USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -53:sc= 0.0951 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0.0839 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.438 USER MOD Set 2.2: A 77 SER OG : rot 97:sc= 1.19 USER MOD Set 3.1: A 30 SER OG : rot 88:sc= 0.0709 USER MOD Set 3.2: A 33 SER OG : rot -132:sc= -2.94! USER MOD Single : A 16 SER OG : rot 28:sc= 0.00486 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.37! C(o=-2.4!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.6!) USER MOD Single : A 50 SER OG : rot 9:sc= 0.68 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.488) USER MOD Single : A 57 LYS NZ :NH3+ -140:sc= -0.191 (180deg=-1.72!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 145:sc= -0.0119 (180deg=-0.36) USER MOD Single : A 88 SER OG : rot 180:sc= -0.523 USER MOD Single : A 89 TYR OH : rot -127:sc= 0.024 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.32! C(o=-6.3!,f=-22!) USER MOD Single : A 98 MET CE :methyl -148:sc= -0.673 (180deg=-3.28!) USER MOD Single : A 102 SER OG : rot 78:sc= 0.861 USER MOD Single : A 105 SER OG : rot 100:sc= 0.955 USER MOD Single : A 108 SER OG : rot 88:sc= -0.612 USER MOD Single : A 114 SER OG : rot -56:sc=0.000231 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.518 -12.968 -2.098 1.00 0.00 N ATOM 170 CA LEU A 15 -19.131 -12.783 -1.685 1.00 0.00 C ATOM 171 C LEU A 15 -18.881 -11.345 -1.245 1.00 0.00 C ATOM 172 O LEU A 15 -19.806 -10.535 -1.182 1.00 0.00 O ATOM 173 CB LEU A 15 -18.186 -13.150 -2.829 1.00 0.00 C ATOM 174 CG LEU A 15 -17.781 -14.622 -2.921 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.421 -14.989 -4.352 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.618 -14.915 -1.984 1.00 0.00 C ATOM 0 HA LEU A 15 -18.939 -13.441 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.658 -12.865 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.281 -12.550 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.631 -15.232 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.136 -16.040 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.282 -14.819 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.587 -14.372 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.343 -15.967 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.764 -14.296 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.912 -14.693 -0.958 1.00 0.00 H new ATOM 188 N SER A 16 -17.625 -11.034 -0.943 1.00 0.00 N ATOM 189 CA SER A 16 -17.253 -9.693 -0.507 1.00 0.00 C ATOM 190 C SER A 16 -15.875 -9.311 -1.039 1.00 0.00 C ATOM 191 O SER A 16 -15.077 -10.161 -1.437 1.00 0.00 O ATOM 192 CB SER A 16 -17.265 -9.608 1.020 1.00 0.00 C ATOM 193 OG SER A 16 -18.541 -9.224 1.500 1.00 0.00 O ATOM 0 H SER A 16 -16.847 -11.692 -0.992 1.00 0.00 H new ATOM 0 HA SER A 16 -17.985 -8.992 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.990 -10.574 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.516 -8.889 1.353 1.00 0.00 H new ATOM 0 HG SER A 16 -19.230 -9.512 0.865 1.00 0.00 H new ATOM 199 N PRO A 17 -15.585 -8.002 -1.044 1.00 0.00 N ATOM 200 CA PRO A 17 -14.303 -7.476 -1.523 1.00 0.00 C ATOM 201 C PRO A 17 -13.148 -7.827 -0.592 1.00 0.00 C ATOM 202 O PRO A 17 -13.343 -8.319 0.520 1.00 0.00 O ATOM 203 CB PRO A 17 -14.527 -5.963 -1.550 1.00 0.00 C ATOM 204 CG PRO A 17 -15.598 -5.720 -0.543 1.00 0.00 C ATOM 205 CD PRO A 17 -16.487 -6.933 -0.584 1.00 0.00 C ATOM 0 HA PRO A 17 -14.026 -7.897 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.615 -5.423 -1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.831 -5.626 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.174 -5.580 0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.159 -4.816 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.907 -7.156 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.326 -6.794 -1.266 1.00 0.00 H new ATOM 213 N PRO A 18 -11.915 -7.570 -1.052 1.00 0.00 N ATOM 214 CA PRO A 18 -10.705 -7.850 -0.275 1.00 0.00 C ATOM 215 C PRO A 18 -10.557 -6.919 0.924 1.00 0.00 C ATOM 216 O PRO A 18 -11.092 -5.811 0.929 1.00 0.00 O ATOM 217 CB PRO A 18 -9.574 -7.612 -1.280 1.00 0.00 C ATOM 218 CG PRO A 18 -10.144 -6.657 -2.271 1.00 0.00 C ATOM 219 CD PRO A 18 -11.608 -6.985 -2.368 1.00 0.00 C ATOM 0 HA PRO A 18 -10.715 -8.855 0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.692 -7.197 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.267 -8.542 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.996 -5.626 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.656 -6.762 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.207 -6.095 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.810 -7.687 -3.177 1.00 0.00 H new ATOM 227 N GLU A 19 -9.828 -7.376 1.937 1.00 0.00 N ATOM 228 CA GLU A 19 -9.611 -6.583 3.141 1.00 0.00 C ATOM 229 C GLU A 19 -8.262 -5.870 3.087 1.00 0.00 C ATOM 230 O GLU A 19 -7.441 -6.140 2.212 1.00 0.00 O ATOM 231 CB GLU A 19 -9.682 -7.471 4.384 1.00 0.00 C ATOM 232 CG GLU A 19 -8.370 -8.160 4.716 1.00 0.00 C ATOM 233 CD GLU A 19 -8.396 -8.845 6.069 1.00 0.00 C ATOM 234 OE1 GLU A 19 -8.618 -8.150 7.082 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.195 -10.077 6.114 1.00 0.00 O ATOM 0 H GLU A 19 -9.378 -8.291 1.948 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.398 -5.831 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.990 -6.865 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.453 -8.228 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.145 -8.896 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.564 -7.426 4.700 1.00 0.00 H new ATOM 242 N ALA A 20 -8.042 -4.960 4.030 1.00 0.00 N ATOM 243 CA ALA A 20 -6.794 -4.210 4.092 1.00 0.00 C ATOM 244 C ALA A 20 -5.618 -5.129 4.406 1.00 0.00 C ATOM 245 O ALA A 20 -5.591 -5.818 5.426 1.00 0.00 O ATOM 246 CB ALA A 20 -6.894 -3.104 5.132 1.00 0.00 C ATOM 0 H ALA A 20 -8.712 -4.724 4.762 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.620 -3.760 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.955 -2.552 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.704 -2.425 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.095 -3.541 6.110 1.00 0.00 H new ATOM 252 N PRO A 21 -4.621 -5.142 3.509 1.00 0.00 N ATOM 253 CA PRO A 21 -3.423 -5.972 3.668 1.00 0.00 C ATOM 254 C PRO A 21 -2.527 -5.486 4.802 1.00 0.00 C ATOM 255 O PRO A 21 -2.640 -4.344 5.249 1.00 0.00 O ATOM 256 CB PRO A 21 -2.708 -5.825 2.322 1.00 0.00 C ATOM 257 CG PRO A 21 -3.171 -4.514 1.789 1.00 0.00 C ATOM 258 CD PRO A 21 -4.586 -4.346 2.270 1.00 0.00 C ATOM 0 HA PRO A 21 -3.672 -7.002 3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.625 -5.842 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.965 -6.640 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.538 -3.702 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.125 -4.497 0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.825 -3.299 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.306 -4.711 1.537 1.00 0.00 H new ATOM 266 N ASP A 22 -1.639 -6.358 5.264 1.00 0.00 N ATOM 267 CA ASP A 22 -0.722 -6.017 6.346 1.00 0.00 C ATOM 268 C ASP A 22 -0.065 -4.664 6.094 1.00 0.00 C ATOM 269 O ASP A 22 -0.253 -4.058 5.040 1.00 0.00 O ATOM 270 CB ASP A 22 0.349 -7.099 6.496 1.00 0.00 C ATOM 271 CG ASP A 22 0.895 -7.182 7.908 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.087 -7.126 8.859 1.00 0.00 O ATOM 273 OD2 ASP A 22 2.128 -7.302 8.062 1.00 0.00 O ATOM 0 H ASP A 22 -1.534 -7.307 4.906 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.296 -5.955 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.072 -8.064 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.167 -6.895 5.805 1.00 0.00 H new ATOM 278 N ARG A 23 0.706 -4.196 7.070 1.00 0.00 N ATOM 279 CA ARG A 23 1.390 -2.913 6.957 1.00 0.00 C ATOM 280 C ARG A 23 2.665 -3.049 6.129 1.00 0.00 C ATOM 281 O ARG A 23 3.556 -3.838 6.442 1.00 0.00 O ATOM 282 CB ARG A 23 1.724 -2.364 8.344 1.00 0.00 C ATOM 283 CG ARG A 23 2.329 -0.970 8.318 1.00 0.00 C ATOM 284 CD ARG A 23 2.166 -0.266 9.656 1.00 0.00 C ATOM 285 NE ARG A 23 3.228 -0.619 10.594 1.00 0.00 N ATOM 286 CZ ARG A 23 3.139 -0.442 11.907 1.00 0.00 C ATOM 287 NH1 ARG A 23 2.040 0.081 12.435 1.00 0.00 N ATOM 288 NH2 ARG A 23 4.148 -0.789 12.695 1.00 0.00 N ATOM 0 H ARG A 23 0.873 -4.686 7.949 1.00 0.00 H new ATOM 0 HA ARG A 23 0.722 -2.216 6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.816 -2.345 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.419 -3.044 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.388 -1.036 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.853 -0.380 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.164 0.813 9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.200 -0.527 10.088 1.00 0.00 H new ATOM 0 HE ARG A 23 4.086 -1.024 10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.262 0.348 11.832 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.973 0.216 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.994 -1.192 12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.078 -0.652 13.703 1.00 0.00 H new ATOM 302 N PRO A 24 2.756 -2.260 5.048 1.00 0.00 N ATOM 303 CA PRO A 24 3.918 -2.273 4.154 1.00 0.00 C ATOM 304 C PRO A 24 5.161 -1.682 4.811 1.00 0.00 C ATOM 305 O PRO A 24 5.074 -0.734 5.592 1.00 0.00 O ATOM 306 CB PRO A 24 3.470 -1.404 2.977 1.00 0.00 C ATOM 307 CG PRO A 24 2.433 -0.500 3.548 1.00 0.00 C ATOM 308 CD PRO A 24 1.732 -1.295 4.615 1.00 0.00 C ATOM 0 HA PRO A 24 4.202 -3.286 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.304 -0.838 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.064 -2.011 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.886 0.399 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.732 -0.176 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.404 -0.661 5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.846 -1.797 4.226 1.00 0.00 H new ATOM 316 N THR A 25 6.321 -2.249 4.489 1.00 0.00 N ATOM 317 CA THR A 25 7.582 -1.778 5.049 1.00 0.00 C ATOM 318 C THR A 25 8.257 -0.779 4.116 1.00 0.00 C ATOM 319 O THR A 25 7.862 -0.629 2.959 1.00 0.00 O ATOM 320 CB THR A 25 8.548 -2.947 5.317 1.00 0.00 C ATOM 321 OG1 THR A 25 9.615 -2.516 6.167 1.00 0.00 O ATOM 322 CG2 THR A 25 9.118 -3.488 4.013 1.00 0.00 C ATOM 0 H THR A 25 6.412 -3.034 3.844 1.00 0.00 H new ATOM 0 HA THR A 25 7.346 -1.288 5.993 1.00 0.00 H new ATOM 0 HB THR A 25 7.991 -3.744 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.224 -3.266 6.334 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.797 -4.313 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.305 -3.843 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.660 -2.696 3.497 1.00 0.00 H new ATOM 330 N ILE A 26 9.278 -0.098 4.626 1.00 0.00 N ATOM 331 CA ILE A 26 10.010 0.886 3.838 1.00 0.00 C ATOM 332 C ILE A 26 11.505 0.589 3.840 1.00 0.00 C ATOM 333 O ILE A 26 12.132 0.512 4.896 1.00 0.00 O ATOM 334 CB ILE A 26 9.780 2.314 4.368 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.319 2.498 4.786 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.167 3.339 3.311 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.329 2.048 3.735 1.00 0.00 C ATOM 0 H ILE A 26 9.617 -0.210 5.582 1.00 0.00 H new ATOM 0 HA ILE A 26 9.631 0.820 2.818 1.00 0.00 H new ATOM 0 HB ILE A 26 10.411 2.467 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.139 1.940 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.144 3.550 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.999 4.343 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.220 3.220 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.559 3.189 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.314 2.208 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.481 2.623 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.477 0.989 3.526 1.00 0.00 H new ATOM 349 N SER A 27 12.072 0.426 2.648 1.00 0.00 N ATOM 350 CA SER A 27 13.494 0.136 2.511 1.00 0.00 C ATOM 351 C SER A 27 14.155 1.109 1.539 1.00 0.00 C ATOM 352 O SER A 27 13.482 1.780 0.757 1.00 0.00 O ATOM 353 CB SER A 27 13.699 -1.302 2.030 1.00 0.00 C ATOM 354 OG SER A 27 13.804 -2.196 3.124 1.00 0.00 O ATOM 0 H SER A 27 11.568 0.490 1.764 1.00 0.00 H new ATOM 0 HA SER A 27 13.960 0.254 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.865 -1.598 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.601 -1.360 1.421 1.00 0.00 H new ATOM 0 HG SER A 27 13.933 -3.108 2.790 1.00 0.00 H new ATOM 360 N THR A 28 15.481 1.180 1.595 1.00 0.00 N ATOM 361 CA THR A 28 16.237 2.071 0.723 1.00 0.00 C ATOM 362 C THR A 28 16.479 1.430 -0.639 1.00 0.00 C ATOM 363 O THR A 28 17.396 0.626 -0.803 1.00 0.00 O ATOM 364 CB THR A 28 17.592 2.453 1.346 1.00 0.00 C ATOM 365 OG1 THR A 28 17.396 2.956 2.673 1.00 0.00 O ATOM 366 CG2 THR A 28 18.301 3.500 0.501 1.00 0.00 C ATOM 0 H THR A 28 16.054 0.631 2.235 1.00 0.00 H new ATOM 0 HA THR A 28 15.638 2.973 0.597 1.00 0.00 H new ATOM 0 HB THR A 28 18.214 1.559 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.731 3.676 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.256 3.754 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.475 3.104 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.681 4.394 0.434 1.00 0.00 H new ATOM 374 N ALA A 29 15.653 1.793 -1.614 1.00 0.00 N ATOM 375 CA ALA A 29 15.779 1.256 -2.964 1.00 0.00 C ATOM 376 C ALA A 29 16.529 2.225 -3.872 1.00 0.00 C ATOM 377 O ALA A 29 17.314 1.811 -4.725 1.00 0.00 O ATOM 378 CB ALA A 29 14.406 0.945 -3.539 1.00 0.00 C ATOM 0 H ALA A 29 14.888 2.457 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 29 16.354 0.332 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.516 0.545 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.906 0.209 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.811 1.858 -3.574 1.00 0.00 H new ATOM 384 N SER A 30 16.279 3.517 -3.686 1.00 0.00 N ATOM 385 CA SER A 30 16.926 4.545 -4.492 1.00 0.00 C ATOM 386 C SER A 30 16.817 5.911 -3.821 1.00 0.00 C ATOM 387 O SER A 30 16.250 6.038 -2.737 1.00 0.00 O ATOM 388 CB SER A 30 16.300 4.598 -5.887 1.00 0.00 C ATOM 389 OG SER A 30 16.169 3.299 -6.438 1.00 0.00 O ATOM 0 H SER A 30 15.633 3.877 -2.984 1.00 0.00 H new ATOM 0 HA SER A 30 17.981 4.288 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.321 5.073 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.916 5.214 -6.542 1.00 0.00 H new ATOM 0 HG SER A 30 15.312 2.912 -6.163 1.00 0.00 H new ATOM 395 N GLU A 31 17.365 6.931 -4.475 1.00 0.00 N ATOM 396 CA GLU A 31 17.331 8.287 -3.941 1.00 0.00 C ATOM 397 C GLU A 31 15.974 8.937 -4.196 1.00 0.00 C ATOM 398 O GLU A 31 15.590 9.888 -3.514 1.00 0.00 O ATOM 399 CB GLU A 31 18.440 9.134 -4.569 1.00 0.00 C ATOM 400 CG GLU A 31 18.273 9.344 -6.064 1.00 0.00 C ATOM 401 CD GLU A 31 19.600 9.504 -6.782 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.618 8.995 -6.269 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.618 10.138 -7.857 1.00 0.00 O ATOM 0 H GLU A 31 17.837 6.844 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 31 17.492 8.231 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.468 10.105 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.401 8.655 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.734 8.497 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.661 10.230 -6.237 1.00 0.00 H new ATOM 410 N THR A 32 15.251 8.418 -5.183 1.00 0.00 N ATOM 411 CA THR A 32 13.938 8.946 -5.529 1.00 0.00 C ATOM 412 C THR A 32 12.859 7.879 -5.388 1.00 0.00 C ATOM 413 O THR A 32 11.692 8.118 -5.697 1.00 0.00 O ATOM 414 CB THR A 32 13.915 9.496 -6.968 1.00 0.00 C ATOM 415 OG1 THR A 32 14.537 8.562 -7.858 1.00 0.00 O ATOM 416 CG2 THR A 32 14.632 10.835 -7.049 1.00 0.00 C ATOM 0 H THR A 32 15.553 7.631 -5.757 1.00 0.00 H new ATOM 0 HA THR A 32 13.732 9.759 -4.833 1.00 0.00 H new ATOM 0 HB THR A 32 12.875 9.641 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.517 8.917 -8.771 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.602 11.202 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.139 11.552 -6.392 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.669 10.712 -6.738 1.00 0.00 H new ATOM 424 N SER A 33 13.257 6.701 -4.919 1.00 0.00 N ATOM 425 CA SER A 33 12.324 5.595 -4.739 1.00 0.00 C ATOM 426 C SER A 33 12.704 4.756 -3.521 1.00 0.00 C ATOM 427 O SER A 33 13.808 4.875 -2.990 1.00 0.00 O ATOM 428 CB SER A 33 12.297 4.715 -5.990 1.00 0.00 C ATOM 429 OG SER A 33 13.369 3.787 -5.985 1.00 0.00 O ATOM 0 H SER A 33 14.219 6.488 -4.657 1.00 0.00 H new ATOM 0 HA SER A 33 11.331 6.013 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.349 4.180 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.358 5.341 -6.880 1.00 0.00 H new ATOM 0 HG SER A 33 13.819 3.802 -6.856 1.00 0.00 H new ATOM 435 N VAL A 34 11.779 3.908 -3.083 1.00 0.00 N ATOM 436 CA VAL A 34 12.014 3.048 -1.930 1.00 0.00 C ATOM 437 C VAL A 34 11.349 1.688 -2.113 1.00 0.00 C ATOM 438 O VAL A 34 10.320 1.574 -2.778 1.00 0.00 O ATOM 439 CB VAL A 34 11.490 3.694 -0.633 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.207 5.007 -0.362 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.986 3.905 -0.715 1.00 0.00 C ATOM 0 H VAL A 34 10.859 3.798 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 34 13.093 2.913 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 34 11.695 3.019 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.823 5.448 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.276 4.823 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.036 5.693 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.632 4.362 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.756 4.560 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.491 2.944 -0.858 1.00 0.00 H new ATOM 451 N TYR A 35 11.945 0.661 -1.517 1.00 0.00 N ATOM 452 CA TYR A 35 11.411 -0.692 -1.617 1.00 0.00 C ATOM 453 C TYR A 35 10.328 -0.929 -0.569 1.00 0.00 C ATOM 454 O TYR A 35 10.589 -0.874 0.633 1.00 0.00 O ATOM 455 CB TYR A 35 12.534 -1.718 -1.447 1.00 0.00 C ATOM 456 CG TYR A 35 13.350 -1.936 -2.702 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.732 -2.182 -3.922 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.738 -1.896 -2.667 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.473 -2.383 -5.070 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.488 -2.093 -3.810 1.00 0.00 C ATOM 461 CZ TYR A 35 14.851 -2.337 -5.009 1.00 0.00 C ATOM 462 OH TYR A 35 15.593 -2.535 -6.150 1.00 0.00 O ATOM 0 H TYR A 35 12.796 0.739 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 35 10.966 -0.809 -2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.196 -1.390 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.102 -2.669 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.654 -2.217 -3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.240 -1.708 -1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.977 -2.575 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.566 -2.056 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 35 16.547 -2.469 -5.935 1.00 0.00 H new ATOM 472 N VAL A 36 9.112 -1.194 -1.035 1.00 0.00 N ATOM 473 CA VAL A 36 7.988 -1.441 -0.139 1.00 0.00 C ATOM 474 C VAL A 36 7.517 -2.887 -0.235 1.00 0.00 C ATOM 475 O VAL A 36 7.308 -3.414 -1.329 1.00 0.00 O ATOM 476 CB VAL A 36 6.805 -0.506 -0.452 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.618 -0.827 0.443 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.221 0.949 -0.297 1.00 0.00 C ATOM 0 H VAL A 36 8.880 -1.243 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 36 8.340 -1.243 0.873 1.00 0.00 H new ATOM 0 HB VAL A 36 6.503 -0.666 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.792 -0.156 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.306 -1.858 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.904 -0.697 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.373 1.596 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.551 1.126 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.038 1.169 -0.985 1.00 0.00 H new ATOM 488 N THR A 37 7.351 -3.528 0.918 1.00 0.00 N ATOM 489 CA THR A 37 6.905 -4.914 0.966 1.00 0.00 C ATOM 490 C THR A 37 5.725 -5.081 1.917 1.00 0.00 C ATOM 491 O THR A 37 5.805 -4.715 3.089 1.00 0.00 O ATOM 492 CB THR A 37 8.042 -5.856 1.407 1.00 0.00 C ATOM 493 OG1 THR A 37 9.120 -5.797 0.467 1.00 0.00 O ATOM 494 CG2 THR A 37 7.543 -7.289 1.525 1.00 0.00 C ATOM 0 H THR A 37 7.519 -3.108 1.832 1.00 0.00 H new ATOM 0 HA THR A 37 6.594 -5.180 -0.044 1.00 0.00 H new ATOM 0 HB THR A 37 8.395 -5.529 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.839 -6.398 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.363 -7.935 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.743 -7.336 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.165 -7.624 0.559 1.00 0.00 H new ATOM 502 N TRP A 38 4.632 -5.635 1.403 1.00 0.00 N ATOM 503 CA TRP A 38 3.435 -5.850 2.208 1.00 0.00 C ATOM 504 C TRP A 38 3.011 -7.314 2.173 1.00 0.00 C ATOM 505 O TRP A 38 3.547 -8.106 1.396 1.00 0.00 O ATOM 506 CB TRP A 38 2.294 -4.963 1.709 1.00 0.00 C ATOM 507 CG TRP A 38 1.807 -5.335 0.340 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.714 -6.094 0.038 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.401 -4.966 -0.909 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.592 -6.220 -1.325 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.613 -5.535 -1.928 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.520 -4.208 -1.266 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.911 -5.370 -3.278 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.814 -4.044 -2.607 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.012 -4.623 -3.600 1.00 0.00 C ATOM 0 H TRP A 38 4.550 -5.943 0.434 1.00 0.00 H new ATOM 0 HA TRP A 38 3.668 -5.584 3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.463 -5.023 2.411 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.628 -3.925 1.699 1.00 0.00 H new ATOM 0 HD1 TRP A 38 0.044 -6.531 0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.140 -6.739 -1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.144 -3.758 -0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.295 -5.816 -4.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.676 -3.460 -2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.268 -4.477 -4.639 1.00 0.00 H new ATOM 526 N ILE A 39 2.048 -7.667 3.017 1.00 0.00 N ATOM 527 CA ILE A 39 1.552 -9.037 3.080 1.00 0.00 C ATOM 528 C ILE A 39 0.028 -9.068 3.128 1.00 0.00 C ATOM 529 O ILE A 39 -0.594 -8.686 4.120 1.00 0.00 O ATOM 530 CB ILE A 39 2.109 -9.781 4.308 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.633 -9.657 4.359 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.691 -11.243 4.274 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.345 -10.540 3.357 1.00 0.00 C ATOM 0 H ILE A 39 1.595 -7.024 3.667 1.00 0.00 H new ATOM 0 HA ILE A 39 1.895 -9.539 2.175 1.00 0.00 H new ATOM 0 HB ILE A 39 1.697 -9.326 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.911 -8.619 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.977 -9.909 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.092 -11.756 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.603 -11.311 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.078 -11.711 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.422 -10.400 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.096 -11.584 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.030 -10.273 2.348 1.00 0.00 H new ATOM 545 N PRO A 40 -0.590 -9.535 2.033 1.00 0.00 N ATOM 546 CA PRO A 40 -2.048 -9.629 1.926 1.00 0.00 C ATOM 547 C PRO A 40 -2.627 -10.711 2.833 1.00 0.00 C ATOM 548 O PRO A 40 -2.008 -11.755 3.042 1.00 0.00 O ATOM 549 CB PRO A 40 -2.274 -9.988 0.456 1.00 0.00 C ATOM 550 CG PRO A 40 -1.015 -10.663 0.032 1.00 0.00 C ATOM 551 CD PRO A 40 0.090 -10.006 0.814 1.00 0.00 C ATOM 0 HA PRO A 40 -2.539 -8.706 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.135 -10.646 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.467 -9.098 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.057 -11.732 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.854 -10.551 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.891 -10.708 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.539 -9.182 0.260 1.00 0.00 H new ATOM 559 N ARG A 41 -3.816 -10.455 3.367 1.00 0.00 N ATOM 560 CA ARG A 41 -4.477 -11.407 4.252 1.00 0.00 C ATOM 561 C ARG A 41 -5.747 -11.956 3.608 1.00 0.00 C ATOM 562 O ARG A 41 -5.812 -13.129 3.244 1.00 0.00 O ATOM 563 CB ARG A 41 -4.816 -10.743 5.588 1.00 0.00 C ATOM 564 CG ARG A 41 -3.794 -9.708 6.031 1.00 0.00 C ATOM 565 CD ARG A 41 -2.400 -10.307 6.126 1.00 0.00 C ATOM 566 NE ARG A 41 -2.120 -10.834 7.459 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.170 -11.726 7.712 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.410 -12.187 6.728 1.00 0.00 N ATOM 569 NH2 ARG A 41 -0.976 -12.158 8.951 1.00 0.00 N ATOM 0 H ARG A 41 -4.342 -9.597 3.203 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.792 -12.236 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.793 -10.266 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.898 -11.512 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.787 -8.877 5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.083 -9.301 7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.298 -11.106 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.661 -9.547 5.874 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.686 -10.498 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.555 -11.856 5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.319 -12.872 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.557 -11.805 9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.246 -12.843 9.144 1.00 0.00 H new ATOM 583 N GLY A 42 -6.754 -11.098 3.471 1.00 0.00 N ATOM 584 CA GLY A 42 -8.008 -11.516 2.872 1.00 0.00 C ATOM 585 C GLY A 42 -8.196 -10.961 1.474 1.00 0.00 C ATOM 586 O GLY A 42 -7.798 -9.832 1.188 1.00 0.00 O ATOM 0 H GLY A 42 -6.723 -10.121 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.044 -12.605 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.835 -11.190 3.503 1.00 0.00 H new ATOM 590 N ASN A 43 -8.803 -11.756 0.599 1.00 0.00 N ATOM 591 CA ASN A 43 -9.040 -11.338 -0.777 1.00 0.00 C ATOM 592 C ASN A 43 -10.534 -11.180 -1.048 1.00 0.00 C ATOM 593 O ASN A 43 -10.953 -10.995 -2.189 1.00 0.00 O ATOM 594 CB ASN A 43 -8.439 -12.354 -1.751 1.00 0.00 C ATOM 595 CG ASN A 43 -9.057 -13.731 -1.605 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.841 -13.978 -0.688 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.704 -14.637 -2.509 1.00 0.00 N ATOM 0 H ASN A 43 -9.140 -12.693 0.819 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.557 -10.372 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.581 -12.002 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.364 -12.422 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.086 -15.582 -2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.051 -14.388 -3.252 1.00 0.00 H new ATOM 604 N GLY A 44 -11.333 -11.253 0.013 1.00 0.00 N ATOM 605 CA GLY A 44 -12.771 -11.116 -0.130 1.00 0.00 C ATOM 606 C GLY A 44 -13.427 -12.386 -0.637 1.00 0.00 C ATOM 607 O GLY A 44 -14.643 -12.435 -0.815 1.00 0.00 O ATOM 0 H GLY A 44 -11.010 -11.405 0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.205 -10.846 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.988 -10.299 -0.818 1.00 0.00 H new ATOM 611 N GLY A 45 -12.619 -13.415 -0.870 1.00 0.00 N ATOM 612 CA GLY A 45 -13.147 -14.676 -1.358 1.00 0.00 C ATOM 613 C GLY A 45 -12.693 -14.986 -2.771 1.00 0.00 C ATOM 614 O GLY A 45 -12.640 -16.148 -3.173 1.00 0.00 O ATOM 0 H GLY A 45 -11.609 -13.399 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.831 -15.480 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.236 -14.647 -1.328 1.00 0.00 H new ATOM 618 N PHE A 46 -12.368 -13.943 -3.528 1.00 0.00 N ATOM 619 CA PHE A 46 -11.920 -14.109 -4.906 1.00 0.00 C ATOM 620 C PHE A 46 -10.426 -13.825 -5.030 1.00 0.00 C ATOM 621 O PHE A 46 -9.813 -13.201 -4.164 1.00 0.00 O ATOM 622 CB PHE A 46 -12.706 -13.182 -5.835 1.00 0.00 C ATOM 623 CG PHE A 46 -13.940 -13.815 -6.411 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.894 -15.095 -6.943 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.145 -13.132 -6.421 1.00 0.00 C ATOM 626 CE1 PHE A 46 -15.028 -15.679 -7.474 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.282 -13.712 -6.951 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.224 -14.987 -7.476 1.00 0.00 C ATOM 0 H PHE A 46 -12.406 -12.974 -3.211 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.101 -15.143 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.991 -12.285 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.057 -12.863 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.962 -15.641 -6.942 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.197 -12.135 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.980 -16.676 -7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.215 -13.168 -6.954 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.112 -15.443 -7.888 1.00 0.00 H new ATOM 638 N PRO A 47 -9.825 -14.294 -6.133 1.00 0.00 N ATOM 639 CA PRO A 47 -8.396 -14.103 -6.398 1.00 0.00 C ATOM 640 C PRO A 47 -8.053 -12.651 -6.710 1.00 0.00 C ATOM 641 O PRO A 47 -8.529 -12.088 -7.697 1.00 0.00 O ATOM 642 CB PRO A 47 -8.140 -14.987 -7.622 1.00 0.00 C ATOM 643 CG PRO A 47 -9.462 -15.084 -8.301 1.00 0.00 C ATOM 644 CD PRO A 47 -10.494 -15.046 -7.209 1.00 0.00 C ATOM 0 HA PRO A 47 -7.784 -14.360 -5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.389 -14.547 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.771 -15.970 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.603 -14.259 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.538 -16.006 -8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.408 -14.551 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.773 -16.049 -6.885 1.00 0.00 H new ATOM 652 N ILE A 48 -7.223 -12.048 -5.863 1.00 0.00 N ATOM 653 CA ILE A 48 -6.816 -10.661 -6.051 1.00 0.00 C ATOM 654 C ILE A 48 -6.370 -10.409 -7.486 1.00 0.00 C ATOM 655 O ILE A 48 -5.597 -11.182 -8.051 1.00 0.00 O ATOM 656 CB ILE A 48 -5.671 -10.277 -5.094 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.178 -10.234 -3.651 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.076 -8.935 -5.493 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.081 -10.016 -2.631 1.00 0.00 C ATOM 0 H ILE A 48 -6.820 -12.498 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.686 -10.043 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.889 -11.033 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.914 -9.436 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.691 -11.169 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.268 -8.677 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.684 -8.998 -6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.848 -8.167 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.513 -9.997 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.356 -10.827 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.583 -9.067 -2.830 1.00 0.00 H new ATOM 671 N GLN A 49 -6.859 -9.319 -8.070 1.00 0.00 N ATOM 672 CA GLN A 49 -6.510 -8.964 -9.440 1.00 0.00 C ATOM 673 C GLN A 49 -5.260 -8.091 -9.473 1.00 0.00 C ATOM 674 O GLN A 49 -4.301 -8.389 -10.185 1.00 0.00 O ATOM 675 CB GLN A 49 -7.673 -8.235 -10.113 1.00 0.00 C ATOM 676 CG GLN A 49 -8.849 -9.141 -10.444 1.00 0.00 C ATOM 677 CD GLN A 49 -9.784 -8.532 -11.470 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.533 -7.443 -11.986 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.870 -9.234 -11.773 1.00 0.00 N ATOM 0 H GLN A 49 -7.498 -8.667 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.304 -9.885 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.016 -7.433 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.316 -7.767 -11.030 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.475 -10.093 -10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.406 -9.355 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.039 -10.133 -11.321 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.535 -8.875 -12.458 1.00 0.00 H new ATOM 688 N SER A 50 -5.277 -7.010 -8.698 1.00 0.00 N ATOM 689 CA SER A 50 -4.147 -6.091 -8.643 1.00 0.00 C ATOM 690 C SER A 50 -4.138 -5.321 -7.325 1.00 0.00 C ATOM 691 O SER A 50 -5.155 -5.229 -6.640 1.00 0.00 O ATOM 692 CB SER A 50 -4.199 -5.114 -9.818 1.00 0.00 C ATOM 693 OG SER A 50 -3.918 -5.770 -11.041 1.00 0.00 O ATOM 0 H SER A 50 -6.061 -6.750 -8.100 1.00 0.00 H new ATOM 0 HA SER A 50 -3.230 -6.676 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.185 -4.653 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.479 -4.311 -9.659 1.00 0.00 H new ATOM 0 HG SER A 50 -3.897 -6.739 -10.895 1.00 0.00 H new ATOM 699 N PHE A 51 -2.980 -4.769 -6.978 1.00 0.00 N ATOM 700 CA PHE A 51 -2.835 -4.007 -5.744 1.00 0.00 C ATOM 701 C PHE A 51 -2.656 -2.521 -6.039 1.00 0.00 C ATOM 702 O PHE A 51 -2.485 -2.122 -7.192 1.00 0.00 O ATOM 703 CB PHE A 51 -1.644 -4.525 -4.935 1.00 0.00 C ATOM 704 CG PHE A 51 -1.879 -5.877 -4.323 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.799 -6.038 -3.300 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.179 -6.985 -4.770 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.018 -7.280 -2.734 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.394 -8.230 -4.209 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.313 -8.378 -3.188 1.00 0.00 C ATOM 0 H PHE A 51 -2.128 -4.835 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.746 -4.136 -5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.769 -4.575 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.414 -3.811 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.352 -5.183 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.457 -6.875 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.739 -7.392 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.844 -9.087 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.480 -9.349 -2.746 1.00 0.00 H new ATOM 719 N ARG A 52 -2.694 -1.706 -4.990 1.00 0.00 N ATOM 720 CA ARG A 52 -2.537 -0.264 -5.136 1.00 0.00 C ATOM 721 C ARG A 52 -1.757 0.320 -3.962 1.00 0.00 C ATOM 722 O ARG A 52 -2.139 0.151 -2.804 1.00 0.00 O ATOM 723 CB ARG A 52 -3.905 0.411 -5.240 1.00 0.00 C ATOM 724 CG ARG A 52 -4.402 0.566 -6.669 1.00 0.00 C ATOM 725 CD ARG A 52 -5.718 1.325 -6.721 1.00 0.00 C ATOM 726 NE ARG A 52 -5.515 2.766 -6.852 1.00 0.00 N ATOM 727 CZ ARG A 52 -6.421 3.671 -6.499 1.00 0.00 C ATOM 728 NH1 ARG A 52 -7.587 3.287 -5.999 1.00 0.00 N ATOM 729 NH2 ARG A 52 -6.162 4.964 -6.648 1.00 0.00 N ATOM 0 H ARG A 52 -2.832 -2.020 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.976 -0.076 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.632 -0.171 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.851 1.395 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.653 1.093 -7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.530 -0.418 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.311 0.965 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.290 1.120 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.629 3.095 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.791 2.294 -5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.281 3.984 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.267 5.264 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.858 5.658 -6.377 1.00 0.00 H new ATOM 743 N VAL A 53 -0.661 1.006 -4.269 1.00 0.00 N ATOM 744 CA VAL A 53 0.173 1.616 -3.239 1.00 0.00 C ATOM 745 C VAL A 53 -0.042 3.124 -3.180 1.00 0.00 C ATOM 746 O VAL A 53 0.238 3.839 -4.142 1.00 0.00 O ATOM 747 CB VAL A 53 1.666 1.330 -3.485 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.505 1.832 -2.319 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.894 -0.156 -3.716 1.00 0.00 C ATOM 0 H VAL A 53 -0.329 1.154 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.122 1.173 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 53 1.977 1.865 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.557 1.621 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.365 2.907 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.195 1.328 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.955 -0.339 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.567 -0.715 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.324 -0.481 -4.587 1.00 0.00 H new ATOM 759 N GLU A 54 -0.540 3.601 -2.043 1.00 0.00 N ATOM 760 CA GLU A 54 -0.793 5.025 -1.859 1.00 0.00 C ATOM 761 C GLU A 54 0.096 5.598 -0.759 1.00 0.00 C ATOM 762 O GLU A 54 0.547 4.873 0.129 1.00 0.00 O ATOM 763 CB GLU A 54 -2.265 5.264 -1.516 1.00 0.00 C ATOM 764 CG GLU A 54 -3.222 4.853 -2.621 1.00 0.00 C ATOM 765 CD GLU A 54 -4.493 5.682 -2.631 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.411 6.891 -2.928 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.570 5.118 -2.342 1.00 0.00 O ATOM 0 H GLU A 54 -0.776 3.023 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.558 5.533 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.512 4.712 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.411 6.321 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.722 4.950 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.480 3.801 -2.500 1.00 0.00 H new ATOM 774 N TYR A 55 0.345 6.900 -0.825 1.00 0.00 N ATOM 775 CA TYR A 55 1.183 7.570 0.162 1.00 0.00 C ATOM 776 C TYR A 55 0.531 8.864 0.642 1.00 0.00 C ATOM 777 O TYR A 55 -0.467 9.316 0.081 1.00 0.00 O ATOM 778 CB TYR A 55 2.562 7.869 -0.427 1.00 0.00 C ATOM 779 CG TYR A 55 2.512 8.630 -1.732 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.451 10.018 -1.747 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.524 7.962 -2.950 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.403 10.719 -2.937 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.479 8.655 -4.144 1.00 0.00 C ATOM 784 CZ TYR A 55 2.418 10.032 -4.133 1.00 0.00 C ATOM 785 OH TYR A 55 2.372 10.726 -5.321 1.00 0.00 O ATOM 0 H TYR A 55 -0.022 7.514 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 55 1.297 6.903 1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.140 8.444 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.092 6.930 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.441 10.559 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.569 6.883 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.354 11.798 -2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.492 8.120 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 55 2.392 10.094 -6.070 1.00 0.00 H new ATOM 795 N LYS A 56 1.104 9.456 1.684 1.00 0.00 N ATOM 796 CA LYS A 56 0.583 10.699 2.241 1.00 0.00 C ATOM 797 C LYS A 56 1.719 11.615 2.683 1.00 0.00 C ATOM 798 O LYS A 56 2.643 11.187 3.375 1.00 0.00 O ATOM 799 CB LYS A 56 -0.339 10.404 3.426 1.00 0.00 C ATOM 800 CG LYS A 56 -0.770 11.646 4.185 1.00 0.00 C ATOM 801 CD LYS A 56 -2.037 11.399 4.987 1.00 0.00 C ATOM 802 CE LYS A 56 -1.734 10.738 6.322 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.975 10.418 7.079 1.00 0.00 N ATOM 0 H LYS A 56 1.930 9.095 2.161 1.00 0.00 H new ATOM 0 HA LYS A 56 0.013 11.206 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.226 9.883 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.170 9.728 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.030 11.960 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.936 12.463 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.551 12.345 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.714 10.767 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.166 9.823 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.105 11.398 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.784 10.476 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.720 11.098 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.289 9.456 6.840 1.00 0.00 H new ATOM 817 N LYS A 57 1.644 12.879 2.279 1.00 0.00 N ATOM 818 CA LYS A 57 2.664 13.859 2.635 1.00 0.00 C ATOM 819 C LYS A 57 2.445 14.381 4.051 1.00 0.00 C ATOM 820 O LYS A 57 1.346 14.811 4.402 1.00 0.00 O ATOM 821 CB LYS A 57 2.651 15.023 1.642 1.00 0.00 C ATOM 822 CG LYS A 57 3.447 14.752 0.377 1.00 0.00 C ATOM 823 CD LYS A 57 3.129 15.767 -0.709 1.00 0.00 C ATOM 824 CE LYS A 57 1.887 15.373 -1.493 1.00 0.00 C ATOM 825 NZ LYS A 57 2.120 14.165 -2.333 1.00 0.00 N ATOM 0 H LYS A 57 0.887 13.249 1.704 1.00 0.00 H new ATOM 0 HA LYS A 57 3.636 13.367 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.619 15.247 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.052 15.911 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.513 14.781 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.226 13.748 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.980 16.749 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.977 15.853 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.067 15.181 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.580 16.204 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.651 14.286 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.141 14.036 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.731 13.328 -1.853 1.00 0.00 H new ATOM 839 N LEU A 58 3.499 14.343 4.860 1.00 0.00 N ATOM 840 CA LEU A 58 3.423 14.815 6.238 1.00 0.00 C ATOM 841 C LEU A 58 3.800 16.290 6.331 1.00 0.00 C ATOM 842 O LEU A 58 4.634 16.778 5.568 1.00 0.00 O ATOM 843 CB LEU A 58 4.343 13.985 7.135 1.00 0.00 C ATOM 844 CG LEU A 58 4.196 12.466 7.024 1.00 0.00 C ATOM 845 CD1 LEU A 58 5.107 11.768 8.021 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.748 12.054 7.240 1.00 0.00 C ATOM 0 H LEU A 58 4.416 13.990 4.585 1.00 0.00 H new ATOM 0 HA LEU A 58 2.394 14.700 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.376 14.248 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.164 14.273 8.171 1.00 0.00 H new ATOM 0 HG LEU A 58 4.492 12.163 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.989 10.688 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.143 12.039 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.843 12.076 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.662 10.971 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.424 12.369 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.119 12.526 6.486 1.00 0.00 H new ATOM 937 N TRP A 64 -4.115 11.540 0.583 1.00 0.00 N ATOM 938 CA TRP A 64 -3.364 10.396 0.080 1.00 0.00 C ATOM 939 C TRP A 64 -3.293 10.420 -1.443 1.00 0.00 C ATOM 940 O TRP A 64 -4.229 10.861 -2.110 1.00 0.00 O ATOM 941 CB TRP A 64 -4.006 9.091 0.553 1.00 0.00 C ATOM 942 CG TRP A 64 -3.746 8.791 1.998 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.466 9.236 3.070 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.692 7.980 2.530 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.922 8.752 4.235 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.835 7.978 3.931 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.644 7.254 1.957 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -1.966 7.279 4.765 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.783 6.561 2.787 1.00 0.00 C ATOM 950 CH2 TRP A 64 -0.948 6.577 4.178 1.00 0.00 C ATOM 0 HA TRP A 64 -2.349 10.456 0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.082 9.143 0.388 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.630 8.268 -0.055 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.335 9.874 3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.272 8.939 5.175 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.509 7.235 0.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.091 7.290 5.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.031 5.997 2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.259 6.025 4.799 1.00 0.00 H new ATOM 961 N ILE A 65 -2.178 9.941 -1.986 1.00 0.00 N ATOM 962 CA ILE A 65 -1.988 9.907 -3.431 1.00 0.00 C ATOM 963 C ILE A 65 -1.636 8.500 -3.905 1.00 0.00 C ATOM 964 O ILE A 65 -1.106 7.691 -3.143 1.00 0.00 O ATOM 965 CB ILE A 65 -0.879 10.879 -3.875 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.808 12.075 -2.924 1.00 0.00 C ATOM 967 CG2 ILE A 65 -1.125 11.345 -5.303 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.989 13.012 -3.042 1.00 0.00 C ATOM 0 H ILE A 65 -1.394 9.572 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.931 10.215 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 65 0.077 10.356 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.745 11.710 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.108 12.632 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.333 12.031 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.131 10.484 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.087 11.854 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.871 13.836 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.041 13.406 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.907 12.470 -2.816 1.00 0.00 H new ATOM 980 N LEU A 66 -1.933 8.217 -5.169 1.00 0.00 N ATOM 981 CA LEU A 66 -1.646 6.909 -5.746 1.00 0.00 C ATOM 982 C LEU A 66 -0.237 6.868 -6.329 1.00 0.00 C ATOM 983 O LEU A 66 0.105 7.659 -7.207 1.00 0.00 O ATOM 984 CB LEU A 66 -2.669 6.574 -6.834 1.00 0.00 C ATOM 985 CG LEU A 66 -2.522 5.204 -7.495 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.742 4.094 -6.479 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.496 5.065 -8.656 1.00 0.00 C ATOM 0 H LEU A 66 -2.372 8.875 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.713 6.166 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.666 6.640 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.608 7.338 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.507 5.117 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.633 3.126 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.006 4.181 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.745 4.178 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.377 4.083 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.517 5.173 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.292 5.839 -9.396 1.00 0.00 H new ATOM 999 N ALA A 67 0.575 5.939 -5.835 1.00 0.00 N ATOM 1000 CA ALA A 67 1.945 5.792 -6.309 1.00 0.00 C ATOM 1001 C ALA A 67 2.003 4.920 -7.559 1.00 0.00 C ATOM 1002 O ALA A 67 2.323 5.397 -8.648 1.00 0.00 O ATOM 1003 CB ALA A 67 2.823 5.206 -5.213 1.00 0.00 C ATOM 0 H ALA A 67 0.307 5.277 -5.107 1.00 0.00 H new ATOM 0 HA ALA A 67 2.321 6.781 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.844 5.102 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.815 5.869 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.440 4.227 -4.924 1.00 0.00 H new ATOM 1009 N THR A 68 1.692 3.638 -7.395 1.00 0.00 N ATOM 1010 CA THR A 68 1.711 2.698 -8.510 1.00 0.00 C ATOM 1011 C THR A 68 0.406 1.914 -8.590 1.00 0.00 C ATOM 1012 O THR A 68 -0.500 2.114 -7.780 1.00 0.00 O ATOM 1013 CB THR A 68 2.886 1.708 -8.390 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.023 0.964 -9.606 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.671 0.753 -7.226 1.00 0.00 C ATOM 0 H THR A 68 1.424 3.227 -6.501 1.00 0.00 H new ATOM 0 HA THR A 68 1.834 3.287 -9.419 1.00 0.00 H new ATOM 0 HB THR A 68 3.797 2.278 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.772 0.338 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.513 0.064 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.594 1.321 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.752 0.189 -7.383 1.00 0.00 H new ATOM 1023 N SER A 69 0.317 1.020 -9.569 1.00 0.00 N ATOM 1024 CA SER A 69 -0.879 0.208 -9.757 1.00 0.00 C ATOM 1025 C SER A 69 -0.634 -0.890 -10.787 1.00 0.00 C ATOM 1026 O SER A 69 0.392 -0.902 -11.466 1.00 0.00 O ATOM 1027 CB SER A 69 -2.053 1.084 -10.197 1.00 0.00 C ATOM 1028 OG SER A 69 -1.891 1.519 -11.536 1.00 0.00 O ATOM 0 H SER A 69 1.059 0.840 -10.245 1.00 0.00 H new ATOM 0 HA SER A 69 -1.123 -0.261 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.984 0.524 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.133 1.948 -9.538 1.00 0.00 H new ATOM 0 HG SER A 69 -2.655 2.076 -11.794 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.585 -1.813 -10.897 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.474 -2.914 -11.844 1.00 0.00 C ATOM 1036 C ALA A 70 -0.425 -3.925 -11.392 1.00 0.00 C ATOM 1037 O ALA A 70 0.247 -4.547 -12.215 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.137 -2.386 -13.231 1.00 0.00 C ATOM 0 H ALA A 70 -2.440 -1.819 -10.341 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.437 -3.423 -11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.057 -3.220 -13.928 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.924 -1.709 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.188 -1.850 -13.196 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.291 -4.084 -10.079 1.00 0.00 N ATOM 1045 CA ILE A 71 0.676 -5.019 -9.519 1.00 0.00 C ATOM 1046 C ILE A 71 0.090 -6.423 -9.423 1.00 0.00 C ATOM 1047 O ILE A 71 -1.062 -6.617 -9.034 1.00 0.00 O ATOM 1048 CB ILE A 71 1.146 -4.574 -8.122 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.740 -3.166 -8.183 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.162 -5.559 -7.565 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.217 -2.651 -6.843 1.00 0.00 C ATOM 0 H ILE A 71 -0.840 -3.577 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 71 1.532 -5.030 -10.194 1.00 0.00 H new ATOM 0 HB ILE A 71 0.284 -4.556 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.576 -3.164 -8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.990 -2.481 -8.580 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.484 -5.230 -6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.707 -6.547 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.024 -5.608 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.626 -1.648 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.380 -2.621 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.990 -3.313 -6.453 1.00 0.00 H new ATOM 1063 N PRO A 72 0.901 -7.429 -9.783 1.00 0.00 N ATOM 1064 CA PRO A 72 0.486 -8.834 -9.744 1.00 0.00 C ATOM 1065 C PRO A 72 0.318 -9.350 -8.319 1.00 0.00 C ATOM 1066 O PRO A 72 0.887 -8.812 -7.368 1.00 0.00 O ATOM 1067 CB PRO A 72 1.634 -9.563 -10.445 1.00 0.00 C ATOM 1068 CG PRO A 72 2.817 -8.679 -10.254 1.00 0.00 C ATOM 1069 CD PRO A 72 2.287 -7.272 -10.256 1.00 0.00 C ATOM 0 HA PRO A 72 -0.484 -8.985 -10.217 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.802 -10.548 -10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.420 -9.714 -11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.325 -8.904 -9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.545 -8.823 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.865 -6.624 -9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.324 -6.830 -11.252 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.481 -10.416 -8.164 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.740 -11.029 -6.857 1.00 0.00 C ATOM 1079 C PRO A 73 0.486 -11.741 -6.297 1.00 0.00 C ATOM 1080 O PRO A 73 0.617 -11.912 -5.085 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.855 -12.034 -7.151 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.699 -12.362 -8.597 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.191 -11.108 -9.253 1.00 0.00 C ATOM 0 HA PRO A 73 -1.005 -10.287 -6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.759 -12.925 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.837 -11.607 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.000 -13.186 -8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.649 -12.672 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.526 -11.332 -10.087 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.007 -10.503 -9.649 1.00 0.00 H new ATOM 1091 N SER A 74 1.382 -12.155 -7.187 1.00 0.00 N ATOM 1092 CA SER A 74 2.597 -12.853 -6.782 1.00 0.00 C ATOM 1093 C SER A 74 3.648 -11.869 -6.279 1.00 0.00 C ATOM 1094 O SER A 74 4.618 -12.258 -5.630 1.00 0.00 O ATOM 1095 CB SER A 74 3.159 -13.664 -7.951 1.00 0.00 C ATOM 1096 OG SER A 74 3.907 -14.775 -7.489 1.00 0.00 O ATOM 0 H SER A 74 1.290 -12.019 -8.194 1.00 0.00 H new ATOM 0 HA SER A 74 2.341 -13.532 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.342 -14.010 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.792 -13.027 -8.568 1.00 0.00 H new ATOM 0 HG SER A 74 4.254 -15.277 -8.256 1.00 0.00 H new ATOM 1102 N ARG A 75 3.446 -10.591 -6.584 1.00 0.00 N ATOM 1103 CA ARG A 75 4.375 -9.549 -6.165 1.00 0.00 C ATOM 1104 C ARG A 75 3.879 -8.856 -4.899 1.00 0.00 C ATOM 1105 O ARG A 75 2.946 -8.053 -4.943 1.00 0.00 O ATOM 1106 CB ARG A 75 4.561 -8.522 -7.282 1.00 0.00 C ATOM 1107 CG ARG A 75 5.528 -7.404 -6.928 1.00 0.00 C ATOM 1108 CD ARG A 75 6.227 -6.859 -8.163 1.00 0.00 C ATOM 1109 NE ARG A 75 7.545 -6.314 -7.850 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.422 -5.934 -8.774 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.122 -6.041 -10.061 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.601 -5.448 -8.410 1.00 0.00 N ATOM 0 H ARG A 75 2.647 -10.253 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 75 5.335 -10.018 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.920 -9.032 -8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.592 -8.088 -7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.988 -6.599 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.271 -7.774 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.330 -7.654 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.611 -6.081 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 75 7.807 -6.220 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.217 -6.416 -10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.797 -5.749 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.835 -5.366 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.274 -5.157 -9.119 1.00 0.00 H new ATOM 1126 N LEU A 76 4.510 -9.172 -3.772 1.00 0.00 N ATOM 1127 CA LEU A 76 4.132 -8.579 -2.494 1.00 0.00 C ATOM 1128 C LEU A 76 5.089 -7.455 -2.112 1.00 0.00 C ATOM 1129 O LEU A 76 5.097 -6.994 -0.970 1.00 0.00 O ATOM 1130 CB LEU A 76 4.120 -9.648 -1.398 1.00 0.00 C ATOM 1131 CG LEU A 76 3.318 -10.912 -1.703 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.308 -11.842 -0.500 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.897 -10.556 -2.115 1.00 0.00 C ATOM 0 H LEU A 76 5.284 -9.834 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 76 3.131 -8.160 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.150 -9.937 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.723 -9.201 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 76 3.797 -11.431 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.732 -12.737 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.331 -12.124 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.854 -11.332 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.341 -11.469 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.408 -10.014 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.923 -9.930 -3.007 1.00 0.00 H new ATOM 1145 N SER A 77 5.892 -7.014 -3.075 1.00 0.00 N ATOM 1146 CA SER A 77 6.854 -5.944 -2.840 1.00 0.00 C ATOM 1147 C SER A 77 7.203 -5.231 -4.142 1.00 0.00 C ATOM 1148 O SER A 77 7.405 -5.867 -5.177 1.00 0.00 O ATOM 1149 CB SER A 77 8.124 -6.503 -2.196 1.00 0.00 C ATOM 1150 OG SER A 77 9.093 -5.487 -2.014 1.00 0.00 O ATOM 0 H SER A 77 5.895 -7.382 -4.026 1.00 0.00 H new ATOM 0 HA SER A 77 6.398 -5.223 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.880 -6.953 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.535 -7.294 -2.823 1.00 0.00 H new ATOM 0 HG SER A 77 9.046 -5.151 -1.095 1.00 0.00 H new ATOM 1156 N VAL A 78 7.273 -3.905 -4.084 1.00 0.00 N ATOM 1157 CA VAL A 78 7.597 -3.103 -5.258 1.00 0.00 C ATOM 1158 C VAL A 78 8.315 -1.818 -4.863 1.00 0.00 C ATOM 1159 O VAL A 78 8.271 -1.400 -3.707 1.00 0.00 O ATOM 1160 CB VAL A 78 6.333 -2.746 -6.061 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.381 -3.932 -6.115 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.648 -1.528 -5.462 1.00 0.00 C ATOM 0 H VAL A 78 7.110 -3.363 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 78 8.255 -3.707 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 78 6.629 -2.502 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.494 -3.660 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.878 -4.776 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.089 -4.211 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.757 -1.290 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.364 -1.740 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.332 -0.679 -5.483 1.00 0.00 H new ATOM 1172 N GLU A 79 8.978 -1.195 -5.833 1.00 0.00 N ATOM 1173 CA GLU A 79 9.707 0.043 -5.587 1.00 0.00 C ATOM 1174 C GLU A 79 8.876 1.255 -6.001 1.00 0.00 C ATOM 1175 O GLU A 79 8.543 1.419 -7.176 1.00 0.00 O ATOM 1176 CB GLU A 79 11.035 0.039 -6.344 1.00 0.00 C ATOM 1177 CG GLU A 79 11.908 1.249 -6.052 1.00 0.00 C ATOM 1178 CD GLU A 79 13.140 1.307 -6.933 1.00 0.00 C ATOM 1179 OE1 GLU A 79 12.990 1.221 -8.170 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.255 1.438 -6.386 1.00 0.00 O ATOM 0 H GLU A 79 9.025 -1.528 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 79 9.908 0.109 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.586 -0.866 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.833 -0.003 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.322 2.157 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.215 1.227 -5.006 1.00 0.00 H new ATOM 1187 N ILE A 80 8.546 2.099 -5.030 1.00 0.00 N ATOM 1188 CA ILE A 80 7.755 3.295 -5.295 1.00 0.00 C ATOM 1189 C ILE A 80 8.643 4.456 -5.728 1.00 0.00 C ATOM 1190 O ILE A 80 9.194 5.177 -4.894 1.00 0.00 O ATOM 1191 CB ILE A 80 6.944 3.719 -4.056 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.079 2.557 -3.564 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.081 4.930 -4.376 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.983 2.168 -4.532 1.00 0.00 C ATOM 0 H ILE A 80 8.814 1.977 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 80 7.067 3.046 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 80 7.639 3.992 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.716 1.692 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.630 2.828 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.514 5.217 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.718 5.759 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.392 4.683 -5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.410 1.338 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.323 3.020 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.426 1.865 -5.481 1.00 0.00 H new ATOM 1206 N THR A 81 8.778 4.635 -7.038 1.00 0.00 N ATOM 1207 CA THR A 81 9.597 5.708 -7.583 1.00 0.00 C ATOM 1208 C THR A 81 8.784 6.986 -7.761 1.00 0.00 C ATOM 1209 O THR A 81 7.565 6.984 -7.603 1.00 0.00 O ATOM 1210 CB THR A 81 10.212 5.313 -8.939 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.199 5.296 -9.951 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.874 3.946 -8.855 1.00 0.00 C ATOM 0 H THR A 81 8.329 4.049 -7.742 1.00 0.00 H new ATOM 0 HA THR A 81 10.399 5.887 -6.866 1.00 0.00 H new ATOM 0 HB THR A 81 10.971 6.052 -9.197 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.599 5.046 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.301 3.688 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.665 3.970 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.131 3.199 -8.576 1.00 0.00 H new ATOM 1220 N GLY A 82 9.469 8.077 -8.091 1.00 0.00 N ATOM 1221 CA GLY A 82 8.792 9.347 -8.285 1.00 0.00 C ATOM 1222 C GLY A 82 8.423 10.012 -6.974 1.00 0.00 C ATOM 1223 O GLY A 82 7.311 10.521 -6.819 1.00 0.00 O ATOM 0 H GLY A 82 10.479 8.104 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.435 10.014 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.889 9.188 -8.875 1.00 0.00 H new ATOM 1227 N LEU A 83 9.353 10.008 -6.026 1.00 0.00 N ATOM 1228 CA LEU A 83 9.119 10.615 -4.720 1.00 0.00 C ATOM 1229 C LEU A 83 9.848 11.949 -4.601 1.00 0.00 C ATOM 1230 O LEU A 83 10.767 12.236 -5.369 1.00 0.00 O ATOM 1231 CB LEU A 83 9.577 9.670 -3.608 1.00 0.00 C ATOM 1232 CG LEU A 83 9.076 8.228 -3.704 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.639 7.391 -2.566 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.556 8.189 -3.697 1.00 0.00 C ATOM 0 H LEU A 83 10.277 9.591 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 83 8.049 10.796 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.667 9.655 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.255 10.083 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 83 9.425 7.805 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.272 6.368 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.728 7.391 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.321 7.813 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.218 7.155 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.185 8.631 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.174 8.753 -4.548 1.00 0.00 H new ATOM 1246 N GLU A 84 9.433 12.760 -3.634 1.00 0.00 N ATOM 1247 CA GLU A 84 10.048 14.064 -3.414 1.00 0.00 C ATOM 1248 C GLU A 84 10.919 14.050 -2.161 1.00 0.00 C ATOM 1249 O GLU A 84 10.452 13.726 -1.069 1.00 0.00 O ATOM 1250 CB GLU A 84 8.973 15.146 -3.288 1.00 0.00 C ATOM 1251 CG GLU A 84 8.224 15.412 -4.584 1.00 0.00 C ATOM 1252 CD GLU A 84 7.190 16.512 -4.444 1.00 0.00 C ATOM 1253 OE1 GLU A 84 7.476 17.510 -3.750 1.00 0.00 O ATOM 1254 OE2 GLU A 84 6.096 16.375 -5.031 1.00 0.00 O ATOM 0 H GLU A 84 8.674 12.538 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 84 10.680 14.288 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.259 14.850 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.439 16.072 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.937 15.685 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.732 14.495 -4.910 1.00 0.00 H new ATOM 1261 N LYS A 85 12.189 14.404 -2.327 1.00 0.00 N ATOM 1262 CA LYS A 85 13.127 14.434 -1.211 1.00 0.00 C ATOM 1263 C LYS A 85 12.723 15.491 -0.189 1.00 0.00 C ATOM 1264 O LYS A 85 11.973 16.415 -0.499 1.00 0.00 O ATOM 1265 CB LYS A 85 14.544 14.713 -1.716 1.00 0.00 C ATOM 1266 CG LYS A 85 15.283 13.468 -2.175 1.00 0.00 C ATOM 1267 CD LYS A 85 16.259 13.780 -3.296 1.00 0.00 C ATOM 1268 CE LYS A 85 16.433 12.591 -4.230 1.00 0.00 C ATOM 1269 NZ LYS A 85 16.756 13.020 -5.619 1.00 0.00 N ATOM 0 H LYS A 85 12.592 14.674 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 85 13.107 13.458 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.493 15.421 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.116 15.192 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.822 13.033 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.565 12.722 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.902 14.640 -3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.225 14.056 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.228 11.947 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.519 11.997 -4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.409 12.335 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.882 13.066 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.203 13.959 -5.597 1.00 0.00 H new ATOM 1283 N GLY A 86 13.227 15.349 1.034 1.00 0.00 N ATOM 1284 CA GLY A 86 12.908 16.300 2.083 1.00 0.00 C ATOM 1285 C GLY A 86 11.422 16.366 2.373 1.00 0.00 C ATOM 1286 O GLY A 86 10.959 17.268 3.072 1.00 0.00 O ATOM 0 H GLY A 86 13.850 14.593 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.441 16.025 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.263 17.289 1.793 1.00 0.00 H new ATOM 1290 N ILE A 87 10.672 15.410 1.835 1.00 0.00 N ATOM 1291 CA ILE A 87 9.230 15.365 2.041 1.00 0.00 C ATOM 1292 C ILE A 87 8.810 14.054 2.699 1.00 0.00 C ATOM 1293 O ILE A 87 8.584 13.052 2.021 1.00 0.00 O ATOM 1294 CB ILE A 87 8.467 15.527 0.713 1.00 0.00 C ATOM 1295 CG1 ILE A 87 8.643 16.947 0.169 1.00 0.00 C ATOM 1296 CG2 ILE A 87 6.993 15.207 0.906 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.082 18.016 1.080 1.00 0.00 C ATOM 0 H ILE A 87 11.039 14.657 1.253 1.00 0.00 H new ATOM 0 HA ILE A 87 8.978 16.197 2.699 1.00 0.00 H new ATOM 0 HB ILE A 87 8.878 14.826 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.704 17.137 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.156 17.018 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.468 15.326 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.886 14.179 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.567 15.886 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.242 18.997 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.014 17.851 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.586 17.972 2.046 1.00 0.00 H new ATOM 1309 N SER A 88 8.705 14.071 4.023 1.00 0.00 N ATOM 1310 CA SER A 88 8.313 12.884 4.773 1.00 0.00 C ATOM 1311 C SER A 88 6.913 12.428 4.378 1.00 0.00 C ATOM 1312 O SER A 88 5.996 13.240 4.253 1.00 0.00 O ATOM 1313 CB SER A 88 8.364 13.165 6.277 1.00 0.00 C ATOM 1314 OG SER A 88 9.322 14.165 6.576 1.00 0.00 O ATOM 0 H SER A 88 8.886 14.893 4.599 1.00 0.00 H new ATOM 0 HA SER A 88 9.016 12.086 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.381 13.483 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.611 12.249 6.813 1.00 0.00 H new ATOM 0 HG SER A 88 9.334 14.328 7.542 1.00 0.00 H new ATOM 1320 N TYR A 89 6.756 11.124 4.179 1.00 0.00 N ATOM 1321 CA TYR A 89 5.468 10.558 3.795 1.00 0.00 C ATOM 1322 C TYR A 89 5.410 9.068 4.114 1.00 0.00 C ATOM 1323 O TYR A 89 6.441 8.416 4.283 1.00 0.00 O ATOM 1324 CB TYR A 89 5.215 10.782 2.303 1.00 0.00 C ATOM 1325 CG TYR A 89 6.481 10.859 1.478 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.552 10.014 1.736 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.604 11.778 0.444 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.711 10.081 0.985 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.758 11.852 -0.311 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.808 11.001 -0.037 1.00 0.00 C ATOM 1331 OH TYR A 89 9.960 11.073 -0.786 1.00 0.00 O ATOM 0 H TYR A 89 7.505 10.439 4.277 1.00 0.00 H new ATOM 0 HA TYR A 89 4.692 11.064 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.593 9.972 1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.650 11.705 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.479 9.293 2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.784 12.446 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.535 9.417 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.838 12.572 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 89 10.287 11.997 -0.795 1.00 0.00 H new ATOM 1341 N LYS A 90 4.196 8.533 4.194 1.00 0.00 N ATOM 1342 CA LYS A 90 4.000 7.120 4.492 1.00 0.00 C ATOM 1343 C LYS A 90 3.540 6.362 3.250 1.00 0.00 C ATOM 1344 O LYS A 90 3.390 6.944 2.175 1.00 0.00 O ATOM 1345 CB LYS A 90 2.974 6.951 5.614 1.00 0.00 C ATOM 1346 CG LYS A 90 3.134 7.958 6.741 1.00 0.00 C ATOM 1347 CD LYS A 90 2.356 7.539 7.977 1.00 0.00 C ATOM 1348 CE LYS A 90 3.002 8.069 9.248 1.00 0.00 C ATOM 1349 NZ LYS A 90 2.021 8.185 10.362 1.00 0.00 N ATOM 0 H LYS A 90 3.332 9.058 4.056 1.00 0.00 H new ATOM 0 HA LYS A 90 4.955 6.707 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.972 7.043 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.058 5.944 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.190 8.060 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.789 8.937 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.333 7.908 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.300 6.451 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.814 7.406 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.444 9.045 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.500 8.549 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.259 8.838 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.617 7.249 10.568 1.00 0.00 H new ATOM 1363 N PHE A 91 3.316 5.061 3.405 1.00 0.00 N ATOM 1364 CA PHE A 91 2.872 4.224 2.297 1.00 0.00 C ATOM 1365 C PHE A 91 1.817 3.223 2.760 1.00 0.00 C ATOM 1366 O PHE A 91 1.741 2.887 3.941 1.00 0.00 O ATOM 1367 CB PHE A 91 4.061 3.481 1.684 1.00 0.00 C ATOM 1368 CG PHE A 91 5.175 4.389 1.249 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.027 4.959 2.181 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.372 4.674 -0.094 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.053 5.796 1.783 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.396 5.510 -0.497 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.238 6.071 0.443 1.00 0.00 C ATOM 0 H PHE A 91 3.435 4.564 4.288 1.00 0.00 H new ATOM 0 HA PHE A 91 2.427 4.871 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.448 2.767 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.716 2.905 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.888 4.747 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.717 4.237 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.709 6.234 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.538 5.724 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.040 6.724 0.130 1.00 0.00 H new ATOM 1383 N ARG A 92 1.004 2.753 1.819 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.048 1.792 2.130 1.00 0.00 C ATOM 1385 C ARG A 92 -0.286 0.849 0.955 1.00 0.00 C ATOM 1386 O ARG A 92 0.344 0.975 -0.094 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.345 2.522 2.484 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.970 3.259 1.311 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.440 3.558 1.558 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.629 4.491 2.666 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.699 5.267 2.798 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.671 5.221 1.896 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -4.800 6.090 3.834 1.00 0.00 N ATOM 0 H ARG A 92 1.053 3.022 0.836 1.00 0.00 H new ATOM 0 HA ARG A 92 0.274 1.201 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.063 1.800 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.144 3.234 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.432 4.191 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.867 2.659 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.882 3.975 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.968 2.629 1.772 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.900 4.550 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.598 4.589 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.492 5.818 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.055 6.127 4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.622 6.685 3.934 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.201 -0.098 1.139 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.525 -1.062 0.094 1.00 0.00 C ATOM 1409 C VAL A 93 -3.022 -1.349 0.056 1.00 0.00 C ATOM 1410 O VAL A 93 -3.672 -1.449 1.095 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.765 -2.387 0.299 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.171 -3.404 -0.756 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.737 -2.148 0.271 1.00 0.00 C ATOM 0 H VAL A 93 -1.731 -0.218 2.002 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.219 -0.618 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.028 -2.790 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.624 -4.333 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.242 -3.596 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.939 -3.013 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.259 -3.094 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.020 -1.723 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.010 -1.456 1.068 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.562 -1.481 -1.152 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.983 -1.755 -1.327 1.00 0.00 C ATOM 1425 C ARG A 94 -5.198 -2.891 -2.323 1.00 0.00 C ATOM 1426 O ARG A 94 -4.566 -2.933 -3.379 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.712 -0.498 -1.805 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.077 0.458 -0.681 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.349 1.229 -0.998 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.795 2.035 0.135 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.594 3.091 0.016 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.029 3.465 -1.179 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.956 3.775 1.094 1.00 0.00 N ATOM 0 H ARG A 94 -3.037 -1.403 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.391 -2.058 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.083 0.025 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.621 -0.793 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.210 -0.101 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.258 1.158 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.176 1.876 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.137 0.530 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.476 1.774 1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.751 2.942 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.642 4.275 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.621 3.491 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.569 4.585 1.002 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.093 -3.811 -1.980 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.393 -4.946 -2.845 1.00 0.00 C ATOM 1449 C ALA A 95 -7.629 -4.677 -3.696 1.00 0.00 C ATOM 1450 O ALA A 95 -8.672 -4.270 -3.183 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.587 -6.206 -2.013 1.00 0.00 C ATOM 0 H ALA A 95 -6.623 -3.793 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.547 -5.093 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.810 -7.046 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.676 -6.416 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.414 -6.060 -1.318 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.504 -4.904 -4.999 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.612 -4.685 -5.922 1.00 0.00 C ATOM 1459 C LEU A 96 -8.944 -5.962 -6.687 1.00 0.00 C ATOM 1460 O LEU A 96 -8.133 -6.457 -7.469 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.269 -3.564 -6.905 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.445 -2.137 -6.383 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.255 -1.731 -5.527 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.629 -1.166 -7.540 1.00 0.00 C ATOM 0 H LEU A 96 -6.647 -5.239 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.486 -4.395 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.233 -3.689 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.890 -3.684 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.340 -2.105 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.398 -0.713 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.169 -2.410 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.344 -1.779 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.753 -0.155 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.753 -1.201 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.514 -1.445 -8.112 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.142 -6.489 -6.458 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.582 -7.708 -7.127 1.00 0.00 C ATOM 1478 C ASN A 97 -11.840 -7.452 -7.953 1.00 0.00 C ATOM 1479 O ASN A 97 -12.287 -6.313 -8.083 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.848 -8.810 -6.099 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.117 -8.566 -5.305 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.713 -7.491 -5.382 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.535 -9.564 -4.537 1.00 0.00 N ATOM 0 H ASN A 97 -10.826 -6.091 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.788 -8.031 -7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.921 -9.770 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.002 -8.877 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.382 -9.458 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.009 -10.437 -4.504 1.00 0.00 H new ATOM 1490 N MET A 98 -12.404 -8.519 -8.507 1.00 0.00 N ATOM 1491 CA MET A 98 -13.611 -8.411 -9.319 1.00 0.00 C ATOM 1492 C MET A 98 -14.807 -8.006 -8.463 1.00 0.00 C ATOM 1493 O MET A 98 -15.915 -7.829 -8.971 1.00 0.00 O ATOM 1494 CB MET A 98 -13.899 -9.737 -10.024 1.00 0.00 C ATOM 1495 CG MET A 98 -14.001 -10.920 -9.074 1.00 0.00 C ATOM 1496 SD MET A 98 -14.224 -12.487 -9.938 1.00 0.00 S ATOM 1497 CE MET A 98 -16.012 -12.582 -10.011 1.00 0.00 C ATOM 0 H MET A 98 -12.045 -9.469 -8.409 1.00 0.00 H new ATOM 0 HA MET A 98 -13.445 -7.638 -10.070 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.831 -9.648 -10.582 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.110 -9.932 -10.751 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.099 -10.971 -8.465 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.837 -10.763 -8.393 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.323 -13.626 -9.967 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.440 -12.040 -9.168 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.362 -12.138 -10.943 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.575 -7.861 -7.163 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.635 -7.477 -6.236 1.00 0.00 C ATOM 1509 C LEU A 99 -15.480 -6.022 -5.805 1.00 0.00 C ATOM 1510 O LEU A 99 -16.454 -5.367 -5.435 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.619 -8.389 -5.008 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.676 -9.891 -5.287 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.748 -10.673 -3.984 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.863 -10.224 -6.178 1.00 0.00 C ATOM 0 H LEU A 99 -13.664 -8.003 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.591 -7.585 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.715 -8.180 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.465 -8.125 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.764 -10.179 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.788 -11.740 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.865 -10.458 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.642 -10.381 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.887 -11.297 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.786 -9.921 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.768 -9.692 -7.125 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.249 -5.522 -5.858 1.00 0.00 N ATOM 1527 CA GLY A 100 -13.991 -4.146 -5.473 1.00 0.00 C ATOM 1528 C GLY A 100 -12.617 -3.966 -4.858 1.00 0.00 C ATOM 1529 O GLY A 100 -11.765 -4.847 -4.958 1.00 0.00 O ATOM 0 H GLY A 100 -13.427 -6.044 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.081 -3.504 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.750 -3.822 -4.761 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.402 -2.820 -4.219 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.121 -2.526 -3.587 1.00 0.00 C ATOM 1535 C GLU A 101 -11.179 -2.798 -2.087 1.00 0.00 C ATOM 1536 O GLU A 101 -12.256 -2.817 -1.490 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.726 -1.069 -3.838 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.551 -0.070 -3.045 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.948 0.111 -3.606 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.105 0.021 -4.842 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -13.883 0.340 -2.813 1.00 0.00 O ATOM 0 H GLU A 101 -13.098 -2.080 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.369 -3.180 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.673 -0.938 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.830 -0.851 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.620 -0.403 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.039 0.892 -3.037 1.00 0.00 H new ATOM 1548 N SER A 102 -10.014 -3.008 -1.484 1.00 0.00 N ATOM 1549 CA SER A 102 -9.932 -3.284 -0.055 1.00 0.00 C ATOM 1550 C SER A 102 -9.718 -1.997 0.736 1.00 0.00 C ATOM 1551 O SER A 102 -9.551 -0.923 0.159 1.00 0.00 O ATOM 1552 CB SER A 102 -8.794 -4.267 0.233 1.00 0.00 C ATOM 1553 OG SER A 102 -7.566 -3.584 0.418 1.00 0.00 O ATOM 0 H SER A 102 -9.114 -2.992 -1.963 1.00 0.00 H new ATOM 0 HA SER A 102 -10.876 -3.730 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.028 -4.849 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.701 -4.973 -0.593 1.00 0.00 H new ATOM 0 HG SER A 102 -7.541 -3.193 1.316 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.726 -2.114 2.060 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.535 -0.959 2.929 1.00 0.00 C ATOM 1561 C GLU A 103 -8.082 -0.493 2.901 1.00 0.00 C ATOM 1562 O GLU A 103 -7.170 -1.240 2.549 1.00 0.00 O ATOM 1563 CB GLU A 103 -9.945 -1.299 4.364 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.406 -1.011 4.664 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.736 -1.137 6.138 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -12.088 -2.252 6.574 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -11.641 -0.119 6.856 1.00 0.00 O ATOM 0 H GLU A 103 -9.863 -2.996 2.554 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.166 -0.150 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.746 -2.355 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.322 -0.731 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.651 -0.004 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.032 -1.699 4.096 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.861 0.774 3.282 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.523 1.371 3.310 1.00 0.00 C ATOM 1576 C PRO A 104 -5.649 0.783 4.413 1.00 0.00 C ATOM 1577 O PRO A 104 -5.813 1.111 5.588 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.799 2.852 3.578 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.112 2.871 4.281 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.901 1.723 3.716 1.00 0.00 C ATOM 0 HA PRO A 104 -5.976 1.187 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.015 3.296 4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.839 3.422 2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.980 2.761 5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.628 3.817 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.560 1.282 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.529 2.039 2.883 1.00 0.00 H new ATOM 1588 N SER A 105 -4.720 -0.086 4.027 1.00 0.00 N ATOM 1589 CA SER A 105 -3.823 -0.721 4.984 1.00 0.00 C ATOM 1590 C SER A 105 -3.214 0.312 5.927 1.00 0.00 C ATOM 1591 O SER A 105 -3.058 1.480 5.569 1.00 0.00 O ATOM 1592 CB SER A 105 -2.713 -1.477 4.252 1.00 0.00 C ATOM 1593 OG SER A 105 -1.738 -0.583 3.742 1.00 0.00 O ATOM 0 H SER A 105 -4.569 -0.366 3.058 1.00 0.00 H new ATOM 0 HA SER A 105 -4.405 -1.428 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.241 -2.185 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.142 -2.057 3.435 1.00 0.00 H new ATOM 0 HG SER A 105 -0.964 -0.566 4.343 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.871 -0.126 7.134 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.277 0.759 8.128 1.00 0.00 C ATOM 1601 C ALA A 106 -1.165 1.605 7.516 1.00 0.00 C ATOM 1602 O ALA A 106 -0.381 1.139 6.690 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.742 -0.048 9.302 1.00 0.00 C ATOM 0 H ALA A 106 -2.994 -1.089 7.447 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.055 1.433 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.301 0.626 10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.558 -0.604 9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.983 -0.745 8.948 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.095 2.880 7.928 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.083 3.818 7.432 1.00 0.00 C ATOM 1611 C PRO A 107 1.316 3.477 7.930 1.00 0.00 C ATOM 1612 O PRO A 107 1.674 3.789 9.066 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.540 5.165 7.999 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.330 4.816 9.214 1.00 0.00 C ATOM 1615 CD PRO A 107 -1.998 3.503 8.910 1.00 0.00 C ATOM 0 HA PRO A 107 -0.009 3.801 6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.311 5.799 8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.145 5.714 7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.685 4.732 10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.068 5.587 9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.104 2.889 9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.998 3.646 8.502 1.00 0.00 H new ATOM 1623 N SER A 108 2.104 2.835 7.074 1.00 0.00 N ATOM 1624 CA SER A 108 3.465 2.449 7.428 1.00 0.00 C ATOM 1625 C SER A 108 4.219 3.622 8.049 1.00 0.00 C ATOM 1626 O SER A 108 3.869 4.782 7.833 1.00 0.00 O ATOM 1627 CB SER A 108 4.213 1.945 6.193 1.00 0.00 C ATOM 1628 OG SER A 108 4.587 3.020 5.349 1.00 0.00 O ATOM 0 H SER A 108 1.823 2.571 6.130 1.00 0.00 H new ATOM 0 HA SER A 108 3.408 1.646 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.102 1.395 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.582 1.248 5.641 1.00 0.00 H new ATOM 0 HG SER A 108 5.460 3.367 5.629 1.00 0.00 H new ATOM 1634 N ARG A 109 5.253 3.310 8.822 1.00 0.00 N ATOM 1635 CA ARG A 109 6.056 4.337 9.476 1.00 0.00 C ATOM 1636 C ARG A 109 6.480 5.412 8.480 1.00 0.00 C ATOM 1637 O ARG A 109 6.627 5.161 7.284 1.00 0.00 O ATOM 1638 CB ARG A 109 7.292 3.711 10.125 1.00 0.00 C ATOM 1639 CG ARG A 109 8.159 2.928 9.153 1.00 0.00 C ATOM 1640 CD ARG A 109 9.525 2.623 9.747 1.00 0.00 C ATOM 1641 NE ARG A 109 9.503 1.427 10.586 1.00 0.00 N ATOM 1642 CZ ARG A 109 10.592 0.878 11.112 1.00 0.00 C ATOM 1643 NH1 ARG A 109 11.784 1.413 10.887 1.00 0.00 N ATOM 1644 NH2 ARG A 109 10.490 -0.211 11.865 1.00 0.00 N ATOM 0 H ARG A 109 5.555 2.354 9.011 1.00 0.00 H new ATOM 0 HA ARG A 109 5.445 4.803 10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.892 4.499 10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.973 3.048 10.930 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.660 1.996 8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.281 3.498 8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.248 2.488 8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.861 3.475 10.339 1.00 0.00 H new ATOM 0 HE ARG A 109 8.602 0.990 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.867 2.249 10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.618 0.989 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.575 -0.626 12.040 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.327 -0.632 12.269 1.00 0.00 H new ATOM 1658 N PRO A 110 6.681 6.639 8.983 1.00 0.00 N ATOM 1659 CA PRO A 110 7.090 7.776 8.154 1.00 0.00 C ATOM 1660 C PRO A 110 8.523 7.641 7.652 1.00 0.00 C ATOM 1661 O PRO A 110 9.444 7.393 8.431 1.00 0.00 O ATOM 1662 CB PRO A 110 6.969 8.969 9.106 1.00 0.00 C ATOM 1663 CG PRO A 110 7.125 8.387 10.467 1.00 0.00 C ATOM 1664 CD PRO A 110 6.525 7.009 10.399 1.00 0.00 C ATOM 0 HA PRO A 110 6.480 7.865 7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.737 9.715 8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.005 9.466 8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.176 8.342 10.754 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.617 8.998 11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.044 6.312 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.478 7.011 10.701 1.00 0.00 H new ATOM 1672 N TYR A 111 8.705 7.806 6.346 1.00 0.00 N ATOM 1673 CA TYR A 111 10.027 7.699 5.739 1.00 0.00 C ATOM 1674 C TYR A 111 10.441 9.023 5.102 1.00 0.00 C ATOM 1675 O TYR A 111 9.747 9.550 4.233 1.00 0.00 O ATOM 1676 CB TYR A 111 10.041 6.588 4.688 1.00 0.00 C ATOM 1677 CG TYR A 111 11.424 6.253 4.180 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.232 5.345 4.856 1.00 0.00 C ATOM 1679 CD2 TYR A 111 11.925 6.842 3.027 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.497 5.036 4.395 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.189 6.538 2.559 1.00 0.00 C ATOM 1682 CZ TYR A 111 13.971 5.634 3.247 1.00 0.00 C ATOM 1683 OH TYR A 111 15.231 5.329 2.785 1.00 0.00 O ATOM 0 H TYR A 111 7.954 8.014 5.688 1.00 0.00 H new ATOM 0 HA TYR A 111 10.742 7.454 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.592 5.691 5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.417 6.888 3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.865 4.874 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.316 7.551 2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.112 4.329 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.562 7.005 1.660 1.00 0.00 H new ATOM 0 HH TYR A 111 15.410 5.836 1.965 1.00 0.00 H new ATOM 1693 N VAL A 112 11.578 9.552 5.540 1.00 0.00 N ATOM 1694 CA VAL A 112 12.088 10.813 5.014 1.00 0.00 C ATOM 1695 C VAL A 112 13.150 10.572 3.946 1.00 0.00 C ATOM 1696 O VAL A 112 14.303 10.276 4.258 1.00 0.00 O ATOM 1697 CB VAL A 112 12.688 11.687 6.131 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.189 13.007 5.565 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.662 11.924 7.230 1.00 0.00 C ATOM 0 H VAL A 112 12.164 9.127 6.258 1.00 0.00 H new ATOM 0 HA VAL A 112 11.241 11.337 4.570 1.00 0.00 H new ATOM 0 HB VAL A 112 13.537 11.160 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.609 13.611 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.957 12.814 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.360 13.543 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.102 12.543 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.792 12.431 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.356 10.968 7.654 1.00 0.00 H new ATOM 1709 N VAL A 113 12.753 10.702 2.684 1.00 0.00 N ATOM 1710 CA VAL A 113 13.671 10.501 1.569 1.00 0.00 C ATOM 1711 C VAL A 113 14.712 11.613 1.508 1.00 0.00 C ATOM 1712 O VAL A 113 14.406 12.744 1.130 1.00 0.00 O ATOM 1713 CB VAL A 113 12.919 10.442 0.227 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.879 10.650 -0.934 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.182 9.118 0.087 1.00 0.00 C ATOM 0 H VAL A 113 11.802 10.946 2.408 1.00 0.00 H new ATOM 0 HA VAL A 113 14.171 9.548 1.738 1.00 0.00 H new ATOM 0 HB VAL A 113 12.184 11.246 0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.329 10.605 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.358 11.625 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.640 9.870 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.656 9.094 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.898 8.297 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.464 9.014 0.900 1.00 0.00 H new ATOM 1725 N SER A 114 15.945 11.283 1.879 1.00 0.00 N ATOM 1726 CA SER A 114 17.032 12.254 1.869 1.00 0.00 C ATOM 1727 C SER A 114 17.967 12.011 0.688 1.00 0.00 C ATOM 1728 O SER A 114 19.124 12.430 0.701 1.00 0.00 O ATOM 1729 CB SER A 114 17.820 12.184 3.179 1.00 0.00 C ATOM 1730 OG SER A 114 18.431 13.428 3.474 1.00 0.00 O ATOM 0 H SER A 114 16.216 10.350 2.190 1.00 0.00 H new ATOM 0 HA SER A 114 16.596 13.248 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.153 11.901 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.583 11.409 3.107 1.00 0.00 H new ATOM 0 HG SER A 114 19.004 13.696 2.726 1.00 0.00 H new