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 39 THR OG1 : rot -58:sc= 1.29 USER MOD Set 1.2: A 69 THR OG1 : rot -150:sc= 1.05 USER MOD Set 1.3: A 91 ASN : amide:sc= -0.103 X(o=2.2,f=2.2) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.661 USER MOD Set 2.2: A 71 THR OG1 : rot 102:sc= 0.718 USER MOD Set 3.1: A 14 THR OG1 : rot -160:sc= -0.208 USER MOD Set 3.2: A 17 SER OG : rot 78:sc= 0.33 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 57:sc= 0.179 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 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00915 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= -0.632 USER MOD Single : A 60 SER OG : rot 65:sc= 1.09 USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.262 (180deg=-1.29!) USER MOD Single : A 68 TYR OH : rot 130:sc=-0.00938 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 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0721 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.681 2.396 -7.783 1.00 0.00 N ATOM 109 CA LEU A 8 9.561 1.787 -6.766 1.00 0.00 C ATOM 110 C LEU A 8 9.593 0.277 -6.926 1.00 0.00 C ATOM 111 O LEU A 8 10.026 -0.216 -7.946 1.00 0.00 O ATOM 112 CB LEU A 8 9.026 2.137 -5.388 1.00 0.00 C ATOM 113 CG LEU A 8 9.265 3.651 -5.111 1.00 0.00 C ATOM 114 CD1 LEU A 8 8.312 4.509 -5.994 1.00 0.00 C ATOM 115 CD2 LEU A 8 9.019 3.950 -3.609 1.00 0.00 C ATOM 0 HA LEU A 8 10.574 2.171 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.962 1.909 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.523 1.534 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 8 10.295 3.905 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.485 5.567 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.506 4.302 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.277 4.260 -5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.187 5.010 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.992 3.692 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.705 3.358 -3.003 1.00 0.00 H new ATOM 127 N GLU A 9 9.123 -0.448 -5.926 1.00 0.00 N ATOM 128 CA GLU A 9 9.152 -1.937 -6.067 1.00 0.00 C ATOM 129 C GLU A 9 8.602 -2.652 -4.834 1.00 0.00 C ATOM 130 O GLU A 9 8.046 -2.040 -3.934 1.00 0.00 O ATOM 131 CB GLU A 9 10.623 -2.366 -6.274 1.00 0.00 C ATOM 132 CG GLU A 9 11.536 -1.467 -5.437 1.00 0.00 C ATOM 133 CD GLU A 9 12.748 -2.278 -4.975 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.595 -2.960 -3.975 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.759 -2.172 -5.651 1.00 0.00 O ATOM 0 H GLU A 9 8.737 -0.085 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 9 8.522 -2.212 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.754 -3.408 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.890 -2.294 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.860 -0.608 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.993 -1.077 -4.576 1.00 0.00 H new ATOM 142 N VAL A 10 8.762 -3.954 -4.835 1.00 0.00 N ATOM 143 CA VAL A 10 8.277 -4.768 -3.699 1.00 0.00 C ATOM 144 C VAL A 10 9.304 -4.779 -2.575 1.00 0.00 C ATOM 145 O VAL A 10 10.491 -4.843 -2.822 1.00 0.00 O ATOM 146 CB VAL A 10 8.066 -6.212 -4.191 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.938 -7.143 -2.983 1.00 0.00 C ATOM 148 CG2 VAL A 10 6.779 -6.282 -5.013 1.00 0.00 C ATOM 0 H VAL A 10 9.212 -4.482 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 10 7.346 -4.343 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 10 8.914 -6.517 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.788 -8.167 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.848 -7.090 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.086 -6.836 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.626 -7.303 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.935 -5.981 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.857 -5.613 -5.870 1.00 0.00 H new ATOM 158 N VAL A 11 8.828 -4.723 -1.358 1.00 0.00 N ATOM 159 CA VAL A 11 9.767 -4.729 -0.205 1.00 0.00 C ATOM 160 C VAL A 11 9.872 -6.117 0.409 1.00 0.00 C ATOM 161 O VAL A 11 10.767 -6.390 1.182 1.00 0.00 O ATOM 162 CB VAL A 11 9.237 -3.751 0.855 1.00 0.00 C ATOM 163 CG1 VAL A 11 7.771 -4.080 1.163 1.00 0.00 C ATOM 164 CG2 VAL A 11 10.067 -3.894 2.132 1.00 0.00 C ATOM 0 H VAL A 11 7.838 -4.674 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 11 10.757 -4.432 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 11 9.311 -2.730 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.393 -3.387 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.178 -3.987 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.699 -5.100 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.695 -3.202 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.988 -4.915 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.111 -3.667 1.915 1.00 0.00 H new ATOM 174 N ALA A 12 8.954 -6.968 0.052 1.00 0.00 N ATOM 175 CA ALA A 12 8.979 -8.346 0.602 1.00 0.00 C ATOM 176 C ALA A 12 7.667 -9.065 0.328 1.00 0.00 C ATOM 177 O ALA A 12 6.752 -8.504 -0.242 1.00 0.00 O ATOM 178 CB ALA A 12 9.186 -8.260 2.120 1.00 0.00 C ATOM 0 H ALA A 12 8.191 -6.769 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 12 9.787 -8.902 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.207 -9.265 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.130 -7.758 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.368 -7.696 2.567 1.00 0.00 H new ATOM 184 N ALA A 13 7.599 -10.298 0.744 1.00 0.00 N ATOM 185 CA ALA A 13 6.357 -11.074 0.519 1.00 0.00 C ATOM 186 C ALA A 13 6.216 -12.185 1.553 1.00 0.00 C ATOM 187 O ALA A 13 6.941 -13.159 1.520 1.00 0.00 O ATOM 188 CB ALA A 13 6.438 -11.708 -0.876 1.00 0.00 C ATOM 0 H ALA A 13 8.347 -10.796 1.227 1.00 0.00 H new ATOM 0 HA ALA A 13 5.498 -10.409 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.534 -12.286 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.532 -10.924 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.306 -12.365 -0.927 1.00 0.00 H new ATOM 194 N THR A 14 5.284 -12.024 2.451 1.00 0.00 N ATOM 195 CA THR A 14 5.091 -13.067 3.486 1.00 0.00 C ATOM 196 C THR A 14 4.680 -14.396 2.826 1.00 0.00 C ATOM 197 O THR A 14 4.230 -14.409 1.699 1.00 0.00 O ATOM 198 CB THR A 14 3.965 -12.605 4.425 1.00 0.00 C ATOM 199 OG1 THR A 14 3.345 -11.523 3.757 1.00 0.00 O ATOM 200 CG2 THR A 14 4.534 -11.982 5.713 1.00 0.00 C ATOM 0 H THR A 14 4.656 -11.223 2.510 1.00 0.00 H new ATOM 0 HA THR A 14 6.019 -13.218 4.037 1.00 0.00 H new ATOM 0 HB THR A 14 3.320 -13.450 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.844 -10.983 4.404 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.714 -11.665 6.357 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.142 -12.720 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.150 -11.119 5.459 1.00 0.00 H new ATOM 208 N PRO A 15 4.841 -15.504 3.545 1.00 0.00 N ATOM 209 CA PRO A 15 4.481 -16.811 3.004 1.00 0.00 C ATOM 210 C PRO A 15 3.008 -16.856 2.618 1.00 0.00 C ATOM 211 O PRO A 15 2.530 -17.843 2.097 1.00 0.00 O ATOM 212 CB PRO A 15 4.740 -17.806 4.154 1.00 0.00 C ATOM 213 CG PRO A 15 5.232 -16.981 5.381 1.00 0.00 C ATOM 214 CD PRO A 15 5.372 -15.520 4.919 1.00 0.00 C ATOM 0 HA PRO A 15 5.056 -17.041 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.830 -18.354 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.488 -18.544 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.523 -17.058 6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.186 -17.363 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.812 -14.846 5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.412 -15.196 4.944 1.00 0.00 H new ATOM 222 N THR A 16 2.313 -15.781 2.885 1.00 0.00 N ATOM 223 CA THR A 16 0.870 -15.746 2.542 1.00 0.00 C ATOM 224 C THR A 16 0.394 -14.316 2.297 1.00 0.00 C ATOM 225 O THR A 16 -0.711 -13.962 2.655 1.00 0.00 O ATOM 226 CB THR A 16 0.084 -16.327 3.722 1.00 0.00 C ATOM 227 OG1 THR A 16 0.626 -15.709 4.874 1.00 0.00 O ATOM 228 CG2 THR A 16 0.394 -17.820 3.903 1.00 0.00 C ATOM 0 H THR A 16 2.682 -14.936 3.321 1.00 0.00 H new ATOM 0 HA THR A 16 0.710 -16.324 1.632 1.00 0.00 H new ATOM 0 HB THR A 16 -0.984 -16.175 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.162 -16.039 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.176 -18.210 4.746 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.119 -18.361 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.459 -17.950 4.093 1.00 0.00 H new ATOM 236 N SER A 17 1.233 -13.518 1.690 1.00 0.00 N ATOM 237 CA SER A 17 0.827 -12.114 1.422 1.00 0.00 C ATOM 238 C SER A 17 1.929 -11.342 0.717 1.00 0.00 C ATOM 239 O SER A 17 3.094 -11.678 0.827 1.00 0.00 O ATOM 240 CB SER A 17 0.527 -11.428 2.764 1.00 0.00 C ATOM 241 OG SER A 17 1.055 -10.117 2.610 1.00 0.00 O ATOM 0 H SER A 17 2.168 -13.776 1.374 1.00 0.00 H new ATOM 0 HA SER A 17 -0.052 -12.125 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.543 -11.405 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.000 -11.953 3.594 1.00 0.00 H new ATOM 0 HG SER A 17 0.438 -9.577 2.073 1.00 0.00 H new ATOM 247 N LEU A 18 1.531 -10.309 0.005 1.00 0.00 N ATOM 248 CA LEU A 18 2.528 -9.482 -0.730 1.00 0.00 C ATOM 249 C LEU A 18 2.495 -8.043 -0.244 1.00 0.00 C ATOM 250 O LEU A 18 1.441 -7.443 -0.152 1.00 0.00 O ATOM 251 CB LEU A 18 2.167 -9.508 -2.226 1.00 0.00 C ATOM 252 CG LEU A 18 3.388 -9.956 -3.043 1.00 0.00 C ATOM 253 CD1 LEU A 18 2.964 -10.186 -4.492 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.461 -8.861 -3.002 1.00 0.00 C ATOM 0 H LEU A 18 0.561 -10.010 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 18 3.526 -9.886 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.333 -10.188 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.843 -8.519 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 18 3.790 -10.878 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.827 -10.504 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.196 -10.959 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.566 -9.259 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.328 -9.179 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.058 -7.941 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.761 -8.684 -1.969 1.00 0.00 H new ATOM 266 N LEU A 19 3.656 -7.515 0.056 1.00 0.00 N ATOM 267 CA LEU A 19 3.732 -6.109 0.543 1.00 0.00 C ATOM 268 C LEU A 19 4.469 -5.217 -0.453 1.00 0.00 C ATOM 269 O LEU A 19 5.676 -5.304 -0.586 1.00 0.00 O ATOM 270 CB LEU A 19 4.518 -6.109 1.871 1.00 0.00 C ATOM 271 CG LEU A 19 3.684 -5.433 2.964 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.378 -5.621 4.314 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.571 -3.935 2.663 1.00 0.00 C ATOM 0 H LEU A 19 4.551 -7.998 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 19 2.721 -5.723 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.758 -7.131 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.464 -5.583 1.745 1.00 0.00 H new ATOM 0 HG LEU A 19 2.689 -5.878 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.789 -5.142 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.471 -6.685 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.370 -5.170 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.978 -3.452 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.567 -3.493 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.088 -3.794 1.696 1.00 0.00 H new ATOM 285 N ILE A 20 3.729 -4.368 -1.138 1.00 0.00 N ATOM 286 CA ILE A 20 4.386 -3.468 -2.125 1.00 0.00 C ATOM 287 C ILE A 20 4.626 -2.102 -1.514 1.00 0.00 C ATOM 288 O ILE A 20 4.112 -1.796 -0.453 1.00 0.00 O ATOM 289 CB ILE A 20 3.488 -3.327 -3.375 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.340 -2.341 -3.129 1.00 0.00 C ATOM 291 CG2 ILE A 20 2.886 -4.706 -3.693 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.424 -2.334 -4.351 1.00 0.00 C ATOM 0 H ILE A 20 2.718 -4.266 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 20 5.346 -3.899 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 20 4.094 -2.954 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.780 -2.629 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.734 -1.341 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.248 -4.630 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.689 -5.417 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.295 -5.049 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.603 -1.636 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.992 -2.027 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.022 -3.335 -4.510 1.00 0.00 H new ATOM 304 N SER A 21 5.398 -1.292 -2.190 1.00 0.00 N ATOM 305 CA SER A 21 5.666 0.058 -1.638 1.00 0.00 C ATOM 306 C SER A 21 6.041 1.059 -2.723 1.00 0.00 C ATOM 307 O SER A 21 6.906 0.792 -3.569 1.00 0.00 O ATOM 308 CB SER A 21 6.832 -0.048 -0.644 1.00 0.00 C ATOM 309 OG SER A 21 7.586 -1.158 -1.108 1.00 0.00 O ATOM 0 H SER A 21 5.844 -1.505 -3.082 1.00 0.00 H new ATOM 0 HA SER A 21 4.756 0.414 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.430 0.863 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.475 -0.207 0.373 1.00 0.00 H new ATOM 0 HG SER A 21 7.849 -1.008 -2.040 1.00 0.00 H new ATOM 315 N TRP A 22 5.379 2.201 -2.681 1.00 0.00 N ATOM 316 CA TRP A 22 5.659 3.247 -3.678 1.00 0.00 C ATOM 317 C TRP A 22 5.692 4.617 -3.032 1.00 0.00 C ATOM 318 O TRP A 22 5.661 4.732 -1.823 1.00 0.00 O ATOM 319 CB TRP A 22 4.613 3.195 -4.818 1.00 0.00 C ATOM 320 CG TRP A 22 3.292 3.855 -4.407 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.901 5.047 -4.829 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.374 3.298 -3.649 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.683 5.196 -4.286 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.271 4.125 -3.516 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.378 2.064 -3.031 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.188 3.719 -2.764 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.293 1.660 -2.281 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.199 2.487 -2.147 1.00 0.00 C ATOM 0 H TRP A 22 4.662 2.435 -1.994 1.00 0.00 H new ATOM 0 HA TRP A 22 6.644 3.060 -4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.011 3.696 -5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.430 2.157 -5.097 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.437 5.738 -5.462 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.111 6.028 -4.429 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.233 1.413 -3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.669 4.367 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.301 0.694 -1.798 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.649 2.170 -1.559 1.00 0.00 H new ATOM 415 N VAL A 29 -4.073 14.539 -3.406 1.00 0.00 N ATOM 416 CA VAL A 29 -4.441 13.665 -4.558 1.00 0.00 C ATOM 417 C VAL A 29 -5.839 13.098 -4.381 1.00 0.00 C ATOM 418 O VAL A 29 -6.216 12.706 -3.295 1.00 0.00 O ATOM 419 CB VAL A 29 -3.453 12.494 -4.597 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.874 11.512 -5.691 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.055 13.022 -4.901 1.00 0.00 C ATOM 0 HA VAL A 29 -4.410 14.252 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.449 11.986 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.173 10.678 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.875 11.137 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.875 12.020 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.350 12.191 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.059 13.527 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.755 13.726 -4.125 1.00 0.00 H new ATOM 431 N ARG A 30 -6.590 13.059 -5.448 1.00 0.00 N ATOM 432 CA ARG A 30 -7.961 12.517 -5.338 1.00 0.00 C ATOM 433 C ARG A 30 -7.928 11.101 -4.788 1.00 0.00 C ATOM 434 O ARG A 30 -8.423 10.842 -3.710 1.00 0.00 O ATOM 435 CB ARG A 30 -8.597 12.490 -6.735 1.00 0.00 C ATOM 436 CG ARG A 30 -9.952 13.190 -6.673 1.00 0.00 C ATOM 437 CD ARG A 30 -9.737 14.679 -6.388 1.00 0.00 C ATOM 438 NE ARG A 30 -10.261 15.473 -7.531 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.831 16.623 -7.303 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.150 17.553 -6.690 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.061 16.804 -7.695 1.00 0.00 N ATOM 0 H ARG A 30 -6.313 13.376 -6.377 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.540 13.148 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.948 12.988 -7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.719 11.461 -7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.485 13.061 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.570 12.744 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.247 14.963 -5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.677 14.885 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.175 15.121 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.189 17.373 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.579 18.459 -6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.560 16.053 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.524 17.697 -7.526 1.00 0.00 H new ATOM 455 N TYR A 31 -7.344 10.204 -5.536 1.00 0.00 N ATOM 456 CA TYR A 31 -7.278 8.802 -5.055 1.00 0.00 C ATOM 457 C TYR A 31 -6.303 7.970 -5.880 1.00 0.00 C ATOM 458 O TYR A 31 -5.861 8.378 -6.940 1.00 0.00 O ATOM 459 CB TYR A 31 -8.680 8.178 -5.175 1.00 0.00 C ATOM 460 CG TYR A 31 -9.449 8.862 -6.307 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.162 8.568 -7.623 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.445 9.776 -6.028 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.860 9.177 -8.646 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.145 10.386 -7.051 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.858 10.090 -8.368 1.00 0.00 C ATOM 466 OH TYR A 31 -11.558 10.699 -9.392 1.00 0.00 O ATOM 0 H TYR A 31 -6.917 10.381 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.932 8.809 -4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.598 7.109 -5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.221 8.289 -4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.385 7.855 -7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.679 10.016 -5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.624 8.938 -9.672 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.922 11.099 -6.819 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.223 11.311 -9.014 1.00 0.00 H new ATOM 476 N TYR A 32 -5.991 6.813 -5.359 1.00 0.00 N ATOM 477 CA TYR A 32 -5.049 5.895 -6.056 1.00 0.00 C ATOM 478 C TYR A 32 -5.745 4.564 -6.329 1.00 0.00 C ATOM 479 O TYR A 32 -6.734 4.247 -5.695 1.00 0.00 O ATOM 480 CB TYR A 32 -3.862 5.621 -5.105 1.00 0.00 C ATOM 481 CG TYR A 32 -2.581 6.289 -5.619 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.370 7.642 -5.433 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.591 5.536 -6.222 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.187 8.228 -5.839 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.409 6.125 -6.627 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.200 7.476 -6.438 1.00 0.00 C ATOM 487 OH TYR A 32 0.981 8.064 -6.840 1.00 0.00 O ATOM 0 H TYR A 32 -6.353 6.463 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.717 6.343 -6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.096 5.994 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.705 4.546 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.135 8.245 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.743 4.478 -6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.034 9.286 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.357 5.524 -7.095 1.00 0.00 H new ATOM 0 HH TYR A 32 1.564 7.386 -7.242 1.00 0.00 H new ATOM 497 N ARG A 33 -5.230 3.807 -7.261 1.00 0.00 N ATOM 498 CA ARG A 33 -5.873 2.495 -7.560 1.00 0.00 C ATOM 499 C ARG A 33 -4.827 1.461 -7.898 1.00 0.00 C ATOM 500 O ARG A 33 -4.166 1.543 -8.917 1.00 0.00 O ATOM 501 CB ARG A 33 -6.840 2.650 -8.745 1.00 0.00 C ATOM 502 CG ARG A 33 -7.486 4.037 -8.694 1.00 0.00 C ATOM 503 CD ARG A 33 -8.559 4.124 -9.778 1.00 0.00 C ATOM 504 NE ARG A 33 -9.589 3.081 -9.520 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.795 3.242 -9.989 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.557 4.165 -9.468 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.201 2.473 -10.963 1.00 0.00 N ATOM 0 H ARG A 33 -4.407 4.034 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.423 2.167 -6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.304 2.520 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.608 1.877 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.927 4.211 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.732 4.810 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.016 5.114 -9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.114 3.979 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.354 2.248 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.206 4.746 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.503 4.305 -9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.578 1.761 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.141 2.584 -11.343 1.00 0.00 H new ATOM 521 N ILE A 34 -4.695 0.497 -7.027 1.00 0.00 N ATOM 522 CA ILE A 34 -3.697 -0.573 -7.256 1.00 0.00 C ATOM 523 C ILE A 34 -4.358 -1.847 -7.748 1.00 0.00 C ATOM 524 O ILE A 34 -5.257 -2.370 -7.116 1.00 0.00 O ATOM 525 CB ILE A 34 -2.987 -0.869 -5.923 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.293 0.401 -5.414 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.900 -1.948 -6.169 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.247 1.219 -4.527 1.00 0.00 C ATOM 0 H ILE A 34 -5.238 0.409 -6.168 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.991 -0.236 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.718 -1.212 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.401 0.133 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.964 1.006 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.388 -2.168 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.368 -2.856 -6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.179 -1.579 -6.899 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.737 2.116 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.126 1.504 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.554 0.617 -3.672 1.00 0.00 H new ATOM 540 N THR A 35 -3.893 -2.319 -8.873 1.00 0.00 N ATOM 541 CA THR A 35 -4.459 -3.561 -9.453 1.00 0.00 C ATOM 542 C THR A 35 -3.350 -4.577 -9.603 1.00 0.00 C ATOM 543 O THR A 35 -2.279 -4.246 -10.075 1.00 0.00 O ATOM 544 CB THR A 35 -5.038 -3.248 -10.843 1.00 0.00 C ATOM 545 OG1 THR A 35 -3.931 -2.853 -11.627 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.949 -2.006 -10.806 1.00 0.00 C ATOM 0 H THR A 35 -3.141 -1.892 -9.415 1.00 0.00 H new ATOM 0 HA THR A 35 -5.243 -3.952 -8.804 1.00 0.00 H new ATOM 0 HB THR A 35 -5.595 -4.111 -11.208 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.233 -2.639 -12.535 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.341 -1.813 -11.804 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.776 -2.182 -10.119 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.374 -1.143 -10.469 1.00 0.00 H new ATOM 554 N TYR A 36 -3.609 -5.795 -9.197 1.00 0.00 N ATOM 555 CA TYR A 36 -2.560 -6.829 -9.317 1.00 0.00 C ATOM 556 C TYR A 36 -3.136 -8.133 -9.828 1.00 0.00 C ATOM 557 O TYR A 36 -4.336 -8.338 -9.817 1.00 0.00 O ATOM 558 CB TYR A 36 -1.932 -7.047 -7.919 1.00 0.00 C ATOM 559 CG TYR A 36 -2.991 -7.579 -6.937 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.067 -6.793 -6.551 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.884 -8.855 -6.420 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.011 -7.281 -5.673 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.830 -9.338 -5.541 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.902 -8.555 -5.162 1.00 0.00 C ATOM 565 OH TYR A 36 -5.854 -9.043 -4.289 1.00 0.00 O ATOM 0 H TYR A 36 -4.493 -6.107 -8.794 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.806 -6.496 -10.030 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.105 -7.753 -7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.520 -6.109 -7.547 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.166 -5.791 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.052 -9.480 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.844 -6.658 -5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.732 -10.338 -5.145 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.621 -9.959 -4.029 1.00 0.00 H new ATOM 575 N GLY A 37 -2.259 -8.981 -10.293 1.00 0.00 N ATOM 576 CA GLY A 37 -2.698 -10.299 -10.826 1.00 0.00 C ATOM 577 C GLY A 37 -1.602 -10.874 -11.725 1.00 0.00 C ATOM 578 O GLY A 37 -0.783 -10.140 -12.245 1.00 0.00 O ATOM 0 H GLY A 37 -1.253 -8.815 -10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.907 -10.985 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.624 -10.186 -11.390 1.00 0.00 H new ATOM 582 N GLU A 38 -1.602 -12.168 -11.886 1.00 0.00 N ATOM 583 CA GLU A 38 -0.574 -12.793 -12.740 1.00 0.00 C ATOM 584 C GLU A 38 -0.376 -12.000 -14.032 1.00 0.00 C ATOM 585 O GLU A 38 -1.176 -11.150 -14.370 1.00 0.00 O ATOM 586 CB GLU A 38 -1.045 -14.210 -13.075 1.00 0.00 C ATOM 587 CG GLU A 38 -1.765 -14.792 -11.853 1.00 0.00 C ATOM 588 CD GLU A 38 -1.704 -16.320 -11.904 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.605 -16.812 -12.103 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.758 -16.910 -11.737 1.00 0.00 O ATOM 0 H GLU A 38 -2.270 -12.812 -11.462 1.00 0.00 H new ATOM 0 HA GLU A 38 0.379 -12.811 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.715 -14.192 -13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.195 -14.836 -13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.299 -14.429 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.803 -14.459 -11.837 1.00 0.00 H new ATOM 597 N THR A 39 0.690 -12.292 -14.730 1.00 0.00 N ATOM 598 CA THR A 39 0.957 -11.565 -15.998 1.00 0.00 C ATOM 599 C THR A 39 0.038 -12.035 -17.110 1.00 0.00 C ATOM 600 O THR A 39 -0.197 -11.324 -18.068 1.00 0.00 O ATOM 601 CB THR A 39 2.404 -11.836 -16.413 1.00 0.00 C ATOM 602 OG1 THR A 39 3.197 -11.333 -15.358 1.00 0.00 O ATOM 603 CG2 THR A 39 2.794 -10.981 -17.628 1.00 0.00 C ATOM 0 H THR A 39 1.381 -12.998 -14.476 1.00 0.00 H new ATOM 0 HA THR A 39 0.782 -10.502 -15.834 1.00 0.00 H new ATOM 0 HB THR A 39 2.531 -12.896 -16.634 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.007 -10.380 -15.231 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.827 -11.191 -17.904 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.139 -11.219 -18.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.693 -9.925 -17.377 1.00 0.00 H new ATOM 664 N VAL A 45 -6.392 -10.768 -10.753 1.00 0.00 N ATOM 665 CA VAL A 45 -6.862 -11.065 -9.384 1.00 0.00 C ATOM 666 C VAL A 45 -7.893 -10.060 -8.939 1.00 0.00 C ATOM 667 O VAL A 45 -9.062 -10.368 -8.837 1.00 0.00 O ATOM 668 CB VAL A 45 -5.680 -10.996 -8.421 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.218 -10.958 -6.994 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.801 -12.229 -8.608 1.00 0.00 C ATOM 0 HA VAL A 45 -7.307 -12.060 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.086 -10.103 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.385 -10.909 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.852 -10.080 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.802 -11.858 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.956 -12.181 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.385 -13.126 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.433 -12.261 -9.634 1.00 0.00 H new ATOM 680 N GLN A 46 -7.447 -8.873 -8.673 1.00 0.00 N ATOM 681 CA GLN A 46 -8.404 -7.828 -8.227 1.00 0.00 C ATOM 682 C GLN A 46 -7.744 -6.461 -8.147 1.00 0.00 C ATOM 683 O GLN A 46 -6.676 -6.244 -8.683 1.00 0.00 O ATOM 684 CB GLN A 46 -8.911 -8.199 -6.820 1.00 0.00 C ATOM 685 CG GLN A 46 -10.420 -7.955 -6.746 1.00 0.00 C ATOM 686 CD GLN A 46 -10.849 -7.869 -5.278 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.367 -8.598 -4.435 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.750 -6.989 -4.931 1.00 0.00 N ATOM 0 H GLN A 46 -6.473 -8.580 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.218 -7.779 -8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.689 -9.244 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.397 -7.602 -6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.676 -7.032 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.955 -8.762 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.159 -6.373 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.044 -6.917 -3.957 1.00 0.00 H new ATOM 697 N GLU A 47 -8.406 -5.560 -7.472 1.00 0.00 N ATOM 698 CA GLU A 47 -7.859 -4.193 -7.328 1.00 0.00 C ATOM 699 C GLU A 47 -8.625 -3.428 -6.249 1.00 0.00 C ATOM 700 O GLU A 47 -9.781 -3.710 -5.997 1.00 0.00 O ATOM 701 CB GLU A 47 -8.034 -3.461 -8.670 1.00 0.00 C ATOM 702 CG GLU A 47 -9.513 -3.478 -9.066 1.00 0.00 C ATOM 703 CD GLU A 47 -9.666 -4.186 -10.414 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.154 -5.288 -10.508 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.288 -3.583 -11.273 1.00 0.00 O ATOM 0 H GLU A 47 -9.304 -5.719 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.807 -4.249 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.680 -2.434 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.433 -3.943 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.100 -3.991 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.896 -2.460 -9.131 1.00 0.00 H new ATOM 712 N PHE A 48 -7.975 -2.479 -5.629 1.00 0.00 N ATOM 713 CA PHE A 48 -8.666 -1.696 -4.569 1.00 0.00 C ATOM 714 C PHE A 48 -8.211 -0.246 -4.584 1.00 0.00 C ATOM 715 O PHE A 48 -7.074 0.047 -4.886 1.00 0.00 O ATOM 716 CB PHE A 48 -8.326 -2.307 -3.202 1.00 0.00 C ATOM 717 CG PHE A 48 -6.838 -2.660 -3.151 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.366 -3.796 -3.782 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.947 -1.857 -2.455 1.00 0.00 C ATOM 720 CE1 PHE A 48 -5.028 -4.125 -3.717 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.610 -2.191 -2.395 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.152 -3.324 -3.024 1.00 0.00 C ATOM 0 H PHE A 48 -7.006 -2.216 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.740 -1.729 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.570 -1.602 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.928 -3.200 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.049 -4.429 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.301 -0.966 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.668 -5.015 -4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.921 -1.561 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.105 -3.585 -2.974 1.00 0.00 H new ATOM 732 N THR A 49 -9.112 0.639 -4.256 1.00 0.00 N ATOM 733 CA THR A 49 -8.750 2.076 -4.246 1.00 0.00 C ATOM 734 C THR A 49 -8.259 2.503 -2.871 1.00 0.00 C ATOM 735 O THR A 49 -8.403 1.781 -1.904 1.00 0.00 O ATOM 736 CB THR A 49 -9.994 2.895 -4.594 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.965 2.527 -3.632 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.590 2.447 -5.936 1.00 0.00 C ATOM 0 H THR A 49 -10.076 0.427 -3.997 1.00 0.00 H new ATOM 0 HA THR A 49 -7.954 2.242 -4.972 1.00 0.00 H new ATOM 0 HB THR A 49 -9.740 3.954 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.794 3.022 -3.798 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.473 3.045 -6.160 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.851 2.582 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.870 1.395 -5.877 1.00 0.00 H new ATOM 746 N VAL A 50 -7.689 3.673 -2.810 1.00 0.00 N ATOM 747 CA VAL A 50 -7.183 4.169 -1.517 1.00 0.00 C ATOM 748 C VAL A 50 -7.072 5.724 -1.578 1.00 0.00 C ATOM 749 O VAL A 50 -6.781 6.265 -2.628 1.00 0.00 O ATOM 750 CB VAL A 50 -5.770 3.519 -1.298 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.683 4.594 -1.120 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.792 2.621 -0.052 1.00 0.00 C ATOM 0 H VAL A 50 -7.555 4.301 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.848 3.908 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.537 2.926 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.716 4.113 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.642 5.221 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.919 5.210 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.808 2.174 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.051 3.218 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.532 1.832 -0.185 1.00 0.00 H new ATOM 762 N PRO A 51 -7.333 6.427 -0.460 1.00 0.00 N ATOM 763 CA PRO A 51 -7.243 7.899 -0.449 1.00 0.00 C ATOM 764 C PRO A 51 -5.806 8.403 -0.702 1.00 0.00 C ATOM 765 O PRO A 51 -5.437 9.471 -0.255 1.00 0.00 O ATOM 766 CB PRO A 51 -7.683 8.310 0.978 1.00 0.00 C ATOM 767 CG PRO A 51 -7.908 7.003 1.792 1.00 0.00 C ATOM 768 CD PRO A 51 -7.773 5.826 0.816 1.00 0.00 C ATOM 0 HA PRO A 51 -7.860 8.327 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.921 8.930 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.598 8.902 0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.177 6.921 2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.894 7.005 2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.049 5.096 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.722 5.302 0.698 1.00 0.00 H new ATOM 776 N GLY A 52 -5.028 7.637 -1.424 1.00 0.00 N ATOM 777 CA GLY A 52 -3.628 8.071 -1.702 1.00 0.00 C ATOM 778 C GLY A 52 -2.944 8.502 -0.404 1.00 0.00 C ATOM 779 O GLY A 52 -1.990 9.252 -0.419 1.00 0.00 O ATOM 0 H GLY A 52 -5.298 6.740 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.071 7.255 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.629 8.897 -2.413 1.00 0.00 H new ATOM 783 N SER A 53 -3.448 8.012 0.696 1.00 0.00 N ATOM 784 CA SER A 53 -2.847 8.379 2.000 1.00 0.00 C ATOM 785 C SER A 53 -1.775 7.375 2.411 1.00 0.00 C ATOM 786 O SER A 53 -0.756 7.742 2.961 1.00 0.00 O ATOM 787 CB SER A 53 -3.960 8.375 3.058 1.00 0.00 C ATOM 788 OG SER A 53 -3.868 9.657 3.664 1.00 0.00 O ATOM 0 H SER A 53 -4.245 7.378 0.744 1.00 0.00 H new ATOM 0 HA SER A 53 -2.384 9.362 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.939 8.217 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.814 7.578 3.787 1.00 0.00 H new ATOM 0 HG SER A 53 -4.554 9.740 4.359 1.00 0.00 H new ATOM 794 N LYS A 54 -2.023 6.124 2.138 1.00 0.00 N ATOM 795 CA LYS A 54 -1.027 5.088 2.508 1.00 0.00 C ATOM 796 C LYS A 54 0.035 4.947 1.421 1.00 0.00 C ATOM 797 O LYS A 54 -0.279 4.887 0.249 1.00 0.00 O ATOM 798 CB LYS A 54 -1.758 3.745 2.664 1.00 0.00 C ATOM 799 CG LYS A 54 -1.801 3.367 4.150 1.00 0.00 C ATOM 800 CD LYS A 54 -2.701 2.140 4.334 1.00 0.00 C ATOM 801 CE LYS A 54 -2.720 1.746 5.814 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.821 0.778 6.084 1.00 0.00 N ATOM 0 H LYS A 54 -2.866 5.779 1.678 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.539 5.378 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.770 3.819 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.246 2.970 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.795 3.152 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.180 4.202 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.712 2.361 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.334 1.311 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.763 1.303 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.850 2.635 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.819 0.522 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.733 1.213 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.680 -0.077 5.509 1.00 0.00 H new ATOM 816 N SER A 55 1.276 4.899 1.831 1.00 0.00 N ATOM 817 CA SER A 55 2.367 4.762 0.833 1.00 0.00 C ATOM 818 C SER A 55 2.700 3.297 0.588 1.00 0.00 C ATOM 819 O SER A 55 3.353 2.962 -0.382 1.00 0.00 O ATOM 820 CB SER A 55 3.617 5.469 1.380 1.00 0.00 C ATOM 821 OG SER A 55 3.218 6.826 1.520 1.00 0.00 O ATOM 0 H SER A 55 1.575 4.949 2.805 1.00 0.00 H new ATOM 0 HA SER A 55 2.044 5.207 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.928 5.045 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.461 5.371 0.697 1.00 0.00 H new ATOM 0 HG SER A 55 3.967 7.353 1.870 1.00 0.00 H new ATOM 827 N THR A 56 2.239 2.455 1.475 1.00 0.00 N ATOM 828 CA THR A 56 2.507 0.995 1.333 1.00 0.00 C ATOM 829 C THR A 56 1.204 0.211 1.406 1.00 0.00 C ATOM 830 O THR A 56 0.186 0.740 1.806 1.00 0.00 O ATOM 831 CB THR A 56 3.413 0.554 2.487 1.00 0.00 C ATOM 832 OG1 THR A 56 2.665 0.794 3.662 1.00 0.00 O ATOM 833 CG2 THR A 56 4.632 1.480 2.610 1.00 0.00 C ATOM 0 H THR A 56 1.688 2.716 2.292 1.00 0.00 H new ATOM 0 HA THR A 56 2.984 0.806 0.371 1.00 0.00 H new ATOM 0 HB THR A 56 3.731 -0.477 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.192 0.529 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.260 1.147 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.206 1.451 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.297 2.500 2.798 1.00 0.00 H new ATOM 841 N ALA A 57 1.249 -1.038 1.017 1.00 0.00 N ATOM 842 CA ALA A 57 0.004 -1.847 1.068 1.00 0.00 C ATOM 843 C ALA A 57 0.299 -3.322 1.317 1.00 0.00 C ATOM 844 O ALA A 57 1.214 -3.885 0.741 1.00 0.00 O ATOM 845 CB ALA A 57 -0.718 -1.715 -0.282 1.00 0.00 C ATOM 0 H ALA A 57 2.079 -1.521 0.673 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.611 -1.478 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.636 -2.303 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.962 -0.668 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.070 -2.080 -1.079 1.00 0.00 H new ATOM 851 N THR A 58 -0.496 -3.915 2.177 1.00 0.00 N ATOM 852 CA THR A 58 -0.314 -5.354 2.504 1.00 0.00 C ATOM 853 C THR A 58 -1.561 -6.131 2.105 1.00 0.00 C ATOM 854 O THR A 58 -2.587 -6.028 2.750 1.00 0.00 O ATOM 855 CB THR A 58 -0.115 -5.486 4.019 1.00 0.00 C ATOM 856 OG1 THR A 58 1.082 -4.794 4.302 1.00 0.00 O ATOM 857 CG2 THR A 58 0.177 -6.943 4.407 1.00 0.00 C ATOM 0 H THR A 58 -1.265 -3.456 2.665 1.00 0.00 H new ATOM 0 HA THR A 58 0.548 -5.749 1.967 1.00 0.00 H new ATOM 0 HB THR A 58 -1.001 -5.123 4.540 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.267 -4.840 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.314 -7.012 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.660 -7.574 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.084 -7.279 3.904 1.00 0.00 H new ATOM 865 N ILE A 59 -1.450 -6.899 1.046 1.00 0.00 N ATOM 866 CA ILE A 59 -2.618 -7.694 0.579 1.00 0.00 C ATOM 867 C ILE A 59 -2.395 -9.180 0.816 1.00 0.00 C ATOM 868 O ILE A 59 -1.285 -9.614 1.054 1.00 0.00 O ATOM 869 CB ILE A 59 -2.781 -7.458 -0.926 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.564 -6.704 -1.468 1.00 0.00 C ATOM 871 CG2 ILE A 59 -4.035 -6.595 -1.151 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.652 -6.597 -2.998 1.00 0.00 C ATOM 0 H ILE A 59 -0.601 -7.006 0.490 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.506 -7.384 1.130 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.873 -8.415 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.517 -5.708 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.648 -7.222 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.167 -6.416 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.909 -7.115 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.918 -5.642 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.782 -6.059 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.677 -7.597 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.559 -6.059 -3.274 1.00 0.00 H new ATOM 884 N SER A 60 -3.458 -9.939 0.748 1.00 0.00 N ATOM 885 CA SER A 60 -3.320 -11.398 0.967 1.00 0.00 C ATOM 886 C SER A 60 -4.319 -12.176 0.116 1.00 0.00 C ATOM 887 O SER A 60 -5.124 -11.598 -0.587 1.00 0.00 O ATOM 888 CB SER A 60 -3.590 -11.696 2.452 1.00 0.00 C ATOM 889 OG SER A 60 -3.167 -13.041 2.618 1.00 0.00 O ATOM 0 H SER A 60 -4.404 -9.611 0.552 1.00 0.00 H new ATOM 0 HA SER A 60 -2.313 -11.704 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.034 -11.020 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.645 -11.577 2.697 1.00 0.00 H new ATOM 0 HG SER A 60 -2.199 -13.099 2.476 1.00 0.00 H new ATOM 895 N GLY A 61 -4.242 -13.481 0.195 1.00 0.00 N ATOM 896 CA GLY A 61 -5.178 -14.327 -0.603 1.00 0.00 C ATOM 897 C GLY A 61 -4.479 -14.853 -1.859 1.00 0.00 C ATOM 898 O GLY A 61 -5.107 -15.446 -2.716 1.00 0.00 O ATOM 0 H GLY A 61 -3.576 -13.993 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.530 -15.162 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.056 -13.745 -0.884 1.00 0.00 H new ATOM 902 N LEU A 62 -3.188 -14.625 -1.934 1.00 0.00 N ATOM 903 CA LEU A 62 -2.414 -15.097 -3.119 1.00 0.00 C ATOM 904 C LEU A 62 -1.426 -16.188 -2.727 1.00 0.00 C ATOM 905 O LEU A 62 -1.555 -16.806 -1.689 1.00 0.00 O ATOM 906 CB LEU A 62 -1.623 -13.903 -3.683 1.00 0.00 C ATOM 907 CG LEU A 62 -0.699 -13.346 -2.592 1.00 0.00 C ATOM 908 CD1 LEU A 62 0.762 -13.500 -3.036 1.00 0.00 C ATOM 909 CD2 LEU A 62 -1.003 -11.863 -2.383 1.00 0.00 C ATOM 0 H LEU A 62 -2.642 -14.134 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.107 -15.502 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.037 -14.216 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.308 -13.128 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.861 -13.892 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.421 -13.105 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.984 -14.555 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.920 -12.950 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.349 -11.463 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.835 -11.322 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.042 -11.744 -2.077 1.00 0.00 H new ATOM 921 N LYS A 63 -0.451 -16.397 -3.570 1.00 0.00 N ATOM 922 CA LYS A 63 0.560 -17.436 -3.281 1.00 0.00 C ATOM 923 C LYS A 63 1.944 -17.021 -3.870 1.00 0.00 C ATOM 924 O LYS A 63 2.089 -16.962 -5.075 1.00 0.00 O ATOM 925 CB LYS A 63 0.105 -18.731 -3.975 1.00 0.00 C ATOM 926 CG LYS A 63 -0.619 -19.616 -2.944 1.00 0.00 C ATOM 927 CD LYS A 63 -1.301 -20.799 -3.649 1.00 0.00 C ATOM 928 CE LYS A 63 -0.272 -21.900 -3.904 1.00 0.00 C ATOM 929 NZ LYS A 63 0.326 -22.361 -2.622 1.00 0.00 N ATOM 0 H LYS A 63 -0.317 -15.890 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 63 0.658 -17.569 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.560 -18.500 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.964 -19.259 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.093 -19.984 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.361 -19.027 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.115 -21.182 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.740 -20.471 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.747 -22.739 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.511 -21.528 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.596 -23.362 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.169 -21.791 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.369 -22.253 -1.856 1.00 0.00 H new ATOM 943 N PRO A 64 2.952 -16.735 -3.017 1.00 0.00 N ATOM 944 CA PRO A 64 4.268 -16.340 -3.525 1.00 0.00 C ATOM 945 C PRO A 64 4.893 -17.434 -4.388 1.00 0.00 C ATOM 946 O PRO A 64 4.558 -18.594 -4.265 1.00 0.00 O ATOM 947 CB PRO A 64 5.137 -16.110 -2.267 1.00 0.00 C ATOM 948 CG PRO A 64 4.227 -16.340 -1.025 1.00 0.00 C ATOM 949 CD PRO A 64 2.851 -16.791 -1.540 1.00 0.00 C ATOM 0 HA PRO A 64 4.191 -15.454 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.984 -16.796 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.545 -15.099 -2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.658 -17.096 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.137 -15.424 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.614 -17.799 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.060 -16.137 -1.174 1.00 0.00 H new ATOM 957 N GLY A 65 5.796 -17.038 -5.247 1.00 0.00 N ATOM 958 CA GLY A 65 6.458 -18.039 -6.131 1.00 0.00 C ATOM 959 C GLY A 65 5.763 -18.097 -7.494 1.00 0.00 C ATOM 960 O GLY A 65 5.383 -19.155 -7.953 1.00 0.00 O ATOM 0 H GLY A 65 6.101 -16.073 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.508 -17.778 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.431 -19.022 -5.661 1.00 0.00 H new ATOM 964 N VAL A 66 5.607 -16.956 -8.110 1.00 0.00 N ATOM 965 CA VAL A 66 4.942 -16.932 -9.436 1.00 0.00 C ATOM 966 C VAL A 66 5.063 -15.556 -10.080 1.00 0.00 C ATOM 967 O VAL A 66 5.221 -14.559 -9.398 1.00 0.00 O ATOM 968 CB VAL A 66 3.450 -17.249 -9.228 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.725 -15.978 -8.782 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.843 -17.737 -10.545 1.00 0.00 C ATOM 0 H VAL A 66 5.909 -16.050 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 66 5.417 -17.665 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 66 3.344 -18.023 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.667 -16.196 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.157 -15.621 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.833 -15.210 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.787 -17.961 -10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.947 -16.961 -11.303 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.363 -18.637 -10.874 1.00 0.00 H new ATOM 980 N ASP A 67 4.994 -15.521 -11.385 1.00 0.00 N ATOM 981 CA ASP A 67 5.102 -14.221 -12.075 1.00 0.00 C ATOM 982 C ASP A 67 3.966 -13.313 -11.629 1.00 0.00 C ATOM 983 O ASP A 67 2.828 -13.737 -11.577 1.00 0.00 O ATOM 984 CB ASP A 67 4.987 -14.462 -13.589 1.00 0.00 C ATOM 985 CG ASP A 67 6.311 -14.084 -14.263 1.00 0.00 C ATOM 986 OD1 ASP A 67 7.242 -14.855 -14.099 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.313 -13.045 -14.904 1.00 0.00 O ATOM 0 H ASP A 67 4.869 -16.333 -11.990 1.00 0.00 H new ATOM 0 HA ASP A 67 6.056 -13.751 -11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.751 -15.508 -13.786 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.172 -13.868 -14.003 1.00 0.00 H new ATOM 992 N TYR A 68 4.288 -12.080 -11.305 1.00 0.00 N ATOM 993 CA TYR A 68 3.226 -11.142 -10.858 1.00 0.00 C ATOM 994 C TYR A 68 3.333 -9.793 -11.559 1.00 0.00 C ATOM 995 O TYR A 68 4.413 -9.277 -11.762 1.00 0.00 O ATOM 996 CB TYR A 68 3.394 -10.926 -9.350 1.00 0.00 C ATOM 997 CG TYR A 68 2.150 -11.447 -8.629 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.923 -10.849 -8.831 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.235 -12.529 -7.774 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.201 -11.326 -8.190 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.110 -13.004 -7.132 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.117 -12.407 -7.335 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.243 -12.885 -6.698 1.00 0.00 O ATOM 0 H TYR A 68 5.232 -11.694 -11.333 1.00 0.00 H new ATOM 0 HA TYR A 68 2.254 -11.571 -11.100 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.282 -11.447 -8.992 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.537 -9.867 -9.135 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.842 -10.002 -9.496 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.189 -13.006 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.156 -10.850 -8.358 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.191 -13.850 -6.465 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.304 -13.855 -6.825 1.00 0.00 H new ATOM 1013 N THR A 69 2.191 -9.256 -11.917 1.00 0.00 N ATOM 1014 CA THR A 69 2.160 -7.941 -12.607 1.00 0.00 C ATOM 1015 C THR A 69 1.308 -6.965 -11.809 1.00 0.00 C ATOM 1016 O THR A 69 0.248 -7.324 -11.330 1.00 0.00 O ATOM 1017 CB THR A 69 1.531 -8.138 -13.993 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.531 -8.762 -14.774 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.287 -6.787 -14.684 1.00 0.00 C ATOM 0 H THR A 69 1.277 -9.680 -11.757 1.00 0.00 H new ATOM 0 HA THR A 69 3.171 -7.544 -12.699 1.00 0.00 H new ATOM 0 HB THR A 69 0.596 -8.690 -13.897 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.422 -8.502 -15.713 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.841 -6.955 -15.664 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.612 -6.184 -14.076 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.235 -6.262 -14.802 1.00 0.00 H new ATOM 1027 N ILE A 70 1.786 -5.746 -11.673 1.00 0.00 N ATOM 1028 CA ILE A 70 1.005 -4.736 -10.902 1.00 0.00 C ATOM 1029 C ILE A 70 0.892 -3.417 -11.655 1.00 0.00 C ATOM 1030 O ILE A 70 1.657 -3.142 -12.560 1.00 0.00 O ATOM 1031 CB ILE A 70 1.722 -4.490 -9.572 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.135 -3.970 -9.818 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.821 -5.827 -8.819 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.282 -2.602 -9.151 1.00 0.00 C ATOM 0 H ILE A 70 2.671 -5.416 -12.059 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.003 -5.120 -10.745 1.00 0.00 H new ATOM 0 HB ILE A 70 1.164 -3.753 -8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.869 -4.667 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.326 -3.890 -10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.330 -5.672 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.820 -6.216 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.384 -6.542 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.289 -2.221 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.555 -1.910 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.107 -2.699 -8.080 1.00 0.00 H new ATOM 1046 N THR A 71 -0.067 -2.625 -11.261 1.00 0.00 N ATOM 1047 CA THR A 71 -0.262 -1.322 -11.928 1.00 0.00 C ATOM 1048 C THR A 71 -0.757 -0.287 -10.937 1.00 0.00 C ATOM 1049 O THR A 71 -1.479 -0.617 -10.014 1.00 0.00 O ATOM 1050 CB THR A 71 -1.331 -1.503 -13.006 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.524 -2.898 -13.105 1.00 0.00 O ATOM 1052 CG2 THR A 71 -0.802 -1.094 -14.380 1.00 0.00 C ATOM 0 H THR A 71 -0.720 -2.830 -10.505 1.00 0.00 H new ATOM 0 HA THR A 71 0.684 -0.985 -12.352 1.00 0.00 H new ATOM 0 HB THR A 71 -2.214 -0.918 -12.749 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.349 -3.148 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.584 -1.233 -15.127 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.504 -0.046 -14.358 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.059 -1.711 -14.637 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.358 0.951 -11.135 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.814 2.021 -10.189 1.00 0.00 C ATOM 1062 C VAL A 72 -1.326 3.241 -10.941 1.00 0.00 C ATOM 1063 O VAL A 72 -0.723 3.691 -11.914 1.00 0.00 O ATOM 1064 CB VAL A 72 0.360 2.446 -9.281 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.037 1.203 -8.708 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.372 3.236 -10.095 1.00 0.00 C ATOM 0 H VAL A 72 0.250 1.261 -11.893 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.628 1.615 -9.589 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.019 3.065 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.866 1.503 -8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.315 0.632 -8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.414 0.586 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.201 3.536 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.749 2.616 -10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.893 4.124 -10.508 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.447 3.743 -10.474 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.062 4.932 -11.108 1.00 0.00 C ATOM 1078 C TYR A 73 -3.113 6.087 -10.120 1.00 0.00 C ATOM 1079 O TYR A 73 -3.548 5.920 -8.995 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.507 4.573 -11.500 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.574 4.157 -12.975 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.908 3.030 -13.417 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.312 4.895 -13.879 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.979 2.649 -14.743 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.381 4.514 -15.204 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.715 3.388 -15.647 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.785 3.008 -16.975 1.00 0.00 O ATOM 0 H TYR A 73 -2.958 3.370 -9.674 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.474 5.224 -11.978 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.870 3.761 -10.870 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.161 5.428 -11.327 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.328 2.443 -12.721 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.839 5.777 -13.547 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.454 1.765 -15.075 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.961 5.102 -15.900 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.347 3.642 -17.467 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.663 7.236 -10.559 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.670 8.429 -9.668 1.00 0.00 C ATOM 1099 C ALA A 74 -3.533 9.523 -10.273 1.00 0.00 C ATOM 1100 O ALA A 74 -3.101 10.222 -11.169 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.226 8.948 -9.543 1.00 0.00 C ATOM 0 H ALA A 74 -2.292 7.396 -11.496 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.070 8.156 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.209 9.823 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.595 8.168 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.851 9.221 -10.529 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.742 9.655 -9.773 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.646 10.710 -10.322 1.00 0.00 C ATOM 1109 C VAL A 75 -5.781 11.891 -9.370 1.00 0.00 C ATOM 1110 O VAL A 75 -6.112 11.731 -8.207 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.030 10.093 -10.561 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.037 11.213 -10.837 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.958 9.180 -11.788 1.00 0.00 C ATOM 0 H VAL A 75 -5.133 9.087 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.217 11.080 -11.253 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.339 9.523 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.023 10.782 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.078 11.885 -9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.727 11.771 -11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.937 8.735 -11.968 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.659 9.764 -12.659 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.227 8.391 -11.612 1.00 0.00 H new ATOM 1123 N THR A 76 -5.517 13.063 -9.900 1.00 0.00 N ATOM 1124 CA THR A 76 -5.611 14.303 -9.084 1.00 0.00 C ATOM 1125 C THR A 76 -6.569 15.295 -9.747 1.00 0.00 C ATOM 1126 O THR A 76 -7.707 14.969 -10.019 1.00 0.00 O ATOM 1127 CB THR A 76 -4.211 14.927 -9.013 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.951 15.415 -10.314 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.146 13.843 -8.787 1.00 0.00 C ATOM 0 H THR A 76 -5.239 13.208 -10.871 1.00 0.00 H new ATOM 0 HA THR A 76 -5.983 14.067 -8.087 1.00 0.00 H new ATOM 0 HB THR A 76 -4.177 15.671 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.064 15.831 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.160 14.306 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.349 13.324 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.173 13.129 -9.611 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.598 7.196 -15.464 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.414 5.897 -14.824 1.00 0.00 C ATOM 1268 C PRO A 87 0.748 5.134 -15.418 1.00 0.00 C ATOM 1269 O PRO A 87 1.272 5.497 -16.451 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.718 5.129 -15.103 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.712 6.129 -15.762 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.930 7.414 -16.058 1.00 0.00 C ATOM 0 HA PRO A 87 -0.199 6.016 -13.762 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.531 4.282 -15.763 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.133 4.728 -14.178 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.127 5.711 -16.679 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.551 6.333 -15.096 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.859 7.594 -17.131 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.420 8.284 -15.620 1.00 0.00 H new ATOM 1280 N ILE A 88 1.135 4.084 -14.751 1.00 0.00 N ATOM 1281 CA ILE A 88 2.265 3.284 -15.268 1.00 0.00 C ATOM 1282 C ILE A 88 2.104 1.831 -14.857 1.00 0.00 C ATOM 1283 O ILE A 88 1.446 1.532 -13.875 1.00 0.00 O ATOM 1284 CB ILE A 88 3.591 3.863 -14.693 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.734 3.729 -15.732 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.980 3.074 -13.406 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.920 4.629 -15.335 1.00 0.00 C ATOM 0 H ILE A 88 0.720 3.752 -13.880 1.00 0.00 H new ATOM 0 HA ILE A 88 2.286 3.332 -16.357 1.00 0.00 H new ATOM 0 HB ILE A 88 3.443 4.917 -14.459 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.060 2.691 -15.793 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.371 4.008 -16.721 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.908 3.476 -13.000 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.187 3.173 -12.665 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.118 2.021 -13.652 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.717 4.527 -16.072 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.592 5.668 -15.297 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.292 4.330 -14.355 1.00 0.00 H new ATOM 1299 N SER A 89 2.700 0.955 -15.621 1.00 0.00 N ATOM 1300 CA SER A 89 2.600 -0.490 -15.304 1.00 0.00 C ATOM 1301 C SER A 89 3.983 -1.129 -15.287 1.00 0.00 C ATOM 1302 O SER A 89 4.846 -0.750 -16.051 1.00 0.00 O ATOM 1303 CB SER A 89 1.768 -1.160 -16.407 1.00 0.00 C ATOM 1304 OG SER A 89 2.542 -0.976 -17.582 1.00 0.00 O ATOM 0 H SER A 89 3.250 1.182 -16.449 1.00 0.00 H new ATOM 0 HA SER A 89 2.139 -0.616 -14.324 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.606 -2.217 -16.198 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.785 -0.699 -16.501 1.00 0.00 H new ATOM 0 HG SER A 89 2.079 -1.381 -18.345 1.00 0.00 H new ATOM 1310 N ILE A 90 4.168 -2.089 -14.424 1.00 0.00 N ATOM 1311 CA ILE A 90 5.492 -2.756 -14.355 1.00 0.00 C ATOM 1312 C ILE A 90 5.345 -4.228 -13.992 1.00 0.00 C ATOM 1313 O ILE A 90 4.544 -4.591 -13.144 1.00 0.00 O ATOM 1314 CB ILE A 90 6.345 -2.052 -13.287 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.442 -1.405 -12.235 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.170 -0.947 -13.986 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.204 -1.283 -10.907 1.00 0.00 C ATOM 0 H ILE A 90 3.466 -2.436 -13.771 1.00 0.00 H new ATOM 0 HA ILE A 90 5.970 -2.691 -15.332 1.00 0.00 H new ATOM 0 HB ILE A 90 6.996 -2.776 -12.798 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.120 -0.420 -12.573 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.542 -2.004 -12.096 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.785 -0.431 -13.249 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.812 -1.396 -14.744 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.495 -0.233 -14.459 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.559 -0.822 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.503 -2.274 -10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.091 -0.666 -11.052 1.00 0.00 H new ATOM 1329 N ASN A 91 6.123 -5.049 -14.646 1.00 0.00 N ATOM 1330 CA ASN A 91 6.060 -6.503 -14.370 1.00 0.00 C ATOM 1331 C ASN A 91 7.166 -6.927 -13.413 1.00 0.00 C ATOM 1332 O ASN A 91 8.308 -6.537 -13.564 1.00 0.00 O ATOM 1333 CB ASN A 91 6.246 -7.245 -15.700 1.00 0.00 C ATOM 1334 CG ASN A 91 6.634 -8.700 -15.423 1.00 0.00 C ATOM 1335 OD1 ASN A 91 5.797 -9.532 -15.135 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.889 -9.046 -15.501 1.00 0.00 N ATOM 0 H ASN A 91 6.798 -4.770 -15.358 1.00 0.00 H new ATOM 0 HA ASN A 91 5.100 -6.740 -13.912 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.325 -7.208 -16.281 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.019 -6.758 -16.295 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.164 -10.012 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.596 -8.351 -15.742 1.00 0.00 H new ATOM 1343 N TYR A 92 6.806 -7.720 -12.446 1.00 0.00 N ATOM 1344 CA TYR A 92 7.816 -8.183 -11.468 1.00 0.00 C ATOM 1345 C TYR A 92 7.491 -9.592 -10.990 1.00 0.00 C ATOM 1346 O TYR A 92 6.378 -9.872 -10.591 1.00 0.00 O ATOM 1347 CB TYR A 92 7.789 -7.232 -10.261 1.00 0.00 C ATOM 1348 CG TYR A 92 8.861 -7.655 -9.253 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.634 -8.706 -8.391 1.00 0.00 C ATOM 1350 CD2 TYR A 92 10.066 -6.986 -9.189 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.596 -9.084 -7.478 1.00 0.00 C ATOM 1352 CE2 TYR A 92 11.029 -7.363 -8.276 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.801 -8.415 -7.413 1.00 0.00 C ATOM 1354 OH TYR A 92 11.763 -8.794 -6.501 1.00 0.00 O ATOM 0 H TYR A 92 5.858 -8.065 -12.293 1.00 0.00 H new ATOM 0 HA TYR A 92 8.799 -8.190 -11.940 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.966 -6.207 -10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.806 -7.251 -9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.695 -9.238 -8.431 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.257 -6.161 -9.859 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.405 -9.910 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.968 -6.831 -8.237 1.00 0.00 H new ATOM 0 HH TYR A 92 12.548 -8.215 -6.595 1.00 0.00 H new ATOM 1364 N ARG A 93 8.465 -10.455 -11.040 1.00 0.00 N ATOM 1365 CA ARG A 93 8.222 -11.845 -10.593 1.00 0.00 C ATOM 1366 C ARG A 93 8.579 -12.010 -9.123 1.00 0.00 C ATOM 1367 O ARG A 93 9.634 -11.590 -8.689 1.00 0.00 O ATOM 1368 CB ARG A 93 9.100 -12.790 -11.427 1.00 0.00 C ATOM 1369 CG ARG A 93 10.506 -12.197 -11.556 1.00 0.00 C ATOM 1370 CD ARG A 93 10.668 -11.588 -12.952 1.00 0.00 C ATOM 1371 NE ARG A 93 12.032 -10.999 -13.069 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.060 -11.788 -13.212 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.876 -13.079 -13.167 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.239 -11.261 -13.395 1.00 0.00 N ATOM 0 H ARG A 93 9.410 -10.257 -11.369 1.00 0.00 H new ATOM 0 HA ARG A 93 7.166 -12.079 -10.725 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.149 -13.771 -10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.662 -12.934 -12.415 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.664 -11.435 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.257 -12.971 -11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.521 -12.352 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.911 -10.821 -13.118 1.00 0.00 H new ATOM 0 HE ARG A 93 12.160 -9.988 -13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.939 -13.456 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.669 -13.711 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.345 -10.247 -13.424 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.055 -11.863 -13.509 1.00 0.00 H new ATOM 1388 N THR A 94 7.683 -12.625 -8.383 1.00 0.00 N ATOM 1389 CA THR A 94 7.939 -12.835 -6.929 1.00 0.00 C ATOM 1390 C THR A 94 8.106 -14.318 -6.622 1.00 0.00 C ATOM 1391 O THR A 94 7.135 -15.028 -6.833 1.00 0.00 O ATOM 1392 CB THR A 94 6.730 -12.305 -6.146 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.716 -12.118 -7.113 1.00 0.00 O ATOM 1394 CG2 THR A 94 7.000 -10.892 -5.592 1.00 0.00 C ATOM 1395 OXT THR A 94 9.194 -14.663 -6.193 1.00 0.00 O ATOM 0 H THR A 94 6.793 -12.987 -8.725 1.00 0.00 H new ATOM 0 HA THR A 94 8.852 -12.311 -6.646 1.00 0.00 H new ATOM 0 HB THR A 94 6.491 -12.990 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.907 -11.779 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.126 -10.543 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.861 -10.921 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.205 -10.210 -6.418 1.00 0.00 H new