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 17 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 75:sc= 1.41 USER MOD Set 2.1: A 36 TYR OH : rot 30:sc= -0.772 USER MOD Set 2.2: A 46 GLN : amide:sc= -0.647 K(o=-1.4,f=-6.6!) USER MOD Set 3.1: A 39 THR OG1 : rot 68:sc= 0.0232 USER MOD Set 3.2: A 69 THR OG1 : rot -170:sc= 0.0227 USER MOD Single : A 14 THR OG1 : rot -176:sc= -0.472 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.19! USER MOD Single : A 21 SER OG : rot 130:sc= -1.67 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 35 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.322 USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.184 (180deg=-0.815) USER MOD Single : A 68 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.492 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= -0.0524 K(o=-0.052,f=-7.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0108 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.609 2.903 -5.150 1.00 0.00 N ATOM 109 CA LEU A 8 8.800 1.668 -5.306 1.00 0.00 C ATOM 110 C LEU A 8 9.660 0.440 -5.056 1.00 0.00 C ATOM 111 O LEU A 8 10.696 0.275 -5.670 1.00 0.00 O ATOM 112 CB LEU A 8 8.271 1.616 -6.745 1.00 0.00 C ATOM 113 CG LEU A 8 7.574 2.939 -7.070 1.00 0.00 C ATOM 114 CD1 LEU A 8 8.400 3.703 -8.106 1.00 0.00 C ATOM 115 CD2 LEU A 8 6.185 2.651 -7.640 1.00 0.00 C ATOM 0 HA LEU A 8 7.979 1.679 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.091 1.442 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.574 0.786 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 8 7.480 3.538 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.907 4.646 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.393 3.903 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.489 3.105 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.685 3.591 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.281 2.056 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.597 2.100 -6.906 1.00 0.00 H new ATOM 127 N GLU A 9 9.218 -0.408 -4.163 1.00 0.00 N ATOM 128 CA GLU A 9 10.011 -1.627 -3.870 1.00 0.00 C ATOM 129 C GLU A 9 9.245 -2.583 -2.956 1.00 0.00 C ATOM 130 O GLU A 9 8.292 -2.195 -2.298 1.00 0.00 O ATOM 131 CB GLU A 9 11.296 -1.185 -3.144 1.00 0.00 C ATOM 132 CG GLU A 9 12.251 -2.373 -3.018 1.00 0.00 C ATOM 133 CD GLU A 9 13.621 -1.868 -2.555 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.629 -1.158 -1.562 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.582 -2.218 -3.222 1.00 0.00 O ATOM 0 H GLU A 9 8.353 -0.307 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 9 10.227 -2.145 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.777 -0.376 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.051 -0.796 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.857 -3.098 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.343 -2.885 -3.976 1.00 0.00 H new ATOM 142 N VAL A 10 9.672 -3.824 -2.947 1.00 0.00 N ATOM 143 CA VAL A 10 8.998 -4.830 -2.088 1.00 0.00 C ATOM 144 C VAL A 10 9.653 -4.838 -0.712 1.00 0.00 C ATOM 145 O VAL A 10 10.813 -5.180 -0.581 1.00 0.00 O ATOM 146 CB VAL A 10 9.165 -6.219 -2.727 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.477 -7.266 -1.845 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.511 -6.222 -4.113 1.00 0.00 C ATOM 0 H VAL A 10 10.455 -4.176 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 10 7.941 -4.584 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 10 10.225 -6.454 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.593 -8.253 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.932 -7.263 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.417 -7.029 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.628 -7.205 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.450 -5.991 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.989 -5.472 -4.743 1.00 0.00 H new ATOM 158 N VAL A 11 8.911 -4.464 0.289 1.00 0.00 N ATOM 159 CA VAL A 11 9.494 -4.448 1.653 1.00 0.00 C ATOM 160 C VAL A 11 9.758 -5.852 2.163 1.00 0.00 C ATOM 161 O VAL A 11 10.628 -6.061 2.983 1.00 0.00 O ATOM 162 CB VAL A 11 8.503 -3.754 2.593 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.242 -3.291 3.844 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.907 -2.537 1.884 1.00 0.00 C ATOM 0 H VAL A 11 7.936 -4.172 0.222 1.00 0.00 H new ATOM 0 HA VAL A 11 10.445 -3.917 1.620 1.00 0.00 H new ATOM 0 HB VAL A 11 7.708 -4.447 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.542 -2.796 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.682 -4.152 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.031 -2.593 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.201 -2.039 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.705 -1.844 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.390 -2.860 0.980 1.00 0.00 H new ATOM 174 N ALA A 12 9.012 -6.788 1.670 1.00 0.00 N ATOM 175 CA ALA A 12 9.213 -8.185 2.120 1.00 0.00 C ATOM 176 C ALA A 12 8.069 -9.077 1.673 1.00 0.00 C ATOM 177 O ALA A 12 7.124 -8.627 1.048 1.00 0.00 O ATOM 178 CB ALA A 12 9.277 -8.202 3.657 1.00 0.00 C ATOM 0 H ALA A 12 8.275 -6.650 0.979 1.00 0.00 H new ATOM 0 HA ALA A 12 10.138 -8.561 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.425 -9.225 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.107 -7.581 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.344 -7.812 4.064 1.00 0.00 H new ATOM 184 N ALA A 13 8.179 -10.334 2.001 1.00 0.00 N ATOM 185 CA ALA A 13 7.120 -11.293 1.615 1.00 0.00 C ATOM 186 C ALA A 13 6.871 -12.293 2.731 1.00 0.00 C ATOM 187 O ALA A 13 7.758 -13.023 3.122 1.00 0.00 O ATOM 188 CB ALA A 13 7.592 -12.062 0.374 1.00 0.00 C ATOM 0 H ALA A 13 8.960 -10.734 2.521 1.00 0.00 H new ATOM 0 HA ALA A 13 6.199 -10.745 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.824 -12.775 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.775 -11.361 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.513 -12.597 0.606 1.00 0.00 H new ATOM 194 N THR A 14 5.667 -12.306 3.220 1.00 0.00 N ATOM 195 CA THR A 14 5.332 -13.249 4.310 1.00 0.00 C ATOM 196 C THR A 14 4.647 -14.491 3.727 1.00 0.00 C ATOM 197 O THR A 14 4.173 -14.465 2.606 1.00 0.00 O ATOM 198 CB THR A 14 4.353 -12.533 5.259 1.00 0.00 C ATOM 199 OG1 THR A 14 3.951 -11.377 4.558 1.00 0.00 O ATOM 200 CG2 THR A 14 5.069 -11.983 6.511 1.00 0.00 C ATOM 0 H THR A 14 4.903 -11.705 2.911 1.00 0.00 H new ATOM 0 HA THR A 14 6.235 -13.557 4.838 1.00 0.00 H new ATOM 0 HB THR A 14 3.562 -13.223 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.369 -10.834 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.344 -11.485 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.534 -12.805 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.835 -11.270 6.208 1.00 0.00 H new ATOM 208 N PRO A 15 4.606 -15.567 4.496 1.00 0.00 N ATOM 209 CA PRO A 15 3.977 -16.789 4.029 1.00 0.00 C ATOM 210 C PRO A 15 2.546 -16.516 3.564 1.00 0.00 C ATOM 211 O PRO A 15 1.627 -16.489 4.356 1.00 0.00 O ATOM 212 CB PRO A 15 3.980 -17.736 5.258 1.00 0.00 C ATOM 213 CG PRO A 15 4.677 -16.971 6.425 1.00 0.00 C ATOM 214 CD PRO A 15 5.156 -15.625 5.865 1.00 0.00 C ATOM 0 HA PRO A 15 4.503 -17.220 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.962 -18.013 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.512 -18.660 5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.984 -16.818 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.517 -17.546 6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.796 -14.794 6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.244 -15.565 5.857 1.00 0.00 H new ATOM 222 N THR A 16 2.405 -16.291 2.275 1.00 0.00 N ATOM 223 CA THR A 16 1.056 -16.011 1.693 1.00 0.00 C ATOM 224 C THR A 16 0.666 -14.551 1.902 1.00 0.00 C ATOM 225 O THR A 16 -0.465 -14.246 2.228 1.00 0.00 O ATOM 226 CB THR A 16 0.005 -16.912 2.365 1.00 0.00 C ATOM 227 OG1 THR A 16 0.679 -18.115 2.675 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.075 -17.329 1.354 1.00 0.00 C ATOM 0 H THR A 16 3.171 -16.290 1.602 1.00 0.00 H new ATOM 0 HA THR A 16 1.097 -16.216 0.623 1.00 0.00 H new ATOM 0 HB THR A 16 -0.438 -16.391 3.214 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.058 -18.735 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.809 -17.966 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.570 -16.440 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.613 -17.877 0.533 1.00 0.00 H new ATOM 236 N SER A 17 1.615 -13.675 1.710 1.00 0.00 N ATOM 237 CA SER A 17 1.324 -12.231 1.889 1.00 0.00 C ATOM 238 C SER A 17 2.476 -11.381 1.367 1.00 0.00 C ATOM 239 O SER A 17 3.631 -11.690 1.594 1.00 0.00 O ATOM 240 CB SER A 17 1.132 -11.949 3.384 1.00 0.00 C ATOM 241 OG SER A 17 -0.227 -11.552 3.490 1.00 0.00 O ATOM 0 H SER A 17 2.572 -13.899 1.439 1.00 0.00 H new ATOM 0 HA SER A 17 0.422 -11.979 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.337 -12.834 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.805 -11.165 3.731 1.00 0.00 H new ATOM 0 HG SER A 17 -0.437 -11.352 4.426 1.00 0.00 H new ATOM 247 N LEU A 18 2.131 -10.323 0.678 1.00 0.00 N ATOM 248 CA LEU A 18 3.171 -9.419 0.118 1.00 0.00 C ATOM 249 C LEU A 18 3.026 -8.015 0.677 1.00 0.00 C ATOM 250 O LEU A 18 1.933 -7.578 0.982 1.00 0.00 O ATOM 251 CB LEU A 18 2.972 -9.353 -1.407 1.00 0.00 C ATOM 252 CG LEU A 18 4.175 -9.995 -2.106 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.921 -10.033 -3.613 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.429 -9.161 -1.832 1.00 0.00 C ATOM 0 H LEU A 18 1.169 -10.048 0.480 1.00 0.00 H new ATOM 0 HA LEU A 18 4.157 -9.803 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.055 -9.871 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.863 -8.316 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 18 4.317 -11.007 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.775 -10.489 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.025 -10.619 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.782 -9.018 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.285 -9.617 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.284 -8.150 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.612 -9.121 -0.758 1.00 0.00 H new ATOM 266 N LEU A 19 4.136 -7.335 0.803 1.00 0.00 N ATOM 267 CA LEU A 19 4.100 -5.951 1.340 1.00 0.00 C ATOM 268 C LEU A 19 4.870 -5.014 0.418 1.00 0.00 C ATOM 269 O LEU A 19 6.085 -5.029 0.396 1.00 0.00 O ATOM 270 CB LEU A 19 4.764 -5.950 2.724 1.00 0.00 C ATOM 271 CG LEU A 19 4.137 -4.847 3.579 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.770 -4.864 4.972 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.400 -3.488 2.923 1.00 0.00 C ATOM 0 H LEU A 19 5.063 -7.682 0.556 1.00 0.00 H new ATOM 0 HA LEU A 19 3.067 -5.611 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.632 -6.919 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.837 -5.786 2.626 1.00 0.00 H new ATOM 0 HG LEU A 19 3.063 -5.014 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.325 -4.079 5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.593 -5.832 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.843 -4.693 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.955 -2.699 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.475 -3.323 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.958 -3.473 1.927 1.00 0.00 H new ATOM 285 N ILE A 20 4.143 -4.213 -0.328 1.00 0.00 N ATOM 286 CA ILE A 20 4.815 -3.264 -1.262 1.00 0.00 C ATOM 287 C ILE A 20 4.727 -1.849 -0.732 1.00 0.00 C ATOM 288 O ILE A 20 3.992 -1.577 0.197 1.00 0.00 O ATOM 289 CB ILE A 20 4.110 -3.350 -2.638 1.00 0.00 C ATOM 290 CG1 ILE A 20 3.070 -2.228 -2.797 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.383 -4.707 -2.726 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.200 -2.516 -4.027 1.00 0.00 C ATOM 0 H ILE A 20 3.124 -4.178 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 20 5.868 -3.529 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 20 4.858 -3.247 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.448 -2.163 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.570 -1.266 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.879 -4.788 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.108 -5.515 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.648 -4.778 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.461 -1.723 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.829 -2.559 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.690 -3.471 -3.897 1.00 0.00 H new ATOM 304 N SER A 21 5.474 -0.964 -1.330 1.00 0.00 N ATOM 305 CA SER A 21 5.429 0.432 -0.858 1.00 0.00 C ATOM 306 C SER A 21 5.984 1.393 -1.899 1.00 0.00 C ATOM 307 O SER A 21 7.038 1.165 -2.459 1.00 0.00 O ATOM 308 CB SER A 21 6.281 0.537 0.418 1.00 0.00 C ATOM 309 OG SER A 21 7.285 -0.453 0.250 1.00 0.00 O ATOM 0 H SER A 21 6.102 -1.149 -2.112 1.00 0.00 H new ATOM 0 HA SER A 21 4.390 0.702 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.716 1.531 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.685 0.352 1.311 1.00 0.00 H new ATOM 0 HG SER A 21 8.166 -0.058 0.418 1.00 0.00 H new ATOM 315 N TRP A 22 5.246 2.451 -2.139 1.00 0.00 N ATOM 316 CA TRP A 22 5.692 3.455 -3.133 1.00 0.00 C ATOM 317 C TRP A 22 5.587 4.852 -2.530 1.00 0.00 C ATOM 318 O TRP A 22 5.873 5.030 -1.363 1.00 0.00 O ATOM 319 CB TRP A 22 4.829 3.319 -4.430 1.00 0.00 C ATOM 320 CG TRP A 22 3.418 3.921 -4.269 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.039 5.064 -4.821 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.406 3.336 -3.654 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.731 5.152 -4.517 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.253 4.095 -3.772 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.358 2.136 -2.966 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.073 3.662 -3.204 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.175 1.709 -2.399 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.034 2.471 -2.519 1.00 0.00 C ATOM 0 H TRP A 22 4.356 2.655 -1.685 1.00 0.00 H new ATOM 0 HA TRP A 22 6.735 3.284 -3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.340 3.815 -5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.742 2.265 -4.696 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.640 5.763 -5.384 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.144 5.933 -4.812 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.249 1.532 -2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.822 4.260 -3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.144 0.774 -1.859 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.891 2.133 -2.075 1.00 0.00 H new ATOM 415 N VAL A 29 -3.368 15.172 -4.478 1.00 0.00 N ATOM 416 CA VAL A 29 -3.582 13.738 -4.814 1.00 0.00 C ATOM 417 C VAL A 29 -4.923 13.241 -4.291 1.00 0.00 C ATOM 418 O VAL A 29 -5.117 13.115 -3.098 1.00 0.00 O ATOM 419 CB VAL A 29 -2.463 12.921 -4.139 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.890 11.450 -4.041 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.188 13.023 -4.981 1.00 0.00 C ATOM 0 HA VAL A 29 -3.570 13.623 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.277 13.313 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.098 10.872 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.802 11.375 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.073 11.057 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.393 12.447 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.378 12.628 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.884 14.067 -5.056 1.00 0.00 H new ATOM 431 N ARG A 30 -5.832 12.970 -5.190 1.00 0.00 N ATOM 432 CA ARG A 30 -7.159 12.480 -4.747 1.00 0.00 C ATOM 433 C ARG A 30 -7.023 11.061 -4.221 1.00 0.00 C ATOM 434 O ARG A 30 -7.027 10.838 -3.027 1.00 0.00 O ATOM 435 CB ARG A 30 -8.111 12.481 -5.951 1.00 0.00 C ATOM 436 CG ARG A 30 -8.962 13.749 -5.915 1.00 0.00 C ATOM 437 CD ARG A 30 -10.097 13.568 -4.907 1.00 0.00 C ATOM 438 NE ARG A 30 -11.335 13.182 -5.641 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.459 13.793 -5.373 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.855 13.865 -4.132 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.147 14.311 -6.354 1.00 0.00 N ATOM 0 H ARG A 30 -5.711 13.067 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.549 13.124 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.542 12.436 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.750 11.598 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.347 14.605 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.369 13.956 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.836 12.801 -4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.260 14.492 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.306 12.447 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.290 13.449 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.729 14.338 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.805 14.236 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.026 14.791 -6.162 1.00 0.00 H new ATOM 455 N TYR A 31 -6.904 10.122 -5.122 1.00 0.00 N ATOM 456 CA TYR A 31 -6.761 8.712 -4.680 1.00 0.00 C ATOM 457 C TYR A 31 -5.885 7.925 -5.636 1.00 0.00 C ATOM 458 O TYR A 31 -5.569 8.377 -6.729 1.00 0.00 O ATOM 459 CB TYR A 31 -8.144 8.032 -4.593 1.00 0.00 C ATOM 460 CG TYR A 31 -9.055 8.508 -5.725 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.911 8.005 -7.003 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.064 9.416 -5.475 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.765 8.402 -8.012 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.916 9.814 -6.485 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.772 9.309 -7.761 1.00 0.00 C ATOM 466 OH TYR A 31 -11.626 9.703 -8.772 1.00 0.00 O ATOM 0 H TYR A 31 -6.900 10.271 -6.131 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.293 8.723 -3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.026 6.950 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.605 8.256 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.124 7.296 -7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.188 9.818 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.643 7.999 -9.006 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.701 10.526 -6.275 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.276 10.346 -8.419 1.00 0.00 H new ATOM 476 N TYR A 32 -5.513 6.757 -5.200 1.00 0.00 N ATOM 477 CA TYR A 32 -4.652 5.885 -6.036 1.00 0.00 C ATOM 478 C TYR A 32 -5.346 4.568 -6.308 1.00 0.00 C ATOM 479 O TYR A 32 -6.267 4.202 -5.608 1.00 0.00 O ATOM 480 CB TYR A 32 -3.367 5.584 -5.242 1.00 0.00 C ATOM 481 CG TYR A 32 -2.207 6.442 -5.761 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.087 7.763 -5.380 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.244 5.895 -6.589 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.019 8.521 -5.815 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.178 6.658 -7.022 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.061 7.976 -6.636 1.00 0.00 C ATOM 487 OH TYR A 32 1.007 8.736 -7.047 1.00 0.00 O ATOM 0 H TYR A 32 -5.771 6.367 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.437 6.386 -6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.531 5.784 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.115 4.527 -5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.833 8.206 -4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.326 4.864 -6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.935 9.553 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.569 6.219 -7.667 1.00 0.00 H new ATOM 0 HH TYR A 32 1.590 8.197 -7.622 1.00 0.00 H new ATOM 497 N ARG A 33 -4.899 3.886 -7.328 1.00 0.00 N ATOM 498 CA ARG A 33 -5.518 2.576 -7.668 1.00 0.00 C ATOM 499 C ARG A 33 -4.441 1.522 -7.771 1.00 0.00 C ATOM 500 O ARG A 33 -3.338 1.817 -8.173 1.00 0.00 O ATOM 501 CB ARG A 33 -6.218 2.693 -9.036 1.00 0.00 C ATOM 502 CG ARG A 33 -7.268 1.574 -9.207 1.00 0.00 C ATOM 503 CD ARG A 33 -8.640 2.209 -9.447 1.00 0.00 C ATOM 504 NE ARG A 33 -9.029 2.993 -8.241 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.903 3.954 -8.352 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.101 3.675 -8.795 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.552 5.164 -8.014 1.00 0.00 N ATOM 0 H ARG A 33 -4.135 4.179 -7.937 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.235 2.301 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.700 3.667 -9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.479 2.631 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.999 0.931 -10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.295 0.944 -8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.607 2.857 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.382 1.437 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.614 2.779 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.341 2.716 -9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.796 4.416 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.609 5.344 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.221 5.930 -8.093 1.00 0.00 H new ATOM 521 N ILE A 34 -4.770 0.317 -7.388 1.00 0.00 N ATOM 522 CA ILE A 34 -3.762 -0.774 -7.461 1.00 0.00 C ATOM 523 C ILE A 34 -4.395 -2.059 -7.995 1.00 0.00 C ATOM 524 O ILE A 34 -5.056 -2.777 -7.268 1.00 0.00 O ATOM 525 CB ILE A 34 -3.213 -1.038 -6.052 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.200 0.044 -5.668 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.488 -2.397 -6.063 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.150 0.166 -4.141 1.00 0.00 C ATOM 0 H ILE A 34 -5.686 0.045 -7.031 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.961 -0.470 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.035 -1.034 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.214 -0.209 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.483 0.998 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.089 -2.605 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.190 -3.182 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.670 -2.367 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.430 0.935 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.136 0.438 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.848 -0.788 -3.709 1.00 0.00 H new ATOM 540 N THR A 35 -4.192 -2.309 -9.268 1.00 0.00 N ATOM 541 CA THR A 35 -4.764 -3.538 -9.890 1.00 0.00 C ATOM 542 C THR A 35 -3.669 -4.552 -10.141 1.00 0.00 C ATOM 543 O THR A 35 -2.595 -4.200 -10.586 1.00 0.00 O ATOM 544 CB THR A 35 -5.391 -3.162 -11.239 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.402 -3.446 -12.204 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.607 -1.645 -11.343 1.00 0.00 C ATOM 0 H THR A 35 -3.655 -1.714 -9.899 1.00 0.00 H new ATOM 0 HA THR A 35 -5.510 -3.964 -9.219 1.00 0.00 H new ATOM 0 HB THR A 35 -6.336 -3.690 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.743 -3.227 -13.096 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.052 -1.406 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.273 -1.317 -10.545 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.649 -1.134 -11.249 1.00 0.00 H new ATOM 554 N TYR A 36 -3.946 -5.799 -9.853 1.00 0.00 N ATOM 555 CA TYR A 36 -2.909 -6.829 -10.079 1.00 0.00 C ATOM 556 C TYR A 36 -3.525 -8.140 -10.522 1.00 0.00 C ATOM 557 O TYR A 36 -4.640 -8.473 -10.145 1.00 0.00 O ATOM 558 CB TYR A 36 -2.140 -7.046 -8.764 1.00 0.00 C ATOM 559 CG TYR A 36 -3.073 -7.636 -7.704 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.086 -6.874 -7.153 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.905 -8.936 -7.267 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.914 -7.402 -6.186 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.733 -9.461 -6.300 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.744 -8.698 -5.751 1.00 0.00 C ATOM 565 OH TYR A 36 -5.569 -9.221 -4.777 1.00 0.00 O ATOM 0 H TYR A 36 -4.832 -6.137 -9.478 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.238 -6.487 -10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.297 -7.716 -8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.729 -6.099 -8.413 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.230 -5.856 -7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.118 -9.545 -7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.702 -6.795 -5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.590 -10.479 -5.968 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.451 -8.797 -4.833 1.00 0.00 H new ATOM 575 N GLY A 37 -2.790 -8.854 -11.333 1.00 0.00 N ATOM 576 CA GLY A 37 -3.293 -10.159 -11.833 1.00 0.00 C ATOM 577 C GLY A 37 -2.136 -10.978 -12.411 1.00 0.00 C ATOM 578 O GLY A 37 -1.256 -10.441 -13.056 1.00 0.00 O ATOM 0 H GLY A 37 -1.864 -8.587 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.770 -10.709 -11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.053 -9.997 -12.598 1.00 0.00 H new ATOM 582 N GLU A 38 -2.154 -12.261 -12.164 1.00 0.00 N ATOM 583 CA GLU A 38 -1.076 -13.112 -12.685 1.00 0.00 C ATOM 584 C GLU A 38 -1.204 -13.298 -14.196 1.00 0.00 C ATOM 585 O GLU A 38 -2.294 -13.390 -14.725 1.00 0.00 O ATOM 586 CB GLU A 38 -1.178 -14.480 -11.994 1.00 0.00 C ATOM 587 CG GLU A 38 -2.557 -15.094 -12.263 1.00 0.00 C ATOM 588 CD GLU A 38 -2.389 -16.363 -13.101 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.298 -16.208 -14.307 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.360 -17.418 -12.487 1.00 0.00 O ATOM 0 H GLU A 38 -2.872 -12.744 -11.624 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.114 -12.641 -12.484 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.396 -15.144 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.022 -14.369 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.053 -15.329 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.191 -14.379 -12.788 1.00 0.00 H new ATOM 597 N THR A 39 -0.083 -13.342 -14.862 1.00 0.00 N ATOM 598 CA THR A 39 -0.119 -13.520 -16.335 1.00 0.00 C ATOM 599 C THR A 39 -0.464 -14.960 -16.696 1.00 0.00 C ATOM 600 O THR A 39 0.345 -15.852 -16.538 1.00 0.00 O ATOM 601 CB THR A 39 1.268 -13.190 -16.899 1.00 0.00 C ATOM 602 OG1 THR A 39 1.317 -11.777 -16.974 1.00 0.00 O ATOM 603 CG2 THR A 39 1.390 -13.655 -18.356 1.00 0.00 C ATOM 0 H THR A 39 0.847 -13.263 -14.452 1.00 0.00 H new ATOM 0 HA THR A 39 -0.879 -12.861 -16.754 1.00 0.00 H new ATOM 0 HB THR A 39 2.036 -13.656 -16.282 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.320 -11.401 -16.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.382 -13.410 -18.734 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.238 -14.733 -18.408 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.636 -13.153 -18.963 1.00 0.00 H new ATOM 664 N VAL A 45 -6.671 -11.170 -10.800 1.00 0.00 N ATOM 665 CA VAL A 45 -7.210 -11.109 -9.423 1.00 0.00 C ATOM 666 C VAL A 45 -8.213 -9.975 -9.286 1.00 0.00 C ATOM 667 O VAL A 45 -9.393 -10.166 -9.507 1.00 0.00 O ATOM 668 CB VAL A 45 -6.042 -10.894 -8.440 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.578 -10.898 -7.010 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.035 -12.034 -8.599 1.00 0.00 C ATOM 0 HA VAL A 45 -7.722 -12.045 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.558 -9.940 -8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.754 -10.746 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.306 -10.095 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.057 -11.855 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.207 -11.887 -7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.524 -12.984 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.656 -12.045 -9.621 1.00 0.00 H new ATOM 680 N GLN A 46 -7.735 -8.813 -8.946 1.00 0.00 N ATOM 681 CA GLN A 46 -8.670 -7.663 -8.795 1.00 0.00 C ATOM 682 C GLN A 46 -7.916 -6.361 -8.558 1.00 0.00 C ATOM 683 O GLN A 46 -6.784 -6.209 -8.974 1.00 0.00 O ATOM 684 CB GLN A 46 -9.606 -7.929 -7.585 1.00 0.00 C ATOM 685 CG GLN A 46 -8.844 -7.697 -6.270 1.00 0.00 C ATOM 686 CD GLN A 46 -9.301 -8.728 -5.234 1.00 0.00 C ATOM 687 OE1 GLN A 46 -8.747 -9.803 -5.124 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.307 -8.438 -4.454 1.00 0.00 N ATOM 0 H GLN A 46 -6.752 -8.609 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.244 -7.565 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.473 -7.270 -7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.980 -8.952 -7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.770 -7.784 -6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.029 -6.688 -5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.777 -7.537 -4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.623 -9.113 -3.757 1.00 0.00 H new ATOM 697 N GLU A 47 -8.560 -5.444 -7.888 1.00 0.00 N ATOM 698 CA GLU A 47 -7.904 -4.148 -7.610 1.00 0.00 C ATOM 699 C GLU A 47 -8.564 -3.438 -6.431 1.00 0.00 C ATOM 700 O GLU A 47 -9.572 -3.880 -5.920 1.00 0.00 O ATOM 701 CB GLU A 47 -8.041 -3.262 -8.865 1.00 0.00 C ATOM 702 CG GLU A 47 -9.454 -2.663 -8.931 1.00 0.00 C ATOM 703 CD GLU A 47 -10.485 -3.745 -8.597 1.00 0.00 C ATOM 704 OE1 GLU A 47 -10.514 -4.713 -9.339 1.00 0.00 O ATOM 705 OE2 GLU A 47 -11.186 -3.541 -7.621 1.00 0.00 O ATOM 0 H GLU A 47 -9.508 -5.541 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.858 -4.325 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.299 -2.464 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.845 -3.852 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.542 -1.833 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.643 -2.260 -9.926 1.00 0.00 H new ATOM 712 N PHE A 48 -7.972 -2.350 -6.024 1.00 0.00 N ATOM 713 CA PHE A 48 -8.537 -1.579 -4.881 1.00 0.00 C ATOM 714 C PHE A 48 -7.905 -0.196 -4.839 1.00 0.00 C ATOM 715 O PHE A 48 -6.758 -0.036 -5.206 1.00 0.00 O ATOM 716 CB PHE A 48 -8.226 -2.328 -3.571 1.00 0.00 C ATOM 717 CG PHE A 48 -6.723 -2.565 -3.457 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.139 -3.662 -4.064 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.928 -1.694 -2.731 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.785 -3.884 -3.943 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.574 -1.921 -2.614 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.004 -3.015 -3.219 1.00 0.00 C ATOM 0 H PHE A 48 -7.122 -1.961 -6.433 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.616 -1.477 -5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.578 -1.749 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.756 -3.280 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.747 -4.348 -4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.372 -0.832 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.336 -4.743 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.960 -1.238 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.943 -3.192 -3.126 1.00 0.00 H new ATOM 732 N THR A 49 -8.663 0.786 -4.384 1.00 0.00 N ATOM 733 CA THR A 49 -8.106 2.172 -4.320 1.00 0.00 C ATOM 734 C THR A 49 -7.942 2.673 -2.893 1.00 0.00 C ATOM 735 O THR A 49 -8.450 2.091 -1.955 1.00 0.00 O ATOM 736 CB THR A 49 -9.073 3.109 -5.055 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.636 3.928 -4.052 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.262 2.329 -5.627 1.00 0.00 C ATOM 0 H THR A 49 -9.625 0.684 -4.061 1.00 0.00 H new ATOM 0 HA THR A 49 -7.118 2.158 -4.779 1.00 0.00 H new ATOM 0 HB THR A 49 -8.543 3.634 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.268 4.557 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.933 3.016 -6.143 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.900 1.578 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.799 1.838 -4.816 1.00 0.00 H new ATOM 746 N VAL A 50 -7.223 3.761 -2.771 1.00 0.00 N ATOM 747 CA VAL A 50 -6.987 4.355 -1.437 1.00 0.00 C ATOM 748 C VAL A 50 -6.890 5.893 -1.562 1.00 0.00 C ATOM 749 O VAL A 50 -6.611 6.403 -2.630 1.00 0.00 O ATOM 750 CB VAL A 50 -5.644 3.809 -0.912 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.904 2.593 -0.018 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.780 3.385 -2.100 1.00 0.00 C ATOM 0 H VAL A 50 -6.790 4.260 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.803 4.103 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.132 4.581 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.956 2.206 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.531 2.888 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.411 1.819 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.828 2.997 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.296 2.609 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.600 4.246 -2.744 1.00 0.00 H new ATOM 762 N PRO A 51 -7.124 6.615 -0.466 1.00 0.00 N ATOM 763 CA PRO A 51 -7.052 8.080 -0.492 1.00 0.00 C ATOM 764 C PRO A 51 -5.659 8.585 -0.899 1.00 0.00 C ATOM 765 O PRO A 51 -5.396 9.772 -0.861 1.00 0.00 O ATOM 766 CB PRO A 51 -7.350 8.517 0.959 1.00 0.00 C ATOM 767 CG PRO A 51 -7.546 7.222 1.805 1.00 0.00 C ATOM 768 CD PRO A 51 -7.490 6.031 0.837 1.00 0.00 C ATOM 0 HA PRO A 51 -7.752 8.488 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.529 9.114 1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.244 9.139 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.768 7.137 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.501 7.246 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.754 5.294 1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.451 5.520 0.784 1.00 0.00 H new ATOM 776 N GLY A 52 -4.795 7.680 -1.280 1.00 0.00 N ATOM 777 CA GLY A 52 -3.420 8.105 -1.687 1.00 0.00 C ATOM 778 C GLY A 52 -2.626 8.576 -0.464 1.00 0.00 C ATOM 779 O GLY A 52 -1.472 8.941 -0.573 1.00 0.00 O ATOM 0 H GLY A 52 -4.977 6.677 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.903 7.275 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.482 8.909 -2.420 1.00 0.00 H new ATOM 783 N SER A 53 -3.262 8.552 0.678 1.00 0.00 N ATOM 784 CA SER A 53 -2.564 8.994 1.912 1.00 0.00 C ATOM 785 C SER A 53 -1.595 7.924 2.401 1.00 0.00 C ATOM 786 O SER A 53 -0.528 8.229 2.894 1.00 0.00 O ATOM 787 CB SER A 53 -3.617 9.237 3.003 1.00 0.00 C ATOM 788 OG SER A 53 -3.549 10.632 3.247 1.00 0.00 O ATOM 0 H SER A 53 -4.227 8.247 0.805 1.00 0.00 H new ATOM 0 HA SER A 53 -2.002 9.903 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.611 8.939 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.397 8.664 3.904 1.00 0.00 H new ATOM 0 HG SER A 53 -4.199 10.875 3.939 1.00 0.00 H new ATOM 794 N LYS A 54 -1.989 6.687 2.260 1.00 0.00 N ATOM 795 CA LYS A 54 -1.102 5.588 2.710 1.00 0.00 C ATOM 796 C LYS A 54 -0.030 5.303 1.665 1.00 0.00 C ATOM 797 O LYS A 54 -0.331 4.899 0.559 1.00 0.00 O ATOM 798 CB LYS A 54 -1.956 4.324 2.906 1.00 0.00 C ATOM 799 CG LYS A 54 -1.402 3.520 4.087 1.00 0.00 C ATOM 800 CD LYS A 54 -2.254 2.262 4.286 1.00 0.00 C ATOM 801 CE LYS A 54 -1.869 1.596 5.611 1.00 0.00 C ATOM 802 NZ LYS A 54 -2.775 2.045 6.706 1.00 0.00 N ATOM 0 H LYS A 54 -2.879 6.396 1.856 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.615 5.877 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.995 4.598 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.943 3.718 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.364 3.245 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.412 4.127 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.312 2.522 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.099 1.569 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.923 0.512 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.837 1.842 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.499 1.583 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.704 3.077 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.755 1.788 6.473 1.00 0.00 H new ATOM 816 N SER A 55 1.204 5.521 2.034 1.00 0.00 N ATOM 817 CA SER A 55 2.310 5.270 1.073 1.00 0.00 C ATOM 818 C SER A 55 2.690 3.792 1.046 1.00 0.00 C ATOM 819 O SER A 55 3.555 3.388 0.292 1.00 0.00 O ATOM 820 CB SER A 55 3.532 6.087 1.522 1.00 0.00 C ATOM 821 OG SER A 55 3.177 7.431 1.228 1.00 0.00 O ATOM 0 H SER A 55 1.490 5.859 2.953 1.00 0.00 H new ATOM 0 HA SER A 55 1.985 5.561 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.734 5.951 2.585 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.432 5.786 0.986 1.00 0.00 H new ATOM 0 HG SER A 55 3.910 8.027 1.488 1.00 0.00 H new ATOM 827 N THR A 56 2.035 3.016 1.875 1.00 0.00 N ATOM 828 CA THR A 56 2.335 1.556 1.923 1.00 0.00 C ATOM 829 C THR A 56 1.047 0.746 1.902 1.00 0.00 C ATOM 830 O THR A 56 -0.004 1.243 2.255 1.00 0.00 O ATOM 831 CB THR A 56 3.077 1.262 3.230 1.00 0.00 C ATOM 832 OG1 THR A 56 2.176 1.620 4.259 1.00 0.00 O ATOM 833 CG2 THR A 56 4.267 2.215 3.409 1.00 0.00 C ATOM 0 H THR A 56 1.308 3.332 2.517 1.00 0.00 H new ATOM 0 HA THR A 56 2.939 1.283 1.057 1.00 0.00 H new ATOM 0 HB THR A 56 3.414 0.225 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.592 1.453 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.778 1.987 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.960 2.092 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.909 3.244 3.433 1.00 0.00 H new ATOM 841 N ALA A 57 1.144 -0.489 1.491 1.00 0.00 N ATOM 842 CA ALA A 57 -0.079 -1.326 1.451 1.00 0.00 C ATOM 843 C ALA A 57 0.258 -2.810 1.456 1.00 0.00 C ATOM 844 O ALA A 57 1.208 -3.243 0.819 1.00 0.00 O ATOM 845 CB ALA A 57 -0.847 -1.002 0.160 1.00 0.00 C ATOM 0 H ALA A 57 2.004 -0.945 1.187 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.676 -1.108 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.751 -1.609 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.118 0.054 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.217 -1.221 -0.703 1.00 0.00 H new ATOM 851 N THR A 58 -0.533 -3.562 2.180 1.00 0.00 N ATOM 852 CA THR A 58 -0.298 -5.023 2.257 1.00 0.00 C ATOM 853 C THR A 58 -1.307 -5.766 1.392 1.00 0.00 C ATOM 854 O THR A 58 -2.470 -5.410 1.350 1.00 0.00 O ATOM 855 CB THR A 58 -0.477 -5.462 3.714 1.00 0.00 C ATOM 856 OG1 THR A 58 0.788 -5.270 4.317 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.722 -6.975 3.803 1.00 0.00 C ATOM 0 H THR A 58 -1.329 -3.221 2.718 1.00 0.00 H new ATOM 0 HA THR A 58 0.707 -5.250 1.902 1.00 0.00 H new ATOM 0 HB THR A 58 -1.304 -4.915 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.744 -5.532 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.846 -7.263 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.624 -7.231 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.129 -7.507 3.379 1.00 0.00 H new ATOM 865 N ILE A 59 -0.842 -6.780 0.711 1.00 0.00 N ATOM 866 CA ILE A 59 -1.751 -7.565 -0.161 1.00 0.00 C ATOM 867 C ILE A 59 -1.518 -9.056 0.018 1.00 0.00 C ATOM 868 O ILE A 59 -0.423 -9.481 0.306 1.00 0.00 O ATOM 869 CB ILE A 59 -1.448 -7.191 -1.613 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.046 -8.233 -2.550 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.083 -7.173 -1.806 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.183 -7.633 -3.956 1.00 0.00 C ATOM 0 H ILE A 59 0.128 -7.095 0.724 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.785 -7.342 0.101 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.876 -6.214 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.411 -9.118 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.021 -8.553 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.317 -6.908 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.526 -6.439 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.489 -8.160 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.611 -8.376 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.835 -6.761 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.200 -7.335 -4.322 1.00 0.00 H new ATOM 884 N SER A 60 -2.561 -9.824 -0.155 1.00 0.00 N ATOM 885 CA SER A 60 -2.425 -11.296 -0.002 1.00 0.00 C ATOM 886 C SER A 60 -3.267 -12.020 -1.050 1.00 0.00 C ATOM 887 O SER A 60 -3.547 -11.482 -2.103 1.00 0.00 O ATOM 888 CB SER A 60 -2.930 -11.691 1.395 1.00 0.00 C ATOM 889 OG SER A 60 -2.427 -13.008 1.582 1.00 0.00 O ATOM 0 H SER A 60 -3.496 -9.495 -0.395 1.00 0.00 H new ATOM 0 HA SER A 60 -1.379 -11.575 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.560 -11.010 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.018 -11.668 1.447 1.00 0.00 H new ATOM 0 HG SER A 60 -1.465 -12.968 1.765 1.00 0.00 H new ATOM 895 N GLY A 61 -3.655 -13.229 -0.746 1.00 0.00 N ATOM 896 CA GLY A 61 -4.481 -13.997 -1.722 1.00 0.00 C ATOM 897 C GLY A 61 -3.715 -14.201 -3.036 1.00 0.00 C ATOM 898 O GLY A 61 -4.256 -13.995 -4.106 1.00 0.00 O ATOM 0 H GLY A 61 -3.439 -13.714 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.749 -14.964 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.412 -13.465 -1.917 1.00 0.00 H new ATOM 902 N LEU A 62 -2.465 -14.600 -2.922 1.00 0.00 N ATOM 903 CA LEU A 62 -1.640 -14.827 -4.146 1.00 0.00 C ATOM 904 C LEU A 62 -0.946 -16.186 -4.095 1.00 0.00 C ATOM 905 O LEU A 62 -1.197 -16.976 -3.206 1.00 0.00 O ATOM 906 CB LEU A 62 -0.558 -13.722 -4.226 1.00 0.00 C ATOM 907 CG LEU A 62 -0.009 -13.409 -2.818 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.615 -14.669 -2.206 1.00 0.00 C ATOM 909 CD2 LEU A 62 1.076 -12.336 -2.937 1.00 0.00 C ATOM 0 H LEU A 62 -1.988 -14.776 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.294 -14.800 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.254 -14.045 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.981 -12.820 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.825 -13.062 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.000 -14.439 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.142 -15.450 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.431 -15.015 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.471 -12.107 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.881 -12.702 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.649 -11.434 -3.375 1.00 0.00 H new ATOM 921 N LYS A 63 -0.080 -16.426 -5.057 1.00 0.00 N ATOM 922 CA LYS A 63 0.653 -17.722 -5.099 1.00 0.00 C ATOM 923 C LYS A 63 2.188 -17.471 -4.963 1.00 0.00 C ATOM 924 O LYS A 63 2.727 -16.647 -5.673 1.00 0.00 O ATOM 925 CB LYS A 63 0.386 -18.363 -6.472 1.00 0.00 C ATOM 926 CG LYS A 63 -1.002 -19.018 -6.456 1.00 0.00 C ATOM 927 CD LYS A 63 -1.359 -19.518 -7.866 1.00 0.00 C ATOM 928 CE LYS A 63 -0.835 -20.945 -8.041 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.551 -21.882 -7.124 1.00 0.00 N ATOM 0 H LYS A 63 0.146 -15.777 -5.811 1.00 0.00 H new ATOM 0 HA LYS A 63 0.320 -18.366 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.437 -17.608 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.151 -19.107 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.013 -19.850 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.749 -18.301 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.439 -19.494 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.922 -18.862 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.970 -21.264 -9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.235 -20.973 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.622 -22.819 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.025 -21.963 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.506 -21.517 -6.932 1.00 0.00 H new ATOM 943 N PRO A 64 2.881 -18.183 -4.054 1.00 0.00 N ATOM 944 CA PRO A 64 4.323 -17.978 -3.894 1.00 0.00 C ATOM 945 C PRO A 64 5.079 -18.313 -5.180 1.00 0.00 C ATOM 946 O PRO A 64 4.758 -19.270 -5.860 1.00 0.00 O ATOM 947 CB PRO A 64 4.748 -18.953 -2.776 1.00 0.00 C ATOM 948 CG PRO A 64 3.489 -19.779 -2.376 1.00 0.00 C ATOM 949 CD PRO A 64 2.298 -19.205 -3.158 1.00 0.00 C ATOM 0 HA PRO A 64 4.548 -16.938 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.545 -19.611 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.137 -18.406 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.631 -20.834 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.311 -19.713 -1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.788 -19.983 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.560 -18.766 -2.486 1.00 0.00 H new ATOM 957 N GLY A 65 6.069 -17.521 -5.489 1.00 0.00 N ATOM 958 CA GLY A 65 6.856 -17.780 -6.729 1.00 0.00 C ATOM 959 C GLY A 65 5.945 -17.757 -7.958 1.00 0.00 C ATOM 960 O GLY A 65 5.494 -18.788 -8.417 1.00 0.00 O ATOM 0 H GLY A 65 6.366 -16.713 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.637 -17.027 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.353 -18.747 -6.656 1.00 0.00 H new ATOM 964 N VAL A 66 5.691 -16.579 -8.465 1.00 0.00 N ATOM 965 CA VAL A 66 4.817 -16.471 -9.657 1.00 0.00 C ATOM 966 C VAL A 66 4.933 -15.095 -10.301 1.00 0.00 C ATOM 967 O VAL A 66 5.182 -14.107 -9.631 1.00 0.00 O ATOM 968 CB VAL A 66 3.362 -16.676 -9.206 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.925 -15.479 -8.356 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.459 -16.772 -10.439 1.00 0.00 C ATOM 0 H VAL A 66 6.051 -15.696 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 66 5.120 -17.223 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 66 3.285 -17.593 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.893 -15.619 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.571 -15.398 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.999 -14.566 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.426 -16.917 -10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.535 -15.852 -11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.772 -17.615 -11.055 1.00 0.00 H new ATOM 980 N ASP A 67 4.762 -15.054 -11.595 1.00 0.00 N ATOM 981 CA ASP A 67 4.856 -13.757 -12.302 1.00 0.00 C ATOM 982 C ASP A 67 3.663 -12.891 -11.939 1.00 0.00 C ATOM 983 O ASP A 67 2.595 -13.398 -11.660 1.00 0.00 O ATOM 984 CB ASP A 67 4.835 -14.026 -13.814 1.00 0.00 C ATOM 985 CG ASP A 67 5.753 -13.025 -14.518 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.930 -13.332 -14.595 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.224 -12.010 -14.940 1.00 0.00 O ATOM 0 H ASP A 67 4.562 -15.861 -12.186 1.00 0.00 H new ATOM 0 HA ASP A 67 5.775 -13.245 -12.017 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.164 -15.045 -14.018 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.818 -13.936 -14.197 1.00 0.00 H new ATOM 992 N TYR A 68 3.853 -11.599 -11.938 1.00 0.00 N ATOM 993 CA TYR A 68 2.729 -10.717 -11.591 1.00 0.00 C ATOM 994 C TYR A 68 2.804 -9.387 -12.325 1.00 0.00 C ATOM 995 O TYR A 68 3.859 -8.795 -12.437 1.00 0.00 O ATOM 996 CB TYR A 68 2.812 -10.443 -10.092 1.00 0.00 C ATOM 997 CG TYR A 68 1.705 -11.215 -9.371 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.378 -10.973 -9.665 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.017 -12.170 -8.421 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.620 -11.674 -9.022 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.018 -12.871 -7.778 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.309 -12.627 -8.074 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.310 -13.325 -7.430 1.00 0.00 O ATOM 0 H TYR A 68 4.731 -11.131 -12.161 1.00 0.00 H new ATOM 0 HA TYR A 68 1.796 -11.205 -11.874 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.788 -10.743 -9.710 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.710 -9.375 -9.900 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.120 -10.229 -10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.051 -12.369 -8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.654 -11.475 -9.262 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.275 -13.615 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.927 -14.107 -6.981 1.00 0.00 H new ATOM 1013 N THR A 69 1.670 -8.948 -12.815 1.00 0.00 N ATOM 1014 CA THR A 69 1.620 -7.657 -13.548 1.00 0.00 C ATOM 1015 C THR A 69 0.735 -6.690 -12.782 1.00 0.00 C ATOM 1016 O THR A 69 -0.437 -6.957 -12.582 1.00 0.00 O ATOM 1017 CB THR A 69 1.014 -7.900 -14.933 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.357 -9.230 -15.265 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.718 -7.044 -15.998 1.00 0.00 C ATOM 0 H THR A 69 0.777 -9.434 -12.735 1.00 0.00 H new ATOM 0 HA THR A 69 2.623 -7.242 -13.647 1.00 0.00 H new ATOM 0 HB THR A 69 -0.053 -7.680 -14.910 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.136 -9.400 -16.204 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.269 -7.235 -16.973 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.608 -5.989 -15.748 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.777 -7.301 -16.029 1.00 0.00 H new ATOM 1027 N ILE A 70 1.309 -5.582 -12.362 1.00 0.00 N ATOM 1028 CA ILE A 70 0.507 -4.582 -11.597 1.00 0.00 C ATOM 1029 C ILE A 70 0.430 -3.248 -12.311 1.00 0.00 C ATOM 1030 O ILE A 70 1.310 -2.887 -13.067 1.00 0.00 O ATOM 1031 CB ILE A 70 1.187 -4.360 -10.247 1.00 0.00 C ATOM 1032 CG1 ILE A 70 0.589 -3.134 -9.562 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.690 -4.113 -10.491 1.00 0.00 C ATOM 1034 CD1 ILE A 70 0.887 -3.200 -8.064 1.00 0.00 C ATOM 0 H ILE A 70 2.286 -5.334 -12.516 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.506 -4.969 -11.488 1.00 0.00 H new ATOM 0 HB ILE A 70 1.040 -5.234 -9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.009 -2.223 -9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.487 -3.098 -9.730 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.192 -3.952 -9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.125 -4.980 -10.988 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.816 -3.232 -11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.462 -2.326 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.446 -4.104 -7.645 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.966 -3.216 -7.908 1.00 0.00 H new ATOM 1046 N THR A 71 -0.633 -2.538 -12.050 1.00 0.00 N ATOM 1047 CA THR A 71 -0.812 -1.219 -12.687 1.00 0.00 C ATOM 1048 C THR A 71 -1.396 -0.250 -11.691 1.00 0.00 C ATOM 1049 O THR A 71 -2.418 -0.522 -11.094 1.00 0.00 O ATOM 1050 CB THR A 71 -1.774 -1.354 -13.875 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.216 -2.360 -14.700 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.752 -0.081 -14.751 1.00 0.00 C ATOM 0 H THR A 71 -1.383 -2.822 -11.420 1.00 0.00 H new ATOM 0 HA THR A 71 0.155 -0.852 -13.032 1.00 0.00 H new ATOM 0 HB THR A 71 -2.782 -1.550 -13.509 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.789 -2.496 -15.483 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.442 -0.202 -15.586 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.054 0.778 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.744 0.080 -15.134 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.733 0.868 -11.525 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.237 1.882 -10.560 1.00 0.00 C ATOM 1062 C VAL A 72 -1.641 3.153 -11.278 1.00 0.00 C ATOM 1063 O VAL A 72 -1.036 3.534 -12.270 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.126 2.202 -9.517 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.128 0.954 -8.671 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.176 2.597 -10.224 1.00 0.00 C ATOM 0 H VAL A 72 0.127 1.117 -12.013 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.114 1.477 -10.055 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.454 3.031 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.905 1.165 -7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.790 0.670 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.451 0.137 -9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.942 2.817 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.511 1.775 -10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.003 3.480 -10.839 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.678 3.778 -10.771 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.165 5.038 -11.396 1.00 0.00 C ATOM 1078 C TYR A 73 -3.089 6.193 -10.411 1.00 0.00 C ATOM 1079 O TYR A 73 -3.622 6.112 -9.316 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.656 4.879 -11.785 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.837 3.820 -12.887 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.574 2.486 -12.642 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.313 4.185 -14.136 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.785 1.539 -13.620 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.523 3.233 -15.112 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.260 1.903 -14.861 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.460 0.949 -15.841 1.00 0.00 O ATOM 0 H TYR A 73 -3.203 3.467 -9.954 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.541 5.240 -12.267 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.235 4.595 -10.906 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.048 5.836 -12.129 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.200 2.183 -11.675 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.521 5.223 -14.347 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.576 0.500 -13.412 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.896 3.532 -16.080 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.799 1.380 -16.653 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.422 7.240 -10.805 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.305 8.410 -9.908 1.00 0.00 C ATOM 1099 C ALA A 74 -3.404 9.399 -10.267 1.00 0.00 C ATOM 1100 O ALA A 74 -3.193 10.299 -11.055 1.00 0.00 O ATOM 1101 CB ALA A 74 -0.936 9.075 -10.137 1.00 0.00 C ATOM 0 H ALA A 74 -1.956 7.332 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.398 8.104 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.837 9.940 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.143 8.360 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.857 9.397 -11.175 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.564 9.221 -9.684 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.676 10.150 -9.999 1.00 0.00 C ATOM 1109 C VAL A 75 -5.656 11.390 -9.126 1.00 0.00 C ATOM 1110 O VAL A 75 -5.774 11.312 -7.917 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.999 9.408 -9.775 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.022 9.884 -10.812 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.761 7.903 -9.949 1.00 0.00 C ATOM 0 H VAL A 75 -4.781 8.483 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.566 10.474 -11.034 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.375 9.608 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.966 9.361 -10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.180 10.957 -10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.649 9.674 -11.814 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.696 7.366 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.395 7.707 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.022 7.565 -9.222 1.00 0.00 H new ATOM 1123 N THR A 76 -5.510 12.520 -9.769 1.00 0.00 N ATOM 1124 CA THR A 76 -5.479 13.797 -9.025 1.00 0.00 C ATOM 1125 C THR A 76 -6.813 14.490 -9.139 1.00 0.00 C ATOM 1126 O THR A 76 -7.542 14.616 -8.179 1.00 0.00 O ATOM 1127 CB THR A 76 -4.405 14.699 -9.650 1.00 0.00 C ATOM 1128 OG1 THR A 76 -5.023 15.955 -9.843 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.038 14.226 -11.066 1.00 0.00 C ATOM 0 H THR A 76 -5.411 12.605 -10.781 1.00 0.00 H new ATOM 0 HA THR A 76 -5.259 13.602 -7.975 1.00 0.00 H new ATOM 0 HB THR A 76 -3.522 14.705 -9.011 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.380 16.578 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.275 14.884 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.653 13.207 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.925 14.251 -11.699 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.642 6.454 -16.261 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.581 5.027 -15.939 1.00 0.00 C ATOM 1268 C PRO A 87 -0.196 4.454 -16.216 1.00 0.00 C ATOM 1269 O PRO A 87 0.418 4.774 -17.215 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.589 4.358 -16.895 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.196 5.477 -17.789 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.674 6.815 -17.251 1.00 0.00 C ATOM 0 HA PRO A 87 -1.801 4.857 -14.885 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.095 3.604 -17.507 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.372 3.849 -16.333 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.904 5.340 -18.830 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.285 5.447 -17.757 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.256 7.426 -18.051 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.475 7.395 -16.792 1.00 0.00 H new ATOM 1280 N ILE A 88 0.275 3.617 -15.330 1.00 0.00 N ATOM 1281 CA ILE A 88 1.617 3.022 -15.542 1.00 0.00 C ATOM 1282 C ILE A 88 1.657 1.606 -14.992 1.00 0.00 C ATOM 1283 O ILE A 88 1.230 1.362 -13.879 1.00 0.00 O ATOM 1284 CB ILE A 88 2.648 3.887 -14.820 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.048 3.524 -15.298 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.550 3.620 -13.309 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.062 4.439 -14.614 1.00 0.00 C ATOM 0 H ILE A 88 -0.208 3.325 -14.480 1.00 0.00 H new ATOM 0 HA ILE A 88 1.839 2.983 -16.608 1.00 0.00 H new ATOM 0 HB ILE A 88 2.454 4.939 -15.031 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.266 2.481 -15.066 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.115 3.631 -16.381 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.282 4.233 -12.783 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.549 3.871 -12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.750 2.567 -13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.067 4.185 -14.951 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.845 5.477 -14.868 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.998 4.309 -13.534 1.00 0.00 H new ATOM 1299 N SER A 89 2.169 0.693 -15.788 1.00 0.00 N ATOM 1300 CA SER A 89 2.244 -0.720 -15.329 1.00 0.00 C ATOM 1301 C SER A 89 3.619 -1.318 -15.541 1.00 0.00 C ATOM 1302 O SER A 89 4.349 -0.929 -16.433 1.00 0.00 O ATOM 1303 CB SER A 89 1.233 -1.543 -16.141 1.00 0.00 C ATOM 1304 OG SER A 89 1.898 -1.783 -17.374 1.00 0.00 O ATOM 0 H SER A 89 2.533 0.869 -16.725 1.00 0.00 H new ATOM 0 HA SER A 89 2.026 -0.741 -14.261 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.979 -2.475 -15.636 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.301 -0.997 -16.289 1.00 0.00 H new ATOM 0 HG SER A 89 1.318 -2.311 -17.961 1.00 0.00 H new ATOM 1310 N ILE A 90 3.939 -2.272 -14.708 1.00 0.00 N ATOM 1311 CA ILE A 90 5.252 -2.935 -14.810 1.00 0.00 C ATOM 1312 C ILE A 90 5.135 -4.400 -14.402 1.00 0.00 C ATOM 1313 O ILE A 90 4.339 -4.749 -13.542 1.00 0.00 O ATOM 1314 CB ILE A 90 6.226 -2.240 -13.852 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.486 -1.799 -12.596 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.803 -0.992 -14.545 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.457 -1.811 -11.413 1.00 0.00 C ATOM 0 H ILE A 90 3.337 -2.616 -13.960 1.00 0.00 H new ATOM 0 HA ILE A 90 5.607 -2.874 -15.839 1.00 0.00 H new ATOM 0 HB ILE A 90 7.025 -2.932 -13.584 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.074 -0.800 -12.734 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.646 -2.466 -12.400 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.498 -0.490 -13.871 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.329 -1.290 -15.452 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.992 -0.311 -14.803 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.934 -1.496 -10.510 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.848 -2.819 -11.273 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.282 -1.126 -11.612 1.00 0.00 H new ATOM 1329 N ASN A 91 5.914 -5.234 -15.030 1.00 0.00 N ATOM 1330 CA ASN A 91 5.866 -6.659 -14.697 1.00 0.00 C ATOM 1331 C ASN A 91 6.900 -6.974 -13.626 1.00 0.00 C ATOM 1332 O ASN A 91 7.918 -6.316 -13.538 1.00 0.00 O ATOM 1333 CB ASN A 91 6.205 -7.441 -15.965 1.00 0.00 C ATOM 1334 CG ASN A 91 7.620 -7.083 -16.419 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.117 -6.006 -16.153 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.306 -7.957 -17.107 1.00 0.00 N ATOM 0 H ASN A 91 6.579 -4.977 -15.759 1.00 0.00 H new ATOM 0 HA ASN A 91 4.878 -6.928 -14.323 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.132 -8.512 -15.775 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.488 -7.207 -16.752 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.252 -7.733 -17.417 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.896 -8.863 -17.334 1.00 0.00 H new ATOM 1343 N TYR A 92 6.632 -7.967 -12.829 1.00 0.00 N ATOM 1344 CA TYR A 92 7.609 -8.311 -11.769 1.00 0.00 C ATOM 1345 C TYR A 92 7.492 -9.766 -11.348 1.00 0.00 C ATOM 1346 O TYR A 92 6.407 -10.284 -11.175 1.00 0.00 O ATOM 1347 CB TYR A 92 7.324 -7.426 -10.547 1.00 0.00 C ATOM 1348 CG TYR A 92 8.536 -7.446 -9.615 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.764 -8.525 -8.783 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.415 -6.386 -9.590 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.857 -8.539 -7.941 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.507 -6.400 -8.750 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.738 -7.475 -7.919 1.00 0.00 C ATOM 1354 OH TYR A 92 11.832 -7.490 -7.079 1.00 0.00 O ATOM 0 H TYR A 92 5.793 -8.546 -12.865 1.00 0.00 H new ATOM 0 HA TYR A 92 8.614 -8.148 -12.159 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.112 -6.405 -10.865 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.440 -7.786 -10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.082 -9.363 -8.792 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.247 -5.536 -10.235 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.025 -9.388 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.188 -5.562 -8.743 1.00 0.00 H new ATOM 0 HH TYR A 92 12.345 -6.663 -7.195 1.00 0.00 H new ATOM 1364 N ARG A 93 8.621 -10.399 -11.188 1.00 0.00 N ATOM 1365 CA ARG A 93 8.611 -11.820 -10.775 1.00 0.00 C ATOM 1366 C ARG A 93 8.788 -11.921 -9.268 1.00 0.00 C ATOM 1367 O ARG A 93 9.852 -11.633 -8.752 1.00 0.00 O ATOM 1368 CB ARG A 93 9.787 -12.534 -11.466 1.00 0.00 C ATOM 1369 CG ARG A 93 10.883 -11.513 -11.774 1.00 0.00 C ATOM 1370 CD ARG A 93 12.143 -12.253 -12.224 1.00 0.00 C ATOM 1371 NE ARG A 93 12.789 -11.481 -13.325 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.288 -12.118 -14.350 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.406 -12.775 -14.202 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.650 -12.077 -15.488 1.00 0.00 N ATOM 0 H ARG A 93 9.545 -9.990 -11.326 1.00 0.00 H new ATOM 0 HA ARG A 93 7.663 -12.279 -11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.178 -13.322 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.449 -13.011 -12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.550 -10.828 -12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.096 -10.911 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.833 -12.366 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.889 -13.256 -12.566 1.00 0.00 H new ATOM 0 HE ARG A 93 12.841 -10.463 -13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.875 -12.785 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.810 -13.278 -14.992 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.778 -11.554 -15.565 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.024 -12.568 -16.300 1.00 0.00 H new ATOM 1388 N THR A 94 7.741 -12.329 -8.586 1.00 0.00 N ATOM 1389 CA THR A 94 7.830 -12.456 -7.102 1.00 0.00 C ATOM 1390 C THR A 94 7.730 -13.915 -6.678 1.00 0.00 C ATOM 1391 O THR A 94 7.474 -14.718 -7.559 1.00 0.00 O ATOM 1392 CB THR A 94 6.661 -11.681 -6.477 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.913 -11.187 -7.571 1.00 0.00 O ATOM 1394 CG2 THR A 94 7.161 -10.415 -5.746 1.00 0.00 C ATOM 1395 OXT THR A 94 7.914 -14.149 -5.494 1.00 0.00 O ATOM 0 H THR A 94 6.839 -12.576 -8.992 1.00 0.00 H new ATOM 0 HA THR A 94 8.788 -12.058 -6.768 1.00 0.00 H new ATOM 0 HB THR A 94 6.119 -12.328 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.144 -10.679 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.312 -9.886 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.852 -10.702 -4.954 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.672 -9.763 -6.455 1.00 0.00 H new