ATOM 0 HH TYR A 129 8.346 -1.489 10.226 1.00 0.00 H new ATOM 1457 N GLN A 130 8.317 -7.957 3.588 1.00 0.00 N ATOM 1458 CA GLN A 130 7.938 -8.802 2.462 1.00 0.00 C ATOM 1459 C GLN A 130 7.333 -10.115 2.946 1.00 0.00 C ATOM 1460 O GLN A 130 7.829 -10.729 3.892 1.00 0.00 O ATOM 1461 CB GLN A 130 9.154 -9.083 1.576 1.00 0.00 C ATOM 1462 CG GLN A 130 8.807 -9.263 0.107 1.00 0.00 C ATOM 1463 CD GLN A 130 9.997 -9.700 -0.724 1.00 0.00 C ATOM 1464 OE1 GLN A 130 9.896 -10.617 -1.540 1.00 0.00 O ATOM 1465 NE2 GLN A 130 11.135 -9.045 -0.521 1.00 0.00 N ATOM 0 H GLN A 130 9.296 -8.035 3.864 1.00 0.00 H new ATOM 0 HA GLN A 130 7.187 -8.270 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.863 -8.261 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.655 -9.982 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 130 8.012 -10.003 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.418 -8.325 -0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.174 -8.291 0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.969 -9.296 -1.051 1.00 0.00 H new ATOM 1474 N LEU A 131 6.257 -10.541 2.293 1.00 0.00 N ATOM 1475 CA LEU A 131 5.583 -11.782 2.657 1.00 0.00 C ATOM 1476 C LEU A 131 6.035 -12.931 1.761 1.00 0.00 C ATOM 1477 O LEU A 131 6.941 -12.774 0.943 1.00 0.00 O ATOM 1478 CB LEU A 131 4.066 -11.610 2.558 1.00 0.00 C ATOM 1479 CG LEU A 131 3.366 -11.094 3.816 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.868 -10.969 3.580 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.646 -12.012 4.997 1.00 0.00 C ATOM 0 H LEU A 131 5.833 -10.045 1.509 1.00 0.00 H new ATOM 0 HA LEU A 131 5.849 -12.022 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.851 -10.924 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.628 -12.572 2.291 1.00 0.00 H new ATOM 0 HG LEU A 131 3.761 -10.105 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.386 -10.601 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.685 -10.271 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.458 -11.945 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.140 -11.629 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.279 -13.014 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.720 -12.051 5.181 1.00 0.00 H new ATOM 1493 N TYR A 132 5.396 -14.085 1.920 1.00 0.00 N ATOM 1494 CA TYR A 132 5.732 -15.261 1.126 1.00 0.00 C ATOM 1495 C TYR A 132 6.220 -14.859 -0.262 1.00 0.00 C ATOM 1496 O TYR A 132 5.422 -14.604 -1.165 1.00 0.00 O ATOM 1497 CB TYR A 132 4.519 -16.184 1.005 1.00 0.00 C ATOM 1498 CG TYR A 132 3.576 -16.102 2.184 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.747 -16.920 3.294 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.513 -15.208 2.187 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.887 -16.849 4.373 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.649 -15.129 3.262 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.840 -15.952 4.352 1.00 0.00 C ATOM 1504 OH TYR A 132 0.980 -15.877 5.425 1.00 0.00 O ATOM 0 H TYR A 132 4.642 -14.231 2.592 1.00 0.00 H new ATOM 0 HA TYR A 132 6.536 -15.794 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 132 3.973 -15.935 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.865 -17.212 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.566 -17.623 3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.359 -14.563 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.034 -17.492 5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.829 -14.427 3.249 1.00 0.00 H new ATOM 0 HH TYR A 132 0.884 -14.942 5.702 1.00 0.00 H new