USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 963 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 42 MET CE :methyl -111:sc= -4.61! (180deg=-6.35!) USER MOD Set 1.2: A 49 TYR OH : rot 150:sc= -0.433 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot 71:sc= 0.865 USER MOD Single : A 11 SER OG : rot 180:sc= -0.17 USER MOD Single : A 17 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.044) USER MOD Single : A 24 THR OG1 : rot 109:sc= 1.49 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 152:sc= -0.346 (180deg=-2.22!) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.175 (180deg=-0.79) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.292 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.209 F(o=-2.8!,f=-0.21) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.96! C(o=-2!,f=-6!) USER MOD Single : A 56 TYR OH : rot 10:sc= 0.321 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -156:sc= 0.116 USER MOD Single : A 66 MET CE :methyl 179:sc= -1.68 (180deg=-1.71) USER MOD Single : A 79 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.053) USER MOD Single : A 81 ASN : amide:sc= -8.19! C(o=-8.2!,f=-8.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -3.14! C(o=-3.1!,f=-5.8!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc=-0.00268 X(o=-0.0027,f=-0.29) USER MOD Single : A 131 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-5.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 1.866 3.932 17.714 1.00 0.00 N ATOM 96 CA PRO A 7 3.239 4.429 17.842 1.00 0.00 C ATOM 97 C PRO A 7 3.852 4.815 16.507 1.00 0.00 C ATOM 98 O PRO A 7 4.985 5.292 16.441 1.00 0.00 O ATOM 99 CB PRO A 7 4.007 3.249 18.454 1.00 0.00 C ATOM 100 CG PRO A 7 2.967 2.265 18.880 1.00 0.00 C ATOM 101 CD PRO A 7 1.790 2.490 17.979 1.00 0.00 C ATOM 0 HA PRO A 7 3.274 5.336 18.445 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.689 2.807 17.728 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.610 3.573 19.302 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.337 1.244 18.791 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.693 2.415 19.924 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.862 1.904 17.063 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.852 2.214 18.460 1.00 0.00 H new ATOM 109 N VAL A 8 3.095 4.602 15.450 1.00 0.00 N ATOM 110 CA VAL A 8 3.550 4.920 14.101 1.00 0.00 C ATOM 111 C VAL A 8 2.542 5.802 13.370 1.00 0.00 C ATOM 112 O VAL A 8 1.336 5.562 13.428 1.00 0.00 O ATOM 113 CB VAL A 8 3.782 3.640 13.273 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.454 3.973 11.948 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.606 2.633 14.062 1.00 0.00 C ATOM 0 H VAL A 8 2.155 4.208 15.494 1.00 0.00 H new ATOM 0 HA VAL A 8 4.492 5.459 14.206 1.00 0.00 H new ATOM 0 HB VAL A 8 2.813 3.190 13.057 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.609 3.057 11.378 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.819 4.651 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.416 4.450 12.137 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.759 1.737 13.461 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.572 3.071 14.313 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.078 2.369 14.978 1.00 0.00 H new ATOM 125 N THR A 9 3.045 6.824 12.682 1.00 0.00 N ATOM 126 CA THR A 9 2.189 7.741 11.939 1.00 0.00 C ATOM 127 C THR A 9 2.817 8.109 10.599 1.00 0.00 C ATOM 128 O THR A 9 4.026 8.322 10.508 1.00 0.00 O ATOM 129 CB THR A 9 1.917 9.032 12.730 1.00 0.00 C ATOM 130 OG1 THR A 9 3.150 9.704 13.013 1.00 0.00 O ATOM 131 CG2 THR A 9 1.190 8.729 14.032 1.00 0.00 C ATOM 0 H THR A 9 4.041 7.037 12.624 1.00 0.00 H new ATOM 0 HA THR A 9 1.245 7.222 11.772 1.00 0.00 H new ATOM 0 HB THR A 9 1.284 9.676 12.120 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.967 10.525 13.515 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.009 9.658 14.573 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.238 8.246 13.813 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.801 8.066 14.644 1.00 0.00 H new ATOM 139 N ALA A 10 1.989 8.182 9.564 1.00 0.00 N ATOM 140 CA ALA A 10 2.466 8.525 8.231 1.00 0.00 C ATOM 141 C ALA A 10 2.396 10.030 7.995 1.00 0.00 C ATOM 142 O ALA A 10 1.880 10.775 8.828 1.00 0.00 O ATOM 143 CB ALA A 10 1.661 7.784 7.174 1.00 0.00 C ATOM 0 H ALA A 10 0.986 8.008 9.622 1.00 0.00 H new ATOM 0 HA ALA A 10 3.510 8.219 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.029 8.051 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.766 6.709 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.610 8.060 7.257 1.00 0.00 H new ATOM 149 N SER A 11 2.916 10.471 6.854 1.00 0.00 N ATOM 150 CA SER A 11 2.912 11.892 6.512 1.00 0.00 C ATOM 151 C SER A 11 3.021 12.092 5.003 1.00 0.00 C ATOM 152 O SER A 11 3.343 11.164 4.269 1.00 0.00 O ATOM 153 CB SER A 11 4.063 12.610 7.218 1.00 0.00 C ATOM 154 OG SER A 11 4.072 13.991 6.905 1.00 0.00 O ATOM 0 H SER A 11 3.345 9.868 6.151 1.00 0.00 H new ATOM 0 HA SER A 11 1.966 12.317 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.970 12.479 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.011 12.161 6.923 1.00 0.00 H new ATOM 0 HG SER A 11 4.816 14.427 7.370 1.00 0.00 H new ATOM 160 N LEU A 12 2.752 13.312 4.548 1.00 0.00 N ATOM 161 CA LEU A 12 2.822 13.630 3.130 1.00 0.00 C ATOM 162 C LEU A 12 4.144 14.312 2.800 1.00 0.00 C ATOM 163 O LEU A 12 4.442 15.394 3.307 1.00 0.00 O ATOM 164 CB LEU A 12 1.652 14.526 2.727 1.00 0.00 C ATOM 165 CG LEU A 12 1.412 14.637 1.220 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.083 13.273 0.631 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.296 15.628 0.933 1.00 0.00 C ATOM 0 H LEU A 12 2.484 14.096 5.143 1.00 0.00 H new ATOM 0 HA LEU A 12 2.761 12.699 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.745 14.147 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.825 15.525 3.127 1.00 0.00 H new ATOM 0 HG LEU A 12 2.325 15.002 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.915 13.371 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.914 12.590 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.183 12.880 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.137 15.696 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.622 15.292 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.571 16.608 1.322 1.00 0.00 H new ATOM 179 N VAL A 13 4.930 13.669 1.949 1.00 0.00 N ATOM 180 CA VAL A 13 6.229 14.198 1.555 1.00 0.00 C ATOM 181 C VAL A 13 6.098 15.180 0.391 1.00 0.00 C ATOM 182 O VAL A 13 5.167 15.087 -0.409 1.00 0.00 O ATOM 183 CB VAL A 13 7.192 13.058 1.169 1.00 0.00 C ATOM 184 CG1 VAL A 13 6.537 12.132 0.157 1.00 0.00 C ATOM 185 CG2 VAL A 13 8.506 13.608 0.637 1.00 0.00 C ATOM 0 H VAL A 13 4.690 12.777 1.516 1.00 0.00 H new ATOM 0 HA VAL A 13 6.637 14.731 2.414 1.00 0.00 H new ATOM 0 HB VAL A 13 7.417 12.481 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.229 11.332 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.633 11.702 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.278 12.697 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.166 12.782 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.315 14.217 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.981 14.221 1.403 1.00 0.00 H new ATOM 195 N ALA A 14 7.039 16.121 0.308 1.00 0.00 N ATOM 196 CA ALA A 14 7.037 17.126 -0.752 1.00 0.00 C ATOM 197 C ALA A 14 6.882 16.483 -2.124 1.00 0.00 C ATOM 198 O ALA A 14 7.148 15.294 -2.297 1.00 0.00 O ATOM 199 CB ALA A 14 8.314 17.951 -0.696 1.00 0.00 C ATOM 0 H ALA A 14 7.814 16.207 0.965 1.00 0.00 H new ATOM 0 HA ALA A 14 6.182 17.783 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.301 18.697 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.382 18.452 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.176 17.297 -0.827 1.00 0.00 H new ATOM 205 N GLU A 15 6.456 17.277 -3.100 1.00 0.00 N ATOM 206 CA GLU A 15 6.254 16.785 -4.459 1.00 0.00 C ATOM 207 C GLU A 15 7.581 16.627 -5.198 1.00 0.00 C ATOM 208 O GLU A 15 7.688 15.830 -6.130 1.00 0.00 O ATOM 209 CB GLU A 15 5.337 17.733 -5.232 1.00 0.00 C ATOM 210 CG GLU A 15 5.844 19.166 -5.282 1.00 0.00 C ATOM 211 CD GLU A 15 4.885 20.099 -5.996 1.00 0.00 C ATOM 212 OE1 GLU A 15 3.978 20.641 -5.330 1.00 0.00 O ATOM 213 OE2 GLU A 15 5.042 20.289 -7.221 1.00 0.00 O ATOM 0 H GLU A 15 6.243 18.267 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 15 5.785 15.803 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.220 17.362 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.348 17.722 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.006 19.526 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.810 19.188 -5.786 1.00 0.00 H new ATOM 220 N ALA A 16 8.587 17.387 -4.779 1.00 0.00 N ATOM 221 CA ALA A 16 9.900 17.331 -5.416 1.00 0.00 C ATOM 222 C ALA A 16 10.820 16.328 -4.724 1.00 0.00 C ATOM 223 O ALA A 16 11.904 16.026 -5.223 1.00 0.00 O ATOM 224 CB ALA A 16 10.538 18.711 -5.425 1.00 0.00 C ATOM 0 H ALA A 16 8.520 18.047 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 16 9.757 16.995 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.516 18.656 -5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.902 19.402 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.653 19.065 -4.401 1.00 0.00 H new ATOM 230 N GLN A 17 10.386 15.813 -3.577 1.00 0.00 N ATOM 231 CA GLN A 17 11.184 14.850 -2.824 1.00 0.00 C ATOM 232 C GLN A 17 10.511 13.481 -2.789 1.00 0.00 C ATOM 233 O GLN A 17 11.155 12.471 -2.503 1.00 0.00 O ATOM 234 CB GLN A 17 11.414 15.355 -1.399 1.00 0.00 C ATOM 235 CG GLN A 17 12.156 16.680 -1.338 1.00 0.00 C ATOM 236 CD GLN A 17 13.584 16.568 -1.834 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.509 16.341 -1.053 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.770 16.717 -3.140 1.00 0.00 N ATOM 0 H GLN A 17 9.489 16.045 -3.150 1.00 0.00 H new ATOM 0 HA GLN A 17 12.145 14.744 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.451 15.464 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.978 14.606 -0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.624 17.419 -1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.159 17.044 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.974 16.904 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.708 16.644 -3.533 1.00 0.00 H new ATOM 247 N ARG A 18 9.216 13.454 -3.080 1.00 0.00 N ATOM 248 CA ARG A 18 8.457 12.209 -3.079 1.00 0.00 C ATOM 249 C ARG A 18 8.928 11.283 -4.196 1.00 0.00 C ATOM 250 O ARG A 18 8.721 10.072 -4.143 1.00 0.00 O ATOM 251 CB ARG A 18 6.963 12.499 -3.240 1.00 0.00 C ATOM 252 CG ARG A 18 6.622 13.223 -4.532 1.00 0.00 C ATOM 253 CD ARG A 18 5.128 13.485 -4.650 1.00 0.00 C ATOM 254 NE ARG A 18 4.357 12.247 -4.714 1.00 0.00 N ATOM 255 CZ ARG A 18 3.331 12.060 -5.539 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.955 13.026 -6.367 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.678 10.905 -5.536 1.00 0.00 N ATOM 0 H ARG A 18 8.669 14.281 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 18 8.624 11.712 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.412 11.559 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.625 13.100 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.162 14.169 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.956 12.628 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.795 14.075 -3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.934 14.079 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 18 4.620 11.483 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.453 13.916 -6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.168 12.879 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.963 10.160 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.891 10.762 -6.169 1.00 0.00 H new ATOM 271 N LEU A 19 9.566 11.867 -5.203 1.00 0.00 N ATOM 272 CA LEU A 19 10.062 11.104 -6.342 1.00 0.00 C ATOM 273 C LEU A 19 11.351 10.363 -5.999 1.00 0.00 C ATOM 274 O LEU A 19 11.725 9.407 -6.679 1.00 0.00 O ATOM 275 CB LEU A 19 10.293 12.037 -7.530 1.00 0.00 C ATOM 276 CG LEU A 19 11.150 13.269 -7.229 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.627 12.957 -7.427 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.725 14.440 -8.102 1.00 0.00 C ATOM 0 H LEU A 19 9.752 12.869 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 19 9.310 10.360 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.768 11.470 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.325 12.369 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 19 10.998 13.547 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.219 13.846 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.922 12.150 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.799 12.652 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.345 15.307 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.845 14.173 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.680 14.680 -7.906 1.00 0.00 H new ATOM 290 N ASP A 20 12.024 10.806 -4.945 1.00 0.00 N ATOM 291 CA ASP A 20 13.272 10.181 -4.520 1.00 0.00 C ATOM 292 C ASP A 20 13.051 9.326 -3.279 1.00 0.00 C ATOM 293 O ASP A 20 13.850 8.444 -2.970 1.00 0.00 O ATOM 294 CB ASP A 20 14.330 11.245 -4.230 1.00 0.00 C ATOM 295 CG ASP A 20 15.689 10.646 -3.929 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.402 10.281 -4.888 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.041 10.541 -2.736 1.00 0.00 O ATOM 0 H ASP A 20 11.728 11.594 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 20 13.622 9.541 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.413 11.913 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.008 11.851 -3.383 1.00 0.00 H new ATOM 302 N PHE A 21 11.954 9.588 -2.579 1.00 0.00 N ATOM 303 CA PHE A 21 11.624 8.853 -1.364 1.00 0.00 C ATOM 304 C PHE A 21 11.336 7.389 -1.679 1.00 0.00 C ATOM 305 O PHE A 21 11.788 6.491 -0.970 1.00 0.00 O ATOM 306 CB PHE A 21 10.408 9.478 -0.680 1.00 0.00 C ATOM 307 CG PHE A 21 10.233 9.053 0.749 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.576 7.874 1.060 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.724 9.834 1.782 1.00 0.00 C ATOM 310 CE1 PHE A 21 9.412 7.481 2.374 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.564 9.448 3.099 1.00 0.00 C ATOM 312 CZ PHE A 21 9.906 8.269 3.395 1.00 0.00 C ATOM 0 H PHE A 21 11.276 10.306 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 21 12.482 8.906 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.499 10.564 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.511 9.214 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.187 7.254 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.238 10.756 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.898 6.559 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.952 10.066 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.778 7.964 4.423 1.00 0.00 H new ATOM 322 N LEU A 22 10.578 7.160 -2.748 1.00 0.00 N ATOM 323 CA LEU A 22 10.223 5.807 -3.157 1.00 0.00 C ATOM 324 C LEU A 22 11.473 4.972 -3.452 1.00 0.00 C ATOM 325 O LEU A 22 11.642 3.895 -2.886 1.00 0.00 O ATOM 326 CB LEU A 22 9.304 5.842 -4.384 1.00 0.00 C ATOM 327 CG LEU A 22 8.181 4.800 -4.390 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.746 3.395 -4.243 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.178 5.090 -3.284 1.00 0.00 C ATOM 0 H LEU A 22 10.199 7.894 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 22 9.689 5.336 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.858 6.834 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.912 5.702 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 22 7.666 4.861 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.930 2.672 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.423 3.186 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.291 3.318 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.388 4.340 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.683 5.060 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.744 6.078 -3.436 1.00 0.00 H new ATOM 341 N PRO A 23 12.369 5.452 -4.340 1.00 0.00 N ATOM 342 CA PRO A 23 13.596 4.722 -4.684 1.00 0.00 C ATOM 343 C PRO A 23 14.605 4.708 -3.539 1.00 0.00 C ATOM 344 O PRO A 23 15.521 3.887 -3.513 1.00 0.00 O ATOM 345 CB PRO A 23 14.153 5.505 -5.875 1.00 0.00 C ATOM 346 CG PRO A 23 13.621 6.885 -5.701 1.00 0.00 C ATOM 347 CD PRO A 23 12.262 6.727 -5.079 1.00 0.00 C ATOM 0 HA PRO A 23 13.397 3.672 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.243 5.498 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.828 5.072 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.276 7.479 -5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.555 7.402 -6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.025 7.558 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.477 6.689 -5.834 1.00 0.00 H new ATOM 355 N THR A 24 14.435 5.630 -2.600 1.00 0.00 N ATOM 356 CA THR A 24 15.331 5.729 -1.451 1.00 0.00 C ATOM 357 C THR A 24 14.968 4.727 -0.357 1.00 0.00 C ATOM 358 O THR A 24 15.844 4.217 0.343 1.00 0.00 O ATOM 359 CB THR A 24 15.316 7.155 -0.864 1.00 0.00 C ATOM 360 OG1 THR A 24 16.060 8.039 -1.708 1.00 0.00 O ATOM 361 CG2 THR A 24 15.897 7.181 0.539 1.00 0.00 C ATOM 0 H THR A 24 13.685 6.321 -2.610 1.00 0.00 H new ATOM 0 HA THR A 24 16.333 5.495 -1.812 1.00 0.00 H new ATOM 0 HB THR A 24 14.278 7.485 -0.811 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.445 8.650 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.872 8.200 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.309 6.533 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.928 6.828 0.512 1.00 0.00 H new ATOM 369 N TYR A 25 13.679 4.440 -0.217 1.00 0.00 N ATOM 370 CA TYR A 25 13.216 3.509 0.809 1.00 0.00 C ATOM 371 C TYR A 25 12.852 2.150 0.220 1.00 0.00 C ATOM 372 O TYR A 25 12.776 1.154 0.939 1.00 0.00 O ATOM 373 CB TYR A 25 12.019 4.096 1.550 1.00 0.00 C ATOM 374 CG TYR A 25 12.408 5.083 2.628 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.839 6.363 2.304 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.349 4.730 3.970 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.201 7.264 3.288 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.709 5.626 4.959 1.00 0.00 C ATOM 379 CZ TYR A 25 13.134 6.891 4.613 1.00 0.00 C ATOM 380 OH TYR A 25 13.495 7.784 5.595 1.00 0.00 O ATOM 0 H TYR A 25 12.939 4.835 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 25 14.037 3.357 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.364 4.591 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.445 3.285 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.892 6.659 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.017 3.740 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.535 8.255 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.658 5.336 5.998 1.00 0.00 H new ATOM 0 HH TYR A 25 13.389 7.364 6.474 1.00 0.00 H new ATOM 390 N PHE A 26 12.629 2.113 -1.087 1.00 0.00 N ATOM 391 CA PHE A 26 12.273 0.873 -1.763 1.00 0.00 C ATOM 392 C PHE A 26 13.391 0.440 -2.699 1.00 0.00 C ATOM 393 O PHE A 26 13.721 -0.743 -2.789 1.00 0.00 O ATOM 394 CB PHE A 26 10.975 1.056 -2.551 1.00 0.00 C ATOM 395 CG PHE A 26 10.087 -0.159 -2.552 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.967 -0.952 -1.419 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.370 -0.506 -3.685 1.00 0.00 C ATOM 398 CE1 PHE A 26 9.150 -2.066 -1.419 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.552 -1.618 -3.691 1.00 0.00 C ATOM 400 CZ PHE A 26 8.441 -2.399 -2.556 1.00 0.00 C ATOM 0 H PHE A 26 12.688 2.926 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 26 12.125 0.098 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.423 1.897 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.220 1.316 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.519 -0.695 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.452 0.101 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 26 9.066 -2.675 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.999 -1.878 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.801 -3.269 -2.559 1.00 0.00 H new ATOM 410 N GLY A 27 13.967 1.411 -3.394 1.00 0.00 N ATOM 411 CA GLY A 27 15.047 1.125 -4.317 1.00 0.00 C ATOM 412 C GLY A 27 14.862 1.825 -5.647 1.00 0.00 C ATOM 413 O GLY A 27 13.752 1.861 -6.178 1.00 0.00 O ATOM 0 H GLY A 27 13.705 2.395 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.993 1.435 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.108 0.049 -4.480 1.00 0.00 H new ATOM 417 N PRO A 28 15.937 2.397 -6.216 1.00 0.00 N ATOM 418 CA PRO A 28 15.866 3.099 -7.499 1.00 0.00 C ATOM 419 C PRO A 28 15.364 2.197 -8.615 1.00 0.00 C ATOM 420 O PRO A 28 15.031 2.666 -9.701 1.00 0.00 O ATOM 421 CB PRO A 28 17.313 3.535 -7.765 1.00 0.00 C ATOM 422 CG PRO A 28 18.150 2.688 -6.866 1.00 0.00 C ATOM 423 CD PRO A 28 17.300 2.401 -5.662 1.00 0.00 C ATOM 0 HA PRO A 28 15.166 3.934 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.583 3.386 -8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.451 4.594 -7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.447 1.765 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.066 3.206 -6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.554 1.444 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.421 3.162 -4.891 1.00 0.00 H new ATOM 431 N ARG A 29 15.321 0.898 -8.344 1.00 0.00 N ATOM 432 CA ARG A 29 14.847 -0.063 -9.328 1.00 0.00 C ATOM 433 C ARG A 29 13.418 -0.507 -9.032 1.00 0.00 C ATOM 434 O ARG A 29 12.616 -0.677 -9.951 1.00 0.00 O ATOM 435 CB ARG A 29 15.769 -1.285 -9.378 1.00 0.00 C ATOM 436 CG ARG A 29 15.235 -2.406 -10.258 1.00 0.00 C ATOM 437 CD ARG A 29 14.972 -1.927 -11.678 1.00 0.00 C ATOM 438 NE ARG A 29 13.985 -2.757 -12.364 1.00 0.00 N ATOM 439 CZ ARG A 29 14.051 -3.068 -13.655 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.061 -2.630 -14.396 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.107 -3.817 -14.208 1.00 0.00 N ATOM 0 H ARG A 29 15.608 0.489 -7.455 1.00 0.00 H new ATOM 0 HA ARG A 29 14.857 0.433 -10.298 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.748 -0.978 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.914 -1.664 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.952 -3.227 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.313 -2.798 -9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.623 -0.895 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.905 -1.934 -12.241 1.00 0.00 H new ATOM 0 HE ARG A 29 13.200 -3.119 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.789 -2.053 -13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.109 -2.870 -15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.328 -4.156 -13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.159 -4.054 -15.199 1.00 0.00 H new ATOM 455 N LEU A 30 13.094 -0.696 -7.754 1.00 0.00 N ATOM 456 CA LEU A 30 11.765 -1.140 -7.353 1.00 0.00 C ATOM 457 C LEU A 30 10.711 -0.057 -7.546 1.00 0.00 C ATOM 458 O LEU A 30 9.541 -0.362 -7.748 1.00 0.00 O ATOM 459 CB LEU A 30 11.787 -1.562 -5.881 1.00 0.00 C ATOM 460 CG LEU A 30 12.368 -2.950 -5.601 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.849 -2.993 -5.946 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.148 -3.328 -4.143 1.00 0.00 C ATOM 0 H LEU A 30 13.738 -0.547 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 30 11.498 -1.983 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.363 -0.826 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.767 -1.530 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 30 11.852 -3.674 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.242 -3.988 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.983 -2.762 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.384 -2.259 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.566 -4.317 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.641 -2.599 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.080 -3.339 -3.927 1.00 0.00 H new ATOM 474 N MET A 31 11.127 1.201 -7.456 1.00 0.00 N ATOM 475 CA MET A 31 10.214 2.337 -7.610 1.00 0.00 C ATOM 476 C MET A 31 9.101 2.069 -8.626 1.00 0.00 C ATOM 477 O MET A 31 7.975 2.534 -8.453 1.00 0.00 O ATOM 478 CB MET A 31 10.996 3.586 -8.010 1.00 0.00 C ATOM 479 CG MET A 31 12.032 3.328 -9.091 1.00 0.00 C ATOM 480 SD MET A 31 11.889 4.485 -10.469 1.00 0.00 S ATOM 481 CE MET A 31 13.132 3.848 -11.590 1.00 0.00 C ATOM 0 H MET A 31 12.096 1.465 -7.276 1.00 0.00 H new ATOM 0 HA MET A 31 9.734 2.493 -6.644 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.298 4.346 -8.360 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.494 3.992 -7.129 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.030 3.402 -8.659 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.920 2.309 -9.462 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.855 4.091 -12.616 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.097 4.299 -11.358 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.202 2.766 -11.479 1.00 0.00 H new ATOM 491 N MET A 32 9.415 1.324 -9.680 1.00 0.00 N ATOM 492 CA MET A 32 8.429 1.004 -10.705 1.00 0.00 C ATOM 493 C MET A 32 7.848 -0.390 -10.480 1.00 0.00 C ATOM 494 O MET A 32 6.659 -0.620 -10.700 1.00 0.00 O ATOM 495 CB MET A 32 9.057 1.095 -12.097 1.00 0.00 C ATOM 496 CG MET A 32 10.193 0.110 -12.321 1.00 0.00 C ATOM 497 SD MET A 32 10.938 0.269 -13.957 1.00 0.00 S ATOM 498 CE MET A 32 9.519 -0.033 -15.008 1.00 0.00 C ATOM 0 H MET A 32 10.342 0.931 -9.847 1.00 0.00 H new ATOM 0 HA MET A 32 7.619 1.731 -10.637 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.285 0.922 -12.846 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.430 2.107 -12.252 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.959 0.265 -11.561 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.819 -0.906 -12.194 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.858 -0.303 -16.008 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.926 -0.848 -14.594 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.908 0.868 -15.063 1.00 0.00 H new ATOM 508 N ARG A 33 8.697 -1.315 -10.040 1.00 0.00 N ATOM 509 CA ARG A 33 8.271 -2.686 -9.780 1.00 0.00 C ATOM 510 C ARG A 33 7.265 -2.744 -8.634 1.00 0.00 C ATOM 511 O ARG A 33 6.487 -3.693 -8.528 1.00 0.00 O ATOM 512 CB ARG A 33 9.479 -3.564 -9.445 1.00 0.00 C ATOM 513 CG ARG A 33 10.442 -3.748 -10.605 1.00 0.00 C ATOM 514 CD ARG A 33 11.593 -4.667 -10.229 1.00 0.00 C ATOM 515 NE ARG A 33 12.469 -4.945 -11.363 1.00 0.00 N ATOM 516 CZ ARG A 33 13.556 -5.708 -11.285 1.00 0.00 C ATOM 517 NH1 ARG A 33 13.899 -6.264 -10.131 1.00 0.00 N ATOM 518 NH2 ARG A 33 14.301 -5.915 -12.362 1.00 0.00 N ATOM 0 H ARG A 33 9.685 -1.139 -9.856 1.00 0.00 H new ATOM 0 HA ARG A 33 7.789 -3.060 -10.683 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.016 -3.122 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.126 -4.542 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.909 -4.162 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.834 -2.778 -10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.173 -4.211 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.195 -5.605 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 33 12.235 -4.531 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.329 -6.107 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.733 -6.849 -10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.041 -5.489 -13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.134 -6.500 -12.301 1.00 0.00 H new ATOM 532 N GLY A 34 7.284 -1.726 -7.777 1.00 0.00 N ATOM 533 CA GLY A 34 6.375 -1.689 -6.648 1.00 0.00 C ATOM 534 C GLY A 34 5.172 -0.805 -6.901 1.00 0.00 C ATOM 535 O GLY A 34 4.049 -1.158 -6.540 1.00 0.00 O ATOM 0 H GLY A 34 7.914 -0.927 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.038 -2.701 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.908 -1.329 -5.768 1.00 0.00 H new ATOM 539 N GLU A 35 5.406 0.347 -7.522 1.00 0.00 N ATOM 540 CA GLU A 35 4.330 1.283 -7.824 1.00 0.00 C ATOM 541 C GLU A 35 3.273 0.619 -8.696 1.00 0.00 C ATOM 542 O GLU A 35 2.073 0.810 -8.491 1.00 0.00 O ATOM 543 CB GLU A 35 4.883 2.519 -8.535 1.00 0.00 C ATOM 544 CG GLU A 35 3.815 3.539 -8.901 1.00 0.00 C ATOM 545 CD GLU A 35 4.354 4.664 -9.762 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.336 4.521 -11.003 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.794 5.685 -9.197 1.00 0.00 O ATOM 0 H GLU A 35 6.330 0.654 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 35 3.871 1.589 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.624 2.996 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.400 2.205 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.005 3.037 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.389 3.957 -7.989 1.00 0.00 H new ATOM 554 N ALA A 36 3.725 -0.159 -9.672 1.00 0.00 N ATOM 555 CA ALA A 36 2.812 -0.852 -10.575 1.00 0.00 C ATOM 556 C ALA A 36 2.108 -2.016 -9.879 1.00 0.00 C ATOM 557 O ALA A 36 0.990 -2.381 -10.241 1.00 0.00 O ATOM 558 CB ALA A 36 3.563 -1.349 -11.802 1.00 0.00 C ATOM 0 H ALA A 36 4.714 -0.326 -9.859 1.00 0.00 H new ATOM 0 HA ALA A 36 2.048 -0.140 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.871 -1.864 -12.468 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.007 -0.502 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.350 -2.037 -11.493 1.00 0.00 H new ATOM 564 N LEU A 37 2.767 -2.594 -8.880 1.00 0.00 N ATOM 565 CA LEU A 37 2.206 -3.727 -8.143 1.00 0.00 C ATOM 566 C LEU A 37 1.064 -3.312 -7.219 1.00 0.00 C ATOM 567 O LEU A 37 0.043 -3.993 -7.145 1.00 0.00 O ATOM 568 CB LEU A 37 3.295 -4.412 -7.323 1.00 0.00 C ATOM 569 CG LEU A 37 3.556 -5.871 -7.693 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.326 -5.961 -9.002 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.312 -6.572 -6.578 1.00 0.00 C ATOM 0 H LEU A 37 3.690 -2.299 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 37 1.802 -4.418 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.223 -3.852 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.021 -4.363 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 37 2.597 -6.371 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.503 -7.008 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.747 -5.493 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.281 -5.447 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.490 -7.611 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.266 -6.071 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.723 -6.538 -5.662 1.00 0.00 H new ATOM 583 N VAL A 38 1.234 -2.194 -6.523 1.00 0.00 N ATOM 584 CA VAL A 38 0.208 -1.724 -5.597 1.00 0.00 C ATOM 585 C VAL A 38 -1.067 -1.354 -6.345 1.00 0.00 C ATOM 586 O VAL A 38 -2.172 -1.654 -5.892 1.00 0.00 O ATOM 587 CB VAL A 38 0.688 -0.526 -4.748 1.00 0.00 C ATOM 588 CG1 VAL A 38 1.570 0.399 -5.558 1.00 0.00 C ATOM 589 CG2 VAL A 38 -0.493 0.241 -4.172 1.00 0.00 C ATOM 0 H VAL A 38 2.062 -1.601 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.001 -2.548 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 38 1.278 -0.924 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.893 1.233 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.443 -0.149 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.010 0.780 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.128 1.079 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.115 0.616 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.083 -0.422 -3.539 1.00 0.00 H new ATOM 599 N TYR A 39 -0.910 -0.703 -7.491 1.00 0.00 N ATOM 600 CA TYR A 39 -2.054 -0.307 -8.303 1.00 0.00 C ATOM 601 C TYR A 39 -2.636 -1.516 -9.033 1.00 0.00 C ATOM 602 O TYR A 39 -3.823 -1.544 -9.358 1.00 0.00 O ATOM 603 CB TYR A 39 -1.643 0.789 -9.295 1.00 0.00 C ATOM 604 CG TYR A 39 -1.745 0.394 -10.752 1.00 0.00 C ATOM 605 CD1 TYR A 39 -2.932 0.561 -11.457 1.00 0.00 C ATOM 606 CD2 TYR A 39 -0.655 -0.145 -11.424 1.00 0.00 C ATOM 607 CE1 TYR A 39 -3.027 0.202 -12.789 1.00 0.00 C ATOM 608 CE2 TYR A 39 -0.742 -0.505 -12.756 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.931 -0.330 -13.433 1.00 0.00 C ATOM 610 OH TYR A 39 -2.023 -0.687 -14.758 1.00 0.00 O ATOM 0 H TYR A 39 -0.004 -0.439 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.828 0.095 -7.649 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.268 1.666 -9.126 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.615 1.084 -9.084 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.793 0.978 -10.956 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.277 -0.285 -10.896 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.956 0.338 -13.322 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.116 -0.921 -13.263 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.162 -1.045 -15.061 1.00 0.00 H new ATOM 620 N ALA A 40 -1.792 -2.514 -9.287 1.00 0.00 N ATOM 621 CA ALA A 40 -2.226 -3.728 -9.972 1.00 0.00 C ATOM 622 C ALA A 40 -3.262 -4.476 -9.141 1.00 0.00 C ATOM 623 O ALA A 40 -4.277 -4.937 -9.661 1.00 0.00 O ATOM 624 CB ALA A 40 -1.035 -4.628 -10.266 1.00 0.00 C ATOM 0 H ALA A 40 -0.805 -2.505 -9.029 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.687 -3.440 -10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.377 -5.528 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.326 -4.097 -10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.548 -4.904 -9.331 1.00 0.00 H new ATOM 630 N TRP A 41 -2.992 -4.596 -7.847 1.00 0.00 N ATOM 631 CA TRP A 41 -3.902 -5.276 -6.936 1.00 0.00 C ATOM 632 C TRP A 41 -5.170 -4.453 -6.743 1.00 0.00 C ATOM 633 O TRP A 41 -6.253 -5.000 -6.537 1.00 0.00 O ATOM 634 CB TRP A 41 -3.222 -5.516 -5.583 1.00 0.00 C ATOM 635 CG TRP A 41 -2.138 -6.549 -5.631 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.793 -6.330 -5.553 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.306 -7.965 -5.768 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.114 -7.521 -5.634 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.021 -8.540 -5.766 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.418 -8.803 -5.892 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.819 -9.912 -5.881 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.216 -10.166 -6.007 1.00 0.00 C ATOM 643 CH2 TRP A 41 -1.925 -10.709 -6.001 1.00 0.00 C ATOM 0 H TRP A 41 -2.149 -4.230 -7.405 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.170 -6.239 -7.370 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.801 -4.576 -5.226 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.975 -5.825 -4.857 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.330 -5.361 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.900 -7.629 -5.601 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.417 -8.393 -5.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.176 -10.333 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.068 -10.823 -6.103 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.800 -11.778 -6.093 1.00 0.00 H new ATOM 654 N MET A 42 -5.024 -3.134 -6.814 1.00 0.00 N ATOM 655 CA MET A 42 -6.147 -2.225 -6.641 1.00 0.00 C ATOM 656 C MET A 42 -7.180 -2.381 -7.755 1.00 0.00 C ATOM 657 O MET A 42 -8.370 -2.546 -7.487 1.00 0.00 O ATOM 658 CB MET A 42 -5.645 -0.784 -6.602 1.00 0.00 C ATOM 659 CG MET A 42 -6.616 0.172 -5.941 1.00 0.00 C ATOM 660 SD MET A 42 -7.004 -0.307 -4.247 1.00 0.00 S ATOM 661 CE MET A 42 -8.035 1.064 -3.746 1.00 0.00 C ATOM 0 H MET A 42 -4.133 -2.671 -6.991 1.00 0.00 H new ATOM 0 HA MET A 42 -6.633 -2.474 -5.698 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.695 -0.752 -6.069 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.451 -0.447 -7.620 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.192 1.176 -5.944 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.536 0.213 -6.524 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.510 1.661 -3.001 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.262 1.684 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.963 0.684 -3.318 1.00 0.00 H new ATOM 671 N ARG A 43 -6.720 -2.327 -9.002 1.00 0.00 N ATOM 672 CA ARG A 43 -7.613 -2.451 -10.151 1.00 0.00 C ATOM 673 C ARG A 43 -8.326 -3.801 -10.156 1.00 0.00 C ATOM 674 O ARG A 43 -9.289 -4.001 -10.897 1.00 0.00 O ATOM 675 CB ARG A 43 -6.832 -2.263 -11.453 1.00 0.00 C ATOM 676 CG ARG A 43 -5.731 -3.289 -11.658 1.00 0.00 C ATOM 677 CD ARG A 43 -4.899 -2.976 -12.890 1.00 0.00 C ATOM 678 NE ARG A 43 -3.898 -4.007 -13.152 1.00 0.00 N ATOM 679 CZ ARG A 43 -3.176 -4.069 -14.267 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.346 -3.165 -15.222 1.00 0.00 N ATOM 681 NH2 ARG A 43 -2.285 -5.038 -14.428 1.00 0.00 N ATOM 0 H ARG A 43 -5.737 -2.199 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.369 -1.670 -10.073 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.525 -2.314 -12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.393 -1.265 -11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.087 -3.313 -10.779 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.171 -4.281 -11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.555 -2.880 -13.755 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.403 -2.015 -12.757 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.744 -4.720 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.032 -2.420 -15.102 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.791 -3.215 -16.076 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.153 -5.736 -13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.732 -5.085 -15.284 1.00 0.00 H new ATOM 695 N ARG A 44 -7.848 -4.724 -9.328 1.00 0.00 N ATOM 696 CA ARG A 44 -8.448 -6.051 -9.234 1.00 0.00 C ATOM 697 C ARG A 44 -9.564 -6.065 -8.194 1.00 0.00 C ATOM 698 O ARG A 44 -10.516 -6.839 -8.296 1.00 0.00 O ATOM 699 CB ARG A 44 -7.378 -7.087 -8.877 1.00 0.00 C ATOM 700 CG ARG A 44 -6.359 -7.311 -9.982 1.00 0.00 C ATOM 701 CD ARG A 44 -5.354 -8.387 -9.607 1.00 0.00 C ATOM 702 NE ARG A 44 -5.991 -9.686 -9.404 1.00 0.00 N ATOM 703 CZ ARG A 44 -5.328 -10.838 -9.376 1.00 0.00 C ATOM 704 NH1 ARG A 44 -4.012 -10.853 -9.539 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.980 -11.976 -9.186 1.00 0.00 N ATOM 0 H ARG A 44 -7.048 -4.578 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.879 -6.306 -10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.859 -6.765 -7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.864 -8.034 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.873 -7.597 -10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.834 -6.378 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.603 -8.471 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.832 -8.093 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.003 -9.710 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.506 -9.979 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.505 -11.738 -9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.992 -11.969 -9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.470 -12.859 -9.165 1.00 0.00 H new ATOM 719 N LEU A 45 -9.439 -5.194 -7.199 1.00 0.00 N ATOM 720 CA LEU A 45 -10.430 -5.094 -6.133 1.00 0.00 C ATOM 721 C LEU A 45 -11.676 -4.349 -6.602 1.00 0.00 C ATOM 722 O LEU A 45 -12.772 -4.586 -6.098 1.00 0.00 O ATOM 723 CB LEU A 45 -9.840 -4.390 -4.914 1.00 0.00 C ATOM 724 CG LEU A 45 -8.481 -4.919 -4.446 1.00 0.00 C ATOM 725 CD1 LEU A 45 -7.999 -4.143 -3.231 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.562 -6.406 -4.133 1.00 0.00 C ATOM 0 H LEU A 45 -8.658 -4.544 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.717 -6.109 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.739 -3.329 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.547 -4.474 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.762 -4.779 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.032 -4.532 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.899 -3.089 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.720 -4.252 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.586 -6.762 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.295 -6.572 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.863 -6.950 -5.028 1.00 0.00 H new ATOM 738 N CYS A 46 -11.508 -3.449 -7.567 1.00 0.00 N ATOM 739 CA CYS A 46 -12.631 -2.681 -8.098 1.00 0.00 C ATOM 740 C CYS A 46 -12.701 -2.808 -9.616 1.00 0.00 C ATOM 741 O CYS A 46 -11.701 -2.624 -10.310 1.00 0.00 O ATOM 742 CB CYS A 46 -12.508 -1.206 -7.712 1.00 0.00 C ATOM 743 SG CYS A 46 -13.920 -0.193 -8.210 1.00 0.00 S ATOM 0 H CYS A 46 -10.608 -3.234 -7.996 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.546 -3.086 -7.666 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.385 -1.133 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.604 -0.797 -8.164 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.724 1.037 -7.838 1.00 0.00 H new ATOM 749 N GLU A 47 -13.888 -3.121 -10.126 1.00 0.00 N ATOM 750 CA GLU A 47 -14.089 -3.266 -11.563 1.00 0.00 C ATOM 751 C GLU A 47 -14.157 -1.897 -12.225 1.00 0.00 C ATOM 752 O GLU A 47 -13.899 -1.756 -13.421 1.00 0.00 O ATOM 753 CB GLU A 47 -15.371 -4.050 -11.844 1.00 0.00 C ATOM 754 CG GLU A 47 -16.617 -3.401 -11.266 1.00 0.00 C ATOM 755 CD GLU A 47 -17.860 -4.248 -11.461 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.146 -5.092 -10.586 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.546 -4.069 -12.488 1.00 0.00 O ATOM 0 H GLU A 47 -14.725 -3.279 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.245 -3.816 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.493 -4.157 -12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.270 -5.055 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.468 -3.221 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.767 -2.429 -11.736 1.00 0.00 H new ATOM 764 N ARG A 48 -14.509 -0.892 -11.433 1.00 0.00 N ATOM 765 CA ARG A 48 -14.607 0.476 -11.922 1.00 0.00 C ATOM 766 C ARG A 48 -13.423 1.291 -11.423 1.00 0.00 C ATOM 767 O ARG A 48 -13.584 2.404 -10.920 1.00 0.00 O ATOM 768 CB ARG A 48 -15.920 1.114 -11.461 1.00 0.00 C ATOM 769 CG ARG A 48 -17.160 0.367 -11.927 1.00 0.00 C ATOM 770 CD ARG A 48 -17.273 0.361 -13.442 1.00 0.00 C ATOM 771 NE ARG A 48 -17.285 1.713 -13.996 1.00 0.00 N ATOM 772 CZ ARG A 48 -17.415 1.979 -15.292 1.00 0.00 C ATOM 773 NH1 ARG A 48 -17.553 0.990 -16.164 1.00 0.00 N ATOM 774 NH2 ARG A 48 -17.408 3.235 -15.715 1.00 0.00 N ATOM 0 H ARG A 48 -14.732 -1.001 -10.444 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.593 0.461 -13.012 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.926 1.166 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.964 2.139 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.127 -0.659 -11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -18.048 0.831 -11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.438 -0.197 -13.865 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.185 -0.159 -13.735 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.188 2.498 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -17.560 0.023 -15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.653 1.197 -17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.303 3.998 -15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.508 3.439 -16.709 1.00 0.00 H new ATOM 788 N TYR A 49 -12.229 0.727 -11.573 1.00 0.00 N ATOM 789 CA TYR A 49 -11.008 1.384 -11.129 1.00 0.00 C ATOM 790 C TYR A 49 -10.072 1.654 -12.302 1.00 0.00 C ATOM 791 O TYR A 49 -9.332 0.768 -12.732 1.00 0.00 O ATOM 792 CB TYR A 49 -10.297 0.510 -10.098 1.00 0.00 C ATOM 793 CG TYR A 49 -9.614 1.297 -9.011 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.456 2.016 -9.269 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.132 1.323 -7.727 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.831 2.740 -8.273 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.518 2.044 -6.725 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.366 2.752 -7.001 1.00 0.00 C ATOM 799 OH TYR A 49 -7.750 3.474 -6.005 1.00 0.00 O ATOM 0 H TYR A 49 -12.082 -0.187 -12.001 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.280 2.339 -10.679 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.022 -0.166 -9.645 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.558 -0.109 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.037 2.009 -10.264 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.032 0.769 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.929 3.294 -8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.936 2.055 -5.729 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.422 3.783 -5.362 1.00 0.00 H new ATOM 809 N ASN A 50 -10.110 2.876 -12.823 1.00 0.00 N ATOM 810 CA ASN A 50 -9.257 3.255 -13.943 1.00 0.00 C ATOM 811 C ASN A 50 -7.867 3.660 -13.455 1.00 0.00 C ATOM 812 O ASN A 50 -6.894 2.933 -13.651 1.00 0.00 O ATOM 813 CB ASN A 50 -9.890 4.403 -14.733 1.00 0.00 C ATOM 814 CG ASN A 50 -11.125 3.975 -15.506 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.866 3.013 -14.966 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -11.412 4.506 -16.578 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.722 3.620 -12.488 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.155 2.390 -14.598 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.157 5.206 -14.046 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.155 4.809 -15.428 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.816 5.241 -16.958 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.246 4.211 -17.086 1.00 0.00 H new ATOM 823 N GLY A 51 -7.785 4.825 -12.818 1.00 0.00 N ATOM 824 CA GLY A 51 -6.512 5.308 -12.309 1.00 0.00 C ATOM 825 C GLY A 51 -6.681 6.232 -11.119 1.00 0.00 C ATOM 826 O GLY A 51 -7.784 6.709 -10.850 1.00 0.00 O ATOM 0 H GLY A 51 -8.577 5.444 -12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.892 4.459 -12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.982 5.835 -13.103 1.00 0.00 H new ATOM 830 N ALA A 52 -5.589 6.486 -10.402 1.00 0.00 N ATOM 831 CA ALA A 52 -5.634 7.358 -9.233 1.00 0.00 C ATOM 832 C ALA A 52 -4.250 7.895 -8.880 1.00 0.00 C ATOM 833 O ALA A 52 -3.233 7.331 -9.283 1.00 0.00 O ATOM 834 CB ALA A 52 -6.222 6.608 -8.050 1.00 0.00 C ATOM 0 H ALA A 52 -4.667 6.102 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.269 8.211 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.252 7.265 -7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.233 6.281 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.603 5.739 -7.826 1.00 0.00 H new ATOM 840 N TYR A 53 -4.221 8.991 -8.125 1.00 0.00 N ATOM 841 CA TYR A 53 -2.964 9.601 -7.709 1.00 0.00 C ATOM 842 C TYR A 53 -2.498 9.034 -6.373 1.00 0.00 C ATOM 843 O TYR A 53 -2.913 9.494 -5.308 1.00 0.00 O ATOM 844 CB TYR A 53 -3.113 11.118 -7.615 1.00 0.00 C ATOM 845 CG TYR A 53 -2.945 11.816 -8.944 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.746 11.732 -9.640 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.980 12.555 -9.501 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.584 12.366 -10.857 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.824 13.192 -10.718 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.624 13.095 -11.391 1.00 0.00 C ATOM 851 OH TYR A 53 -2.467 13.727 -12.604 1.00 0.00 O ATOM 0 H TYR A 53 -5.055 9.474 -7.790 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.210 9.367 -8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.096 11.356 -7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.376 11.506 -6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.928 11.163 -9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.921 12.633 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.646 12.290 -11.387 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.638 13.763 -11.140 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.295 14.196 -12.838 1.00 0.00 H new ATOM 861 N TRP A 54 -1.641 8.026 -6.445 1.00 0.00 N ATOM 862 CA TRP A 54 -1.112 7.369 -5.255 1.00 0.00 C ATOM 863 C TRP A 54 -0.042 8.208 -4.563 1.00 0.00 C ATOM 864 O TRP A 54 1.155 7.984 -4.745 1.00 0.00 O ATOM 865 CB TRP A 54 -0.547 6.001 -5.629 1.00 0.00 C ATOM 866 CG TRP A 54 -1.574 5.102 -6.243 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.031 5.137 -7.529 1.00 0.00 C ATOM 868 CD2 TRP A 54 -2.277 4.041 -5.594 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.981 4.162 -7.716 1.00 0.00 N ATOM 870 CE2 TRP A 54 -3.148 3.476 -6.544 1.00 0.00 C ATOM 871 CE3 TRP A 54 -2.255 3.515 -4.301 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -3.988 2.409 -6.240 1.00 0.00 C ATOM 873 CZ3 TRP A 54 -3.090 2.456 -4.000 1.00 0.00 C ATOM 874 CH2 TRP A 54 -3.945 1.915 -4.966 1.00 0.00 C ATOM 0 H TRP A 54 -1.293 7.641 -7.323 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.935 7.248 -4.550 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.280 6.132 -6.327 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.139 5.525 -4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.695 5.829 -8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.480 3.979 -8.587 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.598 3.928 -3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.649 1.987 -6.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.082 2.040 -3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.586 1.088 -4.699 1.00 0.00 H new ATOM 885 N HIS A 55 -0.489 9.185 -3.781 1.00 0.00 N ATOM 886 CA HIS A 55 0.416 10.051 -3.041 1.00 0.00 C ATOM 887 C HIS A 55 1.381 9.221 -2.209 1.00 0.00 C ATOM 888 O HIS A 55 1.028 8.150 -1.714 1.00 0.00 O ATOM 889 CB HIS A 55 -0.370 10.997 -2.130 1.00 0.00 C ATOM 890 CG HIS A 55 -1.372 11.836 -2.856 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.075 13.071 -3.391 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.679 11.613 -3.133 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.155 13.573 -3.965 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.141 12.707 -3.822 1.00 0.00 N ATOM 0 H HIS A 55 -1.478 9.396 -3.644 1.00 0.00 H new ATOM 0 HA HIS A 55 0.983 10.643 -3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.884 10.410 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.330 11.651 -1.610 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.163 13.527 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.251 10.738 -2.862 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.220 14.528 -4.465 1.00 0.00 H new ATOM 903 N TYR A 56 2.599 9.719 -2.059 1.00 0.00 N ATOM 904 CA TYR A 56 3.613 9.018 -1.286 1.00 0.00 C ATOM 905 C TYR A 56 3.596 9.490 0.161 1.00 0.00 C ATOM 906 O TYR A 56 3.636 10.689 0.435 1.00 0.00 O ATOM 907 CB TYR A 56 4.996 9.223 -1.906 1.00 0.00 C ATOM 908 CG TYR A 56 5.107 8.711 -3.326 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.524 7.504 -3.699 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.789 9.433 -4.295 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.621 7.035 -4.996 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.890 8.972 -5.594 1.00 0.00 C ATOM 913 CZ TYR A 56 5.304 7.773 -5.938 1.00 0.00 C ATOM 914 OH TYR A 56 5.402 7.311 -7.230 1.00 0.00 O ATOM 0 H TYR A 56 2.909 10.604 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 56 3.387 7.952 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.237 10.286 -1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.740 8.720 -1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.987 6.924 -2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.250 10.373 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.164 6.095 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.425 9.548 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 56 4.812 6.537 -7.346 1.00 0.00 H new ATOM 924 N TYR A 57 3.541 8.537 1.081 1.00 0.00 N ATOM 925 CA TYR A 57 3.506 8.855 2.502 1.00 0.00 C ATOM 926 C TYR A 57 4.757 8.362 3.213 1.00 0.00 C ATOM 927 O TYR A 57 5.257 7.272 2.937 1.00 0.00 O ATOM 928 CB TYR A 57 2.260 8.255 3.153 1.00 0.00 C ATOM 929 CG TYR A 57 1.010 9.068 2.912 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.224 8.860 1.787 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.620 10.051 3.812 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.917 9.609 1.566 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.517 10.803 3.599 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.283 10.579 2.475 1.00 0.00 C ATOM 935 OH TYR A 57 -2.417 11.328 2.258 1.00 0.00 O ATOM 0 H TYR A 57 3.520 7.539 0.870 1.00 0.00 H new ATOM 0 HA TYR A 57 3.470 9.940 2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.108 7.246 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.426 8.167 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.508 8.101 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.217 10.230 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.518 9.435 0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.806 11.564 4.309 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.533 11.966 2.993 1.00 0.00 H new ATOM 945 N ALA A 58 5.256 9.178 4.134 1.00 0.00 N ATOM 946 CA ALA A 58 6.449 8.840 4.895 1.00 0.00 C ATOM 947 C ALA A 58 6.088 8.415 6.311 1.00 0.00 C ATOM 948 O ALA A 58 5.808 9.254 7.169 1.00 0.00 O ATOM 949 CB ALA A 58 7.408 10.021 4.925 1.00 0.00 C ATOM 0 H ALA A 58 4.849 10.083 4.371 1.00 0.00 H new ATOM 0 HA ALA A 58 6.941 8.001 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.296 9.754 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.697 10.281 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.918 10.875 5.392 1.00 0.00 H new ATOM 955 N LEU A 59 6.091 7.110 6.550 1.00 0.00 N ATOM 956 CA LEU A 59 5.765 6.577 7.864 1.00 0.00 C ATOM 957 C LEU A 59 6.919 6.799 8.835 1.00 0.00 C ATOM 958 O LEU A 59 8.088 6.748 8.450 1.00 0.00 O ATOM 959 CB LEU A 59 5.434 5.088 7.760 1.00 0.00 C ATOM 960 CG LEU A 59 3.999 4.768 7.341 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.931 3.403 6.677 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.074 4.819 8.544 1.00 0.00 C ATOM 0 H LEU A 59 6.316 6.402 5.851 1.00 0.00 H new ATOM 0 HA LEU A 59 4.891 7.105 8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.116 4.630 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.626 4.621 8.726 1.00 0.00 H new ATOM 0 HG LEU A 59 3.673 5.518 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.902 3.191 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.568 3.397 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.274 2.641 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.056 4.589 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.399 4.088 9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.102 5.817 8.982 1.00 0.00 H new ATOM 974 N SER A 60 6.583 7.049 10.095 1.00 0.00 N ATOM 975 CA SER A 60 7.590 7.294 11.123 1.00 0.00 C ATOM 976 C SER A 60 8.351 6.019 11.466 1.00 0.00 C ATOM 977 O SER A 60 9.493 6.071 11.920 1.00 0.00 O ATOM 978 CB SER A 60 6.932 7.861 12.383 1.00 0.00 C ATOM 979 OG SER A 60 6.270 9.084 12.108 1.00 0.00 O ATOM 0 H SER A 60 5.621 7.088 10.431 1.00 0.00 H new ATOM 0 HA SER A 60 8.301 8.020 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.218 7.139 12.780 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.688 8.018 13.152 1.00 0.00 H new ATOM 0 HG SER A 60 5.471 8.909 11.569 1.00 0.00 H new ATOM 985 N ASP A 61 7.713 4.875 11.244 1.00 0.00 N ATOM 986 CA ASP A 61 8.328 3.589 11.538 1.00 0.00 C ATOM 987 C ASP A 61 7.750 2.495 10.652 1.00 0.00 C ATOM 988 O ASP A 61 7.937 1.309 10.913 1.00 0.00 O ATOM 989 CB ASP A 61 8.117 3.228 13.008 1.00 0.00 C ATOM 990 CG ASP A 61 8.970 4.065 13.942 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.499 5.138 14.375 1.00 0.00 O ATOM 992 OD2 ASP A 61 10.108 3.647 14.241 1.00 0.00 O ATOM 0 H ASP A 61 6.770 4.814 10.861 1.00 0.00 H new ATOM 0 HA ASP A 61 9.396 3.670 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.066 3.362 13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.350 2.173 13.156 1.00 0.00 H new ATOM 997 N GLY A 62 7.051 2.905 9.600 1.00 0.00 N ATOM 998 CA GLY A 62 6.448 1.951 8.688 1.00 0.00 C ATOM 999 C GLY A 62 7.017 2.049 7.290 1.00 0.00 C ATOM 1000 O GLY A 62 6.477 1.468 6.349 1.00 0.00 O ATOM 0 H GLY A 62 6.891 3.884 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.601 0.941 9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.372 2.118 8.652 1.00 0.00 H new ATOM 1004 N GLY A 63 8.112 2.787 7.156 1.00 0.00 N ATOM 1005 CA GLY A 63 8.740 2.951 5.861 1.00 0.00 C ATOM 1006 C GLY A 63 8.009 3.954 4.996 1.00 0.00 C ATOM 1007 O GLY A 63 8.393 5.123 4.935 1.00 0.00 O ATOM 0 H GLY A 63 8.576 3.275 7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.772 3.275 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.773 1.989 5.350 1.00 0.00 H new ATOM 1011 N PHE A 64 6.950 3.499 4.330 1.00 0.00 N ATOM 1012 CA PHE A 64 6.162 4.366 3.462 1.00 0.00 C ATOM 1013 C PHE A 64 5.016 3.598 2.814 1.00 0.00 C ATOM 1014 O PHE A 64 5.164 2.432 2.447 1.00 0.00 O ATOM 1015 CB PHE A 64 7.049 4.969 2.370 1.00 0.00 C ATOM 1016 CG PHE A 64 7.611 3.945 1.428 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.693 3.164 1.798 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.051 3.758 0.175 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.208 2.217 0.936 1.00 0.00 C ATOM 1020 CE2 PHE A 64 7.561 2.811 -0.691 1.00 0.00 C ATOM 1021 CZ PHE A 64 8.641 2.041 -0.310 1.00 0.00 C ATOM 0 H PHE A 64 6.619 2.535 4.376 1.00 0.00 H new ATOM 0 HA PHE A 64 5.745 5.164 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.469 5.696 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.870 5.512 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.139 3.297 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.207 4.359 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.053 1.615 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.115 2.673 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.042 1.301 -0.987 1.00 0.00 H new ATOM 1031 N TYR A 65 3.871 4.258 2.680 1.00 0.00 N ATOM 1032 CA TYR A 65 2.705 3.640 2.056 1.00 0.00 C ATOM 1033 C TYR A 65 2.085 4.579 1.018 1.00 0.00 C ATOM 1034 O TYR A 65 2.147 5.802 1.155 1.00 0.00 O ATOM 1035 CB TYR A 65 1.672 3.237 3.117 1.00 0.00 C ATOM 1036 CG TYR A 65 0.590 4.264 3.358 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.774 5.301 4.265 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.618 4.192 2.677 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -0.216 6.239 4.485 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.612 5.127 2.892 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.406 6.148 3.795 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.395 7.081 4.012 1.00 0.00 O ATOM 0 H TYR A 65 3.725 5.217 2.994 1.00 0.00 H new ATOM 0 HA TYR A 65 3.031 2.736 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.205 2.300 2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.190 3.046 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.706 5.375 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.783 3.393 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.059 7.039 5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.546 5.058 2.355 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.265 6.696 3.776 1.00 0.00 H new ATOM 1052 N MET A 66 1.490 3.994 -0.019 1.00 0.00 N ATOM 1053 CA MET A 66 0.867 4.767 -1.096 1.00 0.00 C ATOM 1054 C MET A 66 -0.655 4.750 -0.985 1.00 0.00 C ATOM 1055 O MET A 66 -1.262 3.699 -0.775 1.00 0.00 O ATOM 1056 CB MET A 66 1.281 4.197 -2.455 1.00 0.00 C ATOM 1057 CG MET A 66 2.780 4.242 -2.707 1.00 0.00 C ATOM 1058 SD MET A 66 3.292 3.136 -4.038 1.00 0.00 S ATOM 1059 CE MET A 66 2.241 3.693 -5.378 1.00 0.00 C ATOM 0 H MET A 66 1.425 2.983 -0.138 1.00 0.00 H new ATOM 0 HA MET A 66 1.208 5.798 -1.006 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.941 3.164 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.772 4.753 -3.242 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.073 5.262 -2.954 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.307 3.972 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.457 3.113 -6.275 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.196 3.557 -5.101 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.430 4.748 -5.574 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.264 5.923 -1.128 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.715 6.047 -1.060 1.00 0.00 C ATOM 1071 C ALA A 67 -3.253 6.827 -2.257 1.00 0.00 C ATOM 1072 O ALA A 67 -2.753 7.907 -2.574 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.130 6.721 0.237 1.00 0.00 C ATOM 0 H ALA A 67 -0.774 6.802 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.141 5.044 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.216 6.806 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.785 6.126 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.687 7.715 0.288 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.283 6.293 -2.939 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.883 6.954 -4.101 1.00 0.00 C ATOM 1081 C PRO A 68 -5.608 8.235 -3.710 1.00 0.00 C ATOM 1082 O PRO A 68 -5.961 8.427 -2.547 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.868 5.914 -4.639 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.193 5.055 -3.466 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.943 5.013 -2.630 1.00 0.00 C ATOM 0 HA PRO A 68 -4.137 7.258 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.763 6.388 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.425 5.330 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.029 5.466 -2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.485 4.054 -3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.173 4.925 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.313 4.163 -2.891 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.823 9.112 -4.683 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.496 10.378 -4.431 1.00 0.00 C ATOM 1095 C ASP A 69 -7.962 10.329 -4.859 1.00 0.00 C ATOM 1096 O ASP A 69 -8.305 10.741 -5.967 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.777 11.506 -5.171 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.333 12.873 -4.827 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.987 13.403 -3.750 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.117 13.416 -5.635 1.00 0.00 O ATOM 0 H ASP A 69 -5.541 8.969 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.465 10.566 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.715 11.477 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.861 11.343 -6.245 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.823 9.820 -3.980 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.251 9.730 -4.273 1.00 0.00 C ATOM 1107 C LEU A 70 -11.081 10.123 -3.056 1.00 0.00 C ATOM 1108 O LEU A 70 -11.111 9.406 -2.055 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.640 8.315 -4.721 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.202 7.912 -6.133 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.513 9.016 -7.134 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -8.724 7.559 -6.157 1.00 0.00 C ATOM 0 H LEU A 70 -8.557 9.465 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.458 10.424 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.216 7.602 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.724 8.221 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.767 7.026 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.193 8.706 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.586 9.208 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.983 9.925 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.434 7.276 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.139 8.422 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.538 6.726 -5.480 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.751 11.265 -3.149 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.585 11.752 -2.056 1.00 0.00 C ATOM 1126 C ALA A 71 -14.011 11.225 -2.186 1.00 0.00 C ATOM 1127 O ALA A 71 -14.733 11.588 -3.115 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.580 13.272 -2.024 1.00 0.00 C ATOM 0 H ALA A 71 -11.734 11.871 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.171 11.382 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.207 13.621 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.561 13.630 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.969 13.657 -2.967 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.410 10.368 -1.251 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.747 9.804 -1.285 1.00 0.00 C ATOM 1136 C GLY A 72 -15.774 8.341 -0.883 1.00 0.00 C ATOM 1137 O GLY A 72 -14.884 7.866 -0.178 1.00 0.00 O ATOM 0 H GLY A 72 -13.832 10.054 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.394 10.372 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.156 9.908 -2.290 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.801 7.626 -1.333 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.953 6.212 -1.022 1.00 0.00 C ATOM 1143 C ARG A 73 -16.638 5.355 -2.241 1.00 0.00 C ATOM 1144 O ARG A 73 -17.370 5.365 -3.230 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.376 5.929 -0.537 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.781 6.751 0.676 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.234 6.513 1.054 1.00 0.00 C ATOM 1148 NE ARG A 73 -20.633 7.295 2.222 1.00 0.00 N ATOM 1149 CZ ARG A 73 -21.809 7.169 2.829 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -22.700 6.294 2.380 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -22.095 7.918 3.884 1.00 0.00 N ATOM 0 H ARG A 73 -17.544 8.008 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.249 5.958 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.074 6.128 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.464 4.870 -0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.139 6.497 1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.628 7.810 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.874 6.770 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.386 5.453 1.259 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.971 7.977 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.483 5.717 1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.602 6.199 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.413 8.592 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.998 7.821 4.349 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.538 4.616 -2.160 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.111 3.749 -3.253 1.00 0.00 C ATOM 1167 C LEU A 74 -15.523 2.303 -2.999 1.00 0.00 C ATOM 1168 O LEU A 74 -15.311 1.772 -1.911 1.00 0.00 O ATOM 1169 CB LEU A 74 -13.592 3.822 -3.425 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.030 5.218 -3.695 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -11.510 5.187 -3.672 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.535 5.751 -5.027 1.00 0.00 C ATOM 0 H LEU A 74 -14.923 4.600 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.598 4.096 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.122 3.427 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.304 3.167 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.375 5.889 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.123 6.187 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.168 4.848 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.148 4.503 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.124 6.745 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.220 5.083 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.623 5.807 -5.007 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.108 1.670 -4.010 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.538 0.282 -3.893 1.00 0.00 C ATOM 1186 C GLU A 75 -15.385 -0.668 -4.210 1.00 0.00 C ATOM 1187 O GLU A 75 -15.145 -1.007 -5.368 1.00 0.00 O ATOM 1188 CB GLU A 75 -17.723 0.009 -4.825 1.00 0.00 C ATOM 1189 CG GLU A 75 -17.482 0.440 -6.264 1.00 0.00 C ATOM 1190 CD GLU A 75 -18.671 0.160 -7.163 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -18.829 -1.000 -7.595 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.444 1.104 -7.434 1.00 0.00 O ATOM 0 H GLU A 75 -16.295 2.095 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 75 -16.855 0.108 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -17.949 -1.057 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.602 0.528 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.257 1.506 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.606 -0.079 -6.653 1.00 0.00 H new ATOM 1199 N ILE A 76 -14.667 -1.086 -3.172 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.536 -1.990 -3.342 1.00 0.00 C ATOM 1201 C ILE A 76 -13.851 -3.381 -2.799 1.00 0.00 C ATOM 1202 O ILE A 76 -13.892 -3.597 -1.587 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.266 -1.435 -2.659 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -11.583 -0.408 -3.570 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.304 -2.562 -2.305 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -10.828 -1.023 -4.730 1.00 0.00 C ATOM 0 H ILE A 76 -14.848 -0.813 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.348 -2.069 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.560 -0.941 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.337 0.275 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.892 0.188 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.418 -2.147 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.793 -3.257 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.012 -3.089 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.373 -0.233 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.049 -1.683 -4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.518 -1.596 -5.350 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.092 -4.316 -3.711 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.396 -5.693 -3.338 1.00 0.00 C ATOM 1220 C GLU A 77 -13.160 -6.577 -3.467 1.00 0.00 C ATOM 1221 O GLU A 77 -12.754 -6.947 -4.569 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.538 -6.242 -4.198 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.343 -6.026 -5.690 1.00 0.00 C ATOM 1224 CD GLU A 77 -16.496 -6.566 -6.514 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.550 -5.898 -6.570 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.346 -7.658 -7.101 1.00 0.00 O ATOM 0 H GLU A 77 -14.083 -4.145 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.712 -5.700 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.644 -7.310 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.471 -5.769 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.229 -4.960 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.418 -6.509 -6.005 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.567 -6.908 -2.327 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.372 -7.745 -2.293 1.00 0.00 C ATOM 1235 C VAL A 78 -11.699 -9.196 -2.606 1.00 0.00 C ATOM 1236 O VAL A 78 -12.335 -9.878 -1.806 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.673 -7.689 -0.919 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.738 -6.498 -0.843 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.684 -7.650 0.207 1.00 0.00 C ATOM 0 H VAL A 78 -12.895 -6.608 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.702 -7.347 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.082 -8.598 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.255 -6.476 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.979 -6.581 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.307 -5.579 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.162 -7.611 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.313 -6.766 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.305 -8.545 0.169 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.267 -9.666 -3.771 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.513 -11.050 -4.159 1.00 0.00 C ATOM 1251 C ASN A 79 -10.699 -11.993 -3.281 1.00 0.00 C ATOM 1252 O ASN A 79 -11.136 -13.101 -2.968 1.00 0.00 O ATOM 1253 CB ASN A 79 -11.147 -11.268 -5.627 1.00 0.00 C ATOM 1254 CG ASN A 79 -11.582 -10.115 -6.506 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -12.675 -10.125 -7.072 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -10.724 -9.109 -6.620 1.00 0.00 N ATOM 0 H ASN A 79 -10.750 -9.116 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.574 -11.261 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.069 -11.401 -5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.612 -12.188 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.960 -8.300 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.829 -9.144 -6.132 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.509 -11.539 -2.891 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.637 -12.339 -2.051 1.00 0.00 C ATOM 1265 C GLY A 80 -9.358 -12.941 -0.861 1.00 0.00 C ATOM 1266 O GLY A 80 -9.030 -14.043 -0.420 1.00 0.00 O ATOM 0 H GLY A 80 -9.133 -10.625 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.199 -13.139 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.814 -11.719 -1.696 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.345 -12.218 -0.343 1.00 0.00 N ATOM 1271 CA ASN A 81 -11.115 -12.687 0.797 1.00 0.00 C ATOM 1272 C ASN A 81 -12.606 -12.499 0.555 1.00 0.00 C ATOM 1273 O ASN A 81 -13.423 -12.691 1.457 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.688 -11.951 2.064 1.00 0.00 C ATOM 1275 CG ASN A 81 -10.387 -10.488 1.812 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -9.719 -10.132 0.840 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.889 -9.632 2.684 1.00 0.00 N ATOM 0 H ASN A 81 -10.629 -11.304 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.920 -13.752 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.477 -12.033 2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.804 -12.434 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.729 -8.631 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.437 -9.972 3.475 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.952 -12.127 -0.672 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.343 -11.926 -1.032 1.00 0.00 C ATOM 1286 C GLY A 82 -15.053 -10.912 -0.157 1.00 0.00 C ATOM 1287 O GLY A 82 -16.274 -10.972 -0.012 1.00 0.00 O ATOM 0 H GLY A 82 -12.289 -11.960 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.398 -11.600 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.868 -12.879 -0.969 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.307 -9.979 0.432 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.924 -8.968 1.285 1.00 0.00 C ATOM 1293 C PHE A 83 -15.347 -7.747 0.479 1.00 0.00 C ATOM 1294 O PHE A 83 -14.512 -7.006 -0.039 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.978 -8.550 2.413 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.417 -7.296 3.115 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.501 -7.312 3.978 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.754 -6.099 2.900 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.914 -6.158 4.614 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.163 -4.941 3.533 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.245 -4.971 4.391 1.00 0.00 C ATOM 0 H PHE A 83 -13.294 -9.903 0.337 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.816 -9.415 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.907 -9.360 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.979 -8.400 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.029 -8.237 4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.908 -6.071 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.760 -6.184 5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.638 -4.014 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.567 -4.067 4.887 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.654 -7.546 0.380 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.198 -6.408 -0.345 1.00 0.00 C ATOM 1313 C ARG A 84 -17.514 -5.275 0.624 1.00 0.00 C ATOM 1314 O ARG A 84 -18.413 -5.391 1.456 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.457 -6.815 -1.111 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.080 -5.678 -1.903 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.388 -6.103 -2.552 1.00 0.00 C ATOM 1318 NE ARG A 84 -21.348 -6.601 -1.573 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.639 -6.790 -1.832 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -23.124 -6.515 -3.036 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -23.446 -7.253 -0.888 1.00 0.00 N ATOM 0 H ARG A 84 -17.358 -8.158 0.794 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.454 -6.062 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.211 -7.629 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.193 -7.201 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.259 -4.829 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.383 -5.344 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.820 -5.256 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.190 -6.878 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 84 -21.010 -6.817 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.507 -6.158 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -24.114 -6.661 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -23.077 -7.465 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -24.436 -7.397 -1.089 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.770 -4.181 0.510 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.988 -3.051 1.394 1.00 0.00 C ATOM 1337 C GLY A 85 -16.429 -1.754 0.847 1.00 0.00 C ATOM 1338 O GLY A 85 -15.272 -1.693 0.429 1.00 0.00 O ATOM 0 H GLY A 85 -16.024 -4.056 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.058 -2.934 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.529 -3.259 2.360 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.255 -0.712 0.853 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.841 0.597 0.365 1.00 0.00 C ATOM 1344 C GLU A 86 -15.847 1.237 1.327 1.00 0.00 C ATOM 1345 O GLU A 86 -16.129 1.390 2.515 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.058 1.508 0.189 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.146 0.911 -0.688 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.328 1.842 -0.869 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.159 1.933 0.060 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.423 2.481 -1.937 1.00 0.00 O ATOM 0 H GLU A 86 -18.216 -0.750 1.191 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.356 0.464 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.477 1.733 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.733 2.454 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.727 0.668 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.490 -0.025 -0.247 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.682 1.609 0.806 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.643 2.229 1.621 1.00 0.00 C ATOM 1359 C LEU A 87 -13.164 3.531 0.997 1.00 0.00 C ATOM 1360 O LEU A 87 -13.419 3.803 -0.177 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.454 1.279 1.786 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.451 0.439 3.066 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.531 1.332 4.295 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -13.594 -0.563 3.054 1.00 0.00 C ATOM 0 H LEU A 87 -14.434 1.492 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.074 2.444 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.429 0.605 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.536 1.866 1.756 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.513 -0.115 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.528 0.715 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.673 2.004 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.450 1.917 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.573 -1.149 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.543 -0.032 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.486 -1.228 2.197 1.00 0.00 H new ATOM 1376 N SER A 88 -12.467 4.333 1.793 1.00 0.00 N ATOM 1377 CA SER A 88 -11.934 5.601 1.319 1.00 0.00 C ATOM 1378 C SER A 88 -10.594 5.375 0.632 1.00 0.00 C ATOM 1379 O SER A 88 -9.915 4.384 0.898 1.00 0.00 O ATOM 1380 CB SER A 88 -11.771 6.582 2.481 1.00 0.00 C ATOM 1381 OG SER A 88 -10.878 6.076 3.456 1.00 0.00 O ATOM 0 H SER A 88 -12.259 4.126 2.770 1.00 0.00 H new ATOM 0 HA SER A 88 -12.635 6.029 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.401 7.536 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.742 6.774 2.938 1.00 0.00 H new ATOM 0 HG SER A 88 -10.790 6.723 4.187 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.217 6.291 -0.251 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.955 6.179 -0.971 1.00 0.00 C ATOM 1389 C ALA A 89 -7.791 5.969 -0.010 1.00 0.00 C ATOM 1390 O ALA A 89 -6.786 5.352 -0.361 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.721 7.416 -1.822 1.00 0.00 C ATOM 0 H ALA A 89 -10.766 7.118 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.015 5.308 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.775 7.318 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.533 7.521 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.688 8.297 -1.181 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.939 6.479 1.204 1.00 0.00 N ATOM 1398 CA ASP A 90 -6.903 6.353 2.219 1.00 0.00 C ATOM 1399 C ASP A 90 -6.885 4.951 2.821 1.00 0.00 C ATOM 1400 O ASP A 90 -5.864 4.268 2.784 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.119 7.392 3.321 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.007 7.383 4.350 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -4.977 8.050 4.117 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.168 6.712 5.390 1.00 0.00 O ATOM 0 H ASP A 90 -8.769 6.986 1.511 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.939 6.528 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.188 8.383 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.070 7.199 3.817 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.023 4.521 3.364 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.126 3.203 3.989 1.00 0.00 C ATOM 1411 C ALA A 91 -7.994 2.076 2.969 1.00 0.00 C ATOM 1412 O ALA A 91 -7.767 0.923 3.337 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.441 3.076 4.746 1.00 0.00 C ATOM 0 H ALA A 91 -8.886 5.065 3.384 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.297 3.110 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.503 2.089 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.490 3.841 5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.273 3.207 4.054 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.133 2.407 1.690 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.026 1.414 0.629 1.00 0.00 C ATOM 1421 C ALA A 92 -6.596 1.329 0.120 1.00 0.00 C ATOM 1422 O ALA A 92 -6.108 0.250 -0.216 1.00 0.00 O ATOM 1423 CB ALA A 92 -8.978 1.750 -0.509 1.00 0.00 C ATOM 0 H ALA A 92 -8.320 3.355 1.363 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.303 0.442 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.886 0.999 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.002 1.761 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.729 2.731 -0.914 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.929 2.476 0.065 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.555 2.507 -0.388 1.00 0.00 C ATOM 1431 C GLY A 93 -3.658 1.674 0.500 1.00 0.00 C ATOM 1432 O GLY A 93 -2.526 1.358 0.134 1.00 0.00 O ATOM 0 H GLY A 93 -6.316 3.383 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.500 2.137 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.199 3.537 -0.402 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.171 1.317 1.675 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.420 0.508 2.627 1.00 0.00 C ATOM 1438 C ILE A 94 -3.351 -0.941 2.162 1.00 0.00 C ATOM 1439 O ILE A 94 -2.313 -1.594 2.269 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.061 0.535 4.032 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.708 1.894 4.318 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.022 0.204 5.093 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.741 3.057 4.288 1.00 0.00 C ATOM 0 H ILE A 94 -5.106 1.577 1.990 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.419 0.936 2.682 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.845 -0.222 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.495 2.071 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.186 1.858 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.488 0.227 6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.616 -0.790 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.217 0.938 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.278 3.982 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.967 2.906 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.281 3.122 3.302 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.469 -1.431 1.640 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.571 -2.803 1.166 1.00 0.00 C ATOM 1457 C VAL A 95 -3.889 -2.988 -0.188 1.00 0.00 C ATOM 1458 O VAL A 95 -3.425 -4.081 -0.512 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.047 -3.230 1.049 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.161 -4.674 0.586 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.765 -3.029 2.375 1.00 0.00 C ATOM 0 H VAL A 95 -5.327 -0.889 1.534 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.063 -3.430 1.899 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.526 -2.600 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.213 -4.950 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.688 -4.782 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.664 -5.327 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.806 -3.335 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.282 -3.631 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.722 -1.977 2.656 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.821 -1.919 -0.972 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.207 -1.986 -2.294 1.00 0.00 C ATOM 1473 C ALA A 96 -1.685 -2.097 -2.217 1.00 0.00 C ATOM 1474 O ALA A 96 -1.089 -2.974 -2.844 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.606 -0.772 -3.115 1.00 0.00 C ATOM 0 H ALA A 96 -4.181 -0.999 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.573 -2.890 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.143 -0.831 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.690 -0.747 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.272 0.134 -2.610 1.00 0.00 H new ATOM 1481 N THR A 97 -1.058 -1.211 -1.447 1.00 0.00 N ATOM 1482 CA THR A 97 0.393 -1.218 -1.305 1.00 0.00 C ATOM 1483 C THR A 97 0.861 -2.435 -0.513 1.00 0.00 C ATOM 1484 O THR A 97 1.867 -3.057 -0.854 1.00 0.00 O ATOM 1485 CB THR A 97 0.904 0.065 -0.619 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.322 -0.010 -0.431 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.222 0.280 0.724 1.00 0.00 C ATOM 0 H THR A 97 -1.532 -0.482 -0.914 1.00 0.00 H new ATOM 0 HA THR A 97 0.808 -1.263 -2.312 1.00 0.00 H new ATOM 0 HB THR A 97 0.665 0.909 -1.266 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.638 0.809 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.603 1.192 1.184 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.854 0.371 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.428 -0.568 1.377 1.00 0.00 H new ATOM 1495 N LEU A 98 0.128 -2.766 0.546 1.00 0.00 N ATOM 1496 CA LEU A 98 0.469 -3.917 1.380 1.00 0.00 C ATOM 1497 C LEU A 98 0.546 -5.203 0.556 1.00 0.00 C ATOM 1498 O LEU A 98 1.529 -5.939 0.634 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.548 -4.085 2.510 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.310 -3.204 3.739 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.447 -3.363 4.736 1.00 0.00 C ATOM 1502 CD2 LEU A 98 1.023 -3.544 4.389 1.00 0.00 C ATOM 0 H LEU A 98 -0.703 -2.257 0.847 1.00 0.00 H new ATOM 0 HA LEU A 98 1.453 -3.728 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.542 -3.871 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.547 -5.128 2.825 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.279 -2.163 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.261 -2.730 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.386 -3.070 4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.510 -4.404 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.175 -2.908 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.021 -4.589 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.829 -3.379 3.674 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.495 -5.470 -0.232 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.537 -6.672 -1.060 1.00 0.00 C ATOM 1516 C PHE A 99 0.654 -6.733 -2.012 1.00 0.00 C ATOM 1517 O PHE A 99 1.132 -7.816 -2.353 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.845 -6.728 -1.852 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.918 -7.539 -1.182 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.670 -7.005 -0.149 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.171 -8.840 -1.587 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.655 -7.752 0.468 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.154 -9.592 -0.974 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.898 -9.048 0.054 1.00 0.00 C ATOM 0 H PHE A 99 -1.317 -4.872 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.484 -7.535 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.211 -5.713 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.646 -7.148 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.484 -5.993 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.593 -9.271 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.234 -7.324 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.341 -10.605 -1.299 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.668 -9.634 0.534 1.00 0.00 H new ATOM 1534 N ALA A 100 1.129 -5.568 -2.438 1.00 0.00 N ATOM 1535 CA ALA A 100 2.265 -5.493 -3.349 1.00 0.00 C ATOM 1536 C ALA A 100 3.539 -6.003 -2.680 1.00 0.00 C ATOM 1537 O ALA A 100 4.337 -6.709 -3.298 1.00 0.00 O ATOM 1538 CB ALA A 100 2.455 -4.066 -3.837 1.00 0.00 C ATOM 0 H ALA A 100 0.745 -4.663 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 100 2.056 -6.133 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.306 -4.024 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.557 -3.738 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.638 -3.411 -2.985 1.00 0.00 H new ATOM 1544 N LEU A 101 3.724 -5.635 -1.416 1.00 0.00 N ATOM 1545 CA LEU A 101 4.900 -6.051 -0.655 1.00 0.00 C ATOM 1546 C LEU A 101 5.026 -7.571 -0.611 1.00 0.00 C ATOM 1547 O LEU A 101 6.123 -8.117 -0.740 1.00 0.00 O ATOM 1548 CB LEU A 101 4.827 -5.502 0.774 1.00 0.00 C ATOM 1549 CG LEU A 101 4.736 -3.977 0.887 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.619 -3.563 2.346 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.945 -3.319 0.239 1.00 0.00 C ATOM 0 H LEU A 101 3.073 -5.048 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 101 5.779 -5.648 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.960 -5.939 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.709 -5.838 1.320 1.00 0.00 H new ATOM 0 HG LEU A 101 3.843 -3.643 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.555 -2.477 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.722 -4.006 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.496 -3.909 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.862 -2.236 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.854 -3.656 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.987 -3.593 -0.815 1.00 0.00 H new ATOM 1563 N GLY A 102 3.898 -8.249 -0.430 1.00 0.00 N ATOM 1564 CA GLY A 102 3.900 -9.701 -0.355 1.00 0.00 C ATOM 1565 C GLY A 102 4.310 -10.376 -1.652 1.00 0.00 C ATOM 1566 O GLY A 102 4.883 -11.466 -1.631 1.00 0.00 O ATOM 0 H GLY A 102 2.978 -7.818 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.579 -10.015 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.904 -10.043 -0.076 1.00 0.00 H new ATOM 1570 N GLN A 103 4.021 -9.737 -2.782 1.00 0.00 N ATOM 1571 CA GLN A 103 4.359 -10.307 -4.084 1.00 0.00 C ATOM 1572 C GLN A 103 5.840 -10.128 -4.407 1.00 0.00 C ATOM 1573 O GLN A 103 6.515 -11.078 -4.805 1.00 0.00 O ATOM 1574 CB GLN A 103 3.511 -9.667 -5.184 1.00 0.00 C ATOM 1575 CG GLN A 103 3.560 -10.422 -6.502 1.00 0.00 C ATOM 1576 CD GLN A 103 3.055 -9.599 -7.672 1.00 0.00 C ATOM 1577 OE1 GLN A 103 3.830 -8.933 -8.357 1.00 0.00 O ATOM 1578 NE2 GLN A 103 1.748 -9.639 -7.905 1.00 0.00 N ATOM 0 H GLN A 103 3.556 -8.830 -2.824 1.00 0.00 H new ATOM 0 HA GLN A 103 4.146 -11.375 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.476 -9.608 -4.846 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.852 -8.645 -5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.586 -10.733 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.962 -11.330 -6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.141 -10.205 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.351 -9.104 -8.677 1.00 0.00 H new ATOM 1587 N LEU A 104 6.341 -8.909 -4.235 1.00 0.00 N ATOM 1588 CA LEU A 104 7.742 -8.608 -4.521 1.00 0.00 C ATOM 1589 C LEU A 104 8.679 -9.453 -3.666 1.00 0.00 C ATOM 1590 O LEU A 104 9.709 -9.929 -4.145 1.00 0.00 O ATOM 1591 CB LEU A 104 8.029 -7.123 -4.291 1.00 0.00 C ATOM 1592 CG LEU A 104 7.383 -6.174 -5.301 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.657 -4.727 -4.923 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.887 -6.463 -6.707 1.00 0.00 C ATOM 0 H LEU A 104 5.799 -8.113 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 104 7.923 -8.851 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.687 -6.853 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.108 -6.970 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 104 6.305 -6.337 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.190 -4.066 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.245 -4.525 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.733 -4.552 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.415 -5.777 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.968 -6.330 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.639 -7.489 -6.979 1.00 0.00 H new ATOM 1606 N ALA A 105 8.322 -9.635 -2.400 1.00 0.00 N ATOM 1607 CA ALA A 105 9.138 -10.418 -1.481 1.00 0.00 C ATOM 1608 C ALA A 105 9.262 -11.867 -1.944 1.00 0.00 C ATOM 1609 O ALA A 105 10.301 -12.500 -1.760 1.00 0.00 O ATOM 1610 CB ALA A 105 8.547 -10.364 -0.080 1.00 0.00 C ATOM 0 H ALA A 105 7.472 -9.251 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 105 10.138 -9.984 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.165 -10.952 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.516 -9.330 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.536 -10.771 -0.096 1.00 0.00 H new ATOM 1616 N ALA A 106 8.196 -12.385 -2.546 1.00 0.00 N ATOM 1617 CA ALA A 106 8.180 -13.761 -3.027 1.00 0.00 C ATOM 1618 C ALA A 106 8.625 -13.860 -4.483 1.00 0.00 C ATOM 1619 O ALA A 106 8.834 -14.957 -5.001 1.00 0.00 O ATOM 1620 CB ALA A 106 6.789 -14.352 -2.866 1.00 0.00 C ATOM 0 H ALA A 106 7.331 -11.871 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 106 8.890 -14.329 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.786 -15.380 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.507 -14.337 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.075 -13.763 -3.441 1.00 0.00 H new ATOM 1626 N GLU A 107 8.770 -12.715 -5.142 1.00 0.00 N ATOM 1627 CA GLU A 107 9.183 -12.686 -6.538 1.00 0.00 C ATOM 1628 C GLU A 107 10.702 -12.620 -6.670 1.00 0.00 C ATOM 1629 O GLU A 107 11.291 -13.301 -7.508 1.00 0.00 O ATOM 1630 CB GLU A 107 8.547 -11.489 -7.245 1.00 0.00 C ATOM 1631 CG GLU A 107 7.155 -11.769 -7.787 1.00 0.00 C ATOM 1632 CD GLU A 107 7.156 -12.829 -8.872 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.340 -12.468 -10.054 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.973 -14.019 -8.540 1.00 0.00 O ATOM 0 H GLU A 107 8.607 -11.796 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 107 8.844 -13.610 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.495 -10.652 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.192 -11.179 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.509 -12.090 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.731 -10.847 -8.185 1.00 0.00 H new ATOM 1750 N LEU A 117 12.649 -6.396 2.696 1.00 0.00 N ATOM 1751 CA LEU A 117 11.520 -5.558 2.309 1.00 0.00 C ATOM 1752 C LEU A 117 10.287 -5.930 3.122 1.00 0.00 C ATOM 1753 O LEU A 117 9.321 -5.169 3.193 1.00 0.00 O ATOM 1754 CB LEU A 117 11.242 -5.675 0.797 1.00 0.00 C ATOM 1755 CG LEU A 117 10.477 -6.924 0.322 1.00 0.00 C ATOM 1756 CD1 LEU A 117 11.016 -8.186 0.979 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.985 -6.778 0.581 1.00 0.00 C ATOM 0 HA LEU A 117 11.771 -4.518 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.679 -4.795 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.197 -5.643 0.273 1.00 0.00 H new ATOM 0 HG LEU A 117 10.630 -7.016 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.455 -9.050 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.069 -8.307 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.911 -8.106 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.467 -7.673 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.812 -6.647 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.606 -5.909 0.043 1.00 0.00 H new ATOM 1769 N ILE A 118 10.332 -7.109 3.735 1.00 0.00 N ATOM 1770 CA ILE A 118 9.227 -7.591 4.550 1.00 0.00 C ATOM 1771 C ILE A 118 9.016 -6.678 5.750 1.00 0.00 C ATOM 1772 O ILE A 118 7.893 -6.500 6.223 1.00 0.00 O ATOM 1773 CB ILE A 118 9.479 -9.037 5.031 1.00 0.00 C ATOM 1774 CG1 ILE A 118 9.265 -10.025 3.881 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.578 -9.381 6.209 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.855 -10.023 3.326 1.00 0.00 C ATOM 0 H ILE A 118 11.125 -7.748 3.681 1.00 0.00 H new ATOM 0 HA ILE A 118 8.329 -7.585 3.932 1.00 0.00 H new ATOM 0 HB ILE A 118 10.514 -9.112 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.962 -9.789 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.507 -11.030 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.774 -10.404 6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.780 -8.697 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.534 -9.288 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.782 -10.748 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.153 -10.290 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.615 -9.030 2.947 1.00 0.00 H new ATOM 1788 N ASP A 119 10.110 -6.100 6.233 1.00 0.00 N ATOM 1789 CA ASP A 119 10.060 -5.193 7.371 1.00 0.00 C ATOM 1790 C ASP A 119 9.035 -4.090 7.140 1.00 0.00 C ATOM 1791 O ASP A 119 8.260 -3.751 8.033 1.00 0.00 O ATOM 1792 CB ASP A 119 11.436 -4.575 7.608 1.00 0.00 C ATOM 1793 CG ASP A 119 12.175 -5.223 8.762 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.826 -6.265 8.541 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.102 -4.688 9.889 1.00 0.00 O ATOM 0 H ASP A 119 11.045 -6.245 5.852 1.00 0.00 H new ATOM 0 HA ASP A 119 9.763 -5.765 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.033 -4.668 6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.322 -3.509 7.807 1.00 0.00 H new ATOM 1800 N ARG A 120 9.038 -3.538 5.931 1.00 0.00 N ATOM 1801 CA ARG A 120 8.115 -2.469 5.573 1.00 0.00 C ATOM 1802 C ARG A 120 6.668 -2.904 5.784 1.00 0.00 C ATOM 1803 O ARG A 120 5.829 -2.110 6.207 1.00 0.00 O ATOM 1804 CB ARG A 120 8.325 -2.045 4.117 1.00 0.00 C ATOM 1805 CG ARG A 120 9.606 -1.256 3.881 1.00 0.00 C ATOM 1806 CD ARG A 120 10.844 -2.119 4.067 1.00 0.00 C ATOM 1807 NE ARG A 120 12.072 -1.389 3.759 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.276 -1.756 4.188 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.414 -2.835 4.947 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.345 -1.044 3.858 1.00 0.00 N ATOM 0 H ARG A 120 9.672 -3.815 5.181 1.00 0.00 H new ATOM 0 HA ARG A 120 8.319 -1.618 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.338 -2.935 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.475 -1.442 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.598 -0.844 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.645 -0.412 4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.884 -2.478 5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.774 -2.997 3.425 1.00 0.00 H new ATOM 0 HE ARG A 120 12.002 -0.551 3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.595 -3.386 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.339 -3.113 5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.244 -0.214 3.274 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.268 -1.327 4.188 1.00 0.00 H new ATOM 1824 N TYR A 121 6.383 -4.167 5.481 1.00 0.00 N ATOM 1825 CA TYR A 121 5.035 -4.699 5.645 1.00 0.00 C ATOM 1826 C TYR A 121 4.681 -4.838 7.123 1.00 0.00 C ATOM 1827 O TYR A 121 3.637 -4.361 7.569 1.00 0.00 O ATOM 1828 CB TYR A 121 4.907 -6.061 4.952 1.00 0.00 C ATOM 1829 CG TYR A 121 3.513 -6.649 5.030 1.00 0.00 C ATOM 1830 CD1 TYR A 121 3.071 -7.293 6.179 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.639 -6.555 3.954 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.799 -7.827 6.255 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.365 -7.087 4.022 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.950 -7.721 5.175 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.318 -8.251 5.246 1.00 0.00 O ATOM 0 H TYR A 121 7.063 -4.837 5.123 1.00 0.00 H new ATOM 0 HA TYR A 121 4.340 -3.998 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.190 -5.955 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.613 -6.758 5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.733 -7.378 7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.960 -6.058 3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.472 -8.325 7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.698 -7.007 3.177 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.788 -8.090 4.401 1.00 0.00 H new ATOM 1845 N HIS A 122 5.558 -5.499 7.871 1.00 0.00 N ATOM 1846 CA HIS A 122 5.346 -5.719 9.301 1.00 0.00 C ATOM 1847 C HIS A 122 5.037 -4.418 10.031 1.00 0.00 C ATOM 1848 O HIS A 122 4.318 -4.417 11.031 1.00 0.00 O ATOM 1849 CB HIS A 122 6.580 -6.375 9.924 1.00 0.00 C ATOM 1850 CG HIS A 122 6.764 -7.813 9.545 1.00 0.00 C ATOM 1851 ND1 HIS A 122 7.837 -8.569 9.968 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.004 -8.637 8.783 1.00 0.00 C ATOM 1853 CE1 HIS A 122 7.730 -9.794 9.484 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.627 -9.860 8.762 1.00 0.00 N ATOM 0 H HIS A 122 6.427 -5.894 7.511 1.00 0.00 H new ATOM 0 HA HIS A 122 4.486 -6.380 9.406 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.466 -5.815 9.625 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.508 -6.302 11.009 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.081 -8.379 8.285 1.00 0.00 H new ATOM 0 HE1 HIS A 122 8.426 -10.603 9.651 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.292 -10.687 8.268 1.00 0.00 H new ATOM 1863 N PHE A 123 5.580 -3.314 9.534 1.00 0.00 N ATOM 1864 CA PHE A 123 5.360 -2.018 10.158 1.00 0.00 C ATOM 1865 C PHE A 123 4.105 -1.349 9.606 1.00 0.00 C ATOM 1866 O PHE A 123 3.249 -0.901 10.370 1.00 0.00 O ATOM 1867 CB PHE A 123 6.579 -1.120 9.953 1.00 0.00 C ATOM 1868 CG PHE A 123 7.841 -1.658 10.572 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.814 -2.278 11.813 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.054 -1.535 9.914 1.00 0.00 C ATOM 1871 CE1 PHE A 123 8.973 -2.768 12.382 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.217 -2.024 10.480 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.176 -2.641 11.716 1.00 0.00 C ATOM 0 H PHE A 123 6.173 -3.291 8.704 1.00 0.00 H new ATOM 0 HA PHE A 123 5.214 -2.175 11.227 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.740 -0.981 8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.369 -0.137 10.374 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.876 -2.378 12.340 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.092 -1.052 8.949 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.939 -3.250 13.348 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.156 -1.924 9.957 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.083 -3.023 12.160 1.00 0.00 H new ATOM 1883 N LEU A 124 4.005 -1.278 8.281 1.00 0.00 N ATOM 1884 CA LEU A 124 2.848 -0.671 7.632 1.00 0.00 C ATOM 1885 C LEU A 124 1.556 -1.241 8.206 1.00 0.00 C ATOM 1886 O LEU A 124 0.694 -0.497 8.672 1.00 0.00 O ATOM 1887 CB LEU A 124 2.905 -0.910 6.121 1.00 0.00 C ATOM 1888 CG LEU A 124 2.127 0.093 5.265 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.486 -0.073 3.796 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.627 -0.066 5.470 1.00 0.00 C ATOM 0 H LEU A 124 4.711 -1.633 7.637 1.00 0.00 H new ATOM 0 HA LEU A 124 2.868 0.403 7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.949 -0.896 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.524 -1.910 5.914 1.00 0.00 H new ATOM 0 HG LEU A 124 2.406 1.099 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.925 0.647 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.554 0.098 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.237 -1.084 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.096 0.658 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.326 -1.075 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.383 0.105 6.518 1.00 0.00 H new ATOM 1902 N ARG A 125 1.422 -2.565 8.149 1.00 0.00 N ATOM 1903 CA ARG A 125 0.243 -3.236 8.687 1.00 0.00 C ATOM 1904 C ARG A 125 -0.083 -2.702 10.078 1.00 0.00 C ATOM 1905 O ARG A 125 -1.248 -2.496 10.418 1.00 0.00 O ATOM 1906 CB ARG A 125 0.462 -4.750 8.747 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.602 -5.482 9.547 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.633 -6.965 9.218 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.579 -7.692 10.062 1.00 0.00 N ATOM 1910 CZ ARG A 125 -2.892 -7.477 10.060 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -3.418 -6.558 9.262 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -3.681 -8.183 10.857 1.00 0.00 N ATOM 0 H ARG A 125 2.114 -3.191 7.737 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.597 -3.032 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.481 -5.147 7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.439 -4.951 9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.412 -5.350 10.612 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.578 -5.043 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.904 -7.099 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.364 -7.386 9.345 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.211 -8.407 10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.815 -6.012 8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.425 -6.397 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.282 -8.892 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.688 -8.018 10.855 1.00 0.00 H new ATOM 1926 N GLY A 126 0.958 -2.481 10.876 1.00 0.00 N ATOM 1927 CA GLY A 126 0.770 -1.964 12.218 1.00 0.00 C ATOM 1928 C GLY A 126 0.134 -0.586 12.226 1.00 0.00 C ATOM 1929 O GLY A 126 -0.638 -0.259 13.128 1.00 0.00 O ATOM 0 H GLY A 126 1.929 -2.651 10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.144 -2.653 12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.734 -1.919 12.725 1.00 0.00 H new ATOM 1933 N PHE A 127 0.460 0.223 11.221 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.086 1.572 11.113 1.00 0.00 C ATOM 1935 C PHE A 127 -1.574 1.531 10.770 1.00 0.00 C ATOM 1936 O PHE A 127 -2.350 2.372 11.225 1.00 0.00 O ATOM 1937 CB PHE A 127 0.681 2.359 10.045 1.00 0.00 C ATOM 1938 CG PHE A 127 0.072 3.692 9.709 1.00 0.00 C ATOM 1939 CD1 PHE A 127 0.265 4.786 10.538 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.690 3.850 8.564 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.290 6.013 10.229 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.249 5.074 8.250 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.049 6.157 9.084 1.00 0.00 C ATOM 0 H PHE A 127 1.100 -0.033 10.469 1.00 0.00 H new ATOM 0 HA PHE A 127 0.027 2.069 12.076 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.704 2.515 10.388 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.738 1.758 9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.856 4.678 11.436 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.849 3.007 7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.131 6.858 10.882 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.841 5.184 7.354 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.485 7.115 8.841 1.00 0.00 H new ATOM 1953 N ALA A 128 -1.963 0.549 9.966 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.353 0.395 9.560 1.00 0.00 C ATOM 1955 C ALA A 128 -4.250 0.115 10.761 1.00 0.00 C ATOM 1956 O ALA A 128 -5.468 0.284 10.690 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.482 -0.720 8.535 1.00 0.00 C ATOM 0 H ALA A 128 -1.332 -0.154 9.582 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.678 1.332 9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.526 -0.824 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.880 -0.480 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.133 -1.656 8.970 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.643 -0.314 11.863 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.390 -0.620 13.077 1.00 0.00 C ATOM 1965 C ALA A 129 -4.783 0.656 13.814 1.00 0.00 C ATOM 1966 O ALA A 129 -5.778 0.684 14.538 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.572 -1.526 13.985 1.00 0.00 C ATOM 0 H ALA A 129 -2.636 -0.457 11.940 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.304 -1.140 12.792 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.142 -1.747 14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.345 -2.456 13.463 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.642 -1.026 14.256 1.00 0.00 H new ATOM 1973 N GLY A 130 -3.993 1.708 13.625 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.276 2.974 14.277 1.00 0.00 C ATOM 1975 C GLY A 130 -5.322 3.781 13.534 1.00 0.00 C ATOM 1976 O GLY A 130 -5.723 4.855 13.984 1.00 0.00 O ATOM 0 H GLY A 130 -3.163 1.707 13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.619 2.788 15.295 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.357 3.555 14.352 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.764 3.261 12.395 1.00 0.00 N ATOM 1981 CA HIS A 131 -6.771 3.932 11.582 1.00 0.00 C ATOM 1982 C HIS A 131 -8.178 3.658 12.110 1.00 0.00 C ATOM 1983 O HIS A 131 -8.427 2.617 12.719 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.661 3.476 10.125 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.814 4.374 9.280 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.180 5.664 8.956 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.613 4.167 8.692 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.242 6.210 8.203 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.281 5.322 8.029 1.00 0.00 N ATOM 0 H HIS A 131 -5.439 2.373 12.012 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.590 5.005 11.638 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.246 2.468 10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.660 3.421 9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.025 3.262 8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.259 7.211 7.799 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.429 5.470 7.489 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.118 4.595 11.883 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.506 4.447 12.335 1.00 0.00 C ATOM 2000 C PRO A 132 -11.231 3.326 11.598 1.00 0.00 C ATOM 2001 O PRO A 132 -12.262 2.833 12.053 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.138 5.802 12.008 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.301 6.356 10.907 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.904 5.867 11.166 1.00 0.00 C ATOM 0 HA PRO A 132 -10.567 4.183 13.391 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.177 5.689 11.697 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.135 6.460 12.877 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.660 6.017 9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.338 7.445 10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.351 5.718 10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.334 6.576 11.766 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.679 2.932 10.455 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.260 1.865 9.650 1.00 0.00 C ATOM 2014 C GLU A 133 -10.385 0.623 9.698 1.00 0.00 C ATOM 2015 O GLU A 133 -10.512 -0.273 8.863 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.441 2.320 8.205 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.635 3.234 8.012 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.402 4.628 8.559 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.711 5.423 7.887 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -12.913 4.927 9.659 1.00 0.00 O ATOM 0 H GLU A 133 -9.828 3.337 10.065 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.238 1.621 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.539 2.837 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.555 1.444 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.868 3.300 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.505 2.797 8.503 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.493 0.588 10.681 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.586 -0.538 10.865 1.00 0.00 C ATOM 2029 C ALA A 134 -9.311 -1.863 10.678 1.00 0.00 C ATOM 2030 O ALA A 134 -8.809 -2.767 10.012 1.00 0.00 O ATOM 2031 CB ALA A 134 -7.946 -0.476 12.244 1.00 0.00 C ATOM 0 H ALA A 134 -9.378 1.333 11.368 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.805 -0.472 10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.271 -1.322 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.386 0.454 12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.723 -0.515 13.008 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.494 -1.972 11.275 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.293 -3.185 11.172 1.00 0.00 C ATOM 2039 C ALA A 135 -11.533 -3.576 9.717 1.00 0.00 C ATOM 2040 O ALA A 135 -11.413 -4.745 9.353 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.618 -3.005 11.897 1.00 0.00 C ATOM 0 H ALA A 135 -10.919 -1.233 11.835 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.735 -3.993 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.206 -3.919 11.813 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.431 -2.790 12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.168 -2.177 11.450 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.878 -2.597 8.888 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.139 -2.854 7.476 1.00 0.00 C ATOM 2049 C ALA A 136 -10.857 -3.192 6.721 1.00 0.00 C ATOM 2050 O ALA A 136 -10.862 -4.022 5.812 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.822 -1.652 6.842 1.00 0.00 C ATOM 0 H ALA A 136 -11.983 -1.622 9.168 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.800 -3.718 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.012 -1.855 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.767 -1.460 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.177 -0.778 6.932 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.762 -2.545 7.103 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.471 -2.757 6.456 1.00 0.00 C ATOM 2059 C ILE A 137 -7.900 -4.156 6.699 1.00 0.00 C ATOM 2060 O ILE A 137 -7.520 -4.845 5.752 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.445 -1.713 6.928 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.908 -0.306 6.544 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.073 -2.009 6.339 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.084 0.796 7.173 1.00 0.00 C ATOM 0 H ILE A 137 -9.742 -1.865 7.863 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.654 -2.651 5.387 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.366 -1.766 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.869 -0.203 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -8.950 -0.182 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.360 -1.260 6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.745 -2.998 6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.131 -1.981 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.470 1.765 6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.143 0.720 8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.045 0.699 6.858 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.837 -4.576 7.961 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.272 -5.881 8.296 1.00 0.00 C ATOM 2078 C TYR A 138 -8.130 -7.023 7.760 1.00 0.00 C ATOM 2079 O TYR A 138 -7.606 -8.061 7.356 1.00 0.00 O ATOM 2080 CB TYR A 138 -7.077 -6.014 9.813 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.225 -6.677 10.541 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.318 -5.939 10.968 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.209 -8.041 10.806 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.367 -6.540 11.639 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.254 -8.650 11.474 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.330 -7.895 11.888 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.373 -8.497 12.555 1.00 0.00 O ATOM 0 H TYR A 138 -8.167 -4.037 8.762 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.297 -5.950 7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.168 -6.585 10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.922 -5.021 10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.351 -4.877 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.366 -8.635 10.485 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.211 -5.951 11.966 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.228 -9.712 11.671 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.192 -9.456 12.648 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.447 -6.840 7.759 1.00 0.00 N ATOM 2098 CA ARG A 139 -10.344 -7.873 7.256 1.00 0.00 C ATOM 2099 C ARG A 139 -10.282 -7.925 5.735 1.00 0.00 C ATOM 2100 O ARG A 139 -10.418 -8.991 5.134 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.781 -7.634 7.729 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.428 -6.384 7.156 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.811 -6.160 7.748 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.429 -4.934 7.251 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.570 -4.439 7.720 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.215 -5.061 8.699 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.068 -3.320 7.212 1.00 0.00 N ATOM 0 H ARG A 139 -9.912 -5.997 8.096 1.00 0.00 H new ATOM 0 HA ARG A 139 -10.018 -8.834 7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.388 -8.499 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.786 -7.566 8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.798 -5.519 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.504 -6.475 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -14.450 -7.010 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.737 -6.113 8.834 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.958 -4.428 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.835 -5.921 9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.090 -4.679 9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.575 -2.838 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.944 -2.941 7.573 1.00 0.00 H new ATOM 2121 N ALA A 140 -10.072 -6.764 5.119 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.972 -6.674 3.667 1.00 0.00 C ATOM 2123 C ALA A 140 -8.763 -7.455 3.166 1.00 0.00 C ATOM 2124 O ALA A 140 -8.767 -7.977 2.051 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.886 -5.221 3.226 1.00 0.00 C ATOM 0 H ALA A 140 -9.968 -5.873 5.604 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.871 -7.112 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.812 -5.174 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.779 -4.688 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -9.005 -4.758 3.670 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.726 -7.524 3.996 1.00 0.00 N ATOM 2132 CA ILE A 141 -6.513 -8.250 3.641 1.00 0.00 C ATOM 2133 C ILE A 141 -6.525 -9.657 4.233 1.00 0.00 C ATOM 2134 O ILE A 141 -5.743 -10.518 3.828 1.00 0.00 O ATOM 2135 CB ILE A 141 -5.247 -7.514 4.124 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -5.214 -7.454 5.652 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -5.192 -6.114 3.531 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.928 -6.884 6.210 1.00 0.00 C ATOM 0 H ILE A 141 -7.702 -7.087 4.917 1.00 0.00 H new ATOM 0 HA ILE A 141 -6.491 -8.312 2.553 1.00 0.00 H new ATOM 0 HB ILE A 141 -4.371 -8.067 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -6.051 -6.849 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.359 -8.459 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -4.293 -5.606 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -5.172 -6.180 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -6.072 -5.551 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.977 -6.873 7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -3.088 -7.501 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.791 -5.867 5.842 1.00 0.00 H new ATOM 2150 N ASP A 142 -7.414 -9.878 5.195 1.00 0.00 N ATOM 2151 CA ASP A 142 -7.532 -11.178 5.848 1.00 0.00 C ATOM 2152 C ASP A 142 -7.939 -12.256 4.849 1.00 0.00 C ATOM 2153 O ASP A 142 -7.036 -12.880 4.252 1.00 0.00 O ATOM 2154 CB ASP A 142 -8.551 -11.108 6.988 1.00 0.00 C ATOM 2155 CG ASP A 142 -8.735 -12.443 7.682 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -7.949 -12.745 8.605 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -9.665 -13.186 7.305 1.00 0.00 O ATOM 2158 OXT ASP A 142 -9.157 -12.469 4.673 1.00 0.00 O ATOM 0 H ASP A 142 -8.065 -9.173 5.541 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.557 -11.441 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -8.227 -10.365 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -9.510 -10.771 6.594 1.00 0.00 H new