USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 523 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 36 TYR OH : rot 180:sc= -0.391 USER MOD Set 1.2: A 46 GLN : amide:sc= -0.391 K(o=-0.78,f=-2.2!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 35 THR OG1 : rot 2:sc= 0.985! USER MOD Set 3.2: A 71 THR OG1 : rot 97:sc= 0.322 USER MOD Set 4.1: A 14 THR OG1 : rot -118:sc= 1.18 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0.759 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 21 SER OG : rot -130:sc= -0.498 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= -0.233 (180deg=-1.21!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0906 USER MOD Single : A 60 SER OG : rot -97:sc= 0.16 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.107 K(o=0.11,f=-0.45) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.000618 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.852 1.779 -7.927 1.00 0.00 N ATOM 109 CA LEU A 8 8.144 0.987 -6.881 1.00 0.00 C ATOM 110 C LEU A 8 9.166 0.171 -6.090 1.00 0.00 C ATOM 111 O LEU A 8 10.290 0.016 -6.525 1.00 0.00 O ATOM 112 CB LEU A 8 7.182 -0.002 -7.588 1.00 0.00 C ATOM 113 CG LEU A 8 5.783 0.628 -7.833 1.00 0.00 C ATOM 114 CD1 LEU A 8 4.959 0.583 -6.545 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.913 2.082 -8.310 1.00 0.00 C ATOM 0 HA LEU A 8 7.599 1.655 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.613 -0.310 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.074 -0.901 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 8 5.280 0.051 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.979 1.026 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.836 -0.453 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.473 1.143 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.920 2.501 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.433 2.668 -7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.478 2.110 -9.242 1.00 0.00 H new ATOM 127 N GLU A 9 8.775 -0.341 -4.947 1.00 0.00 N ATOM 128 CA GLU A 9 9.756 -1.140 -4.160 1.00 0.00 C ATOM 129 C GLU A 9 9.086 -2.230 -3.331 1.00 0.00 C ATOM 130 O GLU A 9 7.970 -2.079 -2.874 1.00 0.00 O ATOM 131 CB GLU A 9 10.489 -0.189 -3.203 1.00 0.00 C ATOM 132 CG GLU A 9 11.913 0.040 -3.712 1.00 0.00 C ATOM 133 CD GLU A 9 12.656 0.949 -2.734 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.031 1.310 -1.750 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.807 1.231 -3.024 1.00 0.00 O ATOM 0 H GLU A 9 7.846 -0.243 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 9 10.437 -1.623 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.957 0.760 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.513 -0.612 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.434 -0.912 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.889 0.494 -4.703 1.00 0.00 H new ATOM 142 N VAL A 10 9.798 -3.317 -3.161 1.00 0.00 N ATOM 143 CA VAL A 10 9.260 -4.452 -2.368 1.00 0.00 C ATOM 144 C VAL A 10 9.922 -4.457 -0.995 1.00 0.00 C ATOM 145 O VAL A 10 11.102 -4.719 -0.881 1.00 0.00 O ATOM 146 CB VAL A 10 9.615 -5.759 -3.097 1.00 0.00 C ATOM 147 CG1 VAL A 10 9.154 -6.949 -2.252 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.899 -5.793 -4.452 1.00 0.00 C ATOM 0 H VAL A 10 10.733 -3.462 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 10 8.180 -4.358 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 10 10.693 -5.813 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.404 -7.878 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.654 -6.923 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.075 -6.894 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.148 -6.718 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.821 -5.744 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.218 -4.942 -5.053 1.00 0.00 H new ATOM 158 N VAL A 11 9.163 -4.166 0.028 1.00 0.00 N ATOM 159 CA VAL A 11 9.769 -4.155 1.387 1.00 0.00 C ATOM 160 C VAL A 11 9.686 -5.512 2.055 1.00 0.00 C ATOM 161 O VAL A 11 10.505 -5.847 2.888 1.00 0.00 O ATOM 162 CB VAL A 11 9.015 -3.132 2.247 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.413 -3.316 3.713 1.00 0.00 C ATOM 164 CG2 VAL A 11 9.396 -1.721 1.795 1.00 0.00 C ATOM 0 H VAL A 11 8.169 -3.940 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 11 10.823 -3.894 1.290 1.00 0.00 H new ATOM 0 HB VAL A 11 7.940 -3.277 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.880 -2.591 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.156 -4.325 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.487 -3.163 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.864 -0.988 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.470 -1.579 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.126 -1.589 0.747 1.00 0.00 H new ATOM 174 N ALA A 12 8.711 -6.269 1.686 1.00 0.00 N ATOM 175 CA ALA A 12 8.573 -7.608 2.298 1.00 0.00 C ATOM 176 C ALA A 12 7.820 -8.548 1.376 1.00 0.00 C ATOM 177 O ALA A 12 6.995 -8.128 0.590 1.00 0.00 O ATOM 178 CB ALA A 12 7.789 -7.467 3.613 1.00 0.00 C ATOM 0 H ALA A 12 8.005 -6.025 0.992 1.00 0.00 H new ATOM 0 HA ALA A 12 9.566 -8.019 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.678 -8.447 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.329 -6.804 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.803 -7.050 3.406 1.00 0.00 H new ATOM 184 N ALA A 13 8.122 -9.807 1.488 1.00 0.00 N ATOM 185 CA ALA A 13 7.441 -10.802 0.631 1.00 0.00 C ATOM 186 C ALA A 13 7.351 -12.140 1.346 1.00 0.00 C ATOM 187 O ALA A 13 8.358 -12.708 1.721 1.00 0.00 O ATOM 188 CB ALA A 13 8.267 -10.981 -0.653 1.00 0.00 C ATOM 0 H ALA A 13 8.811 -10.188 2.137 1.00 0.00 H new ATOM 0 HA ALA A 13 6.434 -10.454 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.781 -11.712 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.340 -10.027 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.267 -11.332 -0.397 1.00 0.00 H new ATOM 194 N THR A 14 6.143 -12.617 1.530 1.00 0.00 N ATOM 195 CA THR A 14 5.961 -13.920 2.222 1.00 0.00 C ATOM 196 C THR A 14 4.951 -14.800 1.452 1.00 0.00 C ATOM 197 O THR A 14 4.098 -14.283 0.757 1.00 0.00 O ATOM 198 CB THR A 14 5.397 -13.636 3.624 1.00 0.00 C ATOM 199 OG1 THR A 14 3.991 -13.656 3.473 1.00 0.00 O ATOM 200 CG2 THR A 14 5.716 -12.199 4.063 1.00 0.00 C ATOM 0 H THR A 14 5.282 -12.159 1.230 1.00 0.00 H new ATOM 0 HA THR A 14 6.916 -14.443 2.277 1.00 0.00 H new ATOM 0 HB THR A 14 5.805 -14.353 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.626 -12.774 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.306 -12.023 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.796 -12.057 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.272 -11.496 3.358 1.00 0.00 H new ATOM 208 N PRO A 15 5.062 -16.132 1.583 1.00 0.00 N ATOM 209 CA PRO A 15 4.143 -17.037 0.889 1.00 0.00 C ATOM 210 C PRO A 15 2.705 -16.868 1.382 1.00 0.00 C ATOM 211 O PRO A 15 1.847 -17.666 1.066 1.00 0.00 O ATOM 212 CB PRO A 15 4.633 -18.456 1.251 1.00 0.00 C ATOM 213 CG PRO A 15 5.769 -18.302 2.304 1.00 0.00 C ATOM 214 CD PRO A 15 6.097 -16.806 2.398 1.00 0.00 C ATOM 0 HA PRO A 15 4.138 -16.839 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.815 -19.053 1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.999 -18.973 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.451 -18.688 3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.650 -18.872 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.071 -16.461 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.097 -16.597 2.017 1.00 0.00 H new ATOM 222 N THR A 16 2.474 -15.837 2.156 1.00 0.00 N ATOM 223 CA THR A 16 1.101 -15.605 2.677 1.00 0.00 C ATOM 224 C THR A 16 0.759 -14.119 2.677 1.00 0.00 C ATOM 225 O THR A 16 -0.279 -13.721 3.170 1.00 0.00 O ATOM 226 CB THR A 16 1.049 -16.122 4.120 1.00 0.00 C ATOM 227 OG1 THR A 16 1.733 -17.358 4.098 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.389 -16.483 4.525 1.00 0.00 C ATOM 0 H THR A 16 3.174 -15.153 2.445 1.00 0.00 H new ATOM 0 HA THR A 16 0.384 -16.124 2.041 1.00 0.00 H new ATOM 0 HB THR A 16 1.456 -15.369 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.738 -17.745 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.397 -16.847 5.552 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.022 -15.599 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.770 -17.260 3.862 1.00 0.00 H new ATOM 236 N SER A 17 1.632 -13.320 2.121 1.00 0.00 N ATOM 237 CA SER A 17 1.357 -11.862 2.089 1.00 0.00 C ATOM 238 C SER A 17 2.496 -11.097 1.418 1.00 0.00 C ATOM 239 O SER A 17 3.641 -11.498 1.490 1.00 0.00 O ATOM 240 CB SER A 17 1.220 -11.372 3.537 1.00 0.00 C ATOM 241 OG SER A 17 2.133 -12.182 4.264 1.00 0.00 O ATOM 0 H SER A 17 2.511 -13.613 1.694 1.00 0.00 H new ATOM 0 HA SER A 17 0.445 -11.686 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.468 -10.314 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.201 -11.492 3.904 1.00 0.00 H new ATOM 0 HG SER A 17 2.110 -11.931 5.211 1.00 0.00 H new ATOM 247 N LEU A 18 2.150 -10.005 0.774 1.00 0.00 N ATOM 248 CA LEU A 18 3.188 -9.182 0.084 1.00 0.00 C ATOM 249 C LEU A 18 3.088 -7.726 0.518 1.00 0.00 C ATOM 250 O LEU A 18 2.070 -7.091 0.328 1.00 0.00 O ATOM 251 CB LEU A 18 2.938 -9.258 -1.433 1.00 0.00 C ATOM 252 CG LEU A 18 4.207 -9.751 -2.133 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.906 -9.970 -3.615 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.304 -8.693 -1.995 1.00 0.00 C ATOM 0 H LEU A 18 1.196 -9.652 0.699 1.00 0.00 H new ATOM 0 HA LEU A 18 4.177 -9.563 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.108 -9.933 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.656 -8.277 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 18 4.539 -10.685 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.805 -10.321 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.116 -10.714 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.581 -9.031 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.209 -9.041 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.972 -7.762 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.513 -8.521 -0.939 1.00 0.00 H new ATOM 266 N LEU A 19 4.153 -7.219 1.091 1.00 0.00 N ATOM 267 CA LEU A 19 4.136 -5.802 1.545 1.00 0.00 C ATOM 268 C LEU A 19 4.802 -4.891 0.515 1.00 0.00 C ATOM 269 O LEU A 19 6.018 -4.826 0.427 1.00 0.00 O ATOM 270 CB LEU A 19 4.921 -5.711 2.881 1.00 0.00 C ATOM 271 CG LEU A 19 4.484 -4.466 3.690 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.542 -4.801 5.179 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.443 -3.310 3.406 1.00 0.00 C ATOM 0 H LEU A 19 5.023 -7.723 1.261 1.00 0.00 H new ATOM 0 HA LEU A 19 3.103 -5.480 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.751 -6.612 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.991 -5.661 2.677 1.00 0.00 H new ATOM 0 HG LEU A 19 3.471 -4.180 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.236 -3.931 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.871 -5.633 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.561 -5.078 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.135 -2.433 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.454 -3.596 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.425 -3.076 2.342 1.00 0.00 H new ATOM 285 N ILE A 20 3.989 -4.196 -0.241 1.00 0.00 N ATOM 286 CA ILE A 20 4.543 -3.283 -1.271 1.00 0.00 C ATOM 287 C ILE A 20 4.528 -1.844 -0.772 1.00 0.00 C ATOM 288 O ILE A 20 3.741 -1.491 0.084 1.00 0.00 O ATOM 289 CB ILE A 20 3.669 -3.383 -2.524 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.260 -2.908 -2.207 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.603 -4.860 -2.959 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.044 -1.522 -2.819 1.00 0.00 C ATOM 0 H ILE A 20 2.971 -4.225 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 20 5.572 -3.568 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 20 4.093 -2.766 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.529 -3.612 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.111 -2.869 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.983 -4.949 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.608 -5.220 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.170 -5.457 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.035 -1.178 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.768 -0.823 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.176 -1.577 -3.900 1.00 0.00 H new ATOM 304 N SER A 21 5.399 -1.038 -1.313 1.00 0.00 N ATOM 305 CA SER A 21 5.446 0.382 -0.879 1.00 0.00 C ATOM 306 C SER A 21 5.804 1.297 -2.043 1.00 0.00 C ATOM 307 O SER A 21 6.595 0.937 -2.899 1.00 0.00 O ATOM 308 CB SER A 21 6.528 0.518 0.208 1.00 0.00 C ATOM 309 OG SER A 21 6.865 -0.825 0.531 1.00 0.00 O ATOM 0 H SER A 21 6.074 -1.300 -2.031 1.00 0.00 H new ATOM 0 HA SER A 21 4.466 0.671 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.394 1.069 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.153 1.055 1.079 1.00 0.00 H new ATOM 0 HG SER A 21 6.838 -0.944 1.503 1.00 0.00 H new ATOM 315 N TRP A 22 5.209 2.469 -2.062 1.00 0.00 N ATOM 316 CA TRP A 22 5.509 3.408 -3.163 1.00 0.00 C ATOM 317 C TRP A 22 5.496 4.856 -2.674 1.00 0.00 C ATOM 318 O TRP A 22 5.828 5.116 -1.533 1.00 0.00 O ATOM 319 CB TRP A 22 4.493 3.181 -4.315 1.00 0.00 C ATOM 320 CG TRP A 22 3.172 3.927 -4.093 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.830 5.038 -4.729 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.191 3.501 -3.331 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.573 5.271 -4.312 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.092 4.338 -3.420 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.130 2.379 -2.530 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.055 4.055 -2.713 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.979 2.097 -1.822 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.113 2.935 -1.913 1.00 0.00 C ATOM 0 H TRP A 22 4.540 2.802 -1.368 1.00 0.00 H new ATOM 0 HA TRP A 22 6.514 3.216 -3.538 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.937 3.508 -5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.292 2.114 -4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.422 5.620 -5.420 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.023 6.070 -4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.983 1.721 -2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.910 4.711 -2.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.933 1.218 -1.196 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -1.012 2.713 -1.358 1.00 0.00 H new ATOM 415 N VAL A 29 -4.415 14.645 -4.240 1.00 0.00 N ATOM 416 CA VAL A 29 -4.617 13.427 -5.059 1.00 0.00 C ATOM 417 C VAL A 29 -6.003 12.852 -4.845 1.00 0.00 C ATOM 418 O VAL A 29 -6.340 12.441 -3.752 1.00 0.00 O ATOM 419 CB VAL A 29 -3.589 12.365 -4.633 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.106 11.611 -5.874 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.400 13.047 -3.965 1.00 0.00 C ATOM 0 HA VAL A 29 -4.498 13.695 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.050 11.669 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.377 10.856 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.954 11.127 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.643 12.312 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.671 12.295 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.936 13.740 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.741 13.595 -3.087 1.00 0.00 H new ATOM 431 N ARG A 30 -6.795 12.825 -5.883 1.00 0.00 N ATOM 432 CA ARG A 30 -8.151 12.270 -5.715 1.00 0.00 C ATOM 433 C ARG A 30 -8.043 10.880 -5.136 1.00 0.00 C ATOM 434 O ARG A 30 -8.718 10.543 -4.184 1.00 0.00 O ATOM 435 CB ARG A 30 -8.837 12.188 -7.089 1.00 0.00 C ATOM 436 CG ARG A 30 -9.216 13.592 -7.557 1.00 0.00 C ATOM 437 CD ARG A 30 -10.278 13.484 -8.655 1.00 0.00 C ATOM 438 NE ARG A 30 -11.625 13.652 -8.042 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.535 14.349 -8.668 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.326 15.620 -8.873 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.623 13.749 -9.068 1.00 0.00 N ATOM 0 H ARG A 30 -6.561 13.158 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.733 12.908 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.169 11.720 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.727 11.562 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.598 14.177 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.336 14.113 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.112 14.247 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.208 12.517 -9.153 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.835 13.226 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.463 16.054 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.026 16.180 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.751 12.753 -8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.345 14.276 -9.559 1.00 0.00 H new ATOM 455 N TYR A 31 -7.190 10.084 -5.724 1.00 0.00 N ATOM 456 CA TYR A 31 -7.026 8.704 -5.207 1.00 0.00 C ATOM 457 C TYR A 31 -6.071 7.863 -6.053 1.00 0.00 C ATOM 458 O TYR A 31 -5.727 8.207 -7.175 1.00 0.00 O ATOM 459 CB TYR A 31 -8.399 8.006 -5.189 1.00 0.00 C ATOM 460 CG TYR A 31 -9.284 8.528 -6.332 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.888 8.390 -7.649 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.505 9.116 -6.062 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.701 8.831 -8.674 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.315 9.555 -7.089 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.919 9.416 -8.402 1.00 0.00 C ATOM 466 OH TYR A 31 -11.728 9.857 -9.428 1.00 0.00 O ATOM 0 H TYR A 31 -6.610 10.328 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.602 8.786 -4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.267 6.928 -5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.890 8.181 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.936 7.934 -7.878 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.828 9.233 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.380 8.717 -9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.267 10.011 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.549 10.242 -9.055 1.00 0.00 H new ATOM 476 N TYR A 32 -5.658 6.771 -5.468 1.00 0.00 N ATOM 477 CA TYR A 32 -4.730 5.839 -6.152 1.00 0.00 C ATOM 478 C TYR A 32 -5.471 4.529 -6.400 1.00 0.00 C ATOM 479 O TYR A 32 -6.416 4.231 -5.700 1.00 0.00 O ATOM 480 CB TYR A 32 -3.542 5.541 -5.197 1.00 0.00 C ATOM 481 CG TYR A 32 -2.277 6.319 -5.615 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.075 7.618 -5.182 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.286 5.706 -6.367 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.904 8.287 -5.491 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.114 6.384 -6.673 1.00 0.00 C ATOM 486 CZ TYR A 32 0.079 7.679 -6.233 1.00 0.00 C ATOM 487 OH TYR A 32 1.248 8.350 -6.514 1.00 0.00 O ATOM 0 H TYR A 32 -5.932 6.485 -4.528 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.375 6.271 -7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.816 5.810 -4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.331 4.472 -5.199 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.837 8.113 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.427 4.694 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.761 9.300 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.651 5.896 -7.258 1.00 0.00 H new ATOM 0 HH TYR A 32 1.835 7.775 -7.047 1.00 0.00 H new ATOM 497 N ARG A 33 -5.054 3.778 -7.385 1.00 0.00 N ATOM 498 CA ARG A 33 -5.755 2.482 -7.663 1.00 0.00 C ATOM 499 C ARG A 33 -4.748 1.378 -7.901 1.00 0.00 C ATOM 500 O ARG A 33 -4.106 1.333 -8.929 1.00 0.00 O ATOM 501 CB ARG A 33 -6.625 2.640 -8.916 1.00 0.00 C ATOM 502 CG ARG A 33 -7.554 1.429 -9.046 1.00 0.00 C ATOM 503 CD ARG A 33 -8.636 1.720 -10.088 1.00 0.00 C ATOM 504 NE ARG A 33 -9.946 1.830 -9.394 1.00 0.00 N ATOM 505 CZ ARG A 33 -11.042 1.577 -10.051 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.099 1.876 -11.319 1.00 0.00 N ATOM 507 NH2 ARG A 33 -12.045 1.032 -9.417 1.00 0.00 N ATOM 0 H ARG A 33 -4.272 3.997 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.372 2.223 -6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.211 3.557 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.995 2.726 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.981 0.549 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.013 1.206 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.411 2.645 -10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.668 0.924 -10.832 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.986 2.101 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.294 2.300 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.949 1.685 -11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.962 0.812 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.912 0.826 -9.914 1.00 0.00 H new ATOM 521 N ILE A 34 -4.633 0.496 -6.942 1.00 0.00 N ATOM 522 CA ILE A 34 -3.670 -0.619 -7.086 1.00 0.00 C ATOM 523 C ILE A 34 -4.353 -1.904 -7.542 1.00 0.00 C ATOM 524 O ILE A 34 -5.091 -2.519 -6.793 1.00 0.00 O ATOM 525 CB ILE A 34 -3.023 -0.870 -5.725 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.142 0.314 -5.348 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.142 -2.125 -5.829 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.164 0.494 -3.830 1.00 0.00 C ATOM 0 H ILE A 34 -5.165 0.505 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.932 -0.342 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.797 -1.003 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.121 0.147 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.499 1.219 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.671 -2.320 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.757 -2.979 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.372 -1.967 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.535 1.340 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.186 0.679 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.787 -0.409 -3.351 1.00 0.00 H new ATOM 540 N THR A 35 -4.093 -2.277 -8.773 1.00 0.00 N ATOM 541 CA THR A 35 -4.702 -3.519 -9.326 1.00 0.00 C ATOM 542 C THR A 35 -3.620 -4.545 -9.570 1.00 0.00 C ATOM 543 O THR A 35 -2.582 -4.218 -10.114 1.00 0.00 O ATOM 544 CB THR A 35 -5.369 -3.192 -10.669 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.309 -2.853 -11.538 1.00 0.00 O ATOM 546 CG2 THR A 35 -6.208 -1.916 -10.569 1.00 0.00 C ATOM 0 H THR A 35 -3.484 -1.771 -9.416 1.00 0.00 H new ATOM 0 HA THR A 35 -5.435 -3.909 -8.620 1.00 0.00 H new ATOM 0 HB THR A 35 -5.990 -4.030 -10.985 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.456 -2.945 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.669 -1.707 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.985 -2.050 -9.817 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.568 -1.081 -10.285 1.00 0.00 H new ATOM 554 N TYR A 36 -3.865 -5.769 -9.168 1.00 0.00 N ATOM 555 CA TYR A 36 -2.837 -6.811 -9.384 1.00 0.00 C ATOM 556 C TYR A 36 -3.457 -8.099 -9.879 1.00 0.00 C ATOM 557 O TYR A 36 -4.624 -8.376 -9.634 1.00 0.00 O ATOM 558 CB TYR A 36 -2.112 -7.072 -8.049 1.00 0.00 C ATOM 559 CG TYR A 36 -3.116 -7.522 -6.982 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.035 -6.633 -6.455 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.104 -8.820 -6.516 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.923 -7.039 -5.482 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.992 -9.223 -5.541 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.908 -8.336 -5.017 1.00 0.00 C ATOM 565 OH TYR A 36 -5.795 -8.739 -4.039 1.00 0.00 O ATOM 0 H TYR A 36 -4.721 -6.080 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.136 -6.461 -10.141 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.347 -7.837 -8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.602 -6.166 -7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.057 -5.613 -6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.393 -9.527 -6.918 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.637 -6.335 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.970 -10.242 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.645 -9.685 -3.831 1.00 0.00 H new ATOM 575 N GLY A 37 -2.664 -8.856 -10.593 1.00 0.00 N ATOM 576 CA GLY A 37 -3.156 -10.146 -11.135 1.00 0.00 C ATOM 577 C GLY A 37 -2.030 -10.860 -11.883 1.00 0.00 C ATOM 578 O GLY A 37 -1.156 -10.227 -12.443 1.00 0.00 O ATOM 0 H GLY A 37 -1.696 -8.631 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.522 -10.775 -10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.997 -9.971 -11.806 1.00 0.00 H new ATOM 582 N GLU A 38 -2.067 -12.162 -11.875 1.00 0.00 N ATOM 583 CA GLU A 38 -1.011 -12.920 -12.578 1.00 0.00 C ATOM 584 C GLU A 38 -1.370 -13.110 -14.045 1.00 0.00 C ATOM 585 O GLU A 38 -2.511 -13.365 -14.376 1.00 0.00 O ATOM 586 CB GLU A 38 -0.869 -14.303 -11.915 1.00 0.00 C ATOM 587 CG GLU A 38 -2.127 -14.620 -11.092 1.00 0.00 C ATOM 588 CD GLU A 38 -3.363 -14.524 -11.990 1.00 0.00 C ATOM 589 OE1 GLU A 38 -3.320 -15.149 -13.038 1.00 0.00 O ATOM 590 OE2 GLU A 38 -4.280 -13.833 -11.579 1.00 0.00 O ATOM 0 H GLU A 38 -2.780 -12.727 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.075 -12.364 -12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.720 -15.068 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.011 -14.319 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.052 -15.620 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.215 -13.923 -10.259 1.00 0.00 H new ATOM 597 N THR A 39 -0.392 -12.984 -14.901 1.00 0.00 N ATOM 598 CA THR A 39 -0.664 -13.156 -16.352 1.00 0.00 C ATOM 599 C THR A 39 -1.027 -14.601 -16.669 1.00 0.00 C ATOM 600 O THR A 39 -0.335 -15.519 -16.273 1.00 0.00 O ATOM 601 CB THR A 39 0.602 -12.784 -17.135 1.00 0.00 C ATOM 602 OG1 THR A 39 0.822 -11.414 -16.861 1.00 0.00 O ATOM 603 CG2 THR A 39 0.341 -12.840 -18.647 1.00 0.00 C ATOM 0 H THR A 39 0.576 -12.771 -14.659 1.00 0.00 H new ATOM 0 HA THR A 39 -1.500 -12.515 -16.632 1.00 0.00 H new ATOM 0 HB THR A 39 1.417 -13.454 -16.862 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.625 -11.111 -17.334 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.251 -12.573 -19.184 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.038 -13.849 -18.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.452 -12.138 -18.906 1.00 0.00 H new ATOM 664 N VAL A 45 -6.798 -10.804 -10.438 1.00 0.00 N ATOM 665 CA VAL A 45 -7.245 -10.988 -9.039 1.00 0.00 C ATOM 666 C VAL A 45 -8.246 -9.925 -8.655 1.00 0.00 C ATOM 667 O VAL A 45 -9.437 -10.169 -8.641 1.00 0.00 O ATOM 668 CB VAL A 45 -6.033 -10.883 -8.109 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.503 -11.030 -6.660 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.039 -11.998 -8.448 1.00 0.00 C ATOM 0 HA VAL A 45 -7.715 -11.967 -8.948 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.546 -9.916 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.646 -10.957 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.215 -10.238 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.983 -12.000 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.174 -11.927 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.520 -12.967 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.715 -11.894 -9.484 1.00 0.00 H new ATOM 680 N GLN A 46 -7.755 -8.758 -8.359 1.00 0.00 N ATOM 681 CA GLN A 46 -8.688 -7.658 -7.968 1.00 0.00 C ATOM 682 C GLN A 46 -7.956 -6.332 -7.817 1.00 0.00 C ATOM 683 O GLN A 46 -6.817 -6.195 -8.217 1.00 0.00 O ATOM 684 CB GLN A 46 -9.344 -8.017 -6.614 1.00 0.00 C ATOM 685 CG GLN A 46 -8.382 -7.671 -5.473 1.00 0.00 C ATOM 686 CD GLN A 46 -8.698 -8.552 -4.260 1.00 0.00 C ATOM 687 OE1 GLN A 46 -8.710 -9.764 -4.347 1.00 0.00 O ATOM 688 NE2 GLN A 46 -8.955 -7.984 -3.112 1.00 0.00 N ATOM 0 H GLN A 46 -6.764 -8.515 -8.369 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.437 -7.551 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.279 -7.470 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.590 -9.078 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.351 -7.827 -5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.478 -6.618 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.946 -6.967 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.164 -8.557 -2.295 1.00 0.00 H new ATOM 697 N GLU A 47 -8.631 -5.372 -7.241 1.00 0.00 N ATOM 698 CA GLU A 47 -8.001 -4.045 -7.053 1.00 0.00 C ATOM 699 C GLU A 47 -8.612 -3.316 -5.860 1.00 0.00 C ATOM 700 O GLU A 47 -9.609 -3.742 -5.312 1.00 0.00 O ATOM 701 CB GLU A 47 -8.265 -3.207 -8.312 1.00 0.00 C ATOM 702 CG GLU A 47 -9.754 -3.281 -8.660 1.00 0.00 C ATOM 703 CD GLU A 47 -9.936 -4.113 -9.930 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.626 -5.291 -9.853 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.376 -3.525 -10.904 1.00 0.00 O ATOM 0 H GLU A 47 -9.587 -5.455 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.934 -4.181 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.969 -2.172 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.666 -3.578 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.310 -3.728 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.155 -2.278 -8.808 1.00 0.00 H new ATOM 712 N PHE A 48 -8.000 -2.226 -5.481 1.00 0.00 N ATOM 713 CA PHE A 48 -8.531 -1.454 -4.328 1.00 0.00 C ATOM 714 C PHE A 48 -8.024 -0.022 -4.377 1.00 0.00 C ATOM 715 O PHE A 48 -6.839 0.217 -4.513 1.00 0.00 O ATOM 716 CB PHE A 48 -8.077 -2.117 -3.017 1.00 0.00 C ATOM 717 CG PHE A 48 -6.572 -2.387 -3.047 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.080 -3.534 -3.638 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.686 -1.513 -2.438 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.729 -3.808 -3.617 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.332 -1.791 -2.419 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.857 -2.940 -3.008 1.00 0.00 C ATOM 0 H PHE A 48 -7.162 -1.842 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.620 -1.444 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.320 -1.472 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.617 -3.052 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.759 -4.222 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.055 -0.610 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.355 -4.709 -4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.647 -1.106 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.800 -3.159 -2.991 1.00 0.00 H new ATOM 732 N THR A 49 -8.933 0.909 -4.260 1.00 0.00 N ATOM 733 CA THR A 49 -8.526 2.336 -4.301 1.00 0.00 C ATOM 734 C THR A 49 -8.336 2.926 -2.911 1.00 0.00 C ATOM 735 O THR A 49 -8.807 2.391 -1.928 1.00 0.00 O ATOM 736 CB THR A 49 -9.622 3.123 -5.010 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.818 2.779 -4.345 1.00 0.00 O ATOM 738 CG2 THR A 49 -9.817 2.618 -6.445 1.00 0.00 C ATOM 0 H THR A 49 -9.932 0.741 -4.139 1.00 0.00 H new ATOM 0 HA THR A 49 -7.572 2.399 -4.824 1.00 0.00 H new ATOM 0 HB THR A 49 -9.373 4.184 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.569 3.257 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.604 3.195 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.887 2.734 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.099 1.565 -6.425 1.00 0.00 H new ATOM 746 N VAL A 50 -7.642 4.035 -2.868 1.00 0.00 N ATOM 747 CA VAL A 50 -7.392 4.703 -1.572 1.00 0.00 C ATOM 748 C VAL A 50 -7.258 6.232 -1.789 1.00 0.00 C ATOM 749 O VAL A 50 -6.832 6.659 -2.844 1.00 0.00 O ATOM 750 CB VAL A 50 -6.060 4.165 -1.004 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.187 2.660 -0.763 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.929 4.423 -2.012 1.00 0.00 C ATOM 0 H VAL A 50 -7.240 4.502 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.216 4.506 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.833 4.672 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.249 2.275 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.990 2.472 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.412 2.158 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.990 4.043 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.154 3.915 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.840 5.494 -2.192 1.00 0.00 H new ATOM 762 N PRO A 51 -7.624 7.042 -0.785 1.00 0.00 N ATOM 763 CA PRO A 51 -7.524 8.502 -0.918 1.00 0.00 C ATOM 764 C PRO A 51 -6.084 8.963 -1.210 1.00 0.00 C ATOM 765 O PRO A 51 -5.796 10.143 -1.175 1.00 0.00 O ATOM 766 CB PRO A 51 -7.965 9.056 0.457 1.00 0.00 C ATOM 767 CG PRO A 51 -8.310 7.838 1.365 1.00 0.00 C ATOM 768 CD PRO A 51 -8.171 6.573 0.504 1.00 0.00 C ATOM 0 HA PRO A 51 -8.136 8.855 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.169 9.653 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.830 9.709 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.638 7.795 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.323 7.926 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.506 5.848 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.134 6.081 0.368 1.00 0.00 H new ATOM 776 N GLY A 52 -5.212 8.031 -1.495 1.00 0.00 N ATOM 777 CA GLY A 52 -3.800 8.418 -1.787 1.00 0.00 C ATOM 778 C GLY A 52 -3.097 8.840 -0.496 1.00 0.00 C ATOM 779 O GLY A 52 -2.032 9.424 -0.525 1.00 0.00 O ATOM 0 H GLY A 52 -5.412 7.032 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.271 7.581 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.780 9.237 -2.506 1.00 0.00 H new ATOM 783 N SER A 53 -3.716 8.535 0.614 1.00 0.00 N ATOM 784 CA SER A 53 -3.112 8.904 1.917 1.00 0.00 C ATOM 785 C SER A 53 -2.140 7.829 2.381 1.00 0.00 C ATOM 786 O SER A 53 -1.182 8.110 3.076 1.00 0.00 O ATOM 787 CB SER A 53 -4.240 9.031 2.949 1.00 0.00 C ATOM 788 OG SER A 53 -4.130 10.365 3.422 1.00 0.00 O ATOM 0 H SER A 53 -4.610 8.048 0.670 1.00 0.00 H new ATOM 0 HA SER A 53 -2.570 9.843 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.215 8.847 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.122 8.310 3.758 1.00 0.00 H new ATOM 0 HG SER A 53 -4.824 10.532 4.093 1.00 0.00 H new ATOM 794 N LYS A 54 -2.410 6.612 1.995 1.00 0.00 N ATOM 795 CA LYS A 54 -1.515 5.502 2.403 1.00 0.00 C ATOM 796 C LYS A 54 -0.292 5.451 1.499 1.00 0.00 C ATOM 797 O LYS A 54 -0.408 5.252 0.306 1.00 0.00 O ATOM 798 CB LYS A 54 -2.288 4.173 2.261 1.00 0.00 C ATOM 799 CG LYS A 54 -2.537 3.559 3.647 1.00 0.00 C ATOM 800 CD LYS A 54 -3.571 4.403 4.402 1.00 0.00 C ATOM 801 CE LYS A 54 -4.001 3.655 5.667 1.00 0.00 C ATOM 802 NZ LYS A 54 -4.502 2.293 5.324 1.00 0.00 N ATOM 0 H LYS A 54 -3.207 6.343 1.418 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.193 5.658 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.238 4.348 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.721 3.477 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.894 2.534 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.605 3.517 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.146 5.372 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.436 4.595 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.159 3.577 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.781 4.217 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.268 2.030 5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.863 2.291 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.725 1.606 5.407 1.00 0.00 H new ATOM 816 N SER A 55 0.859 5.631 2.079 1.00 0.00 N ATOM 817 CA SER A 55 2.093 5.595 1.264 1.00 0.00 C ATOM 818 C SER A 55 2.497 4.158 0.979 1.00 0.00 C ATOM 819 O SER A 55 3.302 3.893 0.109 1.00 0.00 O ATOM 820 CB SER A 55 3.216 6.282 2.054 1.00 0.00 C ATOM 821 OG SER A 55 3.718 7.265 1.161 1.00 0.00 O ATOM 0 H SER A 55 0.995 5.800 3.076 1.00 0.00 H new ATOM 0 HA SER A 55 1.917 6.106 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.839 6.733 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.992 5.573 2.343 1.00 0.00 H new ATOM 0 HG SER A 55 4.447 7.758 1.593 1.00 0.00 H new ATOM 827 N THR A 56 1.922 3.256 1.720 1.00 0.00 N ATOM 828 CA THR A 56 2.247 1.822 1.522 1.00 0.00 C ATOM 829 C THR A 56 1.013 0.960 1.748 1.00 0.00 C ATOM 830 O THR A 56 -0.036 1.459 2.105 1.00 0.00 O ATOM 831 CB THR A 56 3.317 1.421 2.541 1.00 0.00 C ATOM 832 OG1 THR A 56 2.671 1.472 3.797 1.00 0.00 O ATOM 833 CG2 THR A 56 4.419 2.487 2.629 1.00 0.00 C ATOM 0 H THR A 56 1.241 3.451 2.454 1.00 0.00 H new ATOM 0 HA THR A 56 2.603 1.673 0.503 1.00 0.00 H new ATOM 0 HB THR A 56 3.744 0.456 2.268 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.305 1.222 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.167 2.178 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.891 2.603 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.982 3.437 2.936 1.00 0.00 H new ATOM 841 N ALA A 57 1.156 -0.321 1.539 1.00 0.00 N ATOM 842 CA ALA A 57 -0.007 -1.219 1.741 1.00 0.00 C ATOM 843 C ALA A 57 0.404 -2.684 1.646 1.00 0.00 C ATOM 844 O ALA A 57 1.445 -3.007 1.101 1.00 0.00 O ATOM 845 CB ALA A 57 -1.043 -0.928 0.640 1.00 0.00 C ATOM 0 H ALA A 57 2.019 -0.776 1.241 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.421 -1.038 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.907 -1.580 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.360 0.113 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.596 -1.111 -0.337 1.00 0.00 H new ATOM 851 N THR A 58 -0.426 -3.541 2.188 1.00 0.00 N ATOM 852 CA THR A 58 -0.127 -4.999 2.155 1.00 0.00 C ATOM 853 C THR A 58 -1.247 -5.751 1.452 1.00 0.00 C ATOM 854 O THR A 58 -2.404 -5.405 1.587 1.00 0.00 O ATOM 855 CB THR A 58 -0.017 -5.503 3.597 1.00 0.00 C ATOM 856 OG1 THR A 58 1.317 -5.244 3.983 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.145 -7.033 3.653 1.00 0.00 C ATOM 0 H THR A 58 -1.299 -3.289 2.652 1.00 0.00 H new ATOM 0 HA THR A 58 0.805 -5.167 1.615 1.00 0.00 H new ATOM 0 HB THR A 58 -0.785 -5.033 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.455 -5.544 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.064 -7.367 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.113 -7.332 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.650 -7.487 3.062 1.00 0.00 H new ATOM 865 N ILE A 59 -0.880 -6.770 0.714 1.00 0.00 N ATOM 866 CA ILE A 59 -1.909 -7.565 -0.011 1.00 0.00 C ATOM 867 C ILE A 59 -1.661 -9.058 0.163 1.00 0.00 C ATOM 868 O ILE A 59 -0.590 -9.471 0.563 1.00 0.00 O ATOM 869 CB ILE A 59 -1.828 -7.230 -1.514 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.234 -5.840 -1.730 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.256 -7.248 -2.094 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.184 -5.552 -3.231 1.00 0.00 C ATOM 0 H ILE A 59 0.083 -7.081 0.585 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.890 -7.317 0.393 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.192 -7.965 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.838 -5.089 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.233 -5.787 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.220 -7.013 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.692 -8.237 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.867 -6.507 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.761 -4.561 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.563 -6.299 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.193 -5.590 -3.643 1.00 0.00 H new ATOM 884 N SER A 60 -2.661 -9.839 -0.143 1.00 0.00 N ATOM 885 CA SER A 60 -2.513 -11.309 -0.007 1.00 0.00 C ATOM 886 C SER A 60 -3.251 -12.025 -1.133 1.00 0.00 C ATOM 887 O SER A 60 -3.707 -11.402 -2.070 1.00 0.00 O ATOM 888 CB SER A 60 -3.127 -11.737 1.337 1.00 0.00 C ATOM 889 OG SER A 60 -2.165 -11.337 2.302 1.00 0.00 O ATOM 0 H SER A 60 -3.570 -9.521 -0.480 1.00 0.00 H new ATOM 0 HA SER A 60 -1.456 -11.570 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.088 -11.252 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.302 -12.812 1.371 1.00 0.00 H new ATOM 0 HG SER A 60 -1.594 -12.100 2.531 1.00 0.00 H new ATOM 895 N GLY A 61 -3.355 -13.322 -1.022 1.00 0.00 N ATOM 896 CA GLY A 61 -4.063 -14.091 -2.085 1.00 0.00 C ATOM 897 C GLY A 61 -3.172 -14.243 -3.320 1.00 0.00 C ATOM 898 O GLY A 61 -3.561 -13.880 -4.413 1.00 0.00 O ATOM 0 H GLY A 61 -2.985 -13.877 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.341 -15.075 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.987 -13.581 -2.357 1.00 0.00 H new ATOM 902 N LEU A 62 -1.992 -14.779 -3.113 1.00 0.00 N ATOM 903 CA LEU A 62 -1.052 -14.969 -4.254 1.00 0.00 C ATOM 904 C LEU A 62 -0.538 -16.408 -4.297 1.00 0.00 C ATOM 905 O LEU A 62 -1.158 -17.302 -3.751 1.00 0.00 O ATOM 906 CB LEU A 62 0.137 -14.007 -4.059 1.00 0.00 C ATOM 907 CG LEU A 62 0.700 -14.176 -2.650 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.227 -14.150 -2.711 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.221 -13.019 -1.786 1.00 0.00 C ATOM 0 H LEU A 62 -1.644 -15.091 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.569 -14.763 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.911 -14.213 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.185 -12.977 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 62 0.364 -15.123 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.633 -14.270 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.580 -14.963 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.558 -13.198 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.618 -13.130 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.570 -12.078 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.868 -13.019 -1.750 1.00 0.00 H new ATOM 921 N LYS A 63 0.585 -16.604 -4.943 1.00 0.00 N ATOM 922 CA LYS A 63 1.155 -17.979 -5.031 1.00 0.00 C ATOM 923 C LYS A 63 2.694 -17.933 -4.876 1.00 0.00 C ATOM 924 O LYS A 63 3.308 -16.924 -5.157 1.00 0.00 O ATOM 925 CB LYS A 63 0.804 -18.558 -6.425 1.00 0.00 C ATOM 926 CG LYS A 63 -0.584 -19.232 -6.368 1.00 0.00 C ATOM 927 CD LYS A 63 -1.333 -18.988 -7.687 1.00 0.00 C ATOM 928 CE LYS A 63 -0.586 -19.674 -8.832 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.487 -20.627 -9.538 1.00 0.00 N ATOM 0 H LYS A 63 1.126 -15.876 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 63 0.741 -18.600 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.804 -17.763 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.559 -19.282 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.472 -20.302 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.159 -18.832 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.349 -19.376 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.413 -17.918 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.215 -18.926 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.283 -20.205 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.968 -21.086 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.821 -21.350 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.303 -20.111 -9.926 1.00 0.00 H new ATOM 943 N PRO A 64 3.300 -19.040 -4.425 1.00 0.00 N ATOM 944 CA PRO A 64 4.756 -19.093 -4.244 1.00 0.00 C ATOM 945 C PRO A 64 5.523 -18.949 -5.564 1.00 0.00 C ATOM 946 O PRO A 64 5.619 -19.885 -6.334 1.00 0.00 O ATOM 947 CB PRO A 64 5.031 -20.497 -3.662 1.00 0.00 C ATOM 948 CG PRO A 64 3.690 -21.286 -3.698 1.00 0.00 C ATOM 949 CD PRO A 64 2.585 -20.283 -4.055 1.00 0.00 C ATOM 0 HA PRO A 64 5.086 -18.274 -3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.795 -21.011 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.405 -20.423 -2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.735 -22.088 -4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.491 -21.751 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.973 -20.647 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.915 -20.117 -3.211 1.00 0.00 H new ATOM 957 N GLY A 65 6.058 -17.778 -5.799 1.00 0.00 N ATOM 958 CA GLY A 65 6.825 -17.560 -7.058 1.00 0.00 C ATOM 959 C GLY A 65 5.922 -17.650 -8.285 1.00 0.00 C ATOM 960 O GLY A 65 5.656 -18.723 -8.788 1.00 0.00 O ATOM 0 H GLY A 65 5.997 -16.971 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.304 -16.582 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.620 -18.302 -7.134 1.00 0.00 H new ATOM 964 N VAL A 66 5.470 -16.518 -8.741 1.00 0.00 N ATOM 965 CA VAL A 66 4.588 -16.516 -9.932 1.00 0.00 C ATOM 966 C VAL A 66 4.617 -15.158 -10.626 1.00 0.00 C ATOM 967 O VAL A 66 4.597 -14.123 -9.981 1.00 0.00 O ATOM 968 CB VAL A 66 3.148 -16.811 -9.477 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.597 -15.593 -8.738 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.276 -17.091 -10.704 1.00 0.00 C ATOM 0 H VAL A 66 5.673 -15.601 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 66 4.938 -17.274 -10.633 1.00 0.00 H new ATOM 0 HB VAL A 66 3.142 -17.679 -8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.577 -15.796 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.220 -15.382 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.601 -14.731 -9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.255 -17.300 -10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.280 -16.220 -11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.672 -17.952 -11.243 1.00 0.00 H new ATOM 980 N ASP A 67 4.677 -15.185 -11.930 1.00 0.00 N ATOM 981 CA ASP A 67 4.707 -13.912 -12.685 1.00 0.00 C ATOM 982 C ASP A 67 3.579 -13.013 -12.219 1.00 0.00 C ATOM 983 O ASP A 67 2.422 -13.351 -12.380 1.00 0.00 O ATOM 984 CB ASP A 67 4.501 -14.225 -14.173 1.00 0.00 C ATOM 985 CG ASP A 67 4.723 -12.953 -14.991 1.00 0.00 C ATOM 986 OD1 ASP A 67 4.088 -11.971 -14.647 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.517 -13.035 -15.914 1.00 0.00 O ATOM 0 H ASP A 67 4.706 -16.032 -12.498 1.00 0.00 H new ATOM 0 HA ASP A 67 5.662 -13.412 -12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.195 -15.003 -14.493 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.494 -14.608 -14.340 1.00 0.00 H new ATOM 992 N TYR A 68 3.931 -11.885 -11.647 1.00 0.00 N ATOM 993 CA TYR A 68 2.880 -10.953 -11.163 1.00 0.00 C ATOM 994 C TYR A 68 3.010 -9.581 -11.795 1.00 0.00 C ATOM 995 O TYR A 68 4.077 -8.994 -11.810 1.00 0.00 O ATOM 996 CB TYR A 68 3.022 -10.810 -9.646 1.00 0.00 C ATOM 997 CG TYR A 68 1.745 -11.329 -8.992 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.547 -10.678 -9.191 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.764 -12.471 -8.223 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.616 -11.165 -8.635 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.601 -12.960 -7.666 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.598 -12.310 -7.867 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.763 -12.800 -7.312 1.00 0.00 O ATOM 0 H TYR A 68 4.892 -11.578 -11.498 1.00 0.00 H new ATOM 0 HA TYR A 68 1.907 -11.361 -11.436 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.886 -11.373 -9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.189 -9.767 -9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.519 -9.778 -9.788 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.697 -12.988 -8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.548 -10.646 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.630 -13.859 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.702 -13.775 -7.232 1.00 0.00 H new ATOM 1013 N THR A 69 1.907 -9.101 -12.308 1.00 0.00 N ATOM 1014 CA THR A 69 1.898 -7.770 -12.953 1.00 0.00 C ATOM 1015 C THR A 69 0.963 -6.843 -12.194 1.00 0.00 C ATOM 1016 O THR A 69 -0.190 -7.178 -11.968 1.00 0.00 O ATOM 1017 CB THR A 69 1.377 -7.934 -14.385 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.065 -9.055 -14.902 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.824 -6.762 -15.270 1.00 0.00 C ATOM 0 H THR A 69 1.009 -9.584 -12.304 1.00 0.00 H new ATOM 0 HA THR A 69 2.904 -7.349 -12.954 1.00 0.00 H new ATOM 0 HB THR A 69 0.290 -8.009 -14.377 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.776 -9.220 -15.824 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.441 -6.903 -16.281 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.436 -5.829 -14.862 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.913 -6.721 -15.297 1.00 0.00 H new ATOM 1027 N ILE A 70 1.477 -5.700 -11.801 1.00 0.00 N ATOM 1028 CA ILE A 70 0.632 -4.727 -11.048 1.00 0.00 C ATOM 1029 C ILE A 70 0.508 -3.424 -11.820 1.00 0.00 C ATOM 1030 O ILE A 70 1.337 -3.108 -12.649 1.00 0.00 O ATOM 1031 CB ILE A 70 1.285 -4.473 -9.655 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.802 -3.023 -9.527 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.478 -5.448 -9.497 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.470 -2.841 -8.162 1.00 0.00 C ATOM 0 H ILE A 70 2.438 -5.404 -11.969 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.370 -5.136 -10.916 1.00 0.00 H new ATOM 0 HB ILE A 70 0.535 -4.633 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.513 -2.807 -10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.977 -2.320 -9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.952 -5.289 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.119 -6.475 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.204 -5.267 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.836 -1.818 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.745 -3.040 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.306 -3.535 -8.070 1.00 0.00 H new ATOM 1046 N THR A 71 -0.532 -2.692 -11.528 1.00 0.00 N ATOM 1047 CA THR A 71 -0.748 -1.402 -12.227 1.00 0.00 C ATOM 1048 C THR A 71 -1.280 -0.351 -11.255 1.00 0.00 C ATOM 1049 O THR A 71 -2.357 -0.507 -10.712 1.00 0.00 O ATOM 1050 CB THR A 71 -1.808 -1.632 -13.317 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.973 -3.034 -13.378 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.297 -1.251 -14.717 1.00 0.00 C ATOM 0 H THR A 71 -1.240 -2.935 -10.835 1.00 0.00 H new ATOM 0 HA THR A 71 0.194 -1.052 -12.648 1.00 0.00 H new ATOM 0 HB THR A 71 -2.696 -1.048 -13.077 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.753 -3.295 -12.846 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.081 -1.431 -15.452 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.023 -0.196 -14.730 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.424 -1.855 -14.963 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.513 0.704 -11.051 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.970 1.779 -10.112 1.00 0.00 C ATOM 1062 C VAL A 72 -1.290 3.057 -10.877 1.00 0.00 C ATOM 1063 O VAL A 72 -0.475 3.553 -11.638 1.00 0.00 O ATOM 1064 CB VAL A 72 0.151 2.076 -9.090 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.450 0.810 -8.286 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.411 2.512 -9.828 1.00 0.00 C ATOM 0 H VAL A 72 0.395 0.862 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.869 1.435 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.171 2.872 -8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.240 1.016 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.450 0.493 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.773 0.018 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.201 2.721 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.734 1.716 -10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.201 3.411 -10.407 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.481 3.561 -10.662 1.00 0.00 N ATOM 1077 CA TYR A 73 -2.901 4.809 -11.358 1.00 0.00 C ATOM 1078 C TYR A 73 -2.970 5.963 -10.369 1.00 0.00 C ATOM 1079 O TYR A 73 -3.571 5.840 -9.317 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.316 4.601 -11.938 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.263 3.755 -13.224 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.701 2.489 -13.226 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.807 4.241 -14.399 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.685 1.731 -14.380 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -4.790 3.479 -15.549 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.229 2.220 -15.548 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.208 1.463 -16.700 1.00 0.00 O ATOM 0 H TYR A 73 -3.177 3.159 -10.034 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.180 5.036 -12.144 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.948 4.108 -11.199 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.771 5.568 -12.152 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.272 2.092 -12.318 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.249 5.226 -14.416 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.242 0.746 -14.367 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.220 3.873 -16.458 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.635 1.962 -17.427 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.353 7.062 -10.723 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.369 8.242 -9.819 1.00 0.00 C ATOM 1099 C ALA A 74 -3.259 9.331 -10.393 1.00 0.00 C ATOM 1100 O ALA A 74 -2.810 10.165 -11.154 1.00 0.00 O ATOM 1101 CB ALA A 74 -0.936 8.781 -9.702 1.00 0.00 C ATOM 0 H ALA A 74 -1.842 7.189 -11.596 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.753 7.948 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.926 9.648 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.288 8.006 -9.292 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.575 9.072 -10.689 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.509 9.312 -10.016 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.433 10.342 -10.538 1.00 0.00 C ATOM 1109 C VAL A 75 -5.492 11.543 -9.611 1.00 0.00 C ATOM 1110 O VAL A 75 -5.806 11.413 -8.438 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.830 9.727 -10.640 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.806 10.786 -11.156 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.791 8.555 -11.622 1.00 0.00 C ATOM 0 H VAL A 75 -4.921 8.633 -9.376 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.077 10.676 -11.513 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.153 9.375 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.804 10.355 -11.231 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.826 11.629 -10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.484 11.129 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.784 8.112 -11.699 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.476 8.912 -12.602 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.086 7.805 -11.265 1.00 0.00 H new ATOM 1123 N THR A 76 -5.191 12.698 -10.156 1.00 0.00 N ATOM 1124 CA THR A 76 -5.220 13.930 -9.333 1.00 0.00 C ATOM 1125 C THR A 76 -6.477 14.743 -9.612 1.00 0.00 C ATOM 1126 O THR A 76 -7.446 14.229 -10.138 1.00 0.00 O ATOM 1127 CB THR A 76 -3.993 14.777 -9.679 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.343 15.477 -10.849 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.813 13.886 -10.098 1.00 0.00 C ATOM 0 H THR A 76 -4.928 12.832 -11.132 1.00 0.00 H new ATOM 0 HA THR A 76 -5.215 13.651 -8.279 1.00 0.00 H new ATOM 0 HB THR A 76 -3.718 15.396 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.594 16.045 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.953 14.511 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.556 13.214 -9.279 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.092 13.300 -10.974 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.404 6.429 -15.790 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.356 5.149 -15.081 1.00 0.00 C ATOM 1268 C PRO A 87 0.943 4.406 -15.356 1.00 0.00 C ATOM 1269 O PRO A 87 1.592 4.636 -16.358 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.541 4.336 -15.638 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.251 5.217 -16.708 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.506 6.554 -16.770 1.00 0.00 C ATOM 0 HA PRO A 87 -0.411 5.298 -14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.192 3.403 -16.080 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.233 4.071 -14.839 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.237 4.725 -17.680 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.297 5.373 -16.444 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.122 6.745 -17.772 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.165 7.384 -16.518 1.00 0.00 H new ATOM 1280 N ILE A 88 1.300 3.523 -14.461 1.00 0.00 N ATOM 1281 CA ILE A 88 2.553 2.759 -14.657 1.00 0.00 C ATOM 1282 C ILE A 88 2.393 1.339 -14.141 1.00 0.00 C ATOM 1283 O ILE A 88 1.798 1.117 -13.105 1.00 0.00 O ATOM 1284 CB ILE A 88 3.669 3.456 -13.881 1.00 0.00 C ATOM 1285 CG1 ILE A 88 5.002 2.778 -14.167 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.367 3.341 -12.379 1.00 0.00 C ATOM 1287 CD1 ILE A 88 6.097 3.465 -13.352 1.00 0.00 C ATOM 0 H ILE A 88 0.779 3.303 -13.612 1.00 0.00 H new ATOM 0 HA ILE A 88 2.793 2.718 -15.720 1.00 0.00 H new ATOM 0 HB ILE A 88 3.724 4.502 -14.183 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.949 1.720 -13.909 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.233 2.836 -15.231 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.155 3.834 -11.811 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.411 3.818 -12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.320 2.289 -12.097 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.055 2.985 -13.552 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.153 4.517 -13.632 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.865 3.384 -12.290 1.00 0.00 H new ATOM 1299 N SER A 89 2.936 0.404 -14.878 1.00 0.00 N ATOM 1300 CA SER A 89 2.838 -1.021 -14.467 1.00 0.00 C ATOM 1301 C SER A 89 4.214 -1.680 -14.463 1.00 0.00 C ATOM 1302 O SER A 89 5.135 -1.196 -15.089 1.00 0.00 O ATOM 1303 CB SER A 89 1.977 -1.743 -15.499 1.00 0.00 C ATOM 1304 OG SER A 89 2.895 -2.100 -16.521 1.00 0.00 O ATOM 0 H SER A 89 3.443 0.570 -15.747 1.00 0.00 H new ATOM 0 HA SER A 89 2.413 -1.077 -13.465 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.494 -2.622 -15.072 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.186 -1.098 -15.881 1.00 0.00 H new ATOM 0 HG SER A 89 2.421 -2.576 -17.234 1.00 0.00 H new ATOM 1310 N ILE A 90 4.330 -2.778 -13.760 1.00 0.00 N ATOM 1311 CA ILE A 90 5.642 -3.479 -13.709 1.00 0.00 C ATOM 1312 C ILE A 90 5.446 -4.988 -13.655 1.00 0.00 C ATOM 1313 O ILE A 90 4.561 -5.479 -12.973 1.00 0.00 O ATOM 1314 CB ILE A 90 6.393 -3.048 -12.448 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.419 -2.980 -11.275 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.003 -1.649 -12.682 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.187 -2.712 -9.974 1.00 0.00 C ATOM 0 H ILE A 90 3.579 -3.214 -13.225 1.00 0.00 H new ATOM 0 HA ILE A 90 6.206 -3.220 -14.605 1.00 0.00 H new ATOM 0 HB ILE A 90 7.182 -3.767 -12.225 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.687 -2.191 -11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.866 -3.916 -11.195 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.541 -1.332 -11.788 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.692 -1.689 -13.525 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.207 -0.936 -12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.486 -2.665 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.902 -3.516 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.719 -1.764 -10.054 1.00 0.00 H new ATOM 1329 N ASN A 91 6.279 -5.696 -14.378 1.00 0.00 N ATOM 1330 CA ASN A 91 6.179 -7.170 -14.397 1.00 0.00 C ATOM 1331 C ASN A 91 7.359 -7.802 -13.662 1.00 0.00 C ATOM 1332 O ASN A 91 8.481 -7.741 -14.125 1.00 0.00 O ATOM 1333 CB ASN A 91 6.224 -7.615 -15.861 1.00 0.00 C ATOM 1334 CG ASN A 91 6.934 -6.542 -16.692 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.336 -5.886 -17.521 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.208 -6.333 -16.500 1.00 0.00 N ATOM 0 H ASN A 91 7.024 -5.305 -14.955 1.00 0.00 H new ATOM 0 HA ASN A 91 5.256 -7.481 -13.907 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.749 -8.566 -15.948 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.213 -7.773 -16.237 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.696 -5.622 -17.045 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.716 -6.881 -15.805 1.00 0.00 H new ATOM 1343 N TYR A 92 7.087 -8.394 -12.526 1.00 0.00 N ATOM 1344 CA TYR A 92 8.187 -9.034 -11.752 1.00 0.00 C ATOM 1345 C TYR A 92 7.700 -10.318 -11.088 1.00 0.00 C ATOM 1346 O TYR A 92 6.599 -10.376 -10.574 1.00 0.00 O ATOM 1347 CB TYR A 92 8.656 -8.041 -10.663 1.00 0.00 C ATOM 1348 CG TYR A 92 9.493 -8.772 -9.595 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.515 -9.632 -9.955 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.249 -8.554 -8.251 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.276 -10.259 -8.989 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.016 -9.183 -7.287 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.031 -10.041 -7.649 1.00 0.00 C ATOM 1354 OH TYR A 92 11.780 -10.686 -6.685 1.00 0.00 O ATOM 0 H TYR A 92 6.160 -8.460 -12.107 1.00 0.00 H new ATOM 0 HA TYR A 92 9.007 -9.284 -12.425 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.248 -7.246 -11.117 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.792 -7.568 -10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.719 -9.814 -11.000 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.453 -7.888 -7.952 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.071 -10.927 -9.285 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.817 -9.000 -6.241 1.00 0.00 H new ATOM 0 HH TYR A 92 11.472 -10.414 -5.795 1.00 0.00 H new ATOM 1364 N ARG A 93 8.526 -11.331 -11.118 1.00 0.00 N ATOM 1365 CA ARG A 93 8.125 -12.615 -10.492 1.00 0.00 C ATOM 1366 C ARG A 93 8.137 -12.498 -8.979 1.00 0.00 C ATOM 1367 O ARG A 93 9.184 -12.388 -8.372 1.00 0.00 O ATOM 1368 CB ARG A 93 9.123 -13.702 -10.926 1.00 0.00 C ATOM 1369 CG ARG A 93 9.364 -13.579 -12.435 1.00 0.00 C ATOM 1370 CD ARG A 93 9.774 -14.944 -12.999 1.00 0.00 C ATOM 1371 NE ARG A 93 8.551 -15.675 -13.437 1.00 0.00 N ATOM 1372 CZ ARG A 93 8.666 -16.706 -14.233 1.00 0.00 C ATOM 1373 NH1 ARG A 93 9.852 -17.044 -14.665 1.00 0.00 N ATOM 1374 NH2 ARG A 93 7.591 -17.363 -14.572 1.00 0.00 N ATOM 0 H ARG A 93 9.452 -11.321 -11.546 1.00 0.00 H new ATOM 0 HA ARG A 93 7.115 -12.872 -10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.062 -13.590 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.732 -14.691 -10.686 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.460 -13.225 -12.931 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.144 -12.843 -12.631 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.456 -14.815 -13.839 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.306 -15.520 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 93 7.630 -15.373 -13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.671 -16.506 -14.381 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.959 -17.846 -15.287 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.681 -17.070 -14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.661 -18.170 -15.192 1.00 0.00 H new ATOM 1388 N THR A 94 6.960 -12.528 -8.396 1.00 0.00 N ATOM 1389 CA THR A 94 6.861 -12.420 -6.914 1.00 0.00 C ATOM 1390 C THR A 94 6.188 -13.649 -6.322 1.00 0.00 C ATOM 1391 O THR A 94 5.441 -14.268 -7.063 1.00 0.00 O ATOM 1392 CB THR A 94 6.018 -11.187 -6.584 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.806 -10.539 -7.823 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.830 -10.180 -5.756 1.00 0.00 C ATOM 1395 OXT THR A 94 6.457 -13.906 -5.160 1.00 0.00 O ATOM 0 H THR A 94 6.070 -12.622 -8.885 1.00 0.00 H new ATOM 0 HA THR A 94 7.863 -12.340 -6.492 1.00 0.00 H new ATOM 0 HB THR A 94 5.117 -11.485 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.266 -9.734 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.212 -9.311 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.149 -10.648 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.706 -9.866 -6.323 1.00 0.00 H new