USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 74 ASN : amide:sc= -0.0931 X(o=1.1,f=1.2) USER MOD Set 1.2: A 93 SER OG : rot 59:sc= 1.21 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0766 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 32 GLN : amide:sc= -0.323 K(o=-0.32,f=-0.88) USER MOD Single : A 34 GLN : amide:sc=-0.00565 X(o=-0.0057,f=0.062) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -105:sc= 0.481 USER MOD Single : A 61 CYS SG : rot -33:sc= -7.43! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -141:sc= -0.384 (180deg=-1.75!) USER MOD Single : A 78 THR OG1 : rot 138:sc= -2.83! USER MOD Single : A 81 SER OG : rot -151:sc= 1.08 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00205 USER MOD Single : A 87 ASN : amide:sc= -0.389 K(o=-0.39,f=-2!) USER MOD Single : A 88 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.41) USER MOD Single : A 94 SER OG : rot -4:sc= 1.05 USER MOD Single : A 96 THR OG1 : rot -18:sc= 0.607 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.774 -11.414 -2.062 1.00 0.00 N ATOM 133 CA HIS A 13 13.544 -10.583 -0.893 1.00 0.00 C ATOM 134 C HIS A 13 12.533 -9.486 -1.233 1.00 0.00 C ATOM 135 O HIS A 13 12.257 -9.233 -2.405 1.00 0.00 O ATOM 136 CB HIS A 13 14.863 -10.027 -0.353 1.00 0.00 C ATOM 137 CG HIS A 13 15.589 -9.122 -1.320 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.526 -9.589 -2.225 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.505 -7.774 -1.514 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.979 -8.560 -2.926 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.345 -7.436 -2.483 1.00 0.00 N ATOM 0 HA HIS A 13 13.117 -11.187 -0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.664 -9.475 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.516 -10.859 -0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.863 -7.097 -0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.720 -8.603 -3.710 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.493 -6.491 -2.838 1.00 0.00 H new ATOM 149 N THR A 14 12.008 -8.864 -0.188 1.00 0.00 N ATOM 150 CA THR A 14 11.034 -7.800 -0.361 1.00 0.00 C ATOM 151 C THR A 14 11.443 -6.566 0.447 1.00 0.00 C ATOM 152 O THR A 14 11.957 -6.689 1.557 1.00 0.00 O ATOM 153 CB THR A 14 9.660 -8.350 0.023 1.00 0.00 C ATOM 154 OG1 THR A 14 9.934 -9.259 1.087 1.00 0.00 O ATOM 155 CG2 THR A 14 9.054 -9.231 -1.072 1.00 0.00 C ATOM 0 H THR A 14 12.239 -9.077 0.782 1.00 0.00 H new ATOM 0 HA THR A 14 10.989 -7.470 -1.399 1.00 0.00 H new ATOM 0 HB THR A 14 8.985 -7.521 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.096 -9.661 1.398 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.079 -9.595 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.938 -8.648 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.713 -10.078 -1.263 1.00 0.00 H new ATOM 163 N GLU A 15 11.197 -5.405 -0.143 1.00 0.00 N ATOM 164 CA GLU A 15 11.533 -4.150 0.508 1.00 0.00 C ATOM 165 C GLU A 15 10.270 -3.321 0.745 1.00 0.00 C ATOM 166 O GLU A 15 9.297 -3.438 0.001 1.00 0.00 O ATOM 167 CB GLU A 15 12.559 -3.365 -0.311 1.00 0.00 C ATOM 168 CG GLU A 15 13.974 -3.896 -0.072 1.00 0.00 C ATOM 169 CD GLU A 15 15.025 -2.860 -0.476 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.323 -1.993 0.373 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.505 -2.958 -1.626 1.00 0.00 O ATOM 0 H GLU A 15 10.769 -5.307 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 15 11.984 -4.374 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.314 -3.436 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.513 -2.309 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.097 -4.152 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.123 -4.812 -0.643 1.00 0.00 H new ATOM 178 N THR A 16 10.325 -2.500 1.784 1.00 0.00 N ATOM 179 CA THR A 16 9.197 -1.651 2.128 1.00 0.00 C ATOM 180 C THR A 16 9.480 -0.201 1.731 1.00 0.00 C ATOM 181 O THR A 16 10.637 0.207 1.643 1.00 0.00 O ATOM 182 CB THR A 16 8.910 -1.828 3.620 1.00 0.00 C ATOM 183 OG1 THR A 16 10.141 -2.306 4.156 1.00 0.00 O ATOM 184 CG2 THR A 16 7.918 -2.960 3.896 1.00 0.00 C ATOM 0 H THR A 16 11.133 -2.405 2.399 1.00 0.00 H new ATOM 0 HA THR A 16 8.303 -1.937 1.574 1.00 0.00 H new ATOM 0 HB THR A 16 8.518 -0.896 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.045 -2.446 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.750 -3.043 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.973 -2.746 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.323 -3.899 3.519 1.00 0.00 H new ATOM 192 N THR A 17 8.404 0.538 1.502 1.00 0.00 N ATOM 193 CA THR A 17 8.523 1.933 1.117 1.00 0.00 C ATOM 194 C THR A 17 7.494 2.783 1.866 1.00 0.00 C ATOM 195 O THR A 17 6.356 2.357 2.061 1.00 0.00 O ATOM 196 CB THR A 17 8.388 2.017 -0.405 1.00 0.00 C ATOM 197 OG1 THR A 17 8.721 3.369 -0.709 1.00 0.00 O ATOM 198 CG2 THR A 17 6.938 1.876 -0.872 1.00 0.00 C ATOM 0 H THR A 17 7.446 0.196 1.576 1.00 0.00 H new ATOM 0 HA THR A 17 9.496 2.338 1.394 1.00 0.00 H new ATOM 0 HB THR A 17 8.996 1.239 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.661 3.511 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.898 1.943 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.545 0.911 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.336 2.674 -0.437 1.00 0.00 H new ATOM 206 N GLU A 18 7.930 3.968 2.265 1.00 0.00 N ATOM 207 CA GLU A 18 7.062 4.881 2.989 1.00 0.00 C ATOM 208 C GLU A 18 6.664 6.056 2.094 1.00 0.00 C ATOM 209 O GLU A 18 7.515 6.842 1.680 1.00 0.00 O ATOM 210 CB GLU A 18 7.730 5.372 4.274 1.00 0.00 C ATOM 211 CG GLU A 18 7.239 4.578 5.486 1.00 0.00 C ATOM 212 CD GLU A 18 8.367 4.368 6.498 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.365 3.725 6.109 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.205 4.855 7.638 1.00 0.00 O ATOM 0 H GLU A 18 8.874 4.318 2.101 1.00 0.00 H new ATOM 0 HA GLU A 18 6.158 4.343 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.812 5.275 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.516 6.431 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.413 5.107 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.853 3.612 5.160 1.00 0.00 H new ATOM 221 N VAL A 19 5.370 6.140 1.821 1.00 0.00 N ATOM 222 CA VAL A 19 4.849 7.206 0.982 1.00 0.00 C ATOM 223 C VAL A 19 4.355 8.351 1.869 1.00 0.00 C ATOM 224 O VAL A 19 3.549 8.137 2.773 1.00 0.00 O ATOM 225 CB VAL A 19 3.764 6.659 0.053 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.455 6.433 0.813 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.550 7.585 -1.145 1.00 0.00 C ATOM 0 H VAL A 19 4.667 5.487 2.166 1.00 0.00 H new ATOM 0 HA VAL A 19 5.635 7.606 0.341 1.00 0.00 H new ATOM 0 HB VAL A 19 4.102 5.695 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.700 6.044 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.620 5.716 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.111 7.378 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.774 7.173 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.244 8.570 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.479 7.673 -1.708 1.00 0.00 H new ATOM 237 N VAL A 20 4.860 9.541 1.580 1.00 0.00 N ATOM 238 CA VAL A 20 4.481 10.720 2.340 1.00 0.00 C ATOM 239 C VAL A 20 3.675 11.662 1.442 1.00 0.00 C ATOM 240 O VAL A 20 4.245 12.407 0.647 1.00 0.00 O ATOM 241 CB VAL A 20 5.725 11.382 2.936 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.385 12.748 3.536 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.383 10.474 3.977 1.00 0.00 C ATOM 0 H VAL A 20 5.529 9.714 0.830 1.00 0.00 H new ATOM 0 HA VAL A 20 3.843 10.444 3.180 1.00 0.00 H new ATOM 0 HB VAL A 20 6.440 11.540 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.287 13.197 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.983 13.397 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.643 12.624 4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.265 10.968 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.676 10.271 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.678 9.536 3.507 1.00 0.00 H new ATOM 253 N LEU A 21 2.361 11.598 1.601 1.00 0.00 N ATOM 254 CA LEU A 21 1.471 12.436 0.815 1.00 0.00 C ATOM 255 C LEU A 21 0.945 13.576 1.691 1.00 0.00 C ATOM 256 O LEU A 21 0.628 13.369 2.861 1.00 0.00 O ATOM 257 CB LEU A 21 0.366 11.592 0.176 1.00 0.00 C ATOM 258 CG LEU A 21 0.827 10.345 -0.581 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.278 9.288 -0.621 1.00 0.00 C ATOM 260 CD2 LEU A 21 1.326 10.707 -1.981 1.00 0.00 C ATOM 0 H LEU A 21 1.891 10.979 2.262 1.00 0.00 H new ATOM 0 HA LEU A 21 2.011 12.893 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.326 11.282 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.194 12.224 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 21 1.669 9.910 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.076 8.412 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.544 9.001 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.155 9.697 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.648 9.803 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.521 11.179 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.166 11.397 -1.901 1.00 0.00 H new ATOM 272 N THR A 22 0.870 14.754 1.090 1.00 0.00 N ATOM 273 CA THR A 22 0.389 15.927 1.800 1.00 0.00 C ATOM 274 C THR A 22 -1.063 16.223 1.418 1.00 0.00 C ATOM 275 O THR A 22 -1.334 16.704 0.319 1.00 0.00 O ATOM 276 CB THR A 22 1.344 17.085 1.502 1.00 0.00 C ATOM 277 OG1 THR A 22 2.640 16.517 1.666 1.00 0.00 O ATOM 278 CG2 THR A 22 1.281 18.184 2.565 1.00 0.00 C ATOM 0 H THR A 22 1.134 14.922 0.119 1.00 0.00 H new ATOM 0 HA THR A 22 0.382 15.762 2.877 1.00 0.00 H new ATOM 0 HB THR A 22 1.107 17.510 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.321 17.199 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.978 18.981 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.269 18.587 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.551 17.768 3.535 1.00 0.00 H new ATOM 286 N ALA A 23 -1.958 15.923 2.347 1.00 0.00 N ATOM 287 CA ALA A 23 -3.376 16.151 2.122 1.00 0.00 C ATOM 288 C ALA A 23 -3.559 17.443 1.324 1.00 0.00 C ATOM 289 O ALA A 23 -3.265 18.530 1.819 1.00 0.00 O ATOM 290 CB ALA A 23 -4.107 16.187 3.466 1.00 0.00 C ATOM 0 H ALA A 23 -1.729 15.524 3.257 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.808 15.338 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.170 16.358 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.969 15.236 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.703 16.993 4.079 1.00 0.00 H new ATOM 296 N ASP A 24 -4.045 17.282 0.102 1.00 0.00 N ATOM 297 CA ASP A 24 -4.272 18.422 -0.770 1.00 0.00 C ATOM 298 C ASP A 24 -5.256 19.383 -0.100 1.00 0.00 C ATOM 299 O ASP A 24 -6.013 18.986 0.784 1.00 0.00 O ATOM 300 CB ASP A 24 -4.875 17.983 -2.106 1.00 0.00 C ATOM 301 CG ASP A 24 -4.165 18.527 -3.346 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.988 18.921 -3.199 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.815 18.538 -4.414 1.00 0.00 O ATOM 0 H ASP A 24 -4.288 16.379 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.312 18.905 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.868 16.894 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.919 18.296 -2.137 1.00 0.00 H new ATOM 308 N PRO A 25 -5.212 20.663 -0.559 1.00 0.00 N ATOM 309 CA PRO A 25 -6.090 21.684 -0.013 1.00 0.00 C ATOM 310 C PRO A 25 -7.519 21.511 -0.531 1.00 0.00 C ATOM 311 O PRO A 25 -8.404 22.296 -0.194 1.00 0.00 O ATOM 312 CB PRO A 25 -5.463 23.005 -0.430 1.00 0.00 C ATOM 313 CG PRO A 25 -4.523 22.677 -1.578 1.00 0.00 C ATOM 314 CD PRO A 25 -4.328 21.169 -1.605 1.00 0.00 C ATOM 0 HA PRO A 25 -6.180 21.626 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.226 23.718 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.922 23.460 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.939 23.025 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.567 23.183 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.588 20.753 -2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.290 20.900 -1.410 1.00 0.00 H new ATOM 322 N VAL A 26 -7.700 20.478 -1.341 1.00 0.00 N ATOM 323 CA VAL A 26 -9.007 20.192 -1.908 1.00 0.00 C ATOM 324 C VAL A 26 -9.469 18.810 -1.443 1.00 0.00 C ATOM 325 O VAL A 26 -10.476 18.689 -0.747 1.00 0.00 O ATOM 326 CB VAL A 26 -8.957 20.325 -3.431 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.281 19.890 -4.063 1.00 0.00 C ATOM 328 CG2 VAL A 26 -8.594 21.752 -3.846 1.00 0.00 C ATOM 0 H VAL A 26 -6.963 19.829 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.742 20.915 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.175 19.661 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.219 19.994 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.480 18.849 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.088 20.517 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.565 21.818 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.342 22.445 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.616 22.011 -3.441 1.00 0.00 H new ATOM 338 N THR A 27 -8.710 17.801 -1.846 1.00 0.00 N ATOM 339 CA THR A 27 -9.028 16.432 -1.480 1.00 0.00 C ATOM 340 C THR A 27 -8.243 16.016 -0.234 1.00 0.00 C ATOM 341 O THR A 27 -8.742 16.127 0.885 1.00 0.00 O ATOM 342 CB THR A 27 -8.756 15.542 -2.694 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.499 15.998 -3.185 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.726 15.811 -3.846 1.00 0.00 C ATOM 0 H THR A 27 -7.875 17.905 -2.423 1.00 0.00 H new ATOM 0 HA THR A 27 -10.080 16.329 -1.212 1.00 0.00 H new ATOM 0 HB THR A 27 -8.825 14.495 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.245 15.473 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.489 15.153 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.747 15.622 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.634 16.850 -4.164 1.00 0.00 H new ATOM 352 N GLY A 28 -7.026 15.548 -0.470 1.00 0.00 N ATOM 353 CA GLY A 28 -6.167 15.116 0.619 1.00 0.00 C ATOM 354 C GLY A 28 -5.119 14.115 0.127 1.00 0.00 C ATOM 355 O GLY A 28 -4.118 14.503 -0.472 1.00 0.00 O ATOM 0 H GLY A 28 -6.615 15.459 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.671 15.980 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.770 14.660 1.404 1.00 0.00 H new ATOM 359 N PHE A 29 -5.387 12.846 0.398 1.00 0.00 N ATOM 360 CA PHE A 29 -4.480 11.786 -0.010 1.00 0.00 C ATOM 361 C PHE A 29 -5.052 11.000 -1.192 1.00 0.00 C ATOM 362 O PHE A 29 -4.317 10.310 -1.897 1.00 0.00 O ATOM 363 CB PHE A 29 -4.325 10.845 1.186 1.00 0.00 C ATOM 364 CG PHE A 29 -3.890 11.544 2.476 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.742 12.271 2.501 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.652 11.437 3.597 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.338 12.920 3.697 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.248 12.086 4.794 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.100 12.814 4.819 1.00 0.00 C ATOM 0 H PHE A 29 -6.219 12.528 0.895 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.525 12.211 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.274 10.338 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.594 10.076 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.137 12.355 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.564 10.859 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.426 13.498 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.853 12.001 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.793 13.308 5.729 1.00 0.00 H new ATOM 379 N GLY A 30 -6.358 11.130 -1.372 1.00 0.00 N ATOM 380 CA GLY A 30 -7.036 10.441 -2.456 1.00 0.00 C ATOM 381 C GLY A 30 -6.645 8.962 -2.496 1.00 0.00 C ATOM 382 O GLY A 30 -5.925 8.531 -3.395 1.00 0.00 O ATOM 0 H GLY A 30 -6.965 11.703 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.115 10.532 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.784 10.913 -3.406 1.00 0.00 H new ATOM 386 N ILE A 31 -7.136 8.226 -1.510 1.00 0.00 N ATOM 387 CA ILE A 31 -6.846 6.805 -1.421 1.00 0.00 C ATOM 388 C ILE A 31 -8.061 6.076 -0.843 1.00 0.00 C ATOM 389 O ILE A 31 -8.658 6.534 0.130 1.00 0.00 O ATOM 390 CB ILE A 31 -5.555 6.570 -0.633 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.556 7.705 -0.866 1.00 0.00 C ATOM 392 CG2 ILE A 31 -4.955 5.201 -0.960 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.308 7.523 0.001 1.00 0.00 C ATOM 0 H ILE A 31 -7.733 8.587 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.667 6.390 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.798 6.569 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.272 7.734 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.026 8.661 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.039 5.059 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.669 4.419 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.729 5.148 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.614 8.343 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.593 7.519 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.827 6.577 -0.248 1.00 0.00 H new ATOM 405 N GLN A 32 -8.390 4.955 -1.467 1.00 0.00 N ATOM 406 CA GLN A 32 -9.523 4.159 -1.027 1.00 0.00 C ATOM 407 C GLN A 32 -9.056 2.771 -0.584 1.00 0.00 C ATOM 408 O GLN A 32 -8.316 2.102 -1.304 1.00 0.00 O ATOM 409 CB GLN A 32 -10.581 4.056 -2.127 1.00 0.00 C ATOM 410 CG GLN A 32 -11.582 5.210 -2.034 1.00 0.00 C ATOM 411 CD GLN A 32 -12.421 5.107 -0.759 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.789 4.033 -0.312 1.00 0.00 O ATOM 413 NE2 GLN A 32 -12.701 6.281 -0.200 1.00 0.00 N ATOM 0 H GLN A 32 -7.892 4.579 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.982 4.657 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.098 4.067 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.107 3.105 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.049 6.161 -2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.236 5.200 -2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.361 7.143 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.255 6.319 0.655 1.00 0.00 H new ATOM 422 N LEU A 33 -9.507 2.379 0.598 1.00 0.00 N ATOM 423 CA LEU A 33 -9.145 1.082 1.146 1.00 0.00 C ATOM 424 C LEU A 33 -10.321 0.117 0.981 1.00 0.00 C ATOM 425 O LEU A 33 -11.469 0.545 0.869 1.00 0.00 O ATOM 426 CB LEU A 33 -8.666 1.226 2.592 1.00 0.00 C ATOM 427 CG LEU A 33 -7.307 1.904 2.784 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.180 2.486 4.192 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.164 0.942 2.455 1.00 0.00 C ATOM 0 H LEU A 33 -10.120 2.937 1.192 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.304 0.658 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.414 1.792 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.621 0.233 3.040 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.238 2.737 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.206 2.962 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.965 3.225 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.279 1.687 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.209 1.448 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.218 0.074 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.249 0.617 1.418 1.00 0.00 H new ATOM 441 N GLN A 34 -9.994 -1.167 0.971 1.00 0.00 N ATOM 442 CA GLN A 34 -11.009 -2.196 0.822 1.00 0.00 C ATOM 443 C GLN A 34 -11.293 -2.861 2.170 1.00 0.00 C ATOM 444 O GLN A 34 -10.367 -3.218 2.897 1.00 0.00 O ATOM 445 CB GLN A 34 -10.590 -3.232 -0.223 1.00 0.00 C ATOM 446 CG GLN A 34 -9.285 -3.921 0.181 1.00 0.00 C ATOM 447 CD GLN A 34 -9.508 -5.414 0.431 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.603 -5.873 1.557 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.585 -6.143 -0.678 1.00 0.00 N ATOM 0 H GLN A 34 -9.041 -1.518 1.064 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.927 -1.725 0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.378 -3.976 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.465 -2.747 -1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.541 -3.787 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.886 -3.453 1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.497 -5.695 -1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.732 -7.150 -0.617 1.00 0.00 H new ATOM 620 N PRO A 47 -5.297 -4.451 4.000 1.00 0.00 N ATOM 621 CA PRO A 47 -5.950 -3.285 3.430 1.00 0.00 C ATOM 622 C PRO A 47 -5.294 -2.879 2.110 1.00 0.00 C ATOM 623 O PRO A 47 -4.285 -2.174 2.104 1.00 0.00 O ATOM 624 CB PRO A 47 -5.843 -2.212 4.502 1.00 0.00 C ATOM 625 CG PRO A 47 -4.735 -2.666 5.438 1.00 0.00 C ATOM 626 CD PRO A 47 -4.441 -4.127 5.138 1.00 0.00 C ATOM 0 HA PRO A 47 -6.993 -3.470 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.610 -1.242 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.786 -2.100 5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.841 -2.059 5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.039 -2.543 6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.389 -4.278 4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.666 -4.761 5.996 1.00 0.00 H new ATOM 634 N LEU A 48 -5.892 -3.340 1.021 1.00 0.00 N ATOM 635 CA LEU A 48 -5.378 -3.034 -0.303 1.00 0.00 C ATOM 636 C LEU A 48 -6.032 -1.748 -0.814 1.00 0.00 C ATOM 637 O LEU A 48 -7.134 -1.399 -0.395 1.00 0.00 O ATOM 638 CB LEU A 48 -5.560 -4.230 -1.238 1.00 0.00 C ATOM 639 CG LEU A 48 -5.184 -5.597 -0.661 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.916 -6.722 -1.395 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.667 -5.797 -0.672 1.00 0.00 C ATOM 0 H LEU A 48 -6.728 -3.924 1.029 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.304 -2.852 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.603 -4.265 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.963 -4.059 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.506 -5.629 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.631 -7.682 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.992 -6.584 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.647 -6.703 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.426 -6.776 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.299 -5.737 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.193 -5.021 -0.070 1.00 0.00 H new ATOM 653 N ILE A 49 -5.324 -1.079 -1.711 1.00 0.00 N ATOM 654 CA ILE A 49 -5.821 0.161 -2.284 1.00 0.00 C ATOM 655 C ILE A 49 -6.954 -0.154 -3.263 1.00 0.00 C ATOM 656 O ILE A 49 -6.709 -0.631 -4.370 1.00 0.00 O ATOM 657 CB ILE A 49 -4.676 0.961 -2.906 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.706 1.457 -1.831 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.211 2.107 -3.767 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.675 2.420 -2.424 1.00 0.00 C ATOM 0 H ILE A 49 -4.410 -1.372 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.239 0.800 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.116 0.298 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.262 1.957 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.196 0.608 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.376 2.660 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.829 1.702 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.810 2.777 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.998 2.757 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.105 1.910 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.187 3.280 -2.856 1.00 0.00 H new ATOM 672 N SER A 50 -8.171 0.127 -2.820 1.00 0.00 N ATOM 673 CA SER A 50 -9.343 -0.120 -3.643 1.00 0.00 C ATOM 674 C SER A 50 -9.335 0.811 -4.857 1.00 0.00 C ATOM 675 O SER A 50 -9.435 0.355 -5.995 1.00 0.00 O ATOM 676 CB SER A 50 -10.630 0.067 -2.839 1.00 0.00 C ATOM 677 OG SER A 50 -11.792 -0.041 -3.658 1.00 0.00 O ATOM 0 H SER A 50 -8.371 0.523 -1.902 1.00 0.00 H new ATOM 0 HA SER A 50 -9.309 -1.154 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.674 -0.680 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.617 1.044 -2.356 1.00 0.00 H new ATOM 0 HG SER A 50 -12.593 0.083 -3.107 1.00 0.00 H new ATOM 683 N TYR A 51 -9.214 2.100 -4.574 1.00 0.00 N ATOM 684 CA TYR A 51 -9.192 3.099 -5.628 1.00 0.00 C ATOM 685 C TYR A 51 -8.337 4.302 -5.225 1.00 0.00 C ATOM 686 O TYR A 51 -8.116 4.542 -4.039 1.00 0.00 O ATOM 687 CB TYR A 51 -10.641 3.556 -5.807 1.00 0.00 C ATOM 688 CG TYR A 51 -10.825 4.640 -6.870 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.804 4.305 -8.209 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.012 5.954 -6.491 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.977 5.326 -9.210 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.185 6.975 -7.492 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.159 6.610 -8.802 1.00 0.00 C ATOM 694 OH TYR A 51 -11.323 7.574 -9.747 1.00 0.00 O ATOM 0 H TYR A 51 -9.130 2.475 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.769 2.683 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.253 2.694 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.014 3.930 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.658 3.277 -8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.029 6.217 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.962 5.077 -10.261 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.332 8.007 -7.209 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.444 8.443 -9.310 1.00 0.00 H new ATOM 704 N ILE A 52 -7.878 5.026 -6.236 1.00 0.00 N ATOM 705 CA ILE A 52 -7.052 6.199 -6.002 1.00 0.00 C ATOM 706 C ILE A 52 -7.741 7.429 -6.595 1.00 0.00 C ATOM 707 O ILE A 52 -7.836 7.564 -7.814 1.00 0.00 O ATOM 708 CB ILE A 52 -5.635 5.970 -6.534 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.010 4.721 -5.910 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.765 7.211 -6.325 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.937 4.129 -6.826 1.00 0.00 C ATOM 0 H ILE A 52 -8.062 4.823 -7.218 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.941 6.381 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.697 5.796 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.571 4.973 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.784 3.977 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.763 7.022 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.205 8.057 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.706 7.439 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.509 3.242 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.385 3.855 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.152 4.867 -6.991 1.00 0.00 H new ATOM 723 N GLU A 53 -8.202 8.296 -5.705 1.00 0.00 N ATOM 724 CA GLU A 53 -8.879 9.511 -6.126 1.00 0.00 C ATOM 725 C GLU A 53 -8.048 10.244 -7.181 1.00 0.00 C ATOM 726 O GLU A 53 -6.825 10.120 -7.209 1.00 0.00 O ATOM 727 CB GLU A 53 -9.170 10.419 -4.929 1.00 0.00 C ATOM 728 CG GLU A 53 -10.607 10.942 -4.974 1.00 0.00 C ATOM 729 CD GLU A 53 -10.658 12.433 -4.635 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.477 13.235 -5.576 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.878 12.736 -3.442 1.00 0.00 O ATOM 0 H GLU A 53 -8.120 8.181 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.835 9.235 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.009 9.868 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.474 11.258 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.027 10.776 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.223 10.384 -4.269 1.00 0.00 H new ATOM 738 N ALA A 54 -8.746 10.991 -8.023 1.00 0.00 N ATOM 739 CA ALA A 54 -8.088 11.744 -9.077 1.00 0.00 C ATOM 740 C ALA A 54 -7.722 13.134 -8.553 1.00 0.00 C ATOM 741 O ALA A 54 -8.238 13.570 -7.525 1.00 0.00 O ATOM 742 CB ALA A 54 -8.997 11.805 -10.306 1.00 0.00 C ATOM 0 H ALA A 54 -9.761 11.091 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.164 11.252 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.503 12.370 -11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.203 10.794 -10.657 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.934 12.295 -10.041 1.00 0.00 H new ATOM 748 N ASP A 55 -6.835 13.793 -9.284 1.00 0.00 N ATOM 749 CA ASP A 55 -6.394 15.125 -8.906 1.00 0.00 C ATOM 750 C ASP A 55 -5.860 15.093 -7.473 1.00 0.00 C ATOM 751 O ASP A 55 -5.768 16.130 -6.817 1.00 0.00 O ATOM 752 CB ASP A 55 -7.553 16.123 -8.956 1.00 0.00 C ATOM 753 CG ASP A 55 -7.139 17.585 -9.138 1.00 0.00 C ATOM 754 OD1 ASP A 55 -6.242 17.821 -9.975 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.730 18.433 -8.435 1.00 0.00 O ATOM 0 H ASP A 55 -6.410 13.429 -10.137 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.619 15.436 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.218 15.845 -9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.128 16.036 -8.034 1.00 0.00 H new ATOM 760 N SER A 56 -5.521 13.892 -7.028 1.00 0.00 N ATOM 761 CA SER A 56 -4.999 13.711 -5.684 1.00 0.00 C ATOM 762 C SER A 56 -3.479 13.538 -5.733 1.00 0.00 C ATOM 763 O SER A 56 -2.914 13.274 -6.793 1.00 0.00 O ATOM 764 CB SER A 56 -5.648 12.507 -4.998 1.00 0.00 C ATOM 765 OG SER A 56 -4.925 11.303 -5.237 1.00 0.00 O ATOM 0 H SER A 56 -5.598 13.034 -7.575 1.00 0.00 H new ATOM 0 HA SER A 56 -5.239 14.600 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.705 12.689 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.671 12.393 -5.357 1.00 0.00 H new ATOM 0 HG SER A 56 -5.411 10.753 -5.887 1.00 0.00 H new ATOM 771 N PRO A 57 -2.844 13.699 -4.541 1.00 0.00 N ATOM 772 CA PRO A 57 -1.401 13.564 -4.438 1.00 0.00 C ATOM 773 C PRO A 57 -0.982 12.094 -4.502 1.00 0.00 C ATOM 774 O PRO A 57 0.192 11.788 -4.704 1.00 0.00 O ATOM 775 CB PRO A 57 -1.037 14.228 -3.120 1.00 0.00 C ATOM 776 CG PRO A 57 -2.327 14.297 -2.318 1.00 0.00 C ATOM 777 CD PRO A 57 -3.481 14.012 -3.265 1.00 0.00 C ATOM 0 HA PRO A 57 -0.874 14.037 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.278 13.653 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.626 15.224 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.311 13.570 -1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.441 15.281 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.088 13.179 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.143 14.874 -3.353 1.00 0.00 H new ATOM 785 N ALA A 58 -1.965 11.223 -4.327 1.00 0.00 N ATOM 786 CA ALA A 58 -1.713 9.793 -4.363 1.00 0.00 C ATOM 787 C ALA A 58 -1.515 9.350 -5.814 1.00 0.00 C ATOM 788 O ALA A 58 -0.789 8.394 -6.082 1.00 0.00 O ATOM 789 CB ALA A 58 -2.866 9.054 -3.681 1.00 0.00 C ATOM 0 H ALA A 58 -2.938 11.481 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.801 9.551 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.677 7.981 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.946 9.382 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.797 9.272 -4.204 1.00 0.00 H new ATOM 795 N GLU A 59 -2.173 10.068 -6.713 1.00 0.00 N ATOM 796 CA GLU A 59 -2.078 9.761 -8.130 1.00 0.00 C ATOM 797 C GLU A 59 -0.960 10.581 -8.777 1.00 0.00 C ATOM 798 O GLU A 59 -0.477 10.237 -9.855 1.00 0.00 O ATOM 799 CB GLU A 59 -3.414 10.005 -8.835 1.00 0.00 C ATOM 800 CG GLU A 59 -3.437 9.340 -10.213 1.00 0.00 C ATOM 801 CD GLU A 59 -3.533 7.818 -10.085 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.512 7.217 -9.687 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.624 7.290 -10.390 1.00 0.00 O ATOM 0 H GLU A 59 -2.774 10.861 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.836 8.704 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.228 9.613 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.583 11.077 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.284 9.715 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.535 9.606 -10.764 1.00 0.00 H new ATOM 810 N ARG A 60 -0.580 11.649 -8.091 1.00 0.00 N ATOM 811 CA ARG A 60 0.472 12.521 -8.586 1.00 0.00 C ATOM 812 C ARG A 60 1.837 11.847 -8.428 1.00 0.00 C ATOM 813 O ARG A 60 2.616 11.785 -9.377 1.00 0.00 O ATOM 814 CB ARG A 60 0.480 13.855 -7.837 1.00 0.00 C ATOM 815 CG ARG A 60 -0.524 14.833 -8.450 1.00 0.00 C ATOM 816 CD ARG A 60 0.107 16.214 -8.646 1.00 0.00 C ATOM 817 NE ARG A 60 -0.942 17.257 -8.621 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.795 18.483 -9.141 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.358 18.827 -9.732 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.801 19.366 -9.072 1.00 0.00 N ATOM 0 H ARG A 60 -0.982 11.930 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 60 0.276 12.711 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.237 13.689 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.480 14.288 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.873 14.449 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.397 14.916 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.839 16.403 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.642 16.247 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.833 17.028 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.124 18.155 -9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.470 19.760 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.679 19.105 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.689 20.299 -9.468 1.00 0.00 H new ATOM 834 N CYS A 61 2.085 11.360 -7.221 1.00 0.00 N ATOM 835 CA CYS A 61 3.342 10.694 -6.926 1.00 0.00 C ATOM 836 C CYS A 61 3.464 9.473 -7.840 1.00 0.00 C ATOM 837 O CYS A 61 4.554 9.149 -8.307 1.00 0.00 O ATOM 838 CB CYS A 61 3.447 10.313 -5.448 1.00 0.00 C ATOM 839 SG CYS A 61 2.163 9.080 -5.025 1.00 0.00 S ATOM 0 H CYS A 61 1.436 11.413 -6.436 1.00 0.00 H new ATOM 0 HA CYS A 61 4.171 11.375 -7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.436 9.906 -5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.329 11.200 -4.826 1.00 0.00 H new ATOM 0 HG CYS A 61 1.101 9.295 -5.743 1.00 0.00 H new ATOM 845 N GLY A 62 2.329 8.828 -8.067 1.00 0.00 N ATOM 846 CA GLY A 62 2.295 7.649 -8.917 1.00 0.00 C ATOM 847 C GLY A 62 3.177 6.537 -8.346 1.00 0.00 C ATOM 848 O GLY A 62 3.851 5.830 -9.094 1.00 0.00 O ATOM 0 H GLY A 62 1.426 9.099 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.269 7.293 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.635 7.909 -9.920 1.00 0.00 H new ATOM 852 N VAL A 63 3.144 6.417 -7.027 1.00 0.00 N ATOM 853 CA VAL A 63 3.932 5.402 -6.348 1.00 0.00 C ATOM 854 C VAL A 63 3.000 4.317 -5.805 1.00 0.00 C ATOM 855 O VAL A 63 3.428 3.189 -5.566 1.00 0.00 O ATOM 856 CB VAL A 63 4.793 6.049 -5.262 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.775 7.055 -5.867 1.00 0.00 C ATOM 858 CG2 VAL A 63 3.921 6.709 -4.192 1.00 0.00 C ATOM 0 H VAL A 63 2.584 7.006 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 63 4.618 4.921 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 63 5.374 5.262 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.375 7.500 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.430 6.545 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.221 7.837 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.558 7.161 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.301 7.479 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.282 5.957 -3.729 1.00 0.00 H new ATOM 868 N LEU A 64 1.743 4.697 -5.627 1.00 0.00 N ATOM 869 CA LEU A 64 0.747 3.770 -5.117 1.00 0.00 C ATOM 870 C LEU A 64 -0.011 3.145 -6.291 1.00 0.00 C ATOM 871 O LEU A 64 -0.371 3.838 -7.241 1.00 0.00 O ATOM 872 CB LEU A 64 -0.160 4.465 -4.100 1.00 0.00 C ATOM 873 CG LEU A 64 0.549 5.278 -3.014 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.097 6.656 -2.852 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.594 4.507 -1.694 1.00 0.00 C ATOM 0 H LEU A 64 1.392 5.634 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 64 1.227 2.954 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.836 5.128 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.776 3.708 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 64 1.580 5.441 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.425 7.214 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.033 7.201 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.144 6.537 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.103 5.107 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.422 4.293 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.133 3.571 -1.838 1.00 0.00 H new ATOM 887 N GLN A 65 -0.231 1.843 -6.185 1.00 0.00 N ATOM 888 CA GLN A 65 -0.940 1.117 -7.226 1.00 0.00 C ATOM 889 C GLN A 65 -2.274 0.592 -6.692 1.00 0.00 C ATOM 890 O GLN A 65 -2.412 0.339 -5.496 1.00 0.00 O ATOM 891 CB GLN A 65 -0.083 -0.023 -7.780 1.00 0.00 C ATOM 892 CG GLN A 65 0.968 0.506 -8.758 1.00 0.00 C ATOM 893 CD GLN A 65 1.215 -0.492 -9.891 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.081 -1.349 -9.820 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.407 -0.335 -10.936 1.00 0.00 N ATOM 0 H GLN A 65 0.069 1.272 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.145 1.804 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.409 -0.545 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.720 -0.750 -8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.637 1.458 -9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.901 0.697 -8.227 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.297 0.403 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.491 -0.953 -11.743 1.00 0.00 H new ATOM 904 N ILE A 66 -3.222 0.443 -7.605 1.00 0.00 N ATOM 905 CA ILE A 66 -4.541 -0.049 -7.241 1.00 0.00 C ATOM 906 C ILE A 66 -4.429 -1.504 -6.784 1.00 0.00 C ATOM 907 O ILE A 66 -4.103 -2.385 -7.579 1.00 0.00 O ATOM 908 CB ILE A 66 -5.527 0.161 -8.392 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.737 1.651 -8.669 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.847 -0.563 -8.121 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.801 2.237 -7.738 1.00 0.00 C ATOM 0 H ILE A 66 -3.104 0.654 -8.596 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.942 0.519 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.098 -0.277 -9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.797 2.186 -8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.039 1.793 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.530 -0.398 -8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.660 -1.631 -8.011 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.292 -0.177 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.931 3.297 -7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.746 1.716 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.485 2.115 -6.702 1.00 0.00 H new ATOM 923 N GLY A 67 -4.707 -1.713 -5.506 1.00 0.00 N ATOM 924 CA GLY A 67 -4.642 -3.047 -4.934 1.00 0.00 C ATOM 925 C GLY A 67 -3.241 -3.345 -4.395 1.00 0.00 C ATOM 926 O GLY A 67 -2.821 -4.500 -4.354 1.00 0.00 O ATOM 0 H GLY A 67 -4.978 -0.981 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.372 -3.138 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.909 -3.785 -5.691 1.00 0.00 H new ATOM 930 N ASP A 68 -2.557 -2.283 -3.995 1.00 0.00 N ATOM 931 CA ASP A 68 -1.213 -2.417 -3.461 1.00 0.00 C ATOM 932 C ASP A 68 -1.247 -3.315 -2.223 1.00 0.00 C ATOM 933 O ASP A 68 -2.200 -4.068 -2.024 1.00 0.00 O ATOM 934 CB ASP A 68 -0.649 -1.057 -3.043 1.00 0.00 C ATOM 935 CG ASP A 68 0.817 -0.823 -3.415 1.00 0.00 C ATOM 936 OD1 ASP A 68 1.533 -1.837 -3.567 1.00 0.00 O ATOM 937 OD2 ASP A 68 1.188 0.364 -3.540 1.00 0.00 O ATOM 0 H ASP A 68 -2.909 -1.326 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.582 -2.846 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.254 -0.274 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.755 -0.953 -1.963 1.00 0.00 H new ATOM 942 N ARG A 69 -0.198 -3.205 -1.422 1.00 0.00 N ATOM 943 CA ARG A 69 -0.096 -3.998 -0.209 1.00 0.00 C ATOM 944 C ARG A 69 0.535 -3.172 0.914 1.00 0.00 C ATOM 945 O ARG A 69 1.758 -3.100 1.024 1.00 0.00 O ATOM 946 CB ARG A 69 0.744 -5.256 -0.441 1.00 0.00 C ATOM 947 CG ARG A 69 1.864 -4.988 -1.449 1.00 0.00 C ATOM 948 CD ARG A 69 1.328 -5.013 -2.883 1.00 0.00 C ATOM 949 NE ARG A 69 2.352 -5.567 -3.796 1.00 0.00 N ATOM 950 CZ ARG A 69 3.311 -4.837 -4.381 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.384 -3.519 -4.151 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.198 -5.424 -5.196 1.00 0.00 N ATOM 0 H ARG A 69 0.589 -2.578 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.105 -4.296 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.172 -5.591 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.106 -6.061 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.319 -4.019 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.647 -5.738 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.422 -5.616 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.057 -4.005 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 69 2.326 -6.568 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.709 -3.071 -3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.114 -2.963 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.143 -6.427 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.928 -4.867 -5.641 1.00 0.00 H new ATOM 966 N VAL A 70 -0.328 -2.570 1.719 1.00 0.00 N ATOM 967 CA VAL A 70 0.129 -1.751 2.829 1.00 0.00 C ATOM 968 C VAL A 70 0.431 -2.651 4.029 1.00 0.00 C ATOM 969 O VAL A 70 -0.459 -3.328 4.541 1.00 0.00 O ATOM 970 CB VAL A 70 -0.905 -0.667 3.140 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.154 -1.269 3.785 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.303 0.426 4.026 1.00 0.00 C ATOM 0 H VAL A 70 -1.342 -2.633 1.625 1.00 0.00 H new ATOM 0 HA VAL A 70 1.053 -1.235 2.568 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.203 -0.208 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.872 -0.477 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.602 -1.993 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.879 -1.766 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.058 1.184 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.037 -0.012 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.542 0.886 3.513 1.00 0.00 H new ATOM 982 N MET A 71 1.690 -2.628 4.443 1.00 0.00 N ATOM 983 CA MET A 71 2.121 -3.433 5.573 1.00 0.00 C ATOM 984 C MET A 71 1.899 -2.689 6.892 1.00 0.00 C ATOM 985 O MET A 71 1.872 -3.303 7.958 1.00 0.00 O ATOM 986 CB MET A 71 3.604 -3.773 5.422 1.00 0.00 C ATOM 987 CG MET A 71 3.919 -4.234 3.997 1.00 0.00 C ATOM 988 SD MET A 71 3.203 -5.843 3.704 1.00 0.00 S ATOM 989 CE MET A 71 4.070 -6.798 4.938 1.00 0.00 C ATOM 0 H MET A 71 2.425 -2.064 4.016 1.00 0.00 H new ATOM 0 HA MET A 71 1.530 -4.349 5.590 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.208 -2.899 5.667 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.875 -4.556 6.130 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.526 -3.515 3.278 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.998 -4.275 3.849 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.320 -7.778 4.531 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.985 -6.279 5.223 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.435 -6.921 5.815 1.00 0.00 H new ATOM 999 N ALA A 72 1.746 -1.379 6.777 1.00 0.00 N ATOM 1000 CA ALA A 72 1.527 -0.545 7.946 1.00 0.00 C ATOM 1001 C ALA A 72 1.055 0.840 7.499 1.00 0.00 C ATOM 1002 O ALA A 72 1.113 1.167 6.315 1.00 0.00 O ATOM 1003 CB ALA A 72 2.811 -0.483 8.777 1.00 0.00 C ATOM 0 H ALA A 72 1.769 -0.874 5.891 1.00 0.00 H new ATOM 0 HA ALA A 72 0.748 -0.970 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.647 0.143 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.087 -1.488 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.614 -0.059 8.174 1.00 0.00 H new ATOM 1009 N ILE A 73 0.599 1.617 8.471 1.00 0.00 N ATOM 1010 CA ILE A 73 0.117 2.959 8.192 1.00 0.00 C ATOM 1011 C ILE A 73 0.601 3.908 9.291 1.00 0.00 C ATOM 1012 O ILE A 73 0.013 3.966 10.369 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.402 2.956 8.007 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.814 2.017 6.872 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -1.932 4.376 7.798 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.328 2.047 6.658 1.00 0.00 C ATOM 0 H ILE A 73 0.553 1.343 9.452 1.00 0.00 H new ATOM 0 HA ILE A 73 0.528 3.323 7.251 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.857 2.575 8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.307 2.309 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.496 1.000 7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.014 4.345 7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.687 4.987 8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.473 4.809 6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.594 1.371 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.831 1.732 7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.639 3.060 6.404 1.00 0.00 H new ATOM 1028 N ASN A 74 1.668 4.628 8.978 1.00 0.00 N ATOM 1029 CA ASN A 74 2.238 5.572 9.925 1.00 0.00 C ATOM 1030 C ASN A 74 2.949 4.802 11.040 1.00 0.00 C ATOM 1031 O ASN A 74 3.264 5.368 12.086 1.00 0.00 O ATOM 1032 CB ASN A 74 1.149 6.434 10.567 1.00 0.00 C ATOM 1033 CG ASN A 74 1.393 7.919 10.293 1.00 0.00 C ATOM 1034 OD1 ASN A 74 2.256 8.551 10.880 1.00 0.00 O ATOM 1035 ND2 ASN A 74 0.587 8.439 9.372 1.00 0.00 N ATOM 0 H ASN A 74 2.153 4.577 8.082 1.00 0.00 H new ATOM 0 HA ASN A 74 2.934 6.213 9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.173 6.144 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.127 6.258 11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.670 9.423 9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.115 7.853 8.919 1.00 0.00 H new ATOM 1042 N GLY A 75 3.182 3.525 10.778 1.00 0.00 N ATOM 1043 CA GLY A 75 3.851 2.672 11.746 1.00 0.00 C ATOM 1044 C GLY A 75 2.859 1.715 12.410 1.00 0.00 C ATOM 1045 O GLY A 75 3.262 0.760 13.074 1.00 0.00 O ATOM 0 H GLY A 75 2.920 3.060 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.637 2.101 11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.333 3.287 12.506 1.00 0.00 H new ATOM 1049 N ILE A 76 1.582 2.003 12.208 1.00 0.00 N ATOM 1050 CA ILE A 76 0.530 1.179 12.780 1.00 0.00 C ATOM 1051 C ILE A 76 0.475 -0.158 12.038 1.00 0.00 C ATOM 1052 O ILE A 76 0.649 -0.204 10.821 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.800 1.936 12.784 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.715 3.189 13.657 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.951 1.020 13.206 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -2.110 3.669 14.065 1.00 0.00 C ATOM 0 H ILE A 76 1.252 2.795 11.657 1.00 0.00 H new ATOM 0 HA ILE A 76 0.746 0.955 13.825 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.008 2.266 11.766 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.125 2.976 14.548 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.199 3.981 13.114 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.885 1.583 13.200 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.026 0.185 12.509 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.763 0.639 14.210 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.021 4.561 14.685 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.689 3.904 13.172 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.614 2.884 14.629 1.00 0.00 H new ATOM 1068 N PRO A 77 0.225 -1.240 12.822 1.00 0.00 N ATOM 1069 CA PRO A 77 0.145 -2.575 12.252 1.00 0.00 C ATOM 1070 C PRO A 77 -1.173 -2.772 11.501 1.00 0.00 C ATOM 1071 O PRO A 77 -2.247 -2.710 12.098 1.00 0.00 O ATOM 1072 CB PRO A 77 0.302 -3.517 13.434 1.00 0.00 C ATOM 1073 CG PRO A 77 -0.002 -2.688 14.672 1.00 0.00 C ATOM 1074 CD PRO A 77 0.014 -1.223 14.267 1.00 0.00 C ATOM 0 HA PRO A 77 0.918 -2.761 11.506 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.381 -4.362 13.353 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.312 -3.926 13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.974 -2.960 15.084 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.738 -2.877 15.449 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.924 -0.731 14.524 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.810 -0.680 14.777 1.00 0.00 H new ATOM 1082 N THR A 78 -1.048 -3.004 10.203 1.00 0.00 N ATOM 1083 CA THR A 78 -2.216 -3.211 9.364 1.00 0.00 C ATOM 1084 C THR A 78 -2.705 -4.656 9.476 1.00 0.00 C ATOM 1085 O THR A 78 -2.568 -5.437 8.536 1.00 0.00 O ATOM 1086 CB THR A 78 -1.851 -2.803 7.935 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.540 -3.329 7.749 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.670 -1.291 7.786 1.00 0.00 C ATOM 0 H THR A 78 -0.156 -3.053 9.711 1.00 0.00 H new ATOM 0 HA THR A 78 -3.051 -2.592 9.691 1.00 0.00 H new ATOM 0 HB THR A 78 -2.627 -3.145 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.471 -3.726 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.412 -1.055 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.598 -0.785 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.871 -0.953 8.446 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.266 -4.969 10.635 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.776 -6.307 10.883 1.00 0.00 C ATOM 1098 C GLU A 79 -4.453 -6.371 12.254 1.00 0.00 C ATOM 1099 O GLU A 79 -5.508 -6.986 12.401 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.661 -7.348 10.773 1.00 0.00 C ATOM 1101 CG GLU A 79 -3.205 -8.761 10.993 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.079 -9.795 10.953 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -1.300 -9.824 11.930 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -2.022 -10.534 9.946 1.00 0.00 O ATOM 0 H GLU A 79 -3.379 -4.319 11.413 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.520 -6.538 10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.194 -7.283 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.886 -7.135 11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.716 -8.812 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.944 -8.993 10.226 1.00 0.00 H new ATOM 1111 N ASP A 80 -3.819 -5.727 13.223 1.00 0.00 N ATOM 1112 CA ASP A 80 -4.347 -5.704 14.576 1.00 0.00 C ATOM 1113 C ASP A 80 -5.703 -4.996 14.578 1.00 0.00 C ATOM 1114 O ASP A 80 -6.685 -5.529 15.091 1.00 0.00 O ATOM 1115 CB ASP A 80 -3.414 -4.940 15.518 1.00 0.00 C ATOM 1116 CG ASP A 80 -3.162 -5.617 16.867 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -3.465 -6.826 16.961 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -2.671 -4.910 17.774 1.00 0.00 O ATOM 0 H ASP A 80 -2.944 -5.217 13.098 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.441 -6.734 14.919 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.457 -4.794 15.017 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.834 -3.950 15.698 1.00 0.00 H new ATOM 1123 N SER A 81 -5.714 -3.805 13.997 1.00 0.00 N ATOM 1124 CA SER A 81 -6.933 -3.018 13.925 1.00 0.00 C ATOM 1125 C SER A 81 -7.837 -3.555 12.814 1.00 0.00 C ATOM 1126 O SER A 81 -7.655 -4.679 12.349 1.00 0.00 O ATOM 1127 CB SER A 81 -6.621 -1.539 13.688 1.00 0.00 C ATOM 1128 OG SER A 81 -5.528 -1.089 14.484 1.00 0.00 O ATOM 0 H SER A 81 -4.897 -3.366 13.572 1.00 0.00 H new ATOM 0 HA SER A 81 -7.452 -3.103 14.880 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.391 -1.382 12.634 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.504 -0.942 13.914 1.00 0.00 H new ATOM 0 HG SER A 81 -5.631 -0.132 14.670 1.00 0.00 H new ATOM 1134 N THR A 82 -8.793 -2.726 12.420 1.00 0.00 N ATOM 1135 CA THR A 82 -9.726 -3.103 11.372 1.00 0.00 C ATOM 1136 C THR A 82 -9.731 -2.053 10.259 1.00 0.00 C ATOM 1137 O THR A 82 -9.146 -0.982 10.409 1.00 0.00 O ATOM 1138 CB THR A 82 -11.098 -3.314 12.014 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.589 -1.994 12.227 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.001 -3.907 13.422 1.00 0.00 C ATOM 0 H THR A 82 -8.941 -1.794 12.808 1.00 0.00 H new ATOM 0 HA THR A 82 -9.428 -4.036 10.894 1.00 0.00 H new ATOM 0 HB THR A 82 -11.696 -3.972 11.383 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.477 -2.038 12.639 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.003 -4.036 13.832 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.500 -4.874 13.376 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.431 -3.233 14.062 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.398 -2.398 9.167 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.487 -1.498 8.030 1.00 0.00 C ATOM 1150 C PHE A 83 -11.018 -0.128 8.454 1.00 0.00 C ATOM 1151 O PHE A 83 -10.710 0.883 7.826 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.468 -2.127 7.038 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.142 -1.119 6.105 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.257 -0.456 6.513 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.626 -0.886 4.869 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.883 0.480 5.647 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.252 0.050 4.003 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.367 0.713 4.411 1.00 0.00 C ATOM 0 H PHE A 83 -10.882 -3.288 9.046 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.499 -1.355 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.937 -2.865 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.237 -2.663 7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.666 -0.641 7.495 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.740 -1.412 4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.769 1.006 5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.843 0.235 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.843 1.425 3.753 1.00 0.00 H new ATOM 1168 N GLU A 84 -11.807 -0.138 9.519 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.384 1.091 10.035 1.00 0.00 C ATOM 1170 C GLU A 84 -11.290 1.985 10.623 1.00 0.00 C ATOM 1171 O GLU A 84 -11.368 3.209 10.531 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.467 0.795 11.074 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.845 0.696 10.416 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.947 1.135 11.383 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.242 2.350 11.393 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.470 0.246 12.089 1.00 0.00 O ATOM 0 H GLU A 84 -12.060 -0.979 10.038 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.856 1.623 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.238 -0.138 11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.476 1.581 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.871 1.319 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.026 -0.330 10.094 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.296 1.338 11.214 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.188 2.059 11.817 1.00 0.00 C ATOM 1185 C GLU A 85 -8.296 2.665 10.732 1.00 0.00 C ATOM 1186 O GLU A 85 -8.096 3.878 10.693 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.381 1.148 12.744 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.546 1.569 14.206 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.189 1.857 14.850 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.198 1.259 14.378 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.173 2.669 15.800 1.00 0.00 O ATOM 0 H GLU A 85 -10.235 0.323 11.288 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.594 2.870 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.708 0.116 12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.327 1.184 12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.176 2.457 14.264 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.055 0.780 14.760 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.783 1.792 9.876 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.917 2.226 8.794 1.00 0.00 C ATOM 1200 C ALA A 86 -7.498 3.490 8.157 1.00 0.00 C ATOM 1201 O ALA A 86 -6.811 4.504 8.041 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.751 1.088 7.784 1.00 0.00 C ATOM 0 H ALA A 86 -7.951 0.787 9.911 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.925 2.473 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.101 1.414 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.308 0.224 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.726 0.814 7.381 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.758 3.389 7.761 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.440 4.511 7.138 1.00 0.00 C ATOM 1210 C ASN A 87 -9.300 5.746 8.032 1.00 0.00 C ATOM 1211 O ASN A 87 -8.976 6.831 7.551 1.00 0.00 O ATOM 1212 CB ASN A 87 -10.931 4.221 6.963 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.594 5.275 6.073 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.394 6.469 6.226 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.391 4.769 5.137 1.00 0.00 N ATOM 0 H ASN A 87 -9.325 2.547 7.859 1.00 0.00 H new ATOM 0 HA ASN A 87 -8.989 4.680 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.064 3.233 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.419 4.204 7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.879 5.391 4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.514 3.759 5.064 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.551 5.539 9.316 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.457 6.622 10.281 1.00 0.00 C ATOM 1224 C GLN A 88 -8.042 7.203 10.291 1.00 0.00 C ATOM 1225 O GLN A 88 -7.866 8.416 10.383 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.866 6.148 11.677 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.003 7.006 12.235 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.174 7.070 11.253 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.690 8.128 10.930 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.564 5.883 10.796 1.00 0.00 N ATOM 0 H GLN A 88 -9.819 4.638 9.711 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.149 7.410 9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.180 5.105 11.634 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.008 6.195 12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.342 6.593 13.185 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.638 8.013 12.437 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.089 5.036 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.338 5.820 10.135 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.069 6.308 10.194 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.674 6.717 10.191 1.00 0.00 C ATOM 1241 C LEU A 89 -5.475 7.827 9.157 1.00 0.00 C ATOM 1242 O LEU A 89 -4.761 8.796 9.411 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.762 5.507 9.978 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.950 4.345 10.954 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.841 3.304 10.789 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.052 4.850 12.395 1.00 0.00 C ATOM 0 H LEU A 89 -7.219 5.302 10.117 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.396 7.130 11.160 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.917 5.134 8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.727 5.842 10.039 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.893 3.851 10.718 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.999 2.489 11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.858 2.912 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.874 3.769 10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.185 4.003 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.139 5.384 12.659 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.905 5.523 12.485 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.119 7.649 8.013 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.022 8.624 6.940 1.00 0.00 C ATOM 1260 C LEU A 90 -6.619 9.952 7.408 1.00 0.00 C ATOM 1261 O LEU A 90 -5.974 10.995 7.311 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.661 8.079 5.661 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.995 6.842 5.053 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.377 6.682 3.580 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.478 6.884 5.250 1.00 0.00 C ATOM 0 H LEU A 90 -6.710 6.844 7.806 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.978 8.814 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.703 7.839 5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.662 8.872 4.913 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.364 5.962 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.891 5.796 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.458 6.574 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.055 7.562 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.029 5.994 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.073 7.773 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.250 6.915 6.315 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.845 9.871 7.904 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.537 11.054 8.387 1.00 0.00 C ATOM 1279 C ARG A 91 -7.748 11.702 9.526 1.00 0.00 C ATOM 1280 O ARG A 91 -7.710 12.926 9.642 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.943 10.707 8.881 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.778 10.080 7.763 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.271 10.325 7.991 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.883 10.892 6.769 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.535 12.069 6.231 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -11.576 12.810 6.803 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -13.144 12.504 5.120 1.00 0.00 N ATOM 0 H ARG A 91 -8.377 9.004 7.982 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.620 11.753 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.877 10.016 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.436 11.608 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.479 10.499 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.584 9.008 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.765 9.390 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.412 11.008 8.829 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.616 10.353 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.111 12.478 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.311 13.706 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.873 11.939 4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.879 13.400 4.711 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.138 10.852 10.339 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.353 11.327 11.466 1.00 0.00 C ATOM 1303 C ASP A 92 -4.991 11.812 10.964 1.00 0.00 C ATOM 1304 O ASP A 92 -4.322 12.596 11.635 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.111 10.207 12.479 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.060 10.657 13.941 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.797 11.860 14.155 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -6.284 9.788 14.811 1.00 0.00 O ATOM 0 H ASP A 92 -7.171 9.837 10.240 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.906 12.135 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.900 9.463 12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.171 9.713 12.234 1.00 0.00 H new ATOM 1313 N SER A 93 -4.622 11.327 9.788 1.00 0.00 N ATOM 1314 CA SER A 93 -3.353 11.701 9.189 1.00 0.00 C ATOM 1315 C SER A 93 -3.511 13.002 8.399 1.00 0.00 C ATOM 1316 O SER A 93 -2.521 13.621 8.010 1.00 0.00 O ATOM 1317 CB SER A 93 -2.823 10.590 8.280 1.00 0.00 C ATOM 1318 OG SER A 93 -2.322 9.484 9.027 1.00 0.00 O ATOM 0 H SER A 93 -5.180 10.678 9.234 1.00 0.00 H new ATOM 0 HA SER A 93 -2.629 11.854 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.621 10.250 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.031 10.988 7.645 1.00 0.00 H new ATOM 0 HG SER A 93 -3.036 9.120 9.591 1.00 0.00 H new ATOM 1324 N SER A 94 -4.763 13.378 8.184 1.00 0.00 N ATOM 1325 CA SER A 94 -5.063 14.594 7.448 1.00 0.00 C ATOM 1326 C SER A 94 -4.834 15.816 8.339 1.00 0.00 C ATOM 1327 O SER A 94 -4.649 16.926 7.842 1.00 0.00 O ATOM 1328 CB SER A 94 -6.501 14.581 6.924 1.00 0.00 C ATOM 1329 OG SER A 94 -6.657 13.697 5.818 1.00 0.00 O ATOM 0 H SER A 94 -5.581 12.862 8.507 1.00 0.00 H new ATOM 0 HA SER A 94 -4.393 14.648 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.176 14.282 7.726 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.787 15.589 6.626 1.00 0.00 H new ATOM 0 HG SER A 94 -5.784 13.327 5.569 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.855 15.571 9.641 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.653 16.638 10.607 1.00 0.00 C ATOM 1337 C ILE A 95 -3.327 17.342 10.312 1.00 0.00 C ATOM 1338 O ILE A 95 -3.309 18.527 9.982 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.756 16.096 12.034 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -6.218 15.909 12.444 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.995 16.988 13.016 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -6.332 14.993 13.665 1.00 0.00 C ATOM 0 H ILE A 95 -5.009 14.649 10.050 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.440 17.387 10.517 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.285 15.113 12.061 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.663 16.878 12.669 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.781 15.485 11.613 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.085 16.580 14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.943 17.027 12.732 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.414 17.994 12.994 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.381 14.877 13.936 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.908 14.017 13.429 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.788 15.432 14.501 1.00 0.00 H new ATOM 1354 N THR A 96 -2.249 16.583 10.441 1.00 0.00 N ATOM 1355 CA THR A 96 -0.922 17.120 10.192 1.00 0.00 C ATOM 1356 C THR A 96 -0.729 17.396 8.699 1.00 0.00 C ATOM 1357 O THR A 96 0.282 17.969 8.295 1.00 0.00 O ATOM 1358 CB THR A 96 0.101 16.136 10.764 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.361 16.723 10.448 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.113 14.802 10.016 1.00 0.00 C ATOM 0 H THR A 96 -2.267 15.601 10.715 1.00 0.00 H new ATOM 0 HA THR A 96 -0.785 18.081 10.689 1.00 0.00 H new ATOM 0 HB THR A 96 -0.116 15.959 11.817 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.244 17.385 9.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.856 14.141 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.871 14.339 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.363 14.974 8.969 1.00 0.00 H new ATOM 1368 N SER A 97 -1.715 16.976 7.920 1.00 0.00 N ATOM 1369 CA SER A 97 -1.667 17.171 6.481 1.00 0.00 C ATOM 1370 C SER A 97 -0.586 16.279 5.868 1.00 0.00 C ATOM 1371 O SER A 97 -0.009 16.617 4.836 1.00 0.00 O ATOM 1372 CB SER A 97 -1.406 18.638 6.133 1.00 0.00 C ATOM 1373 OG SER A 97 -2.557 19.267 5.576 1.00 0.00 O ATOM 0 H SER A 97 -2.552 16.501 8.258 1.00 0.00 H new ATOM 0 HA SER A 97 -2.636 16.894 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.098 19.174 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.580 18.701 5.425 1.00 0.00 H new ATOM 0 HG SER A 97 -2.351 20.202 5.369 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.345 15.156 6.529 1.00 0.00 N ATOM 1380 CA LYS A 98 0.656 14.213 6.062 1.00 0.00 C ATOM 1381 C LYS A 98 0.219 12.792 6.422 1.00 0.00 C ATOM 1382 O LYS A 98 -0.425 12.577 7.448 1.00 0.00 O ATOM 1383 CB LYS A 98 2.038 14.587 6.603 1.00 0.00 C ATOM 1384 CG LYS A 98 3.094 14.528 5.497 1.00 0.00 C ATOM 1385 CD LYS A 98 4.364 15.274 5.911 1.00 0.00 C ATOM 1386 CE LYS A 98 5.056 15.894 4.696 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.635 17.212 5.045 1.00 0.00 N ATOM 0 H LYS A 98 -0.826 14.878 7.384 1.00 0.00 H new ATOM 0 HA LYS A 98 0.742 14.255 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.007 15.590 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.313 13.908 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.335 13.489 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.693 14.965 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.114 16.055 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.047 14.587 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.842 15.228 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.340 16.009 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.101 17.619 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.878 17.850 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.333 17.094 5.807 1.00 0.00 H new ATOM 1401 N VAL A 99 0.587 11.857 5.558 1.00 0.00 N ATOM 1402 CA VAL A 99 0.241 10.462 5.771 1.00 0.00 C ATOM 1403 C VAL A 99 1.419 9.579 5.355 1.00 0.00 C ATOM 1404 O VAL A 99 2.075 9.847 4.350 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.053 10.124 5.027 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.868 10.265 3.515 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.544 8.721 5.391 1.00 0.00 C ATOM 0 H VAL A 99 1.122 12.039 4.709 1.00 0.00 H new ATOM 0 HA VAL A 99 0.051 10.273 6.828 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.816 10.837 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.802 10.019 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.586 11.291 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.084 9.586 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.465 8.506 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.784 7.988 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.734 8.669 6.463 1.00 0.00 H new ATOM 1417 N THR A 100 1.651 8.544 6.148 1.00 0.00 N ATOM 1418 CA THR A 100 2.738 7.620 5.874 1.00 0.00 C ATOM 1419 C THR A 100 2.199 6.198 5.703 1.00 0.00 C ATOM 1420 O THR A 100 1.711 5.596 6.658 1.00 0.00 O ATOM 1421 CB THR A 100 3.763 7.749 7.002 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.320 9.047 6.818 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.954 6.804 6.822 1.00 0.00 C ATOM 0 H THR A 100 1.105 8.325 6.981 1.00 0.00 H new ATOM 0 HA THR A 100 3.235 7.861 4.934 1.00 0.00 H new ATOM 0 HB THR A 100 3.279 7.546 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.994 9.215 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.651 6.936 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.601 5.773 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.459 7.030 5.883 1.00 0.00 H new ATOM 1431 N LEU A 101 2.306 5.703 4.479 1.00 0.00 N ATOM 1432 CA LEU A 101 1.836 4.363 4.169 1.00 0.00 C ATOM 1433 C LEU A 101 3.035 3.463 3.867 1.00 0.00 C ATOM 1434 O LEU A 101 3.898 3.821 3.066 1.00 0.00 O ATOM 1435 CB LEU A 101 0.799 4.405 3.045 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.354 5.394 3.232 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.096 5.128 4.543 1.00 0.00 C ATOM 1438 CD2 LEU A 101 0.141 6.838 3.135 1.00 0.00 C ATOM 0 H LEU A 101 2.711 6.206 3.690 1.00 0.00 H new ATOM 0 HA LEU A 101 1.323 3.932 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.311 4.647 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.379 3.406 2.928 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.068 5.244 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.910 5.844 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.501 4.116 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.406 5.234 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.698 7.520 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.886 7.020 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.588 7.004 2.155 1.00 0.00 H new ATOM 1450 N GLU A 102 3.052 2.312 4.523 1.00 0.00 N ATOM 1451 CA GLU A 102 4.131 1.358 4.334 1.00 0.00 C ATOM 1452 C GLU A 102 3.713 0.273 3.340 1.00 0.00 C ATOM 1453 O GLU A 102 2.890 -0.583 3.661 1.00 0.00 O ATOM 1454 CB GLU A 102 4.560 0.744 5.668 1.00 0.00 C ATOM 1455 CG GLU A 102 6.002 0.237 5.600 1.00 0.00 C ATOM 1456 CD GLU A 102 6.834 0.793 6.758 1.00 0.00 C ATOM 1457 OE1 GLU A 102 7.363 1.913 6.590 1.00 0.00 O ATOM 1458 OE2 GLU A 102 6.922 0.085 7.784 1.00 0.00 O ATOM 0 H GLU A 102 2.335 2.019 5.187 1.00 0.00 H new ATOM 0 HA GLU A 102 4.990 1.888 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.469 1.487 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.893 -0.079 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.010 -0.853 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.450 0.531 4.651 1.00 0.00 H new ATOM 1465 N ILE A 103 4.298 0.344 2.154 1.00 0.00 N ATOM 1466 CA ILE A 103 3.996 -0.622 1.111 1.00 0.00 C ATOM 1467 C ILE A 103 5.156 -1.612 0.988 1.00 0.00 C ATOM 1468 O ILE A 103 6.267 -1.330 1.434 1.00 0.00 O ATOM 1469 CB ILE A 103 3.655 0.092 -0.198 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.512 1.089 0.003 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.349 -0.915 -1.308 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.154 0.386 -0.063 1.00 0.00 C ATOM 0 H ILE A 103 4.980 1.056 1.892 1.00 0.00 H new ATOM 0 HA ILE A 103 3.109 -1.200 1.372 1.00 0.00 H new ATOM 0 HB ILE A 103 4.528 0.663 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.622 1.585 0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.562 1.864 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.110 -0.381 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.219 -1.550 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.500 -1.532 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.359 1.117 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.037 -0.088 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.098 -0.372 0.718 1.00 0.00 H new ATOM 1484 N GLU A 104 4.858 -2.751 0.380 1.00 0.00 N ATOM 1485 CA GLU A 104 5.863 -3.784 0.192 1.00 0.00 C ATOM 1486 C GLU A 104 5.853 -4.276 -1.256 1.00 0.00 C ATOM 1487 O GLU A 104 4.790 -4.523 -1.825 1.00 0.00 O ATOM 1488 CB GLU A 104 5.646 -4.943 1.167 1.00 0.00 C ATOM 1489 CG GLU A 104 6.383 -6.199 0.698 1.00 0.00 C ATOM 1490 CD GLU A 104 6.373 -7.278 1.783 1.00 0.00 C ATOM 1491 OE1 GLU A 104 5.388 -8.047 1.808 1.00 0.00 O ATOM 1492 OE2 GLU A 104 7.350 -7.309 2.562 1.00 0.00 O ATOM 0 H GLU A 104 3.935 -2.981 0.011 1.00 0.00 H new ATOM 0 HA GLU A 104 6.842 -3.354 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.998 -4.659 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.580 -5.154 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.913 -6.584 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.412 -5.947 0.441 1.00 0.00 H new ATOM 1499 N PHE A 105 7.049 -4.405 -1.812 1.00 0.00 N ATOM 1500 CA PHE A 105 7.191 -4.864 -3.184 1.00 0.00 C ATOM 1501 C PHE A 105 8.246 -5.967 -3.286 1.00 0.00 C ATOM 1502 O PHE A 105 8.843 -6.355 -2.283 1.00 0.00 O ATOM 1503 CB PHE A 105 7.647 -3.661 -4.013 1.00 0.00 C ATOM 1504 CG PHE A 105 8.745 -2.828 -3.349 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.459 -2.078 -2.251 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.006 -2.837 -3.856 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.478 -1.304 -1.635 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.025 -2.064 -3.240 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.740 -1.314 -2.142 1.00 0.00 C ATOM 0 H PHE A 105 7.928 -4.200 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 105 6.244 -5.269 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.007 -4.014 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.787 -3.020 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.457 -2.071 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.233 -3.433 -4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.251 -0.707 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.027 -2.072 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.515 -0.727 -1.673 1.00 0.00 H new ATOM 1519 N ASP A 106 8.442 -6.443 -4.507 1.00 0.00 N ATOM 1520 CA ASP A 106 9.414 -7.494 -4.753 1.00 0.00 C ATOM 1521 C ASP A 106 10.659 -6.890 -5.406 1.00 0.00 C ATOM 1522 O ASP A 106 10.559 -5.930 -6.170 1.00 0.00 O ATOM 1523 CB ASP A 106 8.850 -8.555 -5.701 1.00 0.00 C ATOM 1524 CG ASP A 106 8.097 -8.003 -6.913 1.00 0.00 C ATOM 1525 OD1 ASP A 106 6.899 -7.691 -6.743 1.00 0.00 O ATOM 1526 OD2 ASP A 106 8.737 -7.907 -7.983 1.00 0.00 O ATOM 0 H ASP A 106 7.944 -6.120 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 106 9.658 -7.957 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.671 -9.178 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.178 -9.203 -5.139 1.00 0.00 H new