USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 85 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.339) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0.0533 USER MOD Set 2.1: A 49 TYR OH : rot 81:sc= 0.0728 USER MOD Set 2.2: A 70 GLN : amide:sc= -1.22! X(o=-1.2!,f=-1) USER MOD Set 3.1: A 52 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.88) USER MOD Set 3.2: A 66 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.7 K(o=-1.7,f=-6.2!) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0.199 (180deg=0.0855) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 37:sc= 0.0489 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.327 F(o=-2.5,f=-0.33) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 176:sc= 0.807 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -173:sc= -2.72! USER MOD Single : A 92 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.7!) USER MOD Single : A 100 ASN : amide:sc= -1.81 K(o=-1.8,f=-5.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.165 1.962 8.012 1.00 0.00 N ATOM 119 CA VAL A 11 -20.601 2.057 6.670 1.00 0.00 C ATOM 120 C VAL A 11 -20.391 0.675 6.063 1.00 0.00 C ATOM 121 O VAL A 11 -20.696 -0.342 6.686 1.00 0.00 O ATOM 122 CB VAL A 11 -19.258 2.812 6.678 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.428 4.199 7.280 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.206 2.018 7.438 1.00 0.00 C ATOM 0 HA VAL A 11 -21.318 2.611 6.064 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.920 2.928 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.469 4.717 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.148 4.766 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.789 4.109 8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.264 2.566 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.535 1.869 8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.065 1.049 6.959 1.00 0.00 H new ATOM 134 N LYS A 12 -19.867 0.644 4.843 1.00 0.00 N ATOM 135 CA LYS A 12 -19.613 -0.613 4.150 1.00 0.00 C ATOM 136 C LYS A 12 -18.181 -1.083 4.381 1.00 0.00 C ATOM 137 O LYS A 12 -17.227 -0.373 4.064 1.00 0.00 O ATOM 138 CB LYS A 12 -19.873 -0.454 2.650 1.00 0.00 C ATOM 139 CG LYS A 12 -21.322 -0.683 2.256 1.00 0.00 C ATOM 140 CD LYS A 12 -21.479 -0.794 0.748 1.00 0.00 C ATOM 141 CE LYS A 12 -21.058 -2.166 0.244 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.208 -2.284 -1.233 1.00 0.00 N ATOM 0 H LYS A 12 -19.610 1.477 4.313 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.292 -1.364 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.576 0.549 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.242 -1.155 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.689 -1.594 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.935 0.138 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.517 -0.607 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.878 -0.026 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.020 -2.351 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.659 -2.933 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.911 -3.233 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.203 -2.132 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.615 -1.569 -1.700 1.00 0.00 H new ATOM 156 N GLU A 13 -18.038 -2.283 4.935 1.00 0.00 N ATOM 157 CA GLU A 13 -16.721 -2.847 5.207 1.00 0.00 C ATOM 158 C GLU A 13 -16.048 -3.305 3.917 1.00 0.00 C ATOM 159 O GLU A 13 -16.544 -4.197 3.228 1.00 0.00 O ATOM 160 CB GLU A 13 -16.836 -4.021 6.181 1.00 0.00 C ATOM 161 CG GLU A 13 -17.778 -5.115 5.707 1.00 0.00 C ATOM 162 CD GLU A 13 -17.928 -6.236 6.717 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.544 -5.999 7.778 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.429 -7.348 6.449 1.00 0.00 O ATOM 0 H GLU A 13 -18.818 -2.883 5.204 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.107 -2.068 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.846 -4.449 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.181 -3.649 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.757 -4.682 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.408 -5.525 4.767 1.00 0.00 H new ATOM 171 N LEU A 14 -14.916 -2.689 3.597 1.00 0.00 N ATOM 172 CA LEU A 14 -14.173 -3.032 2.389 1.00 0.00 C ATOM 173 C LEU A 14 -12.940 -3.865 2.726 1.00 0.00 C ATOM 174 O LEU A 14 -12.215 -3.564 3.675 1.00 0.00 O ATOM 175 CB LEU A 14 -13.757 -1.763 1.644 1.00 0.00 C ATOM 176 CG LEU A 14 -14.868 -0.746 1.378 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.292 0.532 0.789 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.921 -1.336 0.451 1.00 0.00 C ATOM 0 H LEU A 14 -14.492 -1.949 4.157 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.825 -3.625 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.971 -1.271 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.321 -2.053 0.688 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.345 -0.501 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.097 1.244 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.577 0.965 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.789 0.305 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.703 -0.598 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.458 -1.610 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.356 -2.222 0.912 1.00 0.00 H new ATOM 190 N THR A 15 -12.707 -4.912 1.941 1.00 0.00 N ATOM 191 CA THR A 15 -11.561 -5.787 2.155 1.00 0.00 C ATOM 192 C THR A 15 -10.347 -5.306 1.369 1.00 0.00 C ATOM 193 O THR A 15 -10.149 -5.688 0.216 1.00 0.00 O ATOM 194 CB THR A 15 -11.879 -7.238 1.748 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.029 -7.707 2.462 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.695 -8.151 2.029 1.00 0.00 C ATOM 0 H THR A 15 -13.297 -5.175 1.151 1.00 0.00 H new ATOM 0 HA THR A 15 -11.335 -5.757 3.221 1.00 0.00 H new ATOM 0 HB THR A 15 -12.085 -7.254 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.225 -8.630 2.196 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.943 -9.170 1.733 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.829 -7.809 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.463 -8.128 3.094 1.00 0.00 H new ATOM 204 N VAL A 16 -9.534 -4.465 2.001 1.00 0.00 N ATOM 205 CA VAL A 16 -8.337 -3.932 1.361 1.00 0.00 C ATOM 206 C VAL A 16 -7.145 -4.860 1.567 1.00 0.00 C ATOM 207 O VAL A 16 -6.751 -5.140 2.699 1.00 0.00 O ATOM 208 CB VAL A 16 -7.985 -2.534 1.904 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.826 -1.934 1.123 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.202 -1.622 1.854 1.00 0.00 C ATOM 0 H VAL A 16 -9.683 -4.138 2.956 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.555 -3.855 0.296 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.677 -2.634 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.592 -0.947 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.952 -2.579 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.102 -1.846 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.936 -0.638 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.543 -1.526 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.001 -2.047 2.462 1.00 0.00 H new ATOM 220 N SER A 17 -6.574 -5.334 0.464 1.00 0.00 N ATOM 221 CA SER A 17 -5.428 -6.234 0.523 1.00 0.00 C ATOM 222 C SER A 17 -4.368 -5.830 -0.496 1.00 0.00 C ATOM 223 O SER A 17 -4.653 -5.698 -1.686 1.00 0.00 O ATOM 224 CB SER A 17 -5.872 -7.676 0.271 1.00 0.00 C ATOM 225 OG SER A 17 -4.792 -8.578 0.438 1.00 0.00 O ATOM 0 H SER A 17 -6.886 -5.110 -0.481 1.00 0.00 H new ATOM 0 HA SER A 17 -4.993 -6.165 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.678 -7.937 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.272 -7.766 -0.739 1.00 0.00 H new ATOM 0 HG SER A 17 -5.102 -9.493 0.273 1.00 0.00 H new ATOM 231 N ALA A 18 -3.142 -5.635 -0.021 1.00 0.00 N ATOM 232 CA ALA A 18 -2.038 -5.248 -0.890 1.00 0.00 C ATOM 233 C ALA A 18 -1.577 -6.422 -1.747 1.00 0.00 C ATOM 234 O ALA A 18 -1.291 -6.262 -2.933 1.00 0.00 O ATOM 235 CB ALA A 18 -0.880 -4.709 -0.063 1.00 0.00 C ATOM 0 H ALA A 18 -2.889 -5.739 0.962 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.391 -4.462 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.062 -4.424 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.211 -3.837 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.536 -5.479 0.627 1.00 0.00 H new ATOM 241 N GLY A 19 -1.507 -7.602 -1.139 1.00 0.00 N ATOM 242 CA GLY A 19 -1.079 -8.786 -1.862 1.00 0.00 C ATOM 243 C GLY A 19 -0.299 -9.748 -0.989 1.00 0.00 C ATOM 244 O GLY A 19 -0.806 -10.806 -0.613 1.00 0.00 O ATOM 0 H GLY A 19 -1.739 -7.760 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.953 -9.296 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.462 -8.487 -2.709 1.00 0.00 H new ATOM 248 N ASP A 20 0.937 -9.384 -0.667 1.00 0.00 N ATOM 249 CA ASP A 20 1.789 -10.223 0.167 1.00 0.00 C ATOM 250 C ASP A 20 3.087 -9.502 0.516 1.00 0.00 C ATOM 251 O ASP A 20 3.336 -8.391 0.051 1.00 0.00 O ATOM 252 CB ASP A 20 2.099 -11.540 -0.546 1.00 0.00 C ATOM 253 CG ASP A 20 2.561 -12.622 0.410 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.168 -12.574 1.594 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.316 -13.517 -0.026 1.00 0.00 O ATOM 0 H ASP A 20 1.372 -8.513 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 20 1.253 -10.437 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.209 -11.882 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.870 -11.370 -1.298 1.00 0.00 H new ATOM 260 N ASN A 21 3.911 -10.143 1.339 1.00 0.00 N ATOM 261 CA ASN A 21 5.183 -9.562 1.753 1.00 0.00 C ATOM 262 C ASN A 21 6.160 -9.503 0.582 1.00 0.00 C ATOM 263 O ASN A 21 6.315 -10.473 -0.161 1.00 0.00 O ATOM 264 CB ASN A 21 5.791 -10.374 2.898 1.00 0.00 C ATOM 265 CG ASN A 21 6.279 -11.737 2.445 1.00 0.00 C ATOM 266 OD1 ASN A 21 7.256 -11.844 1.704 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.598 -12.787 2.890 1.00 0.00 N ATOM 0 H ASN A 21 3.721 -11.065 1.732 1.00 0.00 H new ATOM 0 HA ASN A 21 4.994 -8.546 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.623 -9.819 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.047 -10.500 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.879 -13.729 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.794 -12.651 3.503 1.00 0.00 H new ATOM 274 N LEU A 22 6.818 -8.359 0.425 1.00 0.00 N ATOM 275 CA LEU A 22 7.781 -8.173 -0.655 1.00 0.00 C ATOM 276 C LEU A 22 9.190 -7.987 -0.101 1.00 0.00 C ATOM 277 O LEU A 22 9.388 -7.299 0.901 1.00 0.00 O ATOM 278 CB LEU A 22 7.393 -6.965 -1.508 1.00 0.00 C ATOM 279 CG LEU A 22 5.938 -6.915 -1.979 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.469 -8.296 -2.409 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.041 -6.363 -0.881 1.00 0.00 C ATOM 0 H LEU A 22 6.702 -7.547 1.031 1.00 0.00 H new ATOM 0 HA LEU A 22 7.770 -9.068 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.600 -6.060 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.039 -6.943 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 22 5.877 -6.249 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.432 -8.241 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.094 -8.654 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.545 -8.984 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.010 -6.335 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.106 -7.004 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.363 -5.355 -0.620 1.00 0.00 H new ATOM 293 N ILE A 23 10.165 -8.603 -0.760 1.00 0.00 N ATOM 294 CA ILE A 23 11.556 -8.503 -0.336 1.00 0.00 C ATOM 295 C ILE A 23 12.463 -8.139 -1.507 1.00 0.00 C ATOM 296 O ILE A 23 12.457 -8.809 -2.540 1.00 0.00 O ATOM 297 CB ILE A 23 12.050 -9.819 0.292 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.168 -10.204 1.482 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.503 -9.688 0.723 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.363 -11.632 1.942 1.00 0.00 C ATOM 0 H ILE A 23 10.017 -9.177 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 23 11.601 -7.714 0.414 1.00 0.00 H new ATOM 0 HB ILE A 23 11.984 -10.609 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.379 -9.531 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.122 -10.058 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.837 -10.627 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.120 -9.455 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.594 -8.888 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.706 -11.835 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.124 -12.313 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.400 -11.778 2.244 1.00 0.00 H new ATOM 312 N ILE A 24 13.243 -7.077 -1.336 1.00 0.00 N ATOM 313 CA ILE A 24 14.158 -6.627 -2.378 1.00 0.00 C ATOM 314 C ILE A 24 15.607 -6.716 -1.912 1.00 0.00 C ATOM 315 O ILE A 24 15.882 -6.844 -0.718 1.00 0.00 O ATOM 316 CB ILE A 24 13.856 -5.178 -2.805 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.358 -4.364 -1.609 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.831 -5.160 -3.929 1.00 0.00 C ATOM 319 CD1 ILE A 24 12.887 -2.975 -1.978 1.00 0.00 C ATOM 0 H ILE A 24 13.260 -6.512 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 24 14.012 -7.287 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 24 14.776 -4.723 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.540 -4.901 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.160 -4.284 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.628 -4.129 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.221 -5.709 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.908 -5.629 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.548 -2.456 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.709 -2.420 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.064 -3.047 -2.689 1.00 0.00 H new ATOM 331 N THR A 25 16.534 -6.647 -2.863 1.00 0.00 N ATOM 332 CA THR A 25 17.956 -6.719 -2.551 1.00 0.00 C ATOM 333 C THR A 25 18.740 -5.654 -3.309 1.00 0.00 C ATOM 334 O THR A 25 18.579 -5.493 -4.520 1.00 0.00 O ATOM 335 CB THR A 25 18.536 -8.105 -2.890 1.00 0.00 C ATOM 336 OG1 THR A 25 17.823 -9.122 -2.177 1.00 0.00 O ATOM 337 CG2 THR A 25 20.014 -8.174 -2.539 1.00 0.00 C ATOM 0 H THR A 25 16.325 -6.541 -3.856 1.00 0.00 H new ATOM 0 HA THR A 25 18.053 -6.544 -1.479 1.00 0.00 H new ATOM 0 HB THR A 25 18.426 -8.268 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.197 -10.000 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.401 -9.162 -2.787 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.558 -7.418 -3.105 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.144 -7.991 -1.472 1.00 0.00 H new ATOM 345 N LEU A 26 19.589 -4.928 -2.590 1.00 0.00 N ATOM 346 CA LEU A 26 20.400 -3.877 -3.196 1.00 0.00 C ATOM 347 C LEU A 26 21.163 -4.407 -4.406 1.00 0.00 C ATOM 348 O LEU A 26 21.416 -5.605 -4.535 1.00 0.00 O ATOM 349 CB LEU A 26 21.381 -3.308 -2.170 1.00 0.00 C ATOM 350 CG LEU A 26 20.807 -2.287 -1.187 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.872 -1.841 -0.197 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.236 -1.090 -1.934 1.00 0.00 C ATOM 0 H LEU A 26 19.734 -5.047 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 26 19.732 -3.083 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.800 -4.137 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.207 -2.841 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 26 19.999 -2.762 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.445 -1.115 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.234 -2.704 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.702 -1.384 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.832 -0.374 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.025 -0.615 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.442 -1.423 -2.602 1.00 0.00 H new ATOM 364 N PRO A 27 21.540 -3.495 -5.314 1.00 0.00 N ATOM 365 CA PRO A 27 21.244 -2.066 -5.171 1.00 0.00 C ATOM 366 C PRO A 27 19.759 -1.763 -5.339 1.00 0.00 C ATOM 367 O PRO A 27 19.267 -0.741 -4.860 1.00 0.00 O ATOM 368 CB PRO A 27 22.052 -1.421 -6.299 1.00 0.00 C ATOM 369 CG PRO A 27 22.205 -2.497 -7.318 1.00 0.00 C ATOM 370 CD PRO A 27 22.285 -3.787 -6.550 1.00 0.00 C ATOM 0 HA PRO A 27 21.500 -1.694 -4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.534 -0.555 -6.712 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.021 -1.073 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.360 -2.505 -8.007 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.103 -2.343 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.837 -4.613 -7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.317 -4.066 -6.340 1.00 0.00 H new ATOM 378 N ASP A 28 19.051 -2.656 -6.021 1.00 0.00 N ATOM 379 CA ASP A 28 17.621 -2.484 -6.250 1.00 0.00 C ATOM 380 C ASP A 28 16.911 -2.063 -4.967 1.00 0.00 C ATOM 381 O ASP A 28 16.685 -2.879 -4.075 1.00 0.00 O ATOM 382 CB ASP A 28 17.009 -3.780 -6.784 1.00 0.00 C ATOM 383 CG ASP A 28 17.615 -4.204 -8.108 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.853 -4.126 -8.245 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.850 -4.613 -9.007 1.00 0.00 O ATOM 0 H ASP A 28 19.444 -3.506 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 28 17.490 -1.696 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.152 -4.574 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.934 -3.648 -6.906 1.00 0.00 H new ATOM 390 N ASN A 29 16.564 -0.783 -4.882 1.00 0.00 N ATOM 391 CA ASN A 29 15.882 -0.253 -3.707 1.00 0.00 C ATOM 392 C ASN A 29 14.520 0.323 -4.083 1.00 0.00 C ATOM 393 O ASN A 29 13.982 1.178 -3.381 1.00 0.00 O ATOM 394 CB ASN A 29 16.737 0.825 -3.038 1.00 0.00 C ATOM 395 CG ASN A 29 16.963 2.025 -3.938 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.033 2.525 -4.571 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.205 2.492 -3.999 1.00 0.00 N ATOM 0 H ASN A 29 16.744 -0.094 -5.612 1.00 0.00 H new ATOM 0 HA ASN A 29 15.729 -1.073 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.252 1.151 -2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.700 0.399 -2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.419 3.297 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.945 2.046 -3.457 1.00 0.00 H new ATOM 404 N GLU A 30 13.968 -0.153 -5.195 1.00 0.00 N ATOM 405 CA GLU A 30 12.669 0.315 -5.664 1.00 0.00 C ATOM 406 C GLU A 30 11.648 -0.819 -5.660 1.00 0.00 C ATOM 407 O GLU A 30 11.965 -1.955 -6.012 1.00 0.00 O ATOM 408 CB GLU A 30 12.791 0.901 -7.072 1.00 0.00 C ATOM 409 CG GLU A 30 14.043 1.738 -7.277 1.00 0.00 C ATOM 410 CD GLU A 30 14.137 2.313 -8.677 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.078 2.523 -9.304 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.269 2.554 -9.145 1.00 0.00 O ATOM 0 H GLU A 30 14.400 -0.862 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 30 12.325 1.093 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.786 0.087 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.915 1.516 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.054 2.552 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.922 1.124 -7.080 1.00 0.00 H new ATOM 419 N VAL A 31 10.422 -0.501 -5.258 1.00 0.00 N ATOM 420 CA VAL A 31 9.353 -1.492 -5.208 1.00 0.00 C ATOM 421 C VAL A 31 8.009 -0.870 -5.570 1.00 0.00 C ATOM 422 O VAL A 31 7.722 0.268 -5.202 1.00 0.00 O ATOM 423 CB VAL A 31 9.249 -2.135 -3.812 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.402 -1.081 -2.726 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.929 -2.877 -3.665 1.00 0.00 C ATOM 0 H VAL A 31 10.144 0.435 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 31 9.602 -2.263 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 31 10.059 -2.856 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.326 -1.554 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.375 -0.599 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.615 -0.334 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.872 -3.325 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.102 -2.179 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.865 -3.660 -4.421 1.00 0.00 H new ATOM 435 N GLU A 32 7.189 -1.626 -6.294 1.00 0.00 N ATOM 436 CA GLU A 32 5.875 -1.148 -6.706 1.00 0.00 C ATOM 437 C GLU A 32 4.768 -1.968 -6.051 1.00 0.00 C ATOM 438 O GLU A 32 4.508 -3.107 -6.442 1.00 0.00 O ATOM 439 CB GLU A 32 5.739 -1.212 -8.229 1.00 0.00 C ATOM 440 CG GLU A 32 4.315 -1.022 -8.722 1.00 0.00 C ATOM 441 CD GLU A 32 4.250 -0.641 -10.188 1.00 0.00 C ATOM 442 OE1 GLU A 32 4.997 -1.239 -10.990 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.452 0.256 -10.532 1.00 0.00 O ATOM 0 H GLU A 32 7.412 -2.571 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 32 5.776 -0.112 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.374 -0.446 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.110 -2.176 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.754 -1.944 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.829 -0.248 -8.128 1.00 0.00 H new ATOM 450 N LEU A 33 4.118 -1.381 -5.052 1.00 0.00 N ATOM 451 CA LEU A 33 3.038 -2.056 -4.340 1.00 0.00 C ATOM 452 C LEU A 33 1.687 -1.740 -4.974 1.00 0.00 C ATOM 453 O LEU A 33 1.512 -0.694 -5.599 1.00 0.00 O ATOM 454 CB LEU A 33 3.033 -1.641 -2.868 1.00 0.00 C ATOM 455 CG LEU A 33 4.359 -1.795 -2.122 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.364 -0.944 -0.862 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.613 -3.256 -1.783 1.00 0.00 C ATOM 0 H LEU A 33 4.320 -0.439 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 33 3.208 -3.131 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.724 -0.598 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.276 -2.229 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 33 5.163 -1.449 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.315 -1.066 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.229 0.104 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.551 -1.259 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.561 -3.347 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.806 -3.629 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.654 -3.841 -2.702 1.00 0.00 H new ATOM 469 N LYS A 34 0.734 -2.651 -4.808 1.00 0.00 N ATOM 470 CA LYS A 34 -0.603 -2.469 -5.361 1.00 0.00 C ATOM 471 C LYS A 34 -1.670 -2.854 -4.341 1.00 0.00 C ATOM 472 O LYS A 34 -1.514 -3.826 -3.602 1.00 0.00 O ATOM 473 CB LYS A 34 -0.770 -3.306 -6.630 1.00 0.00 C ATOM 474 CG LYS A 34 -1.984 -2.920 -7.458 1.00 0.00 C ATOM 475 CD LYS A 34 -2.191 -3.874 -8.623 1.00 0.00 C ATOM 476 CE LYS A 34 -3.229 -3.343 -9.600 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.955 -4.445 -10.291 1.00 0.00 N ATOM 0 H LYS A 34 0.863 -3.523 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.726 -1.415 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.125 -3.203 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.848 -4.358 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.872 -2.919 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.860 -1.905 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.245 -4.026 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.508 -4.847 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.943 -2.716 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.740 -2.710 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.859 -4.087 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.377 -4.801 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.137 -5.217 -9.618 1.00 0.00 H new ATOM 491 N ALA A 35 -2.754 -2.086 -4.307 1.00 0.00 N ATOM 492 CA ALA A 35 -3.848 -2.350 -3.380 1.00 0.00 C ATOM 493 C ALA A 35 -5.025 -3.006 -4.093 1.00 0.00 C ATOM 494 O ALA A 35 -5.240 -2.791 -5.286 1.00 0.00 O ATOM 495 CB ALA A 35 -4.290 -1.060 -2.705 1.00 0.00 C ATOM 0 H ALA A 35 -2.898 -1.276 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.487 -3.041 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.107 -1.272 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.452 -0.632 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.627 -0.351 -3.461 1.00 0.00 H new ATOM 501 N PHE A 36 -5.784 -3.810 -3.355 1.00 0.00 N ATOM 502 CA PHE A 36 -6.939 -4.500 -3.918 1.00 0.00 C ATOM 503 C PHE A 36 -8.161 -4.338 -3.018 1.00 0.00 C ATOM 504 O PHE A 36 -8.170 -4.798 -1.876 1.00 0.00 O ATOM 505 CB PHE A 36 -6.628 -5.985 -4.112 1.00 0.00 C ATOM 506 CG PHE A 36 -5.861 -6.277 -5.370 1.00 0.00 C ATOM 507 CD1 PHE A 36 -4.480 -6.172 -5.396 1.00 0.00 C ATOM 508 CD2 PHE A 36 -6.522 -6.658 -6.527 1.00 0.00 C ATOM 509 CE1 PHE A 36 -3.773 -6.439 -6.553 1.00 0.00 C ATOM 510 CE2 PHE A 36 -5.820 -6.927 -7.687 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.443 -6.819 -7.699 1.00 0.00 C ATOM 0 H PHE A 36 -5.620 -4.000 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.161 -4.053 -4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.056 -6.343 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.563 -6.545 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.950 -5.878 -4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.598 -6.746 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.697 -6.350 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.347 -7.221 -8.582 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.891 -7.031 -8.603 1.00 0.00 H new ATOM 521 N VAL A 37 -9.191 -3.681 -3.541 1.00 0.00 N ATOM 522 CA VAL A 37 -10.419 -3.458 -2.786 1.00 0.00 C ATOM 523 C VAL A 37 -11.533 -4.381 -3.265 1.00 0.00 C ATOM 524 O VAL A 37 -11.839 -4.436 -4.456 1.00 0.00 O ATOM 525 CB VAL A 37 -10.892 -1.997 -2.902 1.00 0.00 C ATOM 526 CG1 VAL A 37 -12.173 -1.785 -2.110 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.802 -1.045 -2.433 1.00 0.00 C ATOM 0 H VAL A 37 -9.200 -3.294 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.193 -3.677 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.102 -1.784 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.491 -0.747 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.953 -2.440 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.994 -2.016 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.154 -0.017 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.558 -1.256 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.913 -1.179 -3.049 1.00 0.00 H new ATOM 537 N ALA A 38 -12.137 -5.106 -2.329 1.00 0.00 N ATOM 538 CA ALA A 38 -13.220 -6.025 -2.655 1.00 0.00 C ATOM 539 C ALA A 38 -14.455 -5.742 -1.806 1.00 0.00 C ATOM 540 O ALA A 38 -14.403 -5.732 -0.576 1.00 0.00 O ATOM 541 CB ALA A 38 -12.766 -7.465 -2.465 1.00 0.00 C ATOM 0 H ALA A 38 -11.894 -5.074 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.488 -5.875 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.585 -8.140 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.918 -7.668 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.469 -7.619 -1.428 1.00 0.00 H new ATOM 547 N PRO A 39 -15.593 -5.505 -2.475 1.00 0.00 N ATOM 548 CA PRO A 39 -15.666 -5.513 -3.939 1.00 0.00 C ATOM 549 C PRO A 39 -14.937 -4.328 -4.563 1.00 0.00 C ATOM 550 O PRO A 39 -14.820 -3.267 -3.950 1.00 0.00 O ATOM 551 CB PRO A 39 -17.168 -5.425 -4.220 1.00 0.00 C ATOM 552 CG PRO A 39 -17.740 -4.761 -3.015 1.00 0.00 C ATOM 553 CD PRO A 39 -16.895 -5.210 -1.855 1.00 0.00 C ATOM 0 HA PRO A 39 -15.190 -6.396 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.369 -4.848 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.601 -6.414 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.716 -3.676 -3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.783 -5.044 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.811 -4.433 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.316 -6.089 -1.368 1.00 0.00 H new ATOM 561 N ALA A 40 -14.450 -4.516 -5.785 1.00 0.00 N ATOM 562 CA ALA A 40 -13.735 -3.461 -6.493 1.00 0.00 C ATOM 563 C ALA A 40 -14.698 -2.403 -7.021 1.00 0.00 C ATOM 564 O ALA A 40 -15.829 -2.697 -7.407 1.00 0.00 O ATOM 565 CB ALA A 40 -12.917 -4.050 -7.633 1.00 0.00 C ATOM 0 H ALA A 40 -14.537 -5.389 -6.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.059 -2.979 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.389 -3.251 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.195 -4.762 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.581 -4.560 -8.331 1.00 0.00 H new ATOM 571 N PRO A 41 -14.242 -1.142 -7.039 1.00 0.00 N ATOM 572 CA PRO A 41 -15.048 -0.015 -7.518 1.00 0.00 C ATOM 573 C PRO A 41 -15.269 -0.060 -9.026 1.00 0.00 C ATOM 574 O PRO A 41 -14.459 -0.599 -9.780 1.00 0.00 O ATOM 575 CB PRO A 41 -14.211 1.208 -7.136 1.00 0.00 C ATOM 576 CG PRO A 41 -12.810 0.703 -7.073 1.00 0.00 C ATOM 577 CD PRO A 41 -12.904 -0.719 -6.593 1.00 0.00 C ATOM 0 HA PRO A 41 -16.048 -0.016 -7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.312 2.003 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.527 1.620 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.332 0.754 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.208 1.306 -6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.121 -1.342 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.802 -0.785 -5.510 1.00 0.00 H new ATOM 585 N PRO A 42 -16.392 0.519 -9.477 1.00 0.00 N ATOM 586 CA PRO A 42 -16.745 0.558 -10.900 1.00 0.00 C ATOM 587 C PRO A 42 -15.831 1.481 -11.698 1.00 0.00 C ATOM 588 O PRO A 42 -14.782 1.906 -11.212 1.00 0.00 O ATOM 589 CB PRO A 42 -18.177 1.098 -10.895 1.00 0.00 C ATOM 590 CG PRO A 42 -18.283 1.881 -9.632 1.00 0.00 C ATOM 591 CD PRO A 42 -17.403 1.179 -8.635 1.00 0.00 C ATOM 0 HA PRO A 42 -16.645 -0.419 -11.372 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.367 1.725 -11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -18.906 0.288 -10.921 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -17.958 2.910 -9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.315 1.920 -9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.948 1.881 -7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -17.965 0.458 -8.041 1.00 0.00 H new ATOM 599 N VAL A 43 -16.235 1.789 -12.927 1.00 0.00 N ATOM 600 CA VAL A 43 -15.453 2.663 -13.792 1.00 0.00 C ATOM 601 C VAL A 43 -15.598 4.123 -13.375 1.00 0.00 C ATOM 602 O VAL A 43 -14.623 4.874 -13.362 1.00 0.00 O ATOM 603 CB VAL A 43 -15.875 2.518 -15.266 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.332 2.915 -15.446 1.00 0.00 C ATOM 605 CG2 VAL A 43 -14.972 3.351 -16.164 1.00 0.00 C ATOM 0 H VAL A 43 -17.100 1.446 -13.345 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.411 2.360 -13.688 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.770 1.472 -15.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.612 2.806 -16.494 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.963 2.271 -14.833 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.467 3.953 -15.140 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.285 3.236 -17.202 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.042 4.400 -15.878 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.941 3.014 -16.057 1.00 0.00 H new ATOM 615 N GLU A 44 -16.821 4.516 -13.034 1.00 0.00 N ATOM 616 CA GLU A 44 -17.093 5.886 -12.616 1.00 0.00 C ATOM 617 C GLU A 44 -16.549 6.146 -11.215 1.00 0.00 C ATOM 618 O GLU A 44 -15.559 6.858 -11.042 1.00 0.00 O ATOM 619 CB GLU A 44 -18.597 6.165 -12.651 1.00 0.00 C ATOM 620 CG GLU A 44 -19.146 6.371 -14.053 1.00 0.00 C ATOM 621 CD GLU A 44 -20.661 6.422 -14.085 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.296 5.608 -13.381 1.00 0.00 O ATOM 623 OE2 GLU A 44 -21.212 7.274 -14.812 1.00 0.00 O ATOM 0 H GLU A 44 -17.638 3.906 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.590 6.557 -13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.123 5.333 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.807 7.052 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.746 7.299 -14.463 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.800 5.563 -14.697 1.00 0.00 H new ATOM 630 N THR A 45 -17.203 5.564 -10.215 1.00 0.00 N ATOM 631 CA THR A 45 -16.788 5.733 -8.828 1.00 0.00 C ATOM 632 C THR A 45 -15.491 4.982 -8.547 1.00 0.00 C ATOM 633 O THR A 45 -15.341 3.818 -8.922 1.00 0.00 O ATOM 634 CB THR A 45 -17.873 5.241 -7.852 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.141 5.805 -8.206 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.526 5.620 -6.420 1.00 0.00 C ATOM 0 H THR A 45 -18.023 4.971 -10.340 1.00 0.00 H new ATOM 0 HA THR A 45 -16.629 6.800 -8.674 1.00 0.00 H new ATOM 0 HB THR A 45 -17.926 4.154 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.826 5.486 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.307 5.262 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.574 5.166 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.448 6.704 -6.339 1.00 0.00 H new ATOM 644 N THR A 46 -14.555 5.654 -7.885 1.00 0.00 N ATOM 645 CA THR A 46 -13.270 5.050 -7.554 1.00 0.00 C ATOM 646 C THR A 46 -12.808 5.467 -6.162 1.00 0.00 C ATOM 647 O THR A 46 -12.726 6.657 -5.856 1.00 0.00 O ATOM 648 CB THR A 46 -12.187 5.437 -8.579 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.249 6.842 -8.850 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.364 4.658 -9.873 1.00 0.00 C ATOM 0 H THR A 46 -14.662 6.617 -7.567 1.00 0.00 H new ATOM 0 HA THR A 46 -13.413 3.970 -7.578 1.00 0.00 H new ATOM 0 HB THR A 46 -11.213 5.191 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.471 7.324 -8.027 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.588 4.948 -10.581 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.288 3.590 -9.668 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.344 4.877 -10.298 1.00 0.00 H new ATOM 658 N TYR A 47 -12.508 4.482 -5.324 1.00 0.00 N ATOM 659 CA TYR A 47 -12.056 4.747 -3.963 1.00 0.00 C ATOM 660 C TYR A 47 -10.725 5.492 -3.967 1.00 0.00 C ATOM 661 O TYR A 47 -10.076 5.621 -5.004 1.00 0.00 O ATOM 662 CB TYR A 47 -11.919 3.437 -3.185 1.00 0.00 C ATOM 663 CG TYR A 47 -13.198 2.634 -3.120 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.366 3.191 -2.615 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.238 1.318 -3.565 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.537 2.460 -2.554 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.405 0.580 -3.508 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.552 1.156 -3.001 1.00 0.00 C ATOM 669 OH TYR A 47 -16.716 0.425 -2.942 1.00 0.00 O ATOM 0 H TYR A 47 -12.569 3.492 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.801 5.375 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.142 2.829 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.588 3.660 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.359 4.212 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.342 0.864 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.436 2.908 -2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.419 -0.442 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.556 -0.474 -3.297 1.00 0.00 H new ATOM 679 N ASN A 48 -10.325 5.980 -2.797 1.00 0.00 N ATOM 680 CA ASN A 48 -9.071 6.713 -2.664 1.00 0.00 C ATOM 681 C ASN A 48 -8.030 5.880 -1.921 1.00 0.00 C ATOM 682 O ASN A 48 -8.281 5.393 -0.818 1.00 0.00 O ATOM 683 CB ASN A 48 -9.303 8.033 -1.927 1.00 0.00 C ATOM 684 CG ASN A 48 -10.121 9.015 -2.744 1.00 0.00 C ATOM 685 OD1 ASN A 48 -11.307 9.219 -2.484 1.00 0.00 O ATOM 686 ND2 ASN A 48 -9.490 9.628 -3.738 1.00 0.00 N ATOM 0 H ASN A 48 -10.850 5.881 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.695 6.924 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.813 7.835 -0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.341 8.482 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.989 10.299 -4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.506 9.428 -3.918 1.00 0.00 H new ATOM 693 N TYR A 49 -6.862 5.720 -2.533 1.00 0.00 N ATOM 694 CA TYR A 49 -5.784 4.944 -1.932 1.00 0.00 C ATOM 695 C TYR A 49 -4.760 5.859 -1.267 1.00 0.00 C ATOM 696 O TYR A 49 -4.005 6.557 -1.944 1.00 0.00 O ATOM 697 CB TYR A 49 -5.100 4.077 -2.989 1.00 0.00 C ATOM 698 CG TYR A 49 -6.065 3.268 -3.826 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.623 3.795 -4.984 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.418 1.975 -3.459 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.506 3.060 -5.750 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.299 1.231 -4.220 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.840 1.778 -5.365 1.00 0.00 C ATOM 704 OH TYR A 49 -8.718 1.042 -6.127 1.00 0.00 O ATOM 0 H TYR A 49 -6.638 6.117 -3.445 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.218 4.298 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.511 4.717 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.404 3.399 -2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.362 4.797 -5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.996 1.544 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.933 3.486 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.562 0.227 -3.920 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.242 0.654 -6.891 1.00 0.00 H new ATOM 714 N GLU A 50 -4.741 5.849 0.062 1.00 0.00 N ATOM 715 CA GLU A 50 -3.810 6.678 0.818 1.00 0.00 C ATOM 716 C GLU A 50 -2.807 5.815 1.578 1.00 0.00 C ATOM 717 O GLU A 50 -3.147 5.187 2.580 1.00 0.00 O ATOM 718 CB GLU A 50 -4.570 7.576 1.796 1.00 0.00 C ATOM 719 CG GLU A 50 -3.667 8.343 2.747 1.00 0.00 C ATOM 720 CD GLU A 50 -4.377 9.502 3.419 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.854 10.403 2.698 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.455 9.508 4.666 1.00 0.00 O ATOM 0 H GLU A 50 -5.359 5.276 0.637 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.264 7.303 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.174 8.286 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.259 6.964 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.288 7.663 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.804 8.720 2.198 1.00 0.00 H new ATOM 729 N TRP A 51 -1.571 5.790 1.093 1.00 0.00 N ATOM 730 CA TRP A 51 -0.517 5.004 1.725 1.00 0.00 C ATOM 731 C TRP A 51 0.209 5.822 2.787 1.00 0.00 C ATOM 732 O TRP A 51 0.311 7.043 2.681 1.00 0.00 O ATOM 733 CB TRP A 51 0.479 4.510 0.675 1.00 0.00 C ATOM 734 CG TRP A 51 -0.115 3.531 -0.293 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.824 3.824 -1.423 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.053 2.103 -0.214 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.207 2.663 -2.051 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.745 1.594 -1.330 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.521 1.205 0.689 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.878 0.228 -1.564 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.388 -0.151 0.456 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.306 -0.629 -0.663 1.00 0.00 C ATOM 0 H TRP A 51 -1.274 6.305 0.264 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.980 4.144 2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.868 5.365 0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.326 4.044 1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.050 4.821 -1.772 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.748 2.607 -2.914 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.059 1.564 1.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.413 -0.142 -2.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.827 -0.854 1.149 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.391 -1.694 -0.818 1.00 0.00 H new ATOM 753 N ASN A 52 0.712 5.140 3.811 1.00 0.00 N ATOM 754 CA ASN A 52 1.429 5.805 4.893 1.00 0.00 C ATOM 755 C ASN A 52 2.360 4.830 5.608 1.00 0.00 C ATOM 756 O ASN A 52 2.076 3.635 5.697 1.00 0.00 O ATOM 757 CB ASN A 52 0.441 6.410 5.892 1.00 0.00 C ATOM 758 CG ASN A 52 -0.052 7.778 5.462 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.649 8.778 5.616 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.263 7.827 4.921 1.00 0.00 N ATOM 0 H ASN A 52 0.636 4.128 3.914 1.00 0.00 H new ATOM 0 HA ASN A 52 2.031 6.604 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.411 5.740 6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.919 6.489 6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.648 8.720 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.808 6.972 4.813 1.00 0.00 H new ATOM 767 N LEU A 53 3.472 5.348 6.118 1.00 0.00 N ATOM 768 CA LEU A 53 4.446 4.524 6.826 1.00 0.00 C ATOM 769 C LEU A 53 4.286 4.671 8.336 1.00 0.00 C ATOM 770 O LEU A 53 4.476 5.755 8.888 1.00 0.00 O ATOM 771 CB LEU A 53 5.867 4.910 6.412 1.00 0.00 C ATOM 772 CG LEU A 53 6.976 3.952 6.849 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.611 2.518 6.501 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.299 4.339 6.204 1.00 0.00 C ATOM 0 H LEU A 53 3.722 6.335 6.055 1.00 0.00 H new ATOM 0 HA LEU A 53 4.267 3.482 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.897 4.997 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.087 5.898 6.817 1.00 0.00 H new ATOM 0 HG LEU A 53 7.087 4.024 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.412 1.851 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.687 2.244 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.472 2.429 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.077 3.647 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.201 4.296 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.568 5.352 6.504 1.00 0.00 H new ATOM 786 N ILE A 54 3.939 3.572 8.998 1.00 0.00 N ATOM 787 CA ILE A 54 3.757 3.578 10.445 1.00 0.00 C ATOM 788 C ILE A 54 4.857 2.782 11.140 1.00 0.00 C ATOM 789 O ILE A 54 5.190 3.043 12.296 1.00 0.00 O ATOM 790 CB ILE A 54 2.388 2.996 10.843 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.180 1.630 10.185 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.272 3.953 10.453 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.685 1.715 8.758 1.00 0.00 C ATOM 0 H ILE A 54 3.778 2.667 8.556 1.00 0.00 H new ATOM 0 HA ILE A 54 3.807 4.619 10.765 1.00 0.00 H new ATOM 0 HB ILE A 54 2.366 2.865 11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.121 1.080 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.465 1.057 10.775 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.311 3.527 10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.415 4.906 10.963 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.290 4.113 9.375 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.560 0.710 8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.728 2.236 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.410 2.260 8.153 1.00 0.00 H new ATOM 805 N SER A 55 5.419 1.812 10.426 1.00 0.00 N ATOM 806 CA SER A 55 6.480 0.976 10.974 1.00 0.00 C ATOM 807 C SER A 55 7.750 1.090 10.136 1.00 0.00 C ATOM 808 O SER A 55 7.795 0.635 8.992 1.00 0.00 O ATOM 809 CB SER A 55 6.027 -0.484 11.039 1.00 0.00 C ATOM 810 OG SER A 55 6.719 -1.189 12.055 1.00 0.00 O ATOM 0 H SER A 55 5.157 1.586 9.467 1.00 0.00 H new ATOM 0 HA SER A 55 6.699 1.326 11.983 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.954 -0.527 11.228 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.200 -0.965 10.076 1.00 0.00 H new ATOM 0 HG SER A 55 6.410 -2.119 12.077 1.00 0.00 H new ATOM 816 N HIS A 56 8.780 1.700 10.713 1.00 0.00 N ATOM 817 CA HIS A 56 10.051 1.874 10.019 1.00 0.00 C ATOM 818 C HIS A 56 11.146 2.305 10.991 1.00 0.00 C ATOM 819 O HIS A 56 10.886 2.933 12.018 1.00 0.00 O ATOM 820 CB HIS A 56 9.910 2.908 8.902 1.00 0.00 C ATOM 821 CG HIS A 56 9.662 4.298 9.400 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.655 5.250 9.501 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.525 4.897 9.825 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.139 6.373 9.968 1.00 0.00 C ATOM 825 NE2 HIS A 56 8.848 6.185 10.173 1.00 0.00 N ATOM 0 H HIS A 56 8.760 2.082 11.659 1.00 0.00 H new ATOM 0 HA HIS A 56 10.332 0.915 9.583 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.817 2.904 8.298 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.090 2.614 8.247 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.545 4.445 9.880 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.681 7.289 10.151 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.197 6.883 10.532 1.00 0.00 H new ATOM 834 N PRO A 57 12.399 1.960 10.663 1.00 0.00 N ATOM 835 CA PRO A 57 13.558 2.301 11.494 1.00 0.00 C ATOM 836 C PRO A 57 13.861 3.795 11.481 1.00 0.00 C ATOM 837 O PRO A 57 13.349 4.537 10.641 1.00 0.00 O ATOM 838 CB PRO A 57 14.702 1.518 10.845 1.00 0.00 C ATOM 839 CG PRO A 57 14.281 1.335 9.428 1.00 0.00 C ATOM 840 CD PRO A 57 12.783 1.211 9.454 1.00 0.00 C ATOM 0 HA PRO A 57 13.395 2.053 12.543 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.643 2.064 10.911 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.855 0.559 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.592 2.182 8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.739 0.445 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.329 1.635 8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.467 0.169 9.509 1.00 0.00 H new ATOM 848 N THR A 58 14.697 4.233 12.417 1.00 0.00 N ATOM 849 CA THR A 58 15.068 5.639 12.514 1.00 0.00 C ATOM 850 C THR A 58 16.071 6.019 11.430 1.00 0.00 C ATOM 851 O THR A 58 16.119 7.168 10.991 1.00 0.00 O ATOM 852 CB THR A 58 15.671 5.968 13.893 1.00 0.00 C ATOM 853 OG1 THR A 58 15.508 7.361 14.179 1.00 0.00 O ATOM 854 CG2 THR A 58 17.147 5.605 13.938 1.00 0.00 C ATOM 0 H THR A 58 15.130 3.633 13.119 1.00 0.00 H new ATOM 0 HA THR A 58 14.154 6.217 12.379 1.00 0.00 H new ATOM 0 HB THR A 58 15.145 5.380 14.645 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.892 7.562 15.058 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.551 5.846 14.921 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.265 4.538 13.749 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.684 6.170 13.176 1.00 0.00 H new ATOM 862 N ASP A 59 16.869 5.047 11.002 1.00 0.00 N ATOM 863 CA ASP A 59 17.870 5.280 9.967 1.00 0.00 C ATOM 864 C ASP A 59 17.206 5.610 8.634 1.00 0.00 C ATOM 865 O ASP A 59 17.796 6.278 7.784 1.00 0.00 O ATOM 866 CB ASP A 59 18.769 4.052 9.813 1.00 0.00 C ATOM 867 CG ASP A 59 19.331 3.576 11.138 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.226 4.256 11.683 1.00 0.00 O ATOM 869 OD2 ASP A 59 18.875 2.524 11.632 1.00 0.00 O ATOM 0 H ASP A 59 16.842 4.091 11.355 1.00 0.00 H new ATOM 0 HA ASP A 59 18.479 6.132 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.200 3.245 9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.591 4.289 9.137 1.00 0.00 H new ATOM 874 N TYR A 60 15.978 5.137 8.457 1.00 0.00 N ATOM 875 CA TYR A 60 15.236 5.379 7.225 1.00 0.00 C ATOM 876 C TYR A 60 15.209 6.867 6.889 1.00 0.00 C ATOM 877 O TYR A 60 14.988 7.707 7.761 1.00 0.00 O ATOM 878 CB TYR A 60 13.807 4.848 7.354 1.00 0.00 C ATOM 879 CG TYR A 60 12.983 5.016 6.097 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.463 4.586 4.866 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.726 5.607 6.140 1.00 0.00 C ATOM 882 CE1 TYR A 60 12.715 4.738 3.715 1.00 0.00 C ATOM 883 CE2 TYR A 60 10.970 5.762 4.994 1.00 0.00 C ATOM 884 CZ TYR A 60 11.469 5.326 3.784 1.00 0.00 C ATOM 885 OH TYR A 60 10.719 5.480 2.640 1.00 0.00 O ATOM 0 H TYR A 60 15.475 4.584 9.151 1.00 0.00 H new ATOM 0 HA TYR A 60 15.741 4.851 6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.843 3.791 7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.310 5.363 8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.438 4.125 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.333 5.951 7.085 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.103 4.398 2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.994 6.222 5.045 1.00 0.00 H new ATOM 0 HH TYR A 60 9.766 5.444 2.866 1.00 0.00 H new ATOM 934 N ILE A 64 7.965 8.801 1.199 1.00 0.00 N ATOM 935 CA ILE A 64 6.855 8.223 0.452 1.00 0.00 C ATOM 936 C ILE A 64 5.778 9.266 0.173 1.00 0.00 C ATOM 937 O ILE A 64 5.459 10.090 1.030 1.00 0.00 O ATOM 938 CB ILE A 64 6.224 7.039 1.208 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.313 6.106 1.740 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.267 6.281 0.300 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.825 5.156 2.812 1.00 0.00 C ATOM 0 HA ILE A 64 7.263 7.864 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 64 5.660 7.428 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.721 5.527 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.129 6.706 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.829 5.447 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.475 6.951 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.810 5.901 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.650 4.525 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.444 5.727 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.029 4.530 2.409 1.00 0.00 H new ATOM 953 N LYS A 65 5.220 9.224 -1.032 1.00 0.00 N ATOM 954 CA LYS A 65 4.176 10.162 -1.425 1.00 0.00 C ATOM 955 C LYS A 65 2.795 9.619 -1.072 1.00 0.00 C ATOM 956 O LYS A 65 1.789 10.039 -1.644 1.00 0.00 O ATOM 957 CB LYS A 65 4.255 10.446 -2.927 1.00 0.00 C ATOM 958 CG LYS A 65 5.396 11.373 -3.311 1.00 0.00 C ATOM 959 CD LYS A 65 5.180 11.981 -4.687 1.00 0.00 C ATOM 960 CE LYS A 65 6.293 12.953 -5.047 1.00 0.00 C ATOM 961 NZ LYS A 65 5.902 13.854 -6.166 1.00 0.00 N ATOM 0 H LYS A 65 5.474 8.550 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 65 4.333 11.091 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.369 9.503 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.314 10.887 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.485 12.168 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.335 10.820 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.133 11.188 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.221 12.499 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.550 13.551 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.187 12.395 -5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.687 14.501 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.681 13.286 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.064 14.406 -5.891 1.00 0.00 H new ATOM 975 N GLN A 66 2.755 8.686 -0.126 1.00 0.00 N ATOM 976 CA GLN A 66 1.496 8.087 0.302 1.00 0.00 C ATOM 977 C GLN A 66 0.733 7.514 -0.887 1.00 0.00 C ATOM 978 O GLN A 66 -0.490 7.388 -0.850 1.00 0.00 O ATOM 979 CB GLN A 66 0.634 9.124 1.025 1.00 0.00 C ATOM 980 CG GLN A 66 1.291 9.701 2.269 1.00 0.00 C ATOM 981 CD GLN A 66 0.848 11.122 2.556 1.00 0.00 C ATOM 982 OE1 GLN A 66 0.075 11.368 3.483 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.338 12.067 1.762 1.00 0.00 N ATOM 0 H GLN A 66 3.579 8.329 0.358 1.00 0.00 H new ATOM 0 HA GLN A 66 1.725 7.272 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.403 9.937 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.314 8.665 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.054 9.070 3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.374 9.680 2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.976 11.818 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.077 13.042 1.908 1.00 0.00 H new ATOM 992 N GLY A 67 1.465 7.167 -1.942 1.00 0.00 N ATOM 993 CA GLY A 67 0.839 6.611 -3.128 1.00 0.00 C ATOM 994 C GLY A 67 -0.544 7.180 -3.374 1.00 0.00 C ATOM 995 O GLY A 67 -1.544 6.617 -2.927 1.00 0.00 O ATOM 0 H GLY A 67 2.479 7.261 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.470 6.809 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.770 5.528 -3.025 1.00 0.00 H new ATOM 999 N HIS A 68 -0.603 8.300 -4.088 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.875 8.947 -4.392 1.00 0.00 C ATOM 1001 C HIS A 68 -2.716 8.079 -5.323 1.00 0.00 C ATOM 1002 O HIS A 68 -3.856 8.416 -5.642 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.635 10.316 -5.029 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.357 11.400 -4.034 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.827 11.155 -2.784 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.535 12.739 -4.110 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.694 12.298 -2.134 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.116 13.274 -2.917 1.00 0.00 N ATOM 0 H HIS A 68 0.215 8.778 -4.467 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.420 9.081 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.795 10.244 -5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.509 10.591 -5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.933 13.285 -4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.306 12.414 -1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.129 14.265 -2.675 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.146 6.960 -5.757 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.842 6.043 -6.652 1.00 0.00 C ATOM 1019 C LYS A 69 -2.999 4.669 -6.007 1.00 0.00 C ATOM 1020 O LYS A 69 -2.597 4.462 -4.863 1.00 0.00 O ATOM 1021 CB LYS A 69 -2.083 5.914 -7.974 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.391 7.025 -8.963 1.00 0.00 C ATOM 1023 CD LYS A 69 -3.761 6.846 -9.595 1.00 0.00 C ATOM 1024 CE LYS A 69 -3.701 5.926 -10.805 1.00 0.00 C ATOM 1025 NZ LYS A 69 -5.046 5.716 -11.409 1.00 0.00 N ATOM 0 H LYS A 69 -1.203 6.666 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.834 6.449 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.012 5.908 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.326 4.955 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.347 7.988 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.629 7.041 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.452 6.436 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.154 7.817 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.030 6.351 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.281 4.964 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.963 5.084 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.680 5.287 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.436 6.630 -11.714 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.584 3.736 -6.751 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.793 2.382 -6.251 1.00 0.00 C ATOM 1041 C GLN A 70 -2.463 1.658 -6.068 1.00 0.00 C ATOM 1042 O GLN A 70 -2.401 0.601 -5.439 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.689 1.594 -7.209 1.00 0.00 C ATOM 1044 CG GLN A 70 -5.124 0.244 -6.664 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.897 -0.574 -7.679 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.736 -0.046 -8.409 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.619 -1.871 -7.731 1.00 0.00 N ATOM 0 H GLN A 70 -3.921 3.892 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.284 2.452 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.575 2.187 -7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.158 1.443 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.244 -0.316 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.742 0.396 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.916 -2.267 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.108 -2.471 -8.395 1.00 0.00 H new ATOM 1056 N THR A 71 -1.401 2.234 -6.621 1.00 0.00 N ATOM 1057 CA THR A 71 -0.072 1.643 -6.520 1.00 0.00 C ATOM 1058 C THR A 71 0.907 2.603 -5.855 1.00 0.00 C ATOM 1059 O THR A 71 0.853 3.814 -6.075 1.00 0.00 O ATOM 1060 CB THR A 71 0.474 1.250 -7.906 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.028 2.186 -8.893 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.021 -0.151 -8.288 1.00 0.00 C ATOM 0 H THR A 71 -1.435 3.109 -7.144 1.00 0.00 H new ATOM 0 HA THR A 71 -0.170 0.746 -5.908 1.00 0.00 H new ATOM 0 HB THR A 71 1.563 1.264 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.381 1.929 -9.770 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.418 -0.407 -9.270 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.387 -0.866 -7.551 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.068 -0.186 -8.317 1.00 0.00 H new ATOM 1070 N LEU A 72 1.803 2.056 -5.040 1.00 0.00 N ATOM 1071 CA LEU A 72 2.796 2.865 -4.342 1.00 0.00 C ATOM 1072 C LEU A 72 4.210 2.456 -4.743 1.00 0.00 C ATOM 1073 O LEU A 72 4.617 1.313 -4.540 1.00 0.00 O ATOM 1074 CB LEU A 72 2.623 2.726 -2.828 1.00 0.00 C ATOM 1075 CG LEU A 72 3.014 3.946 -1.993 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.392 3.528 -0.581 1.00 0.00 C ATOM 1077 CD2 LEU A 72 4.160 4.699 -2.653 1.00 0.00 C ATOM 0 H LEU A 72 1.862 1.056 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 72 2.644 3.907 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.579 2.489 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.215 1.875 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 72 2.154 4.613 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.667 4.410 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.543 3.034 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.237 2.841 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.425 5.564 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.024 4.041 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.853 5.033 -3.644 1.00 0.00 H new ATOM 1089 N ASN A 73 4.954 3.399 -5.311 1.00 0.00 N ATOM 1090 CA ASN A 73 6.324 3.138 -5.739 1.00 0.00 C ATOM 1091 C ASN A 73 7.322 3.859 -4.839 1.00 0.00 C ATOM 1092 O ASN A 73 7.177 5.050 -4.561 1.00 0.00 O ATOM 1093 CB ASN A 73 6.519 3.579 -7.191 1.00 0.00 C ATOM 1094 CG ASN A 73 6.259 2.456 -8.177 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.017 1.988 -8.226 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.164 2.014 -8.885 1.00 0.00 N flip ATOM 0 H ASN A 73 4.632 4.351 -5.486 1.00 0.00 H new ATOM 0 HA ASN A 73 6.503 2.065 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.850 4.411 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.537 3.946 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.104 2.404 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.974 1.258 -9.543 1.00 0.00 H new ATOM 1103 N LEU A 74 8.335 3.129 -4.385 1.00 0.00 N ATOM 1104 CA LEU A 74 9.359 3.698 -3.516 1.00 0.00 C ATOM 1105 C LEU A 74 10.719 3.702 -4.207 1.00 0.00 C ATOM 1106 O LEU A 74 10.946 2.953 -5.157 1.00 0.00 O ATOM 1107 CB LEU A 74 9.441 2.909 -2.208 1.00 0.00 C ATOM 1108 CG LEU A 74 8.475 3.339 -1.103 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.121 2.673 -1.290 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.050 3.009 0.266 1.00 0.00 C ATOM 0 H LEU A 74 8.469 2.142 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 74 9.082 4.729 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.263 1.857 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.458 2.986 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 74 8.338 4.418 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.446 2.990 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.704 2.960 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.240 1.590 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.349 3.322 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.217 1.935 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.996 3.534 0.399 1.00 0.00 H new ATOM 1122 N SER A 75 11.622 4.548 -3.721 1.00 0.00 N ATOM 1123 CA SER A 75 12.959 4.651 -4.293 1.00 0.00 C ATOM 1124 C SER A 75 13.984 5.001 -3.218 1.00 0.00 C ATOM 1125 O SER A 75 13.625 5.342 -2.092 1.00 0.00 O ATOM 1126 CB SER A 75 12.984 5.706 -5.401 1.00 0.00 C ATOM 1127 OG SER A 75 12.665 6.988 -4.890 1.00 0.00 O ATOM 0 H SER A 75 11.452 5.172 -2.932 1.00 0.00 H new ATOM 0 HA SER A 75 13.221 3.682 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.971 5.730 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.274 5.435 -6.182 1.00 0.00 H new ATOM 0 HG SER A 75 12.689 7.645 -5.617 1.00 0.00 H new ATOM 1133 N GLN A 76 15.261 4.913 -3.576 1.00 0.00 N ATOM 1134 CA GLN A 76 16.338 5.220 -2.643 1.00 0.00 C ATOM 1135 C GLN A 76 16.078 4.581 -1.282 1.00 0.00 C ATOM 1136 O GLN A 76 16.404 5.155 -0.242 1.00 0.00 O ATOM 1137 CB GLN A 76 16.491 6.734 -2.487 1.00 0.00 C ATOM 1138 CG GLN A 76 17.426 7.360 -3.510 1.00 0.00 C ATOM 1139 CD GLN A 76 18.080 8.629 -3.003 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.807 9.081 -1.890 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.951 9.213 -3.818 1.00 0.00 N ATOM 0 H GLN A 76 15.575 4.632 -4.505 1.00 0.00 H new ATOM 0 HA GLN A 76 17.263 4.808 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.509 7.201 -2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.863 6.952 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.199 6.640 -3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.867 7.582 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.148 8.804 -4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.423 10.070 -3.530 1.00 0.00 H new ATOM 1150 N LEU A 77 15.490 3.391 -1.297 1.00 0.00 N ATOM 1151 CA LEU A 77 15.185 2.673 -0.064 1.00 0.00 C ATOM 1152 C LEU A 77 16.449 2.070 0.542 1.00 0.00 C ATOM 1153 O LEU A 77 17.366 1.674 -0.177 1.00 0.00 O ATOM 1154 CB LEU A 77 14.159 1.571 -0.332 1.00 0.00 C ATOM 1155 CG LEU A 77 12.713 2.031 -0.519 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.845 0.880 -1.005 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.164 2.605 0.779 1.00 0.00 C ATOM 0 H LEU A 77 15.215 2.902 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 77 14.767 3.385 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.465 1.027 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.190 0.864 0.497 1.00 0.00 H new ATOM 0 HG LEU A 77 12.696 2.816 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.819 1.226 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.226 0.515 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.867 0.073 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.134 2.927 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.195 1.841 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.770 3.458 1.085 1.00 0.00 H new ATOM 1169 N SER A 78 16.489 2.002 1.869 1.00 0.00 N ATOM 1170 CA SER A 78 17.641 1.449 2.571 1.00 0.00 C ATOM 1171 C SER A 78 17.280 0.134 3.255 1.00 0.00 C ATOM 1172 O SER A 78 16.127 -0.296 3.230 1.00 0.00 O ATOM 1173 CB SER A 78 18.162 2.449 3.606 1.00 0.00 C ATOM 1174 OG SER A 78 18.493 3.686 2.999 1.00 0.00 O ATOM 0 H SER A 78 15.737 2.323 2.479 1.00 0.00 H new ATOM 0 HA SER A 78 18.424 1.254 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.406 2.608 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.040 2.038 4.103 1.00 0.00 H new ATOM 0 HG SER A 78 18.822 4.308 3.682 1.00 0.00 H new ATOM 1180 N VAL A 79 18.276 -0.501 3.865 1.00 0.00 N ATOM 1181 CA VAL A 79 18.065 -1.767 4.557 1.00 0.00 C ATOM 1182 C VAL A 79 17.256 -1.567 5.834 1.00 0.00 C ATOM 1183 O VAL A 79 17.622 -0.769 6.695 1.00 0.00 O ATOM 1184 CB VAL A 79 19.403 -2.443 4.911 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.163 -3.735 5.677 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.217 -2.703 3.652 1.00 0.00 C ATOM 0 H VAL A 79 19.237 -0.159 3.894 1.00 0.00 H new ATOM 0 HA VAL A 79 17.510 -2.412 3.875 1.00 0.00 H new ATOM 0 HB VAL A 79 19.972 -1.770 5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.120 -4.198 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.623 -3.517 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.574 -4.417 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.159 -3.181 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.656 -3.357 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.420 -1.758 3.148 1.00 0.00 H new ATOM 1196 N GLY A 80 16.152 -2.300 5.950 1.00 0.00 N ATOM 1197 CA GLY A 80 15.308 -2.189 7.125 1.00 0.00 C ATOM 1198 C GLY A 80 13.877 -2.607 6.852 1.00 0.00 C ATOM 1199 O GLY A 80 13.506 -2.870 5.707 1.00 0.00 O ATOM 0 H GLY A 80 15.828 -2.968 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.718 -2.808 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.321 -1.159 7.482 1.00 0.00 H new ATOM 1203 N LEU A 81 13.070 -2.672 7.906 1.00 0.00 N ATOM 1204 CA LEU A 81 11.671 -3.063 7.775 1.00 0.00 C ATOM 1205 C LEU A 81 10.794 -1.853 7.469 1.00 0.00 C ATOM 1206 O LEU A 81 11.003 -0.768 8.011 1.00 0.00 O ATOM 1207 CB LEU A 81 11.190 -3.745 9.057 1.00 0.00 C ATOM 1208 CG LEU A 81 9.736 -4.219 9.060 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.563 -5.414 8.135 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.292 -4.568 10.474 1.00 0.00 C ATOM 0 H LEU A 81 13.361 -2.459 8.860 1.00 0.00 H new ATOM 0 HA LEU A 81 11.591 -3.765 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.832 -4.605 9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.327 -3.052 9.887 1.00 0.00 H new ATOM 0 HG LEU A 81 9.108 -3.407 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.522 -5.738 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.841 -5.131 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.202 -6.230 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.255 -4.903 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.924 -5.364 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.378 -3.687 11.110 1.00 0.00 H new ATOM 1222 N TYR A 82 9.809 -2.049 6.599 1.00 0.00 N ATOM 1223 CA TYR A 82 8.900 -0.974 6.220 1.00 0.00 C ATOM 1224 C TYR A 82 7.477 -1.499 6.049 1.00 0.00 C ATOM 1225 O TYR A 82 7.225 -2.386 5.234 1.00 0.00 O ATOM 1226 CB TYR A 82 9.370 -0.311 4.924 1.00 0.00 C ATOM 1227 CG TYR A 82 10.822 0.109 4.952 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.220 1.261 5.620 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.797 -0.646 4.311 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.545 1.649 5.647 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.125 -0.266 4.334 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.494 0.883 5.003 1.00 0.00 C ATOM 1233 OH TYR A 82 14.816 1.265 5.029 1.00 0.00 O ATOM 0 H TYR A 82 9.620 -2.942 6.143 1.00 0.00 H new ATOM 0 HA TYR A 82 8.902 -0.233 7.020 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.216 -1.002 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.751 0.564 4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.480 1.863 6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.512 -1.545 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.837 2.548 6.170 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.870 -0.865 3.831 1.00 0.00 H new ATOM 0 HH TYR A 82 15.362 0.584 4.584 1.00 0.00 H new ATOM 1243 N VAL A 83 6.551 -0.943 6.823 1.00 0.00 N ATOM 1244 CA VAL A 83 5.153 -1.352 6.757 1.00 0.00 C ATOM 1245 C VAL A 83 4.268 -0.210 6.270 1.00 0.00 C ATOM 1246 O VAL A 83 4.118 0.805 6.950 1.00 0.00 O ATOM 1247 CB VAL A 83 4.644 -1.833 8.129 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.205 -2.316 8.025 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.545 -2.929 8.677 1.00 0.00 C ATOM 0 H VAL A 83 6.744 -0.208 7.503 1.00 0.00 H new ATOM 0 HA VAL A 83 5.098 -2.178 6.047 1.00 0.00 H new ATOM 0 HB VAL A 83 4.671 -0.992 8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.862 -2.652 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.571 -1.499 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.149 -3.143 7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.171 -3.257 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.553 -3.773 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.558 -2.544 8.791 1.00 0.00 H new ATOM 1259 N PHE A 84 3.685 -0.384 5.089 1.00 0.00 N ATOM 1260 CA PHE A 84 2.814 0.633 4.510 1.00 0.00 C ATOM 1261 C PHE A 84 1.346 0.260 4.693 1.00 0.00 C ATOM 1262 O PHE A 84 0.927 -0.846 4.353 1.00 0.00 O ATOM 1263 CB PHE A 84 3.125 0.813 3.023 1.00 0.00 C ATOM 1264 CG PHE A 84 4.579 0.644 2.689 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.500 1.623 3.026 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.026 -0.495 2.039 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.838 1.470 2.720 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.364 -0.654 1.730 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.271 0.329 2.072 1.00 0.00 C ATOM 0 H PHE A 84 3.799 -1.219 4.514 1.00 0.00 H new ATOM 0 HA PHE A 84 2.999 1.573 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.543 0.093 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.802 1.806 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.168 2.516 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.321 -1.268 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.545 2.241 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.699 -1.546 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.317 0.206 1.833 1.00 0.00 H new ATOM 1279 N LYS A 85 0.568 1.192 5.234 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.854 0.964 5.463 1.00 0.00 C ATOM 1281 C LYS A 85 -1.700 1.825 4.531 1.00 0.00 C ATOM 1282 O LYS A 85 -1.778 3.042 4.694 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.212 1.268 6.920 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.705 1.251 7.195 1.00 0.00 C ATOM 1285 CD LYS A 85 -3.004 1.485 8.666 1.00 0.00 C ATOM 1286 CE LYS A 85 -3.068 2.969 8.993 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.442 3.517 8.820 1.00 0.00 N ATOM 0 H LYS A 85 0.899 2.113 5.522 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.067 -0.084 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.724 0.538 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.813 2.247 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.195 2.019 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.122 0.292 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.952 1.013 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.235 1.010 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.740 3.129 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.377 3.513 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.522 4.421 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.630 3.671 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.135 2.843 9.202 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.332 1.184 3.553 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.175 1.891 2.596 1.00 0.00 C ATOM 1303 C VAL A 86 -4.582 2.093 3.146 1.00 0.00 C ATOM 1304 O VAL A 86 -5.380 1.157 3.201 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.263 1.133 1.258 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.764 -0.286 1.480 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.161 1.877 0.282 1.00 0.00 C ATOM 0 H VAL A 86 -2.276 0.177 3.403 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.712 2.863 2.425 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.264 1.077 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.820 -0.806 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.078 -0.815 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.754 -0.255 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.211 1.327 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.162 1.967 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.754 2.872 0.099 1.00 0.00 H new ATOM 1317 N THR A 87 -4.882 3.323 3.553 1.00 0.00 N ATOM 1318 CA THR A 87 -6.193 3.648 4.101 1.00 0.00 C ATOM 1319 C THR A 87 -7.168 4.039 2.996 1.00 0.00 C ATOM 1320 O THR A 87 -7.088 5.136 2.443 1.00 0.00 O ATOM 1321 CB THR A 87 -6.105 4.798 5.123 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.854 4.740 5.818 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.250 4.722 6.121 1.00 0.00 C ATOM 0 H THR A 87 -4.235 4.110 3.513 1.00 0.00 H new ATOM 0 HA THR A 87 -6.557 2.752 4.604 1.00 0.00 H new ATOM 0 HB THR A 87 -6.177 5.742 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.805 5.475 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.167 5.543 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.200 4.795 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.204 3.773 6.655 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.089 3.135 2.679 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.082 3.386 1.642 1.00 0.00 C ATOM 1333 C VAL A 88 -10.491 3.406 2.222 1.00 0.00 C ATOM 1334 O VAL A 88 -11.005 2.380 2.667 1.00 0.00 O ATOM 1335 CB VAL A 88 -9.012 2.324 0.529 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.112 2.551 -0.497 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.643 2.336 -0.134 1.00 0.00 C ATOM 0 H VAL A 88 -8.168 2.222 3.126 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.854 4.363 1.217 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.164 1.343 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.046 1.791 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.084 2.487 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.995 3.538 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.612 1.579 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.458 3.318 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.876 2.119 0.610 1.00 0.00 H new ATOM 1347 N SER A 89 -11.112 4.582 2.216 1.00 0.00 N ATOM 1348 CA SER A 89 -12.462 4.736 2.745 1.00 0.00 C ATOM 1349 C SER A 89 -13.308 5.613 1.827 1.00 0.00 C ATOM 1350 O SER A 89 -12.779 6.396 1.038 1.00 0.00 O ATOM 1351 CB SER A 89 -12.415 5.343 4.149 1.00 0.00 C ATOM 1352 OG SER A 89 -12.273 6.752 4.091 1.00 0.00 O ATOM 0 H SER A 89 -10.702 5.441 1.851 1.00 0.00 H new ATOM 0 HA SER A 89 -12.920 3.749 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.327 5.088 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.583 4.913 4.707 1.00 0.00 H new ATOM 0 HG SER A 89 -12.247 7.116 5.001 1.00 0.00 H new ATOM 1358 N SER A 90 -14.625 5.476 1.937 1.00 0.00 N ATOM 1359 CA SER A 90 -15.546 6.252 1.115 1.00 0.00 C ATOM 1360 C SER A 90 -16.629 6.898 1.975 1.00 0.00 C ATOM 1361 O SER A 90 -16.614 6.784 3.200 1.00 0.00 O ATOM 1362 CB SER A 90 -16.188 5.361 0.050 1.00 0.00 C ATOM 1363 OG SER A 90 -17.322 4.686 0.567 1.00 0.00 O ATOM 0 H SER A 90 -15.079 4.835 2.588 1.00 0.00 H new ATOM 0 HA SER A 90 -14.978 7.041 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.481 5.967 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.459 4.634 -0.308 1.00 0.00 H new ATOM 0 HG SER A 90 -17.649 4.042 -0.095 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.568 7.576 1.322 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.658 8.241 2.026 1.00 0.00 C ATOM 1371 C GLU A 91 -19.438 7.248 2.883 1.00 0.00 C ATOM 1372 O GLU A 91 -19.838 7.559 4.004 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.600 8.920 1.029 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.167 7.972 -0.015 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.323 8.579 -0.786 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -22.436 8.654 -0.226 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -21.114 8.978 -1.951 1.00 0.00 O ATOM 0 H GLU A 91 -17.596 7.679 0.308 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.225 8.998 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.423 9.380 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.064 9.724 0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.378 7.691 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.501 7.057 0.474 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.650 6.051 2.346 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.383 5.011 3.060 1.00 0.00 C ATOM 1386 C ASN A 92 -19.574 3.719 3.120 1.00 0.00 C ATOM 1387 O ASN A 92 -20.133 2.623 3.084 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.731 4.752 2.384 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.386 6.028 1.892 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -22.186 7.101 2.462 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -23.174 5.917 0.830 1.00 0.00 N ATOM 0 H ASN A 92 -19.325 5.777 1.419 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.556 5.358 4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.588 4.073 1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.397 4.253 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -23.643 6.741 0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.311 5.007 0.389 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.256 3.856 3.213 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.370 2.701 3.281 1.00 0.00 C ATOM 1400 C ALA A 93 -16.082 3.039 4.024 1.00 0.00 C ATOM 1401 O ALA A 93 -15.792 4.207 4.284 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.057 2.193 1.882 1.00 0.00 C ATOM 0 H ALA A 93 -17.778 4.756 3.243 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.882 1.914 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.394 1.330 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.983 1.902 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.570 2.982 1.309 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.312 2.010 4.363 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.055 2.198 5.077 1.00 0.00 C ATOM 1410 C PHE A 94 -13.207 0.931 5.029 1.00 0.00 C ATOM 1411 O PHE A 94 -13.678 -0.158 5.353 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.324 2.590 6.532 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.117 2.471 7.418 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.859 2.808 6.945 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.241 2.023 8.723 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.746 2.700 7.758 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.132 1.913 9.540 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.883 2.251 9.057 1.00 0.00 C ATOM 0 H PHE A 94 -15.537 1.037 4.154 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.505 3.001 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.687 3.617 6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.120 1.959 6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.747 3.159 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.215 1.757 9.106 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.771 2.966 7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.242 1.563 10.556 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.015 2.164 9.694 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.950 1.082 4.619 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.056 -0.058 4.535 1.00 0.00 C ATOM 1430 C GLY A 95 -9.599 0.337 4.681 1.00 0.00 C ATOM 1431 O GLY A 95 -9.227 1.475 4.400 1.00 0.00 O ATOM 0 H GLY A 95 -11.536 1.973 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.314 -0.777 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.200 -0.559 3.578 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.774 -0.607 5.124 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.351 -0.350 5.310 1.00 0.00 C ATOM 1437 C GLU A 96 -6.529 -1.600 5.007 1.00 0.00 C ATOM 1438 O GLU A 96 -6.979 -2.722 5.232 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.077 0.119 6.740 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.839 1.377 7.124 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.296 2.027 8.382 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -6.298 1.515 8.932 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.870 3.048 8.816 1.00 0.00 O ATOM 0 H GLU A 96 -9.066 -1.555 5.360 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.056 0.436 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.340 -0.681 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.009 0.302 6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.792 2.091 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.890 1.130 7.272 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.319 -1.395 4.494 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.453 -2.513 4.167 1.00 0.00 C ATOM 1452 C GLY A 97 -3.135 -2.462 4.913 1.00 0.00 C ATOM 1453 O GLY A 97 -2.820 -1.466 5.565 1.00 0.00 O ATOM 0 H GLY A 97 -4.924 -0.475 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.965 -3.446 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.260 -2.518 3.094 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.361 -3.539 4.819 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.070 -3.614 5.492 1.00 0.00 C ATOM 1459 C PHE A 98 -0.114 -4.531 4.735 1.00 0.00 C ATOM 1460 O PHE A 98 -0.383 -5.720 4.563 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.248 -4.115 6.927 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.844 -3.092 7.850 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.212 -2.877 7.877 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.036 -2.345 8.692 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.763 -1.936 8.725 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.581 -1.402 9.543 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.947 -1.198 9.560 1.00 0.00 C ATOM 0 H PHE A 98 -2.606 -4.372 4.283 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.641 -2.612 5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.885 -4.999 6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.279 -4.424 7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.855 -3.452 7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.033 -2.501 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.831 -1.777 8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.940 -0.826 10.194 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.376 -0.463 10.225 1.00 0.00 H new ATOM 1477 N VAL A 99 1.003 -3.970 4.284 1.00 0.00 N ATOM 1478 CA VAL A 99 2.000 -4.736 3.546 1.00 0.00 C ATOM 1479 C VAL A 99 3.407 -4.438 4.052 1.00 0.00 C ATOM 1480 O VAL A 99 3.842 -3.288 4.065 1.00 0.00 O ATOM 1481 CB VAL A 99 1.934 -4.435 2.037 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.550 -3.077 1.735 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.628 -5.532 1.244 1.00 0.00 C ATOM 0 H VAL A 99 1.240 -2.987 4.417 1.00 0.00 H new ATOM 0 HA VAL A 99 1.774 -5.790 3.709 1.00 0.00 H new ATOM 0 HB VAL A 99 0.887 -4.407 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.494 -2.882 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.005 -2.302 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.593 -3.072 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.572 -5.303 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.673 -5.594 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.137 -6.486 1.436 1.00 0.00 H new ATOM 1493 N ASN A 100 4.114 -5.484 4.467 1.00 0.00 N ATOM 1494 CA ASN A 100 5.473 -5.335 4.974 1.00 0.00 C ATOM 1495 C ASN A 100 6.497 -5.625 3.880 1.00 0.00 C ATOM 1496 O ASN A 100 6.349 -6.576 3.113 1.00 0.00 O ATOM 1497 CB ASN A 100 5.702 -6.271 6.162 1.00 0.00 C ATOM 1498 CG ASN A 100 4.680 -6.067 7.264 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.517 -5.762 6.998 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.110 -6.236 8.509 1.00 0.00 N ATOM 0 H ASN A 100 3.768 -6.444 4.462 1.00 0.00 H new ATOM 0 HA ASN A 100 5.600 -4.303 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.662 -7.305 5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.702 -6.107 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.467 -6.113 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.083 -6.489 8.683 1.00 0.00 H new ATOM 1507 N VAL A 101 7.535 -4.798 3.815 1.00 0.00 N ATOM 1508 CA VAL A 101 8.585 -4.965 2.817 1.00 0.00 C ATOM 1509 C VAL A 101 9.967 -4.885 3.455 1.00 0.00 C ATOM 1510 O VAL A 101 10.265 -3.957 4.206 1.00 0.00 O ATOM 1511 CB VAL A 101 8.480 -3.900 1.709 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.602 -4.072 0.695 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.121 -3.970 1.029 1.00 0.00 C ATOM 0 H VAL A 101 7.672 -4.005 4.442 1.00 0.00 H new ATOM 0 HA VAL A 101 8.449 -5.952 2.376 1.00 0.00 H new ATOM 0 HB VAL A 101 8.582 -2.915 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.512 -3.311 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.564 -3.967 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.535 -5.061 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.065 -3.211 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.987 -4.956 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.336 -3.793 1.765 1.00 0.00 H new ATOM 1523 N THR A 102 10.811 -5.866 3.149 1.00 0.00 N ATOM 1524 CA THR A 102 12.163 -5.908 3.692 1.00 0.00 C ATOM 1525 C THR A 102 13.200 -5.633 2.609 1.00 0.00 C ATOM 1526 O THR A 102 13.098 -6.144 1.494 1.00 0.00 O ATOM 1527 CB THR A 102 12.465 -7.272 4.341 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.423 -7.620 5.259 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.800 -7.241 5.070 1.00 0.00 C ATOM 0 H THR A 102 10.582 -6.642 2.528 1.00 0.00 H new ATOM 0 HA THR A 102 12.222 -5.130 4.453 1.00 0.00 H new ATOM 0 HB THR A 102 12.517 -8.021 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.622 -8.489 5.666 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.991 -8.215 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.595 -7.005 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.771 -6.480 5.850 1.00 0.00 H new ATOM 1537 N VAL A 103 14.198 -4.821 2.945 1.00 0.00 N ATOM 1538 CA VAL A 103 15.255 -4.479 2.001 1.00 0.00 C ATOM 1539 C VAL A 103 16.579 -5.118 2.404 1.00 0.00 C ATOM 1540 O VAL A 103 17.260 -4.642 3.313 1.00 0.00 O ATOM 1541 CB VAL A 103 15.443 -2.954 1.898 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.622 -2.621 0.996 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.170 -2.293 1.391 1.00 0.00 C ATOM 0 H VAL A 103 14.296 -4.388 3.863 1.00 0.00 H new ATOM 0 HA VAL A 103 14.949 -4.866 1.029 1.00 0.00 H new ATOM 0 HB VAL A 103 15.656 -2.564 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.739 -1.539 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.530 -3.062 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.442 -3.023 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.321 -1.216 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.924 -2.686 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.352 -2.503 2.080 1.00 0.00 H new ATOM 1553 N LYS A 104 16.941 -6.198 1.720 1.00 0.00 N ATOM 1554 CA LYS A 104 18.185 -6.903 2.004 1.00 0.00 C ATOM 1555 C LYS A 104 19.382 -6.139 1.447 1.00 0.00 C ATOM 1556 O LYS A 104 19.282 -5.420 0.453 1.00 0.00 O ATOM 1557 CB LYS A 104 18.144 -8.313 1.410 1.00 0.00 C ATOM 1558 CG LYS A 104 16.928 -9.117 1.835 1.00 0.00 C ATOM 1559 CD LYS A 104 17.167 -9.834 3.153 1.00 0.00 C ATOM 1560 CE LYS A 104 16.149 -10.942 3.377 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.503 -12.180 2.628 1.00 0.00 N ATOM 0 H LYS A 104 16.390 -6.604 0.964 1.00 0.00 H new ATOM 0 HA LYS A 104 18.294 -6.975 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.159 -8.241 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.045 -8.849 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.068 -8.454 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.684 -9.846 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.172 -10.255 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.113 -9.118 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.086 -11.167 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.163 -10.598 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.785 -12.911 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.539 -11.971 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.433 -12.523 2.944 1.00 0.00 H new ATOM 1575 N PRO A 105 20.543 -6.298 2.100 1.00 0.00 N ATOM 1576 CA PRO A 105 21.782 -5.633 1.686 1.00 0.00 C ATOM 1577 C PRO A 105 22.330 -6.191 0.377 1.00 0.00 C ATOM 1578 O PRO A 105 22.021 -7.319 -0.005 1.00 0.00 O ATOM 1579 CB PRO A 105 22.745 -5.929 2.839 1.00 0.00 C ATOM 1580 CG PRO A 105 22.230 -7.186 3.450 1.00 0.00 C ATOM 1581 CD PRO A 105 20.735 -7.140 3.293 1.00 0.00 C ATOM 0 HA PRO A 105 21.632 -4.570 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.766 -6.053 2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.759 -5.114 3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.648 -8.061 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.510 -7.252 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.315 -8.136 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.252 -6.710 4.170 1.00 0.00 H new ATOM 1589 N ALA A 106 23.144 -5.393 -0.305 1.00 0.00 N ATOM 1590 CA ALA A 106 23.737 -5.809 -1.571 1.00 0.00 C ATOM 1591 C ALA A 106 24.602 -7.052 -1.390 1.00 0.00 C ATOM 1592 O ALA A 106 25.696 -6.982 -0.831 1.00 0.00 O ATOM 1593 CB ALA A 106 24.558 -4.675 -2.167 1.00 0.00 C ATOM 0 H ALA A 106 23.408 -4.455 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 106 22.928 -6.058 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.995 -4.999 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.914 -3.813 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.354 -4.399 -1.475 1.00 0.00 H new