USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=25 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 -134:sc= -1.52 (180deg=-5.68!) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= -0.901 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.101 USER MOD Single : A 17 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.2) USER MOD Single : A 24 THR OG1 : rot 104:sc= 1.28 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -179:sc= -0.166 (180deg=-0.168) USER MOD Single : A 32 MET CE :methyl 168:sc= -0.767 (180deg=-1.13) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 95:sc= -1.01 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.181 F(o=-2.2!,f=-0.18) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-5.2!) USER MOD Single : A 56 TYR OH : rot 1:sc= 1.27 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 72:sc= 0.331 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -137:sc= -6.71! (180deg=-9.12!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.218 F(o=-1.8!,f=0.22) USER MOD Single : A 81 ASN : amide:sc= -4.82! C(o=-4.8!,f=-6.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.348 F(o=-2,f=-0.35) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HD1:sc= -1.23 F(o=-2,f=-1.2) USER MOD Single : A 131 HIS : no HD1:sc= -0.873 K(o=-0.87,f=-2.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 1.707 5.152 18.118 1.00 0.00 N ATOM 96 CA PRO A 7 2.941 5.947 18.181 1.00 0.00 C ATOM 97 C PRO A 7 3.605 6.124 16.825 1.00 0.00 C ATOM 98 O PRO A 7 4.636 6.787 16.704 1.00 0.00 O ATOM 99 CB PRO A 7 3.848 5.145 19.120 1.00 0.00 C ATOM 100 CG PRO A 7 2.921 4.278 19.901 1.00 0.00 C ATOM 101 CD PRO A 7 1.783 3.957 18.976 1.00 0.00 C ATOM 0 HA PRO A 7 2.739 6.961 18.525 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.568 4.549 18.560 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.419 5.803 19.775 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.423 3.369 20.233 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.566 4.791 20.795 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.977 3.055 18.396 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.854 3.792 19.521 1.00 0.00 H new ATOM 109 N VAL A 8 3.007 5.528 15.813 1.00 0.00 N ATOM 110 CA VAL A 8 3.518 5.613 14.450 1.00 0.00 C ATOM 111 C VAL A 8 2.469 6.214 13.520 1.00 0.00 C ATOM 112 O VAL A 8 1.302 5.825 13.557 1.00 0.00 O ATOM 113 CB VAL A 8 3.925 4.225 13.914 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.419 4.324 12.479 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.981 3.593 14.807 1.00 0.00 C ATOM 0 H VAL A 8 2.157 4.972 15.906 1.00 0.00 H new ATOM 0 HA VAL A 8 4.399 6.255 14.476 1.00 0.00 H new ATOM 0 HB VAL A 8 3.043 3.584 13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.700 3.333 12.122 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.626 4.725 11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.285 4.984 12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.254 2.615 14.411 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.863 4.232 14.835 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.584 3.478 15.815 1.00 0.00 H new ATOM 125 N THR A 9 2.888 7.158 12.685 1.00 0.00 N ATOM 126 CA THR A 9 1.976 7.810 11.752 1.00 0.00 C ATOM 127 C THR A 9 2.696 8.221 10.475 1.00 0.00 C ATOM 128 O THR A 9 3.843 8.667 10.513 1.00 0.00 O ATOM 129 CB THR A 9 1.322 9.058 12.375 1.00 0.00 C ATOM 130 OG1 THR A 9 2.331 9.949 12.865 1.00 0.00 O ATOM 131 CG2 THR A 9 0.380 8.675 13.509 1.00 0.00 C ATOM 0 H THR A 9 3.852 7.489 12.635 1.00 0.00 H new ATOM 0 HA THR A 9 1.201 7.081 11.516 1.00 0.00 H new ATOM 0 HB THR A 9 0.742 9.558 11.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.906 10.740 13.258 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.067 9.575 13.930 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.406 8.025 13.125 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.938 8.151 14.284 1.00 0.00 H new ATOM 139 N ALA A 10 2.016 8.067 9.344 1.00 0.00 N ATOM 140 CA ALA A 10 2.589 8.428 8.056 1.00 0.00 C ATOM 141 C ALA A 10 2.488 9.930 7.820 1.00 0.00 C ATOM 142 O ALA A 10 1.995 10.669 8.672 1.00 0.00 O ATOM 143 CB ALA A 10 1.897 7.666 6.936 1.00 0.00 C ATOM 0 H ALA A 10 1.068 7.695 9.295 1.00 0.00 H new ATOM 0 HA ALA A 10 3.644 8.155 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.337 7.947 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.023 6.595 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.835 7.910 6.933 1.00 0.00 H new ATOM 149 N SER A 11 2.958 10.374 6.660 1.00 0.00 N ATOM 150 CA SER A 11 2.920 11.794 6.317 1.00 0.00 C ATOM 151 C SER A 11 3.008 11.998 4.809 1.00 0.00 C ATOM 152 O SER A 11 3.408 11.097 4.075 1.00 0.00 O ATOM 153 CB SER A 11 4.061 12.537 7.014 1.00 0.00 C ATOM 154 OG SER A 11 4.027 13.921 6.711 1.00 0.00 O ATOM 0 H SER A 11 3.368 9.776 5.943 1.00 0.00 H new ATOM 0 HA SER A 11 1.968 12.198 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.987 12.395 8.092 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.017 12.116 6.703 1.00 0.00 H new ATOM 0 HG SER A 11 4.765 14.374 7.169 1.00 0.00 H new ATOM 160 N LEU A 12 2.632 13.187 4.354 1.00 0.00 N ATOM 161 CA LEU A 12 2.670 13.505 2.932 1.00 0.00 C ATOM 162 C LEU A 12 3.950 14.255 2.573 1.00 0.00 C ATOM 163 O LEU A 12 4.252 15.301 3.148 1.00 0.00 O ATOM 164 CB LEU A 12 1.450 14.342 2.547 1.00 0.00 C ATOM 165 CG LEU A 12 1.228 14.507 1.044 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.993 13.152 0.393 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.058 15.439 0.780 1.00 0.00 C ATOM 0 H LEU A 12 2.298 13.946 4.948 1.00 0.00 H new ATOM 0 HA LEU A 12 2.653 12.568 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.562 13.884 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.550 15.331 2.995 1.00 0.00 H new ATOM 0 HG LEU A 12 2.123 14.949 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.836 13.285 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.862 12.514 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.112 12.685 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.087 15.546 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.845 15.025 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.265 16.416 1.217 1.00 0.00 H new ATOM 179 N VAL A 13 4.695 13.712 1.615 1.00 0.00 N ATOM 180 CA VAL A 13 5.942 14.326 1.172 1.00 0.00 C ATOM 181 C VAL A 13 5.687 15.365 0.084 1.00 0.00 C ATOM 182 O VAL A 13 4.715 15.264 -0.667 1.00 0.00 O ATOM 183 CB VAL A 13 6.926 13.266 0.637 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.264 13.902 0.284 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.112 12.150 1.653 1.00 0.00 C ATOM 0 H VAL A 13 4.456 12.847 1.130 1.00 0.00 H new ATOM 0 HA VAL A 13 6.383 14.816 2.040 1.00 0.00 H new ATOM 0 HB VAL A 13 6.505 12.836 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.943 13.136 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.115 14.662 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.693 14.363 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.810 11.411 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.508 12.564 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.152 11.673 1.850 1.00 0.00 H new ATOM 195 N ALA A 14 6.564 16.364 0.007 1.00 0.00 N ATOM 196 CA ALA A 14 6.438 17.422 -0.990 1.00 0.00 C ATOM 197 C ALA A 14 6.299 16.838 -2.393 1.00 0.00 C ATOM 198 O ALA A 14 6.738 15.720 -2.654 1.00 0.00 O ATOM 199 CB ALA A 14 7.636 18.358 -0.922 1.00 0.00 C ATOM 0 H ALA A 14 7.370 16.462 0.624 1.00 0.00 H new ATOM 0 HA ALA A 14 5.535 17.991 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.528 19.142 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.690 18.808 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.549 17.795 -1.115 1.00 0.00 H new ATOM 205 N GLU A 15 5.689 17.604 -3.291 1.00 0.00 N ATOM 206 CA GLU A 15 5.485 17.159 -4.666 1.00 0.00 C ATOM 207 C GLU A 15 6.800 17.121 -5.439 1.00 0.00 C ATOM 208 O GLU A 15 6.960 16.327 -6.366 1.00 0.00 O ATOM 209 CB GLU A 15 4.488 18.078 -5.377 1.00 0.00 C ATOM 210 CG GLU A 15 4.934 19.530 -5.437 1.00 0.00 C ATOM 211 CD GLU A 15 3.939 20.415 -6.161 1.00 0.00 C ATOM 212 OE1 GLU A 15 3.001 20.914 -5.505 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.099 20.610 -7.385 1.00 0.00 O ATOM 0 H GLU A 15 5.327 18.537 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 15 5.082 16.147 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.330 17.713 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.527 18.023 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.078 19.904 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.900 19.589 -5.939 1.00 0.00 H new ATOM 220 N ALA A 16 7.739 17.980 -5.053 1.00 0.00 N ATOM 221 CA ALA A 16 9.035 18.043 -5.719 1.00 0.00 C ATOM 222 C ALA A 16 10.071 17.176 -5.010 1.00 0.00 C ATOM 223 O ALA A 16 11.202 17.040 -5.477 1.00 0.00 O ATOM 224 CB ALA A 16 9.518 19.483 -5.795 1.00 0.00 C ATOM 0 H ALA A 16 7.627 18.641 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 16 8.910 17.654 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.486 19.516 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.799 20.079 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.615 19.888 -4.788 1.00 0.00 H new ATOM 230 N GLN A 17 9.679 16.588 -3.884 1.00 0.00 N ATOM 231 CA GLN A 17 10.582 15.737 -3.115 1.00 0.00 C ATOM 232 C GLN A 17 10.096 14.292 -3.102 1.00 0.00 C ATOM 233 O GLN A 17 10.850 13.379 -2.767 1.00 0.00 O ATOM 234 CB GLN A 17 10.711 16.260 -1.684 1.00 0.00 C ATOM 235 CG GLN A 17 11.441 17.588 -1.588 1.00 0.00 C ATOM 236 CD GLN A 17 12.879 17.494 -2.061 1.00 0.00 C ATOM 237 OE1 GLN A 17 13.792 17.256 -1.270 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.086 17.672 -3.360 1.00 0.00 N ATOM 0 H GLN A 17 8.745 16.684 -3.484 1.00 0.00 H new ATOM 0 HA GLN A 17 11.561 15.763 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.715 16.370 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.238 15.520 -1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.914 18.333 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.423 17.935 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.300 17.867 -3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.031 17.613 -3.739 1.00 0.00 H new ATOM 247 N ARG A 18 8.835 14.092 -3.471 1.00 0.00 N ATOM 248 CA ARG A 18 8.254 12.756 -3.502 1.00 0.00 C ATOM 249 C ARG A 18 8.776 11.967 -4.698 1.00 0.00 C ATOM 250 O ARG A 18 8.797 10.736 -4.684 1.00 0.00 O ATOM 251 CB ARG A 18 6.726 12.840 -3.552 1.00 0.00 C ATOM 252 CG ARG A 18 6.193 13.529 -4.796 1.00 0.00 C ATOM 253 CD ARG A 18 4.674 13.599 -4.789 1.00 0.00 C ATOM 254 NE ARG A 18 4.066 12.272 -4.835 1.00 0.00 N ATOM 255 CZ ARG A 18 2.835 12.041 -5.280 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.083 13.043 -5.715 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.355 10.805 -5.292 1.00 0.00 N ATOM 0 H ARG A 18 8.197 14.837 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 18 8.548 12.236 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.314 11.832 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.371 13.375 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.604 14.537 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.529 12.992 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.339 14.121 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.334 14.184 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 18 4.617 11.478 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.449 13.995 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.139 12.862 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.930 10.031 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.410 10.628 -5.634 1.00 0.00 H new ATOM 271 N LEU A 19 9.199 12.687 -5.732 1.00 0.00 N ATOM 272 CA LEU A 19 9.726 12.062 -6.940 1.00 0.00 C ATOM 273 C LEU A 19 11.052 11.364 -6.658 1.00 0.00 C ATOM 274 O LEU A 19 11.447 10.442 -7.374 1.00 0.00 O ATOM 275 CB LEU A 19 9.901 13.111 -8.040 1.00 0.00 C ATOM 276 CG LEU A 19 10.731 14.336 -7.646 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.215 14.062 -7.832 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.306 15.551 -8.455 1.00 0.00 C ATOM 0 H LEU A 19 9.187 13.707 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 19 9.013 11.310 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.370 12.636 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.915 13.448 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 19 10.552 14.545 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.787 14.945 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.511 13.220 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.413 13.824 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.907 16.412 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.453 15.351 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.253 15.762 -8.268 1.00 0.00 H new ATOM 290 N ASP A 20 11.734 11.811 -5.611 1.00 0.00 N ATOM 291 CA ASP A 20 13.016 11.236 -5.221 1.00 0.00 C ATOM 292 C ASP A 20 12.882 10.505 -3.894 1.00 0.00 C ATOM 293 O ASP A 20 13.744 9.713 -3.517 1.00 0.00 O ATOM 294 CB ASP A 20 14.080 12.328 -5.110 1.00 0.00 C ATOM 295 CG ASP A 20 15.474 11.763 -4.925 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.080 11.337 -5.931 1.00 0.00 O ATOM 297 OD2 ASP A 20 15.961 11.748 -3.776 1.00 0.00 O ATOM 0 H ASP A 20 11.418 12.575 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 20 13.323 10.525 -5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.058 12.945 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.841 12.980 -4.270 1.00 0.00 H new ATOM 302 N PHE A 21 11.787 10.779 -3.195 1.00 0.00 N ATOM 303 CA PHE A 21 11.516 10.151 -1.910 1.00 0.00 C ATOM 304 C PHE A 21 11.309 8.654 -2.091 1.00 0.00 C ATOM 305 O PHE A 21 11.619 7.858 -1.205 1.00 0.00 O ATOM 306 CB PHE A 21 10.273 10.775 -1.272 1.00 0.00 C ATOM 307 CG PHE A 21 10.169 10.538 0.207 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.618 9.367 0.699 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.622 11.491 1.105 1.00 0.00 C ATOM 310 CE1 PHE A 21 9.520 9.150 2.060 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.526 11.281 2.467 1.00 0.00 C ATOM 312 CZ PHE A 21 9.975 10.108 2.945 1.00 0.00 C ATOM 0 H PHE A 21 11.069 11.436 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 21 12.371 10.313 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.280 11.849 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.385 10.372 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.261 8.615 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.055 12.409 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.088 8.232 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.881 12.032 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.900 9.940 4.009 1.00 0.00 H new ATOM 322 N LEU A 22 10.782 8.281 -3.254 1.00 0.00 N ATOM 323 CA LEU A 22 10.528 6.885 -3.570 1.00 0.00 C ATOM 324 C LEU A 22 11.836 6.125 -3.799 1.00 0.00 C ATOM 325 O LEU A 22 12.084 5.112 -3.151 1.00 0.00 O ATOM 326 CB LEU A 22 9.621 6.781 -4.798 1.00 0.00 C ATOM 327 CG LEU A 22 8.936 5.428 -4.988 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.243 4.999 -3.705 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.947 5.493 -6.140 1.00 0.00 C ATOM 0 H LEU A 22 10.523 8.933 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 22 10.022 6.427 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.854 7.552 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.213 6.998 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 22 9.695 4.684 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.760 4.034 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.978 4.915 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.493 5.741 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.467 4.522 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.190 6.248 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.474 5.756 -7.057 1.00 0.00 H new ATOM 341 N PRO A 23 12.696 6.594 -4.725 1.00 0.00 N ATOM 342 CA PRO A 23 13.977 5.934 -5.001 1.00 0.00 C ATOM 343 C PRO A 23 14.956 6.069 -3.839 1.00 0.00 C ATOM 344 O PRO A 23 15.959 5.359 -3.768 1.00 0.00 O ATOM 345 CB PRO A 23 14.507 6.679 -6.230 1.00 0.00 C ATOM 346 CG PRO A 23 13.847 8.014 -6.183 1.00 0.00 C ATOM 347 CD PRO A 23 12.493 7.781 -5.579 1.00 0.00 C ATOM 0 HA PRO A 23 13.857 4.862 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.592 6.773 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.261 6.149 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.427 8.716 -5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.761 8.443 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.159 8.641 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.738 7.601 -6.344 1.00 0.00 H new ATOM 355 N THR A 24 14.655 6.989 -2.931 1.00 0.00 N ATOM 356 CA THR A 24 15.507 7.243 -1.775 1.00 0.00 C ATOM 357 C THR A 24 15.177 6.345 -0.580 1.00 0.00 C ATOM 358 O THR A 24 16.081 5.857 0.101 1.00 0.00 O ATOM 359 CB THR A 24 15.402 8.718 -1.340 1.00 0.00 C ATOM 360 OG1 THR A 24 16.118 9.551 -2.259 1.00 0.00 O ATOM 361 CG2 THR A 24 15.947 8.922 0.063 1.00 0.00 C ATOM 0 H THR A 24 13.822 7.575 -2.973 1.00 0.00 H new ATOM 0 HA THR A 24 16.524 7.013 -2.092 1.00 0.00 H new ATOM 0 HB THR A 24 14.347 8.992 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.482 10.017 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.858 9.973 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.379 8.313 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.996 8.627 0.092 1.00 0.00 H new ATOM 369 N TYR A 25 13.892 6.124 -0.324 1.00 0.00 N ATOM 370 CA TYR A 25 13.480 5.306 0.816 1.00 0.00 C ATOM 371 C TYR A 25 12.948 3.941 0.392 1.00 0.00 C ATOM 372 O TYR A 25 13.075 2.963 1.131 1.00 0.00 O ATOM 373 CB TYR A 25 12.431 6.049 1.642 1.00 0.00 C ATOM 374 CG TYR A 25 12.994 7.234 2.394 1.00 0.00 C ATOM 375 CD1 TYR A 25 13.575 7.072 3.646 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.951 8.512 1.851 1.00 0.00 C ATOM 377 CE1 TYR A 25 14.096 8.150 4.335 1.00 0.00 C ATOM 378 CE2 TYR A 25 13.469 9.595 2.536 1.00 0.00 C ATOM 379 CZ TYR A 25 14.041 9.409 3.776 1.00 0.00 C ATOM 380 OH TYR A 25 14.559 10.485 4.461 1.00 0.00 O ATOM 0 H TYR A 25 13.123 6.495 -0.883 1.00 0.00 H new ATOM 0 HA TYR A 25 14.367 5.129 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.634 6.391 0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.981 5.356 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.620 6.087 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.506 8.662 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.544 8.007 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.426 10.583 2.101 1.00 0.00 H new ATOM 0 HH TYR A 25 14.442 11.299 3.928 1.00 0.00 H new ATOM 390 N PHE A 26 12.353 3.871 -0.791 1.00 0.00 N ATOM 391 CA PHE A 26 11.812 2.615 -1.294 1.00 0.00 C ATOM 392 C PHE A 26 12.853 1.905 -2.149 1.00 0.00 C ATOM 393 O PHE A 26 13.000 0.684 -2.089 1.00 0.00 O ATOM 394 CB PHE A 26 10.543 2.873 -2.110 1.00 0.00 C ATOM 395 CG PHE A 26 9.522 1.779 -1.997 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.779 1.624 -0.836 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.302 0.905 -3.050 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.837 0.620 -0.729 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.361 -0.102 -2.947 1.00 0.00 C ATOM 400 CZ PHE A 26 7.628 -0.246 -1.786 1.00 0.00 C ATOM 0 H PHE A 26 12.233 4.666 -1.419 1.00 0.00 H new ATOM 0 HA PHE A 26 11.557 1.978 -0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.095 3.811 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.815 2.998 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.939 2.296 -0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.872 1.012 -3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.264 0.511 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.199 -0.776 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.893 -1.033 -1.704 1.00 0.00 H new ATOM 410 N GLY A 27 13.576 2.688 -2.942 1.00 0.00 N ATOM 411 CA GLY A 27 14.608 2.139 -3.799 1.00 0.00 C ATOM 412 C GLY A 27 14.567 2.728 -5.195 1.00 0.00 C ATOM 413 O GLY A 27 13.491 2.859 -5.778 1.00 0.00 O ATOM 0 H GLY A 27 13.464 3.700 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.585 2.329 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.490 1.057 -3.859 1.00 0.00 H new ATOM 417 N PRO A 28 15.728 3.097 -5.764 1.00 0.00 N ATOM 418 CA PRO A 28 15.791 3.675 -7.109 1.00 0.00 C ATOM 419 C PRO A 28 15.265 2.709 -8.155 1.00 0.00 C ATOM 420 O PRO A 28 14.887 3.108 -9.256 1.00 0.00 O ATOM 421 CB PRO A 28 17.283 3.950 -7.325 1.00 0.00 C ATOM 422 CG PRO A 28 17.987 3.085 -6.336 1.00 0.00 C ATOM 423 CD PRO A 28 17.063 2.970 -5.156 1.00 0.00 C ATOM 0 HA PRO A 28 15.177 4.571 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.584 3.708 -8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.517 5.002 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.203 2.104 -6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.941 3.523 -6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.183 2.016 -4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.248 3.754 -4.421 1.00 0.00 H new ATOM 431 N ARG A 29 15.254 1.432 -7.800 1.00 0.00 N ATOM 432 CA ARG A 29 14.765 0.397 -8.693 1.00 0.00 C ATOM 433 C ARG A 29 13.313 0.049 -8.375 1.00 0.00 C ATOM 434 O ARG A 29 12.507 -0.161 -9.282 1.00 0.00 O ATOM 435 CB ARG A 29 15.647 -0.853 -8.585 1.00 0.00 C ATOM 436 CG ARG A 29 15.147 -2.037 -9.399 1.00 0.00 C ATOM 437 CD ARG A 29 14.254 -2.948 -8.569 1.00 0.00 C ATOM 438 NE ARG A 29 13.719 -4.055 -9.356 1.00 0.00 N ATOM 439 CZ ARG A 29 13.372 -5.228 -8.836 1.00 0.00 C ATOM 440 NH1 ARG A 29 13.505 -5.448 -7.535 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.890 -6.185 -9.618 1.00 0.00 N ATOM 0 H ARG A 29 15.580 1.089 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 29 14.810 0.774 -9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.656 -0.602 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.714 -1.148 -7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.594 -1.676 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.997 -2.605 -9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.822 -3.343 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.430 -2.367 -8.153 1.00 0.00 H new ATOM 0 HE ARG A 29 13.605 -3.921 -10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.875 -4.716 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.237 -6.350 -7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.785 -6.021 -10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.624 -7.085 -9.218 1.00 0.00 H new ATOM 455 N LEU A 30 12.981 -0.009 -7.086 1.00 0.00 N ATOM 456 CA LEU A 30 11.633 -0.346 -6.644 1.00 0.00 C ATOM 457 C LEU A 30 10.605 0.708 -7.034 1.00 0.00 C ATOM 458 O LEU A 30 9.457 0.378 -7.302 1.00 0.00 O ATOM 459 CB LEU A 30 11.620 -0.514 -5.123 1.00 0.00 C ATOM 460 CG LEU A 30 12.259 -1.800 -4.596 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.767 -1.772 -4.796 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.921 -1.992 -3.124 1.00 0.00 C ATOM 0 H LEU A 30 13.635 0.175 -6.325 1.00 0.00 H new ATOM 0 HA LEU A 30 11.357 -1.276 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.136 0.336 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.586 -0.476 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 30 11.856 -2.641 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.202 -2.696 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.991 -1.677 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.190 -0.923 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.382 -2.911 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.299 -1.146 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.840 -2.057 -3.004 1.00 0.00 H new ATOM 474 N MET A 31 11.012 1.972 -7.037 1.00 0.00 N ATOM 475 CA MET A 31 10.110 3.076 -7.374 1.00 0.00 C ATOM 476 C MET A 31 9.043 2.678 -8.392 1.00 0.00 C ATOM 477 O MET A 31 7.883 3.070 -8.266 1.00 0.00 O ATOM 478 CB MET A 31 10.909 4.268 -7.897 1.00 0.00 C ATOM 479 CG MET A 31 12.052 3.871 -8.815 1.00 0.00 C ATOM 480 SD MET A 31 12.095 4.839 -10.336 1.00 0.00 S ATOM 481 CE MET A 31 12.311 6.492 -9.682 1.00 0.00 C ATOM 0 H MET A 31 11.963 2.262 -6.810 1.00 0.00 H new ATOM 0 HA MET A 31 9.591 3.352 -6.456 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.238 4.939 -8.434 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.309 4.827 -7.051 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.997 3.993 -8.285 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.961 2.814 -9.065 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.338 7.208 -10.504 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.480 6.732 -9.019 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.247 6.544 -9.125 1.00 0.00 H new ATOM 491 N MET A 32 9.430 1.901 -9.395 1.00 0.00 N ATOM 492 CA MET A 32 8.492 1.463 -10.419 1.00 0.00 C ATOM 493 C MET A 32 8.048 0.027 -10.165 1.00 0.00 C ATOM 494 O MET A 32 6.894 -0.331 -10.403 1.00 0.00 O ATOM 495 CB MET A 32 9.127 1.582 -11.806 1.00 0.00 C ATOM 496 CG MET A 32 10.368 0.721 -11.983 1.00 0.00 C ATOM 497 SD MET A 32 11.215 1.037 -13.542 1.00 0.00 S ATOM 498 CE MET A 32 11.654 2.763 -13.345 1.00 0.00 C ATOM 0 H MET A 32 10.384 1.562 -9.521 1.00 0.00 H new ATOM 0 HA MET A 32 7.614 2.107 -10.377 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.390 1.302 -12.559 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.389 2.624 -11.988 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.055 0.906 -11.157 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.086 -0.331 -11.934 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.362 3.049 -14.122 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.758 3.378 -13.426 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.109 2.913 -12.366 1.00 0.00 H new ATOM 508 N ARG A 33 8.976 -0.792 -9.679 1.00 0.00 N ATOM 509 CA ARG A 33 8.691 -2.191 -9.391 1.00 0.00 C ATOM 510 C ARG A 33 7.754 -2.339 -8.196 1.00 0.00 C ATOM 511 O ARG A 33 7.221 -3.421 -7.949 1.00 0.00 O ATOM 512 CB ARG A 33 9.994 -2.945 -9.122 1.00 0.00 C ATOM 513 CG ARG A 33 11.050 -2.744 -10.199 1.00 0.00 C ATOM 514 CD ARG A 33 10.600 -3.292 -11.545 1.00 0.00 C ATOM 515 NE ARG A 33 9.620 -2.424 -12.193 1.00 0.00 N ATOM 516 CZ ARG A 33 9.159 -2.622 -13.425 1.00 0.00 C ATOM 517 NH1 ARG A 33 9.590 -3.653 -14.139 1.00 0.00 N ATOM 518 NH2 ARG A 33 8.267 -1.789 -13.944 1.00 0.00 N ATOM 0 H ARG A 33 9.935 -0.508 -9.476 1.00 0.00 H new ATOM 0 HA ARG A 33 8.194 -2.615 -10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.399 -2.622 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.776 -4.009 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.272 -1.681 -10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.974 -3.237 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.466 -3.409 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.169 -4.284 -11.406 1.00 0.00 H new ATOM 0 HE ARG A 33 9.269 -1.621 -11.671 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.276 -4.296 -13.744 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.235 -3.803 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.933 -0.995 -13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.915 -1.943 -14.889 1.00 0.00 H new ATOM 532 N GLY A 34 7.553 -1.253 -7.452 1.00 0.00 N ATOM 533 CA GLY A 34 6.680 -1.304 -6.293 1.00 0.00 C ATOM 534 C GLY A 34 5.372 -0.580 -6.529 1.00 0.00 C ATOM 535 O GLY A 34 4.306 -1.080 -6.166 1.00 0.00 O ATOM 0 H GLY A 34 7.978 -0.343 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.477 -2.344 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.189 -0.861 -5.437 1.00 0.00 H new ATOM 539 N GLU A 35 5.451 0.599 -7.137 1.00 0.00 N ATOM 540 CA GLU A 35 4.262 1.388 -7.425 1.00 0.00 C ATOM 541 C GLU A 35 3.332 0.622 -8.358 1.00 0.00 C ATOM 542 O GLU A 35 2.117 0.596 -8.159 1.00 0.00 O ATOM 543 CB GLU A 35 4.650 2.727 -8.056 1.00 0.00 C ATOM 544 CG GLU A 35 3.458 3.589 -8.441 1.00 0.00 C ATOM 545 CD GLU A 35 3.867 4.880 -9.119 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.023 4.876 -10.359 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.030 5.896 -8.412 1.00 0.00 O ATOM 0 H GLU A 35 6.326 1.028 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 35 3.740 1.580 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.277 3.280 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.253 2.539 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.806 3.024 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.878 3.820 -7.548 1.00 0.00 H new ATOM 554 N ALA A 36 3.917 0.002 -9.378 1.00 0.00 N ATOM 555 CA ALA A 36 3.150 -0.775 -10.345 1.00 0.00 C ATOM 556 C ALA A 36 2.339 -1.868 -9.657 1.00 0.00 C ATOM 557 O ALA A 36 1.260 -2.235 -10.117 1.00 0.00 O ATOM 558 CB ALA A 36 4.080 -1.382 -11.385 1.00 0.00 C ATOM 0 H ALA A 36 4.921 0.023 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 36 2.451 -0.102 -10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.497 -1.960 -12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.611 -0.586 -11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.800 -2.036 -10.892 1.00 0.00 H new ATOM 564 N LEU A 37 2.868 -2.393 -8.557 1.00 0.00 N ATOM 565 CA LEU A 37 2.190 -3.445 -7.806 1.00 0.00 C ATOM 566 C LEU A 37 1.061 -2.885 -6.945 1.00 0.00 C ATOM 567 O LEU A 37 -0.025 -3.460 -6.883 1.00 0.00 O ATOM 568 CB LEU A 37 3.188 -4.188 -6.918 1.00 0.00 C ATOM 569 CG LEU A 37 3.823 -5.428 -7.547 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.694 -5.044 -8.733 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.633 -6.186 -6.507 1.00 0.00 C ATOM 0 H LEU A 37 3.765 -2.107 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 37 1.757 -4.135 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.982 -3.497 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.681 -4.485 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 37 3.028 -6.079 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.136 -5.942 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.085 -4.541 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.486 -4.373 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.081 -7.067 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.420 -5.540 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.980 -6.494 -5.691 1.00 0.00 H new ATOM 583 N VAL A 38 1.322 -1.760 -6.289 1.00 0.00 N ATOM 584 CA VAL A 38 0.328 -1.136 -5.423 1.00 0.00 C ATOM 585 C VAL A 38 -0.943 -0.814 -6.195 1.00 0.00 C ATOM 586 O VAL A 38 -2.052 -1.018 -5.701 1.00 0.00 O ATOM 587 CB VAL A 38 0.863 0.159 -4.786 1.00 0.00 C ATOM 588 CG1 VAL A 38 -0.143 0.727 -3.797 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.209 -0.092 -4.127 1.00 0.00 C ATOM 0 H VAL A 38 2.211 -1.262 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 38 0.105 -1.854 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 38 1.007 0.901 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.255 1.642 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.076 0.949 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.330 -0.002 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.574 0.833 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.099 -0.850 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.921 -0.440 -4.875 1.00 0.00 H new ATOM 599 N TYR A 39 -0.772 -0.311 -7.409 1.00 0.00 N ATOM 600 CA TYR A 39 -1.904 0.046 -8.252 1.00 0.00 C ATOM 601 C TYR A 39 -2.446 -1.182 -8.980 1.00 0.00 C ATOM 602 O TYR A 39 -3.610 -1.213 -9.377 1.00 0.00 O ATOM 603 CB TYR A 39 -1.489 1.138 -9.244 1.00 0.00 C ATOM 604 CG TYR A 39 -1.256 0.652 -10.655 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.014 0.176 -11.044 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.276 0.674 -11.598 1.00 0.00 C ATOM 607 CE1 TYR A 39 0.210 -0.265 -12.334 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.062 0.234 -12.890 1.00 0.00 C ATOM 609 CZ TYR A 39 -0.817 -0.235 -13.253 1.00 0.00 C ATOM 610 OH TYR A 39 -0.600 -0.674 -14.539 1.00 0.00 O ATOM 0 H TYR A 39 0.140 -0.141 -7.833 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.705 0.435 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.262 1.907 -9.262 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.576 1.611 -8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.793 0.149 -10.326 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.252 1.041 -11.317 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.185 -0.631 -12.621 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.865 0.257 -13.612 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.426 -0.587 -15.058 1.00 0.00 H new ATOM 620 N ALA A 40 -1.595 -2.192 -9.152 1.00 0.00 N ATOM 621 CA ALA A 40 -1.997 -3.423 -9.825 1.00 0.00 C ATOM 622 C ALA A 40 -3.052 -4.159 -9.010 1.00 0.00 C ATOM 623 O ALA A 40 -4.021 -4.683 -9.556 1.00 0.00 O ATOM 624 CB ALA A 40 -0.793 -4.320 -10.062 1.00 0.00 C ATOM 0 H ALA A 40 -0.626 -2.181 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.428 -3.159 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.113 -5.233 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.067 -3.798 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.335 -4.574 -9.106 1.00 0.00 H new ATOM 630 N TRP A 41 -2.848 -4.201 -7.697 1.00 0.00 N ATOM 631 CA TRP A 41 -3.786 -4.861 -6.801 1.00 0.00 C ATOM 632 C TRP A 41 -5.048 -4.022 -6.640 1.00 0.00 C ATOM 633 O TRP A 41 -6.138 -4.554 -6.436 1.00 0.00 O ATOM 634 CB TRP A 41 -3.132 -5.103 -5.435 1.00 0.00 C ATOM 635 CG TRP A 41 -2.112 -6.201 -5.449 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.759 -6.064 -5.569 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.365 -7.606 -5.339 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.156 -7.297 -5.541 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.120 -8.261 -5.400 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.523 -8.375 -5.194 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.002 -9.646 -5.320 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.406 -9.750 -5.115 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.153 -10.373 -5.178 1.00 0.00 C ATOM 0 H TRP A 41 -2.041 -3.785 -7.232 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.062 -5.823 -7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.658 -4.181 -5.099 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.907 -5.346 -4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.239 -5.123 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.847 -7.468 -5.613 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.493 -7.903 -5.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.037 -10.129 -5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.295 -10.353 -5.003 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.094 -11.449 -5.113 1.00 0.00 H new ATOM 654 N MET A 42 -4.888 -2.704 -6.736 1.00 0.00 N ATOM 655 CA MET A 42 -6.009 -1.782 -6.599 1.00 0.00 C ATOM 656 C MET A 42 -7.032 -1.970 -7.718 1.00 0.00 C ATOM 657 O MET A 42 -8.221 -2.150 -7.459 1.00 0.00 O ATOM 658 CB MET A 42 -5.497 -0.341 -6.600 1.00 0.00 C ATOM 659 CG MET A 42 -6.385 0.617 -5.830 1.00 0.00 C ATOM 660 SD MET A 42 -6.563 0.154 -4.098 1.00 0.00 S ATOM 661 CE MET A 42 -7.479 1.555 -3.468 1.00 0.00 C ATOM 0 H MET A 42 -3.990 -2.251 -6.909 1.00 0.00 H new ATOM 0 HA MET A 42 -6.506 -1.996 -5.653 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.495 -0.320 -6.171 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.410 0.005 -7.630 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.969 1.623 -5.893 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.369 0.649 -6.297 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.032 1.891 -2.532 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.449 2.366 -4.196 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.514 1.263 -3.292 1.00 0.00 H new ATOM 671 N ARG A 43 -6.561 -1.928 -8.962 1.00 0.00 N ATOM 672 CA ARG A 43 -7.435 -2.088 -10.122 1.00 0.00 C ATOM 673 C ARG A 43 -8.173 -3.425 -10.087 1.00 0.00 C ATOM 674 O ARG A 43 -9.136 -3.631 -10.825 1.00 0.00 O ATOM 675 CB ARG A 43 -6.627 -1.979 -11.414 1.00 0.00 C ATOM 676 CG ARG A 43 -5.347 -2.792 -11.396 1.00 0.00 C ATOM 677 CD ARG A 43 -4.783 -2.976 -12.792 1.00 0.00 C ATOM 678 NE ARG A 43 -4.596 -1.703 -13.483 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.158 -1.601 -14.735 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.855 -2.691 -15.427 1.00 0.00 N ATOM 681 NH2 ARG A 43 -4.022 -0.407 -15.295 1.00 0.00 N ATOM 0 H ARG A 43 -5.578 -1.784 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.176 -1.289 -10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.246 -2.308 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.381 -0.932 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.608 -2.295 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.541 -3.767 -10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.828 -3.498 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.455 -3.608 -13.373 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.813 -0.844 -12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.958 -3.611 -15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.519 -2.609 -16.387 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.253 0.434 -14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.686 -0.329 -16.255 1.00 0.00 H new ATOM 695 N ARG A 44 -7.716 -4.328 -9.227 1.00 0.00 N ATOM 696 CA ARG A 44 -8.331 -5.643 -9.093 1.00 0.00 C ATOM 697 C ARG A 44 -9.499 -5.596 -8.108 1.00 0.00 C ATOM 698 O ARG A 44 -10.527 -6.242 -8.310 1.00 0.00 O ATOM 699 CB ARG A 44 -7.276 -6.652 -8.635 1.00 0.00 C ATOM 700 CG ARG A 44 -7.744 -7.591 -7.541 1.00 0.00 C ATOM 701 CD ARG A 44 -6.620 -8.499 -7.079 1.00 0.00 C ATOM 702 NE ARG A 44 -6.218 -9.444 -8.117 1.00 0.00 N ATOM 703 CZ ARG A 44 -5.828 -10.691 -7.868 1.00 0.00 C ATOM 704 NH1 ARG A 44 -5.795 -11.144 -6.623 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.472 -11.487 -8.868 1.00 0.00 N ATOM 0 H ARG A 44 -6.919 -4.172 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.725 -5.953 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.959 -7.243 -9.494 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.400 -6.109 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.118 -7.012 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.575 -8.194 -7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.762 -7.894 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.938 -9.048 -6.193 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.237 -9.130 -9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.069 -10.536 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.495 -12.101 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.497 -11.143 -9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.173 -12.443 -8.677 1.00 0.00 H new ATOM 719 N LEU A 45 -9.321 -4.823 -7.045 1.00 0.00 N ATOM 720 CA LEU A 45 -10.345 -4.678 -6.017 1.00 0.00 C ATOM 721 C LEU A 45 -11.643 -4.118 -6.592 1.00 0.00 C ATOM 722 O LEU A 45 -12.730 -4.447 -6.119 1.00 0.00 O ATOM 723 CB LEU A 45 -9.851 -3.773 -4.893 1.00 0.00 C ATOM 724 CG LEU A 45 -8.431 -4.063 -4.401 1.00 0.00 C ATOM 725 CD1 LEU A 45 -7.973 -2.987 -3.429 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.363 -5.436 -3.749 1.00 0.00 C ATOM 0 H LEU A 45 -8.473 -4.284 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.548 -5.672 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.896 -2.739 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.536 -3.861 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.761 -4.057 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.961 -3.210 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.983 -2.018 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.646 -2.961 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.346 -5.626 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.045 -5.470 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.649 -6.198 -4.474 1.00 0.00 H new ATOM 738 N CYS A 46 -11.531 -3.280 -7.617 1.00 0.00 N ATOM 739 CA CYS A 46 -12.705 -2.685 -8.249 1.00 0.00 C ATOM 740 C CYS A 46 -12.744 -3.039 -9.733 1.00 0.00 C ATOM 741 O CYS A 46 -11.708 -3.305 -10.342 1.00 0.00 O ATOM 742 CB CYS A 46 -12.697 -1.165 -8.071 1.00 0.00 C ATOM 743 SG CYS A 46 -14.153 -0.334 -8.746 1.00 0.00 S ATOM 0 H CYS A 46 -10.641 -2.997 -8.028 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.596 -3.087 -7.768 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.621 -0.935 -7.008 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.806 -0.759 -8.550 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.030 -0.161 -7.802 1.00 0.00 H new ATOM 749 N GLU A 47 -13.941 -3.044 -10.310 1.00 0.00 N ATOM 750 CA GLU A 47 -14.105 -3.380 -11.721 1.00 0.00 C ATOM 751 C GLU A 47 -14.069 -2.134 -12.601 1.00 0.00 C ATOM 752 O GLU A 47 -13.865 -2.226 -13.812 1.00 0.00 O ATOM 753 CB GLU A 47 -15.415 -4.141 -11.936 1.00 0.00 C ATOM 754 CG GLU A 47 -16.633 -3.440 -11.360 1.00 0.00 C ATOM 755 CD GLU A 47 -17.115 -2.291 -12.222 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.274 -2.490 -13.444 1.00 0.00 O ATOM 757 OE2 GLU A 47 -17.341 -1.192 -11.673 1.00 0.00 O ATOM 0 H GLU A 47 -14.810 -2.820 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.270 -4.017 -12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.566 -4.291 -13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.329 -5.129 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.440 -4.163 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.393 -3.065 -10.365 1.00 0.00 H new ATOM 764 N ARG A 48 -14.266 -0.970 -11.990 1.00 0.00 N ATOM 765 CA ARG A 48 -14.253 0.290 -12.729 1.00 0.00 C ATOM 766 C ARG A 48 -13.073 1.158 -12.307 1.00 0.00 C ATOM 767 O ARG A 48 -12.965 2.315 -12.712 1.00 0.00 O ATOM 768 CB ARG A 48 -15.562 1.053 -12.509 1.00 0.00 C ATOM 769 CG ARG A 48 -15.782 1.483 -11.068 1.00 0.00 C ATOM 770 CD ARG A 48 -17.021 2.352 -10.927 1.00 0.00 C ATOM 771 NE ARG A 48 -17.211 2.817 -9.555 1.00 0.00 N ATOM 772 CZ ARG A 48 -18.030 3.810 -9.220 1.00 0.00 C ATOM 773 NH1 ARG A 48 -18.732 4.440 -10.153 1.00 0.00 N ATOM 774 NH2 ARG A 48 -18.148 4.173 -7.950 1.00 0.00 N ATOM 0 H ARG A 48 -14.436 -0.872 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.150 0.055 -13.788 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.570 1.936 -13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.396 0.425 -12.823 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.882 0.601 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.909 2.032 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.939 3.211 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.898 1.787 -11.243 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.686 2.354 -8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.645 4.163 -11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.359 5.201 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.611 3.691 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.776 4.935 -7.694 1.00 0.00 H new ATOM 788 N TYR A 49 -12.192 0.592 -11.490 1.00 0.00 N ATOM 789 CA TYR A 49 -11.022 1.313 -11.005 1.00 0.00 C ATOM 790 C TYR A 49 -10.062 1.643 -12.141 1.00 0.00 C ATOM 791 O TYR A 49 -9.188 0.847 -12.482 1.00 0.00 O ATOM 792 CB TYR A 49 -10.294 0.497 -9.939 1.00 0.00 C ATOM 793 CG TYR A 49 -9.660 1.350 -8.868 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.553 2.141 -9.146 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.175 1.370 -7.580 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.977 2.928 -8.168 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.607 2.155 -6.598 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.508 2.933 -6.896 1.00 0.00 C ATOM 799 OH TYR A 49 -7.939 3.719 -5.920 1.00 0.00 O ATOM 0 H TYR A 49 -12.267 -0.366 -11.149 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.372 2.248 -10.567 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.998 -0.193 -9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.523 -0.107 -10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.136 2.141 -10.142 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.035 0.761 -7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.115 3.536 -8.399 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.021 2.160 -5.601 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.537 4.512 -6.332 1.00 0.00 H new ATOM 809 N ASN A 50 -10.242 2.818 -12.726 1.00 0.00 N ATOM 810 CA ASN A 50 -9.384 3.271 -13.815 1.00 0.00 C ATOM 811 C ASN A 50 -8.010 3.686 -13.290 1.00 0.00 C ATOM 812 O ASN A 50 -6.988 3.412 -13.919 1.00 0.00 O ATOM 813 CB ASN A 50 -10.036 4.441 -14.557 1.00 0.00 C ATOM 814 CG ASN A 50 -11.176 4.003 -15.456 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.846 2.919 -15.084 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -11.451 4.632 -16.477 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.975 3.477 -12.465 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.252 2.441 -14.509 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.409 5.164 -13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.282 4.951 -15.156 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.911 5.460 -16.727 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.219 4.325 -17.074 1.00 0.00 H new ATOM 823 N GLY A 51 -7.994 4.349 -12.135 1.00 0.00 N ATOM 824 CA GLY A 51 -6.739 4.787 -11.549 1.00 0.00 C ATOM 825 C GLY A 51 -6.908 5.976 -10.621 1.00 0.00 C ATOM 826 O GLY A 51 -8.026 6.439 -10.393 1.00 0.00 O ATOM 0 H GLY A 51 -8.826 4.590 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.293 3.960 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.043 5.049 -12.346 1.00 0.00 H new ATOM 830 N ALA A 52 -5.792 6.474 -10.089 1.00 0.00 N ATOM 831 CA ALA A 52 -5.813 7.616 -9.179 1.00 0.00 C ATOM 832 C ALA A 52 -4.396 8.054 -8.815 1.00 0.00 C ATOM 833 O ALA A 52 -3.419 7.429 -9.229 1.00 0.00 O ATOM 834 CB ALA A 52 -6.601 7.280 -7.923 1.00 0.00 C ATOM 0 H ALA A 52 -4.860 6.102 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.304 8.445 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.607 8.142 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.625 7.024 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.137 6.433 -7.418 1.00 0.00 H new ATOM 840 N TYR A 53 -4.291 9.130 -8.039 1.00 0.00 N ATOM 841 CA TYR A 53 -2.991 9.647 -7.619 1.00 0.00 C ATOM 842 C TYR A 53 -2.525 8.985 -6.327 1.00 0.00 C ATOM 843 O TYR A 53 -2.904 9.397 -5.233 1.00 0.00 O ATOM 844 CB TYR A 53 -3.053 11.164 -7.432 1.00 0.00 C ATOM 845 CG TYR A 53 -2.660 11.944 -8.666 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.370 11.869 -9.173 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.576 12.758 -9.320 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.002 12.582 -10.298 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.217 13.475 -10.446 1.00 0.00 C ATOM 850 CZ TYR A 53 -1.929 13.382 -10.930 1.00 0.00 C ATOM 851 OH TYR A 53 -1.567 14.095 -12.051 1.00 0.00 O ATOM 0 H TYR A 53 -5.089 9.660 -7.689 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.272 9.413 -8.404 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.066 11.445 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.396 11.447 -6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.641 11.243 -8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.585 12.832 -8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.006 12.513 -10.680 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.940 14.104 -10.943 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.337 14.608 -12.375 1.00 0.00 H new ATOM 861 N TRP A 54 -1.710 7.946 -6.470 1.00 0.00 N ATOM 862 CA TRP A 54 -1.181 7.213 -5.321 1.00 0.00 C ATOM 863 C TRP A 54 -0.111 8.027 -4.592 1.00 0.00 C ATOM 864 O TRP A 54 1.086 7.782 -4.741 1.00 0.00 O ATOM 865 CB TRP A 54 -0.608 5.874 -5.789 1.00 0.00 C ATOM 866 CG TRP A 54 -1.322 5.323 -6.986 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.618 4.894 -7.045 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.786 5.156 -8.305 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.918 4.468 -8.316 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.810 4.618 -9.107 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.461 5.407 -8.885 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.625 4.329 -10.457 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.643 5.120 -10.224 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.396 4.586 -10.997 1.00 0.00 C ATOM 0 H TRP A 54 -1.399 7.590 -7.374 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.995 7.032 -4.618 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.448 6.000 -6.028 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.667 5.154 -4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.307 4.890 -6.213 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.819 4.100 -8.621 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.268 5.818 -8.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.424 3.917 -11.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.602 5.310 -10.682 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.222 4.373 -12.041 1.00 0.00 H new ATOM 885 N HIS A 55 -0.565 9.006 -3.811 1.00 0.00 N ATOM 886 CA HIS A 55 0.325 9.876 -3.052 1.00 0.00 C ATOM 887 C HIS A 55 1.303 9.073 -2.207 1.00 0.00 C ATOM 888 O HIS A 55 0.949 8.049 -1.626 1.00 0.00 O ATOM 889 CB HIS A 55 -0.483 10.809 -2.149 1.00 0.00 C ATOM 890 CG HIS A 55 -1.416 11.711 -2.895 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.033 12.931 -3.412 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.725 11.567 -3.205 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.067 13.498 -4.008 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.105 12.690 -3.898 1.00 0.00 N ATOM 0 H HIS A 55 -1.556 9.216 -3.688 1.00 0.00 H new ATOM 0 HA HIS A 55 0.895 10.467 -3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.058 10.209 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.205 11.418 -1.562 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.098 13.333 -3.345 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.354 10.726 -2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.063 14.459 -4.501 1.00 0.00 H new ATOM 903 N TYR A 56 2.538 9.553 -2.145 1.00 0.00 N ATOM 904 CA TYR A 56 3.574 8.896 -1.362 1.00 0.00 C ATOM 905 C TYR A 56 3.485 9.323 0.099 1.00 0.00 C ATOM 906 O TYR A 56 3.327 10.505 0.401 1.00 0.00 O ATOM 907 CB TYR A 56 4.961 9.222 -1.923 1.00 0.00 C ATOM 908 CG TYR A 56 5.149 8.828 -3.374 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.464 7.748 -3.922 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.016 9.535 -4.196 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.639 7.389 -5.245 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.196 9.182 -5.520 1.00 0.00 C ATOM 913 CZ TYR A 56 5.505 8.109 -6.039 1.00 0.00 C ATOM 914 OH TYR A 56 5.681 7.754 -7.357 1.00 0.00 O ATOM 0 H TYR A 56 2.846 10.396 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 56 3.419 7.819 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.140 10.293 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.714 8.715 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.784 7.181 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.560 10.377 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.099 6.548 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.875 9.744 -6.144 1.00 0.00 H new ATOM 0 HH TYR A 56 5.110 6.986 -7.568 1.00 0.00 H new ATOM 924 N TYR A 57 3.588 8.354 0.999 1.00 0.00 N ATOM 925 CA TYR A 57 3.510 8.632 2.428 1.00 0.00 C ATOM 926 C TYR A 57 4.754 8.144 3.162 1.00 0.00 C ATOM 927 O TYR A 57 5.316 7.100 2.836 1.00 0.00 O ATOM 928 CB TYR A 57 2.261 7.988 3.029 1.00 0.00 C ATOM 929 CG TYR A 57 0.997 8.770 2.761 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.606 9.799 3.607 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.195 8.481 1.664 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.547 10.521 3.367 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.959 9.200 1.415 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.326 10.218 2.271 1.00 0.00 C ATOM 935 OH TYR A 57 -2.473 10.936 2.027 1.00 0.00 O ATOM 0 H TYR A 57 3.725 7.370 0.766 1.00 0.00 H new ATOM 0 HA TYR A 57 3.449 9.713 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.150 6.982 2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.396 7.886 4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.213 10.039 4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.478 7.682 0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.837 11.319 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.570 8.966 0.555 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.905 10.597 1.215 1.00 0.00 H new ATOM 945 N ALA A 58 5.176 8.918 4.158 1.00 0.00 N ATOM 946 CA ALA A 58 6.351 8.582 4.951 1.00 0.00 C ATOM 947 C ALA A 58 5.961 8.193 6.371 1.00 0.00 C ATOM 948 O ALA A 58 5.546 9.037 7.166 1.00 0.00 O ATOM 949 CB ALA A 58 7.321 9.753 4.975 1.00 0.00 C ATOM 0 H ALA A 58 4.718 9.786 4.435 1.00 0.00 H new ATOM 0 HA ALA A 58 6.839 7.725 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.195 9.489 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.633 9.988 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.831 10.622 5.414 1.00 0.00 H new ATOM 955 N LEU A 59 6.095 6.910 6.684 1.00 0.00 N ATOM 956 CA LEU A 59 5.758 6.407 8.010 1.00 0.00 C ATOM 957 C LEU A 59 6.923 6.594 8.977 1.00 0.00 C ATOM 958 O LEU A 59 8.088 6.533 8.584 1.00 0.00 O ATOM 959 CB LEU A 59 5.359 4.935 7.924 1.00 0.00 C ATOM 960 CG LEU A 59 3.902 4.687 7.533 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.745 3.311 6.907 1.00 0.00 C ATOM 962 CD2 LEU A 59 2.991 4.836 8.742 1.00 0.00 C ATOM 0 H LEU A 59 6.435 6.198 6.037 1.00 0.00 H new ATOM 0 HA LEU A 59 4.912 6.979 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.004 4.440 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.546 4.465 8.890 1.00 0.00 H new ATOM 0 HG LEU A 59 3.612 5.434 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.702 3.152 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.367 3.244 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.054 2.549 7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.958 4.656 8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.279 4.114 9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.082 5.845 9.144 1.00 0.00 H new ATOM 974 N SER A 60 6.595 6.825 10.245 1.00 0.00 N ATOM 975 CA SER A 60 7.607 7.041 11.276 1.00 0.00 C ATOM 976 C SER A 60 8.289 5.737 11.679 1.00 0.00 C ATOM 977 O SER A 60 9.275 5.748 12.416 1.00 0.00 O ATOM 978 CB SER A 60 6.975 7.695 12.506 1.00 0.00 C ATOM 979 OG SER A 60 6.396 8.946 12.179 1.00 0.00 O ATOM 0 H SER A 60 5.634 6.868 10.584 1.00 0.00 H new ATOM 0 HA SER A 60 8.366 7.703 10.859 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.213 7.036 12.921 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.732 7.832 13.278 1.00 0.00 H new ATOM 0 HG SER A 60 5.586 8.802 11.646 1.00 0.00 H new ATOM 985 N ASP A 61 7.764 4.616 11.198 1.00 0.00 N ATOM 986 CA ASP A 61 8.333 3.313 11.523 1.00 0.00 C ATOM 987 C ASP A 61 9.365 2.896 10.479 1.00 0.00 C ATOM 988 O ASP A 61 10.305 2.161 10.781 1.00 0.00 O ATOM 989 CB ASP A 61 7.232 2.257 11.619 1.00 0.00 C ATOM 990 CG ASP A 61 7.681 1.022 12.376 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.680 0.401 11.961 1.00 0.00 O ATOM 992 OD2 ASP A 61 7.031 0.679 13.386 1.00 0.00 O ATOM 0 H ASP A 61 6.950 4.582 10.585 1.00 0.00 H new ATOM 0 HA ASP A 61 8.830 3.394 12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.362 2.687 12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.918 1.971 10.615 1.00 0.00 H new ATOM 997 N GLY A 62 9.184 3.371 9.251 1.00 0.00 N ATOM 998 CA GLY A 62 10.105 3.037 8.181 1.00 0.00 C ATOM 999 C GLY A 62 9.472 2.147 7.130 1.00 0.00 C ATOM 1000 O GLY A 62 10.171 1.534 6.323 1.00 0.00 O ATOM 0 H GLY A 62 8.415 3.982 8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.459 3.954 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.978 2.536 8.600 1.00 0.00 H new ATOM 1004 N GLY A 63 8.144 2.075 7.140 1.00 0.00 N ATOM 1005 CA GLY A 63 7.436 1.252 6.178 1.00 0.00 C ATOM 1006 C GLY A 63 7.199 1.969 4.864 1.00 0.00 C ATOM 1007 O GLY A 63 7.526 1.447 3.798 1.00 0.00 O ATOM 0 H GLY A 63 7.546 2.573 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.007 0.342 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.478 0.948 6.600 1.00 0.00 H new ATOM 1011 N PHE A 64 6.630 3.169 4.946 1.00 0.00 N ATOM 1012 CA PHE A 64 6.341 3.976 3.764 1.00 0.00 C ATOM 1013 C PHE A 64 5.293 3.302 2.886 1.00 0.00 C ATOM 1014 O PHE A 64 5.489 2.181 2.414 1.00 0.00 O ATOM 1015 CB PHE A 64 7.619 4.230 2.961 1.00 0.00 C ATOM 1016 CG PHE A 64 8.720 4.855 3.769 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.753 6.224 3.976 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.719 4.073 4.325 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.762 6.802 4.722 1.00 0.00 C ATOM 1020 CE2 PHE A 64 10.731 4.645 5.073 1.00 0.00 C ATOM 1021 CZ PHE A 64 10.752 6.012 5.271 1.00 0.00 C ATOM 0 H PHE A 64 6.358 3.607 5.826 1.00 0.00 H new ATOM 0 HA PHE A 64 5.942 4.933 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.973 3.285 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.385 4.879 2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.981 6.847 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.707 3.004 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.776 7.871 4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.504 4.024 5.502 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.542 6.462 5.854 1.00 0.00 H new ATOM 1031 N TYR A 65 4.179 3.993 2.666 1.00 0.00 N ATOM 1032 CA TYR A 65 3.098 3.456 1.844 1.00 0.00 C ATOM 1033 C TYR A 65 2.543 4.519 0.896 1.00 0.00 C ATOM 1034 O TYR A 65 2.909 5.690 0.977 1.00 0.00 O ATOM 1035 CB TYR A 65 1.980 2.903 2.737 1.00 0.00 C ATOM 1036 CG TYR A 65 0.947 3.931 3.140 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.168 4.788 4.211 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.251 4.043 2.445 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.223 5.729 4.577 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.198 4.982 2.804 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.957 5.822 3.871 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.898 6.759 4.231 1.00 0.00 O ATOM 0 H TYR A 65 4.000 4.923 3.044 1.00 0.00 H new ATOM 0 HA TYR A 65 3.504 2.645 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.481 2.088 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.425 2.478 3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.092 4.718 4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.445 3.385 1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.409 6.388 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.123 5.058 2.252 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.671 6.694 3.632 1.00 0.00 H new ATOM 1052 N MET A 66 1.656 4.097 -0.003 1.00 0.00 N ATOM 1053 CA MET A 66 1.039 5.003 -0.972 1.00 0.00 C ATOM 1054 C MET A 66 -0.479 4.886 -0.923 1.00 0.00 C ATOM 1055 O MET A 66 -1.021 3.800 -0.715 1.00 0.00 O ATOM 1056 CB MET A 66 1.538 4.690 -2.382 1.00 0.00 C ATOM 1057 CG MET A 66 3.035 4.433 -2.459 1.00 0.00 C ATOM 1058 SD MET A 66 3.655 4.415 -4.152 1.00 0.00 S ATOM 1059 CE MET A 66 2.512 3.275 -4.927 1.00 0.00 C ATOM 0 H MET A 66 1.347 3.128 -0.081 1.00 0.00 H new ATOM 0 HA MET A 66 1.320 6.024 -0.713 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.008 3.815 -2.759 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.287 5.522 -3.040 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.561 5.202 -1.893 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.260 3.478 -1.984 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.061 2.596 -5.579 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.993 2.701 -4.159 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.784 3.833 -5.516 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.162 6.010 -1.116 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.619 6.030 -1.090 1.00 0.00 C ATOM 1071 C ALA A 67 -3.184 6.826 -2.263 1.00 0.00 C ATOM 1072 O ALA A 67 -2.835 7.991 -2.454 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.115 6.608 0.226 1.00 0.00 C ATOM 0 H ALA A 67 -0.730 6.917 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.970 5.002 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.205 6.617 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.753 5.996 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.743 7.626 0.339 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.065 6.204 -3.069 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.681 6.865 -4.224 1.00 0.00 C ATOM 1081 C PRO A 68 -5.451 8.118 -3.819 1.00 0.00 C ATOM 1082 O PRO A 68 -5.788 8.297 -2.648 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.634 5.806 -4.788 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.122 4.508 -4.265 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.528 4.812 -2.920 1.00 0.00 C ATOM 0 HA PRO A 68 -3.937 7.202 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.659 5.985 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.637 5.819 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.926 3.777 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.374 4.084 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.264 4.715 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.707 4.137 -2.680 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.727 8.984 -4.789 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.451 10.223 -4.521 1.00 0.00 C ATOM 1095 C ASP A 69 -7.906 10.130 -4.973 1.00 0.00 C ATOM 1096 O ASP A 69 -8.241 10.505 -6.096 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.763 11.396 -5.220 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.379 12.732 -4.850 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.955 13.322 -3.835 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.288 13.187 -5.577 1.00 0.00 O ATOM 0 H ASP A 69 -5.462 8.852 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.443 10.387 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.705 11.402 -4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.823 11.258 -6.300 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.766 9.624 -4.091 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.187 9.494 -4.396 1.00 0.00 C ATOM 1107 C LEU A 70 -11.037 9.850 -3.180 1.00 0.00 C ATOM 1108 O LEU A 70 -11.020 9.145 -2.171 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.511 8.070 -4.858 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.713 7.581 -6.069 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.977 6.103 -6.317 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.056 8.399 -7.304 1.00 0.00 C ATOM 0 H LEU A 70 -8.503 9.298 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.422 10.189 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.335 7.387 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.573 8.015 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.652 7.712 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.402 5.771 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.679 5.528 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.039 5.950 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.478 8.035 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.120 8.302 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.816 9.447 -7.124 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.777 10.949 -3.284 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.633 11.401 -2.194 1.00 0.00 C ATOM 1126 C ALA A 71 -13.997 10.724 -2.246 1.00 0.00 C ATOM 1127 O ALA A 71 -14.409 10.212 -3.287 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.791 12.914 -2.241 1.00 0.00 C ATOM 0 H ALA A 71 -11.801 11.543 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.157 11.124 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.433 13.238 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.813 13.385 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -13.241 13.204 -3.191 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.695 10.726 -1.114 1.00 0.00 N ATOM 1135 CA GLY A 72 -16.008 10.111 -1.048 1.00 0.00 C ATOM 1136 C GLY A 72 -15.943 8.625 -0.754 1.00 0.00 C ATOM 1137 O GLY A 72 -15.024 8.156 -0.083 1.00 0.00 O ATOM 0 H GLY A 72 -14.374 11.143 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.598 10.605 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.526 10.268 -1.994 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.923 7.884 -1.261 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.985 6.447 -1.057 1.00 0.00 C ATOM 1143 C ARG A 73 -17.014 5.719 -2.394 1.00 0.00 C ATOM 1144 O ARG A 73 -17.810 6.041 -3.276 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.218 6.078 -0.228 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.524 6.584 -0.818 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.708 6.234 0.068 1.00 0.00 C ATOM 1148 NE ARG A 73 -20.875 4.791 0.217 1.00 0.00 N ATOM 1149 CZ ARG A 73 -21.541 4.224 1.218 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -22.093 4.977 2.161 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -21.656 2.904 1.278 1.00 0.00 N ATOM 0 H ARG A 73 -17.689 8.261 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.093 6.139 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.269 4.993 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.103 6.482 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.472 7.665 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.669 6.152 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.571 6.686 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.616 6.662 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.457 4.183 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.007 5.992 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.604 4.540 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.233 2.322 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.167 2.471 2.047 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.138 4.738 -2.530 1.00 0.00 N ATOM 1166 CA LEU A 74 -16.043 3.956 -3.754 1.00 0.00 C ATOM 1167 C LEU A 74 -16.091 2.461 -3.450 1.00 0.00 C ATOM 1168 O LEU A 74 -15.375 1.971 -2.578 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.756 4.297 -4.509 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.465 4.165 -3.694 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -12.276 3.945 -4.616 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.249 5.402 -2.833 1.00 0.00 C ATOM 0 H LEU A 74 -15.478 4.462 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.898 4.208 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.683 3.648 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.831 5.320 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.558 3.300 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.367 3.853 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.426 3.032 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.181 4.792 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.328 5.291 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.175 6.282 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.089 5.520 -2.148 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.942 1.746 -4.178 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.091 0.307 -3.990 1.00 0.00 C ATOM 1186 C GLU A 75 -15.808 -0.430 -4.358 1.00 0.00 C ATOM 1187 O GLU A 75 -15.408 -0.467 -5.522 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.259 -0.221 -4.827 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.192 0.183 -6.291 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.314 -0.418 -7.114 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.410 0.179 -7.152 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.095 -1.487 -7.723 1.00 0.00 O ATOM 0 H GLU A 75 -17.540 2.140 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.299 0.125 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.280 -1.309 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.194 0.143 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.233 1.270 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.234 -0.129 -6.707 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.166 -1.014 -3.352 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.933 -1.759 -3.560 1.00 0.00 C ATOM 1201 C ILE A 76 -14.066 -3.187 -3.037 1.00 0.00 C ATOM 1202 O ILE A 76 -14.054 -3.428 -1.830 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.729 -1.053 -2.890 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.125 -0.021 -3.847 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.676 -2.063 -2.452 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.265 -0.625 -4.938 1.00 0.00 C ATOM 0 H ILE A 76 -15.481 -0.985 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.750 -1.797 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.086 -0.537 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.932 0.549 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.524 0.684 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.842 -1.540 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.114 -2.759 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.317 -2.615 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.874 0.169 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.436 -1.171 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.866 -1.308 -5.538 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.214 -4.128 -3.961 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.347 -5.535 -3.603 1.00 0.00 C ATOM 1220 C GLU A 77 -12.980 -6.149 -3.344 1.00 0.00 C ATOM 1221 O GLU A 77 -12.075 -6.044 -4.169 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.067 -6.305 -4.711 1.00 0.00 C ATOM 1223 CG GLU A 77 -16.456 -5.769 -5.018 1.00 0.00 C ATOM 1224 CD GLU A 77 -17.166 -6.572 -6.090 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.017 -6.233 -7.283 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -17.874 -7.538 -5.736 1.00 0.00 O ATOM 0 H GLU A 77 -14.245 -3.943 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.940 -5.601 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.464 -6.269 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.146 -7.353 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.054 -5.777 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.378 -4.730 -5.339 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.837 -6.796 -2.198 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.580 -7.405 -1.823 1.00 0.00 C ATOM 1235 C VAL A 78 -11.564 -8.891 -2.155 1.00 0.00 C ATOM 1236 O VAL A 78 -12.050 -9.708 -1.373 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.338 -7.230 -0.317 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.972 -7.740 0.062 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.501 -5.772 0.087 1.00 0.00 C ATOM 0 H VAL A 78 -13.583 -6.911 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.792 -6.909 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.083 -7.817 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.818 -7.608 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.897 -8.798 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.211 -7.183 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.325 -5.669 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.782 -5.161 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.512 -5.440 -0.148 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.016 -9.250 -3.316 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.948 -10.651 -3.717 1.00 0.00 C ATOM 1251 C ASN A 79 -9.803 -11.362 -3.008 1.00 0.00 C ATOM 1252 O ASN A 79 -9.348 -12.419 -3.445 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.756 -10.753 -5.230 1.00 0.00 C ATOM 1254 CG ASN A 79 -11.262 -9.525 -5.957 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.440 -8.484 -5.989 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -12.380 -9.508 -6.472 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.617 -8.595 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.885 -11.132 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.698 -10.893 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.279 -11.634 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.977 -10.333 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.709 -8.669 -6.949 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.345 -10.777 -1.906 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.260 -11.368 -1.151 1.00 0.00 C ATOM 1265 C GLY A 80 -8.786 -12.271 -0.058 1.00 0.00 C ATOM 1266 O GLY A 80 -8.063 -13.111 0.478 1.00 0.00 O ATOM 0 H GLY A 80 -9.707 -9.904 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.616 -11.939 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.647 -10.581 -0.713 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.061 -12.087 0.265 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.725 -12.880 1.286 1.00 0.00 C ATOM 1272 C ASN A 81 -12.242 -12.817 1.117 1.00 0.00 C ATOM 1273 O ASN A 81 -12.991 -13.216 2.008 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.330 -12.394 2.679 1.00 0.00 C ATOM 1275 CG ASN A 81 -10.782 -10.974 2.944 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -11.873 -10.748 3.465 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.941 -10.010 2.591 1.00 0.00 N ATOM 0 H ASN A 81 -10.659 -11.386 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.407 -13.916 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.763 -13.056 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.247 -12.454 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.189 -9.033 2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.046 -10.246 2.162 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.690 -12.317 -0.036 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.113 -12.224 -0.305 1.00 0.00 C ATOM 1286 C GLY A 82 -14.797 -11.100 0.446 1.00 0.00 C ATOM 1287 O GLY A 82 -16.023 -11.084 0.556 1.00 0.00 O ATOM 0 H GLY A 82 -12.090 -11.975 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.264 -12.080 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.587 -13.169 -0.040 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.018 -10.157 0.967 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.585 -9.039 1.708 1.00 0.00 C ATOM 1293 C PHE A 83 -15.011 -7.911 0.777 1.00 0.00 C ATOM 1294 O PHE A 83 -14.211 -7.046 0.425 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.586 -8.511 2.741 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.009 -7.215 3.377 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.215 -7.118 4.054 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.202 -6.092 3.291 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.606 -5.926 4.634 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.589 -4.897 3.868 1.00 0.00 C ATOM 1301 CZ PHE A 83 -14.792 -4.814 4.540 1.00 0.00 C ATOM 0 H PHE A 83 -13.001 -10.145 0.890 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.471 -9.408 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.450 -9.261 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.618 -8.372 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.856 -7.984 4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.259 -6.151 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.547 -5.864 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.951 -4.029 3.793 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.096 -3.881 4.991 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.274 -7.932 0.375 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.807 -6.890 -0.487 1.00 0.00 C ATOM 1313 C ARG A 84 -17.235 -5.707 0.369 1.00 0.00 C ATOM 1314 O ARG A 84 -18.199 -5.801 1.129 1.00 0.00 O ATOM 1315 CB ARG A 84 -17.991 -7.414 -1.303 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.643 -6.356 -2.179 1.00 0.00 C ATOM 1317 CD ARG A 84 -19.683 -6.963 -3.106 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.700 -7.713 -2.374 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.654 -8.427 -2.963 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -21.726 -8.482 -4.286 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.540 -9.087 -2.228 1.00 0.00 N ATOM 0 H ARG A 84 -16.945 -8.656 0.631 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.033 -6.573 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.652 -8.236 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.739 -7.821 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.112 -5.600 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.879 -5.850 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.162 -6.171 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.190 -7.623 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.677 -7.688 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.048 -7.975 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -22.459 -9.031 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.489 -9.047 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.272 -9.635 -2.681 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.519 -4.595 0.248 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.854 -3.433 1.053 1.00 0.00 C ATOM 1337 C GLY A 85 -16.345 -2.126 0.484 1.00 0.00 C ATOM 1338 O GLY A 85 -15.231 -2.052 -0.033 1.00 0.00 O ATOM 0 H GLY A 85 -15.725 -4.476 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.937 -3.375 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.444 -3.566 2.054 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.169 -1.087 0.587 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.806 0.235 0.098 1.00 0.00 C ATOM 1344 C GLU A 86 -15.794 0.876 1.041 1.00 0.00 C ATOM 1345 O GLU A 86 -15.953 0.819 2.261 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.045 1.127 -0.018 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.128 0.568 -0.928 1.00 0.00 C ATOM 1348 CD GLU A 86 -19.816 -0.651 -0.343 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.713 -0.475 0.508 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -19.459 -1.781 -0.737 1.00 0.00 O ATOM 0 H GLU A 86 -18.097 -1.138 1.007 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.361 0.128 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.464 1.280 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.742 2.106 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.871 1.342 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.688 0.305 -1.890 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.757 1.484 0.479 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.727 2.120 1.290 1.00 0.00 C ATOM 1359 C LEU A 87 -13.064 3.265 0.531 1.00 0.00 C ATOM 1360 O LEU A 87 -12.975 3.240 -0.696 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.678 1.085 1.707 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.780 1.497 2.874 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.614 1.829 4.103 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.783 0.393 3.188 1.00 0.00 C ATOM 0 H LEU A 87 -14.607 1.550 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.198 2.533 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.190 0.160 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.048 0.864 0.846 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.228 2.392 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.956 2.120 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.291 2.652 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.194 0.954 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.150 0.700 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.320 -0.517 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.163 0.203 2.312 1.00 0.00 H new ATOM 1376 N SER A 88 -12.601 4.268 1.271 1.00 0.00 N ATOM 1377 CA SER A 88 -11.948 5.425 0.668 1.00 0.00 C ATOM 1378 C SER A 88 -10.564 5.054 0.148 1.00 0.00 C ATOM 1379 O SER A 88 -9.979 4.059 0.575 1.00 0.00 O ATOM 1380 CB SER A 88 -11.839 6.564 1.684 1.00 0.00 C ATOM 1381 OG SER A 88 -11.080 6.169 2.813 1.00 0.00 O ATOM 0 H SER A 88 -12.666 4.303 2.288 1.00 0.00 H new ATOM 0 HA SER A 88 -12.556 5.759 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.374 7.431 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.836 6.869 2.001 1.00 0.00 H new ATOM 0 HG SER A 88 -11.024 6.915 3.446 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.045 5.862 -0.770 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.729 5.616 -1.348 1.00 0.00 C ATOM 1389 C ALA A 89 -7.640 5.678 -0.286 1.00 0.00 C ATOM 1390 O ALA A 89 -6.498 5.287 -0.531 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.443 6.619 -2.452 1.00 0.00 C ATOM 0 H ALA A 89 -10.515 6.693 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.730 4.612 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.457 6.424 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.198 6.526 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.468 7.629 -2.042 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.997 6.168 0.895 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.049 6.275 1.992 1.00 0.00 C ATOM 1399 C ASP A 90 -6.931 4.947 2.726 1.00 0.00 C ATOM 1400 O ASP A 90 -5.852 4.366 2.801 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.482 7.375 2.963 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.562 7.479 4.165 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.500 8.125 4.045 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.905 6.914 5.225 1.00 0.00 O ATOM 0 H ASP A 90 -8.937 6.497 1.115 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.074 6.533 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.501 8.331 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.499 7.177 3.303 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.052 4.466 3.256 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.070 3.204 3.988 1.00 0.00 C ATOM 1411 C ALA A 91 -7.942 2.013 3.046 1.00 0.00 C ATOM 1412 O ALA A 91 -7.738 0.882 3.488 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.343 3.088 4.817 1.00 0.00 C ATOM 0 H ALA A 91 -8.958 4.930 3.192 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.210 3.196 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.341 2.141 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.390 3.912 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.211 3.128 4.159 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.058 2.269 1.746 1.00 0.00 N ATOM 1420 CA ALA A 92 -7.949 1.212 0.748 1.00 0.00 C ATOM 1421 C ALA A 92 -6.533 1.150 0.194 1.00 0.00 C ATOM 1422 O ALA A 92 -6.014 0.071 -0.090 1.00 0.00 O ATOM 1423 CB ALA A 92 -8.952 1.432 -0.373 1.00 0.00 C ATOM 0 H ALA A 92 -8.227 3.198 1.360 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.174 0.259 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.856 0.634 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.962 1.429 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.758 2.392 -0.852 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.913 2.317 0.044 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.556 2.369 -0.456 1.00 0.00 C ATOM 1431 C GLY A 93 -3.609 1.605 0.444 1.00 0.00 C ATOM 1432 O GLY A 93 -2.515 1.223 0.032 1.00 0.00 O ATOM 0 H GLY A 93 -6.327 3.224 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.521 1.952 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.233 3.407 -0.530 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.044 1.383 1.681 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.245 0.651 2.656 1.00 0.00 C ATOM 1438 C ILE A 94 -3.108 -0.807 2.238 1.00 0.00 C ATOM 1439 O ILE A 94 -2.049 -1.416 2.391 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.875 0.699 4.065 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.560 2.047 4.319 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.817 0.430 5.126 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.638 3.239 4.184 1.00 0.00 C ATOM 0 H ILE A 94 -4.948 1.701 2.032 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.267 1.130 2.691 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.636 -0.079 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.388 2.160 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.988 2.043 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.275 0.467 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.382 -0.556 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.035 1.187 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.196 4.155 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.823 3.152 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.230 3.271 3.174 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.195 -1.355 1.706 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.230 -2.739 1.260 1.00 0.00 C ATOM 1457 C VAL A 95 -3.626 -2.884 -0.134 1.00 0.00 C ATOM 1458 O VAL A 95 -3.154 -3.959 -0.508 1.00 0.00 O ATOM 1459 CB VAL A 95 -5.679 -3.267 1.245 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -5.724 -4.715 0.787 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.314 -3.114 2.619 1.00 0.00 C ATOM 0 H VAL A 95 -5.073 -0.853 1.573 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.638 -3.325 1.963 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.252 -2.673 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.757 -5.064 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.313 -4.791 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.134 -5.330 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.336 -3.491 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.738 -3.680 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.323 -2.061 2.900 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.635 -1.796 -0.898 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.095 -1.808 -2.254 1.00 0.00 C ATOM 1473 C ALA A 96 -1.586 -2.036 -2.259 1.00 0.00 C ATOM 1474 O ALA A 96 -1.080 -2.879 -3.000 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.433 -0.506 -2.963 1.00 0.00 C ATOM 0 H ALA A 96 -4.010 -0.895 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.556 -2.639 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.025 -0.526 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.516 -0.388 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.001 0.330 -2.414 1.00 0.00 H new ATOM 1481 N THR A 97 -0.871 -1.281 -1.429 1.00 0.00 N ATOM 1482 CA THR A 97 0.582 -1.399 -1.349 1.00 0.00 C ATOM 1483 C THR A 97 1.007 -2.577 -0.480 1.00 0.00 C ATOM 1484 O THR A 97 1.994 -3.246 -0.781 1.00 0.00 O ATOM 1485 CB THR A 97 1.233 -0.110 -0.812 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.561 -0.387 -0.349 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.411 0.493 0.312 1.00 0.00 C ATOM 0 H THR A 97 -1.273 -0.583 -0.804 1.00 0.00 H new ATOM 0 HA THR A 97 0.929 -1.570 -2.368 1.00 0.00 H new ATOM 0 HB THR A 97 1.276 0.612 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.968 0.438 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.896 1.401 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.586 0.735 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.332 -0.223 1.130 1.00 0.00 H new ATOM 1495 N LEU A 98 0.274 -2.823 0.603 1.00 0.00 N ATOM 1496 CA LEU A 98 0.590 -3.927 1.494 1.00 0.00 C ATOM 1497 C LEU A 98 0.794 -5.219 0.712 1.00 0.00 C ATOM 1498 O LEU A 98 1.826 -5.878 0.840 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.531 -4.112 2.514 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.074 -4.642 3.868 1.00 0.00 C ATOM 1501 CD1 LEU A 98 0.364 -3.499 4.770 1.00 0.00 C ATOM 1502 CD2 LEU A 98 -1.177 -5.452 4.525 1.00 0.00 C ATOM 0 H LEU A 98 -0.539 -2.273 0.881 1.00 0.00 H new ATOM 0 HA LEU A 98 1.518 -3.689 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.031 -3.155 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.271 -4.797 2.101 1.00 0.00 H new ATOM 0 HG LEU A 98 0.782 -5.298 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.687 -3.898 5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.191 -2.964 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.471 -2.815 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.831 -5.822 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.054 -4.821 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.439 -6.295 3.886 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.198 -5.577 -0.100 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.120 -6.789 -0.909 1.00 0.00 C ATOM 1516 C PHE A 99 1.083 -6.741 -1.843 1.00 0.00 C ATOM 1517 O PHE A 99 1.700 -7.767 -2.128 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.407 -6.976 -1.715 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.480 -7.711 -0.964 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.382 -7.028 -0.162 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -2.584 -9.090 -1.060 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.366 -7.709 0.528 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -3.566 -9.774 -0.371 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.458 -9.083 0.424 1.00 0.00 C ATOM 0 H PHE A 99 -1.062 -5.047 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 99 0.001 -7.639 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.786 -5.998 -2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.177 -7.520 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.314 -5.954 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.889 -9.636 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.064 -7.167 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.636 -10.849 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.227 -9.616 0.964 1.00 0.00 H new ATOM 1534 N ALA A 100 1.409 -5.543 -2.315 1.00 0.00 N ATOM 1535 CA ALA A 100 2.546 -5.359 -3.206 1.00 0.00 C ATOM 1536 C ALA A 100 3.830 -5.844 -2.544 1.00 0.00 C ATOM 1537 O ALA A 100 4.655 -6.507 -3.174 1.00 0.00 O ATOM 1538 CB ALA A 100 2.669 -3.897 -3.607 1.00 0.00 C ATOM 0 H ALA A 100 0.902 -4.686 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 100 2.382 -5.953 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.523 -3.773 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.760 -3.583 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.812 -3.286 -2.716 1.00 0.00 H new ATOM 1544 N LEU A 101 3.992 -5.505 -1.268 1.00 0.00 N ATOM 1545 CA LEU A 101 5.168 -5.913 -0.508 1.00 0.00 C ATOM 1546 C LEU A 101 5.292 -7.433 -0.476 1.00 0.00 C ATOM 1547 O LEU A 101 6.387 -7.981 -0.606 1.00 0.00 O ATOM 1548 CB LEU A 101 5.088 -5.376 0.926 1.00 0.00 C ATOM 1549 CG LEU A 101 4.950 -3.856 1.051 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.744 -3.461 2.507 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.171 -3.157 0.474 1.00 0.00 C ATOM 0 H LEU A 101 3.322 -4.948 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 101 6.048 -5.498 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.238 -5.843 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.984 -5.688 1.463 1.00 0.00 H new ATOM 0 HG LEU A 101 4.077 -3.541 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.648 -2.378 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.838 -3.932 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.599 -3.790 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.053 -2.078 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.062 -3.476 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.274 -3.416 -0.580 1.00 0.00 H new ATOM 1563 N GLY A 102 4.158 -8.106 -0.304 1.00 0.00 N ATOM 1564 CA GLY A 102 4.153 -9.558 -0.250 1.00 0.00 C ATOM 1565 C GLY A 102 4.469 -10.204 -1.585 1.00 0.00 C ATOM 1566 O GLY A 102 4.995 -11.316 -1.629 1.00 0.00 O ATOM 0 H GLY A 102 3.241 -7.671 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.882 -9.891 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.175 -9.900 0.090 1.00 0.00 H new ATOM 1570 N GLN A 103 4.147 -9.514 -2.676 1.00 0.00 N ATOM 1571 CA GLN A 103 4.401 -10.044 -4.011 1.00 0.00 C ATOM 1572 C GLN A 103 5.879 -9.932 -4.373 1.00 0.00 C ATOM 1573 O GLN A 103 6.480 -10.886 -4.864 1.00 0.00 O ATOM 1574 CB GLN A 103 3.552 -9.310 -5.051 1.00 0.00 C ATOM 1575 CG GLN A 103 3.489 -10.024 -6.392 1.00 0.00 C ATOM 1576 CD GLN A 103 2.661 -9.275 -7.418 1.00 0.00 C ATOM 1577 OE1 GLN A 103 3.319 -8.438 -8.211 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.445 -9.452 -7.502 1.00 0.00 N flip ATOM 0 H GLN A 103 3.712 -8.592 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 103 4.125 -11.099 -4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.540 -9.190 -4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.957 -8.309 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.501 -10.157 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.069 -11.019 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.980 -10.105 -6.872 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.903 -8.945 -8.202 1.00 0.00 H new ATOM 1587 N LEU A 104 6.460 -8.761 -4.122 1.00 0.00 N ATOM 1588 CA LEU A 104 7.869 -8.526 -4.421 1.00 0.00 C ATOM 1589 C LEU A 104 8.750 -9.530 -3.686 1.00 0.00 C ATOM 1590 O LEU A 104 9.674 -10.103 -4.264 1.00 0.00 O ATOM 1591 CB LEU A 104 8.266 -7.101 -4.027 1.00 0.00 C ATOM 1592 CG LEU A 104 7.654 -5.994 -4.889 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.928 -4.630 -4.277 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.194 -6.063 -6.310 1.00 0.00 C ATOM 0 H LEU A 104 5.977 -7.961 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 104 8.015 -8.652 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.977 -6.934 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.352 -7.017 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 104 6.575 -6.143 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.486 -3.855 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.491 -4.584 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.004 -4.471 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.748 -5.268 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.277 -5.940 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.945 -7.030 -6.747 1.00 0.00 H new ATOM 1606 N ALA A 105 8.454 -9.734 -2.408 1.00 0.00 N ATOM 1607 CA ALA A 105 9.210 -10.668 -1.584 1.00 0.00 C ATOM 1608 C ALA A 105 9.168 -12.077 -2.169 1.00 0.00 C ATOM 1609 O ALA A 105 10.136 -12.830 -2.072 1.00 0.00 O ATOM 1610 CB ALA A 105 8.667 -10.672 -0.164 1.00 0.00 C ATOM 0 H ALA A 105 7.693 -9.263 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 105 10.249 -10.340 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.240 -11.374 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.752 -9.672 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.620 -10.974 -0.176 1.00 0.00 H new ATOM 1616 N ALA A 106 8.037 -12.424 -2.776 1.00 0.00 N ATOM 1617 CA ALA A 106 7.859 -13.746 -3.368 1.00 0.00 C ATOM 1618 C ALA A 106 8.499 -13.839 -4.750 1.00 0.00 C ATOM 1619 O ALA A 106 8.883 -14.921 -5.192 1.00 0.00 O ATOM 1620 CB ALA A 106 6.379 -14.087 -3.451 1.00 0.00 C ATOM 0 H ALA A 106 7.230 -11.808 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 106 8.361 -14.468 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.258 -15.075 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.948 -14.083 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.869 -13.347 -4.069 1.00 0.00 H new ATOM 1626 N GLU A 107 8.615 -12.701 -5.428 1.00 0.00 N ATOM 1627 CA GLU A 107 9.204 -12.662 -6.757 1.00 0.00 C ATOM 1628 C GLU A 107 10.668 -13.090 -6.725 1.00 0.00 C ATOM 1629 O GLU A 107 11.150 -13.756 -7.640 1.00 0.00 O ATOM 1630 CB GLU A 107 9.082 -11.255 -7.338 1.00 0.00 C ATOM 1631 CG GLU A 107 7.657 -10.861 -7.692 1.00 0.00 C ATOM 1632 CD GLU A 107 7.014 -11.814 -8.680 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.182 -11.606 -9.900 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.343 -12.769 -8.234 1.00 0.00 O ATOM 0 H GLU A 107 8.308 -11.794 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 107 8.662 -13.364 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.479 -10.539 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.701 -11.186 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.057 -10.828 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.656 -9.855 -8.111 1.00 0.00 H new ATOM 1750 N LEU A 117 12.865 -7.303 2.987 1.00 0.00 N ATOM 1751 CA LEU A 117 11.945 -6.257 2.559 1.00 0.00 C ATOM 1752 C LEU A 117 10.602 -6.423 3.258 1.00 0.00 C ATOM 1753 O LEU A 117 9.792 -5.497 3.302 1.00 0.00 O ATOM 1754 CB LEU A 117 11.774 -6.270 1.027 1.00 0.00 C ATOM 1755 CG LEU A 117 10.862 -7.360 0.435 1.00 0.00 C ATOM 1756 CD1 LEU A 117 11.169 -8.721 1.040 1.00 0.00 C ATOM 1757 CD2 LEU A 117 9.394 -7.001 0.618 1.00 0.00 C ATOM 0 HA LEU A 117 12.363 -5.290 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.384 -5.299 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.761 -6.373 0.577 1.00 0.00 H new ATOM 0 HG LEU A 117 11.064 -7.418 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.509 -9.471 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.206 -8.985 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.012 -8.684 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.771 -7.787 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.174 -6.900 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.184 -6.058 0.113 1.00 0.00 H new ATOM 1769 N ILE A 118 10.379 -7.614 3.804 1.00 0.00 N ATOM 1770 CA ILE A 118 9.142 -7.915 4.507 1.00 0.00 C ATOM 1771 C ILE A 118 8.969 -6.984 5.702 1.00 0.00 C ATOM 1772 O ILE A 118 7.850 -6.726 6.148 1.00 0.00 O ATOM 1773 CB ILE A 118 9.116 -9.386 4.979 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.892 -10.322 3.789 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.042 -9.598 6.037 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.570 -10.107 3.081 1.00 0.00 C ATOM 0 H ILE A 118 11.043 -8.388 3.772 1.00 0.00 H new ATOM 0 HA ILE A 118 8.316 -7.761 3.812 1.00 0.00 H new ATOM 0 HB ILE A 118 10.082 -9.619 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.703 -10.185 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.944 -11.354 4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.044 -10.641 6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.246 -8.958 6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.067 -9.347 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.484 -10.807 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.751 -10.273 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.522 -9.086 2.702 1.00 0.00 H new ATOM 1788 N ASP A 119 10.089 -6.480 6.206 1.00 0.00 N ATOM 1789 CA ASP A 119 10.084 -5.569 7.341 1.00 0.00 C ATOM 1790 C ASP A 119 9.076 -4.444 7.134 1.00 0.00 C ATOM 1791 O ASP A 119 8.289 -4.130 8.027 1.00 0.00 O ATOM 1792 CB ASP A 119 11.478 -4.979 7.537 1.00 0.00 C ATOM 1793 CG ASP A 119 12.300 -5.753 8.549 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.221 -5.425 9.752 1.00 0.00 O ATOM 1795 OD2 ASP A 119 13.021 -6.686 8.140 1.00 0.00 O ATOM 0 H ASP A 119 11.019 -6.690 5.842 1.00 0.00 H new ATOM 0 HA ASP A 119 9.796 -6.131 8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.002 -4.968 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.388 -3.943 7.863 1.00 0.00 H new ATOM 1800 N ARG A 120 9.111 -3.846 5.949 1.00 0.00 N ATOM 1801 CA ARG A 120 8.208 -2.750 5.614 1.00 0.00 C ATOM 1802 C ARG A 120 6.753 -3.163 5.808 1.00 0.00 C ATOM 1803 O ARG A 120 5.931 -2.371 6.270 1.00 0.00 O ATOM 1804 CB ARG A 120 8.433 -2.295 4.169 1.00 0.00 C ATOM 1805 CG ARG A 120 9.741 -1.545 3.953 1.00 0.00 C ATOM 1806 CD ARG A 120 10.949 -2.454 4.117 1.00 0.00 C ATOM 1807 NE ARG A 120 12.197 -1.771 3.787 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.402 -2.278 4.031 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.521 -3.466 4.608 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.489 -1.597 3.697 1.00 0.00 N ATOM 0 H ARG A 120 9.757 -4.102 5.202 1.00 0.00 H new ATOM 0 HA ARG A 120 8.424 -1.919 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.415 -3.168 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.604 -1.654 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.748 -1.108 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.808 -0.720 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.994 -2.815 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.834 -3.329 3.477 1.00 0.00 H new ATOM 0 HE ARG A 120 12.141 -0.854 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.687 -3.994 4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.447 -3.852 4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.402 -0.683 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.413 -1.987 3.885 1.00 0.00 H new ATOM 1824 N TYR A 121 6.444 -4.404 5.449 1.00 0.00 N ATOM 1825 CA TYR A 121 5.087 -4.922 5.584 1.00 0.00 C ATOM 1826 C TYR A 121 4.611 -4.834 7.030 1.00 0.00 C ATOM 1827 O TYR A 121 3.531 -4.314 7.306 1.00 0.00 O ATOM 1828 CB TYR A 121 5.021 -6.374 5.098 1.00 0.00 C ATOM 1829 CG TYR A 121 3.630 -6.972 5.131 1.00 0.00 C ATOM 1830 CD1 TYR A 121 3.044 -7.358 6.330 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.906 -7.152 3.960 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.776 -7.907 6.361 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.638 -7.700 3.982 1.00 0.00 C ATOM 1834 CZ TYR A 121 1.078 -8.075 5.185 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.185 -8.621 5.211 1.00 0.00 O ATOM 0 H TYR A 121 7.114 -5.069 5.063 1.00 0.00 H new ATOM 0 HA TYR A 121 4.429 -4.310 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.402 -6.423 4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.682 -6.983 5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.588 -7.227 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.341 -6.859 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.335 -8.203 7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.088 -7.834 3.062 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.539 -8.670 4.299 1.00 0.00 H new ATOM 1845 N HIS A 122 5.423 -5.347 7.947 1.00 0.00 N ATOM 1846 CA HIS A 122 5.084 -5.334 9.367 1.00 0.00 C ATOM 1847 C HIS A 122 4.919 -3.910 9.884 1.00 0.00 C ATOM 1848 O HIS A 122 4.095 -3.650 10.762 1.00 0.00 O ATOM 1849 CB HIS A 122 6.166 -6.049 10.177 1.00 0.00 C ATOM 1850 CG HIS A 122 6.297 -7.504 9.852 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.966 -8.129 8.856 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 5.698 -8.500 10.594 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 6.762 -9.478 9.014 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 5.995 -9.675 10.070 1.00 0.00 N flip ATOM 0 H HIS A 122 6.322 -5.778 7.733 1.00 0.00 H new ATOM 0 HA HIS A 122 4.135 -5.857 9.485 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.123 -5.559 10.001 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.944 -5.941 11.239 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.082 -8.343 11.467 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.164 -10.252 8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 122 5.685 -10.581 10.421 1.00 0.00 H new ATOM 1863 N PHE A 123 5.706 -2.993 9.336 1.00 0.00 N ATOM 1864 CA PHE A 123 5.654 -1.595 9.751 1.00 0.00 C ATOM 1865 C PHE A 123 4.307 -0.965 9.411 1.00 0.00 C ATOM 1866 O PHE A 123 3.626 -0.428 10.286 1.00 0.00 O ATOM 1867 CB PHE A 123 6.788 -0.802 9.096 1.00 0.00 C ATOM 1868 CG PHE A 123 8.160 -1.369 9.358 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.405 -2.153 10.478 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.203 -1.117 8.483 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.663 -2.672 10.715 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.464 -1.634 8.716 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.693 -2.412 9.834 1.00 0.00 C ATOM 0 H PHE A 123 6.388 -3.191 8.604 1.00 0.00 H new ATOM 0 HA PHE A 123 5.778 -1.564 10.834 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.619 -0.767 8.020 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.755 0.226 9.457 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.603 -2.359 11.171 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.029 -0.509 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.840 -3.281 11.589 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.269 -1.430 8.025 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.677 -2.817 10.019 1.00 0.00 H new ATOM 1883 N LEU A 124 3.927 -1.032 8.139 1.00 0.00 N ATOM 1884 CA LEU A 124 2.658 -0.467 7.693 1.00 0.00 C ATOM 1885 C LEU A 124 1.490 -1.209 8.330 1.00 0.00 C ATOM 1886 O LEU A 124 0.504 -0.600 8.744 1.00 0.00 O ATOM 1887 CB LEU A 124 2.553 -0.531 6.167 1.00 0.00 C ATOM 1888 CG LEU A 124 1.200 -0.106 5.587 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.836 1.299 6.043 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.225 -0.187 4.069 1.00 0.00 C ATOM 0 H LEU A 124 4.478 -1.470 7.401 1.00 0.00 H new ATOM 0 HA LEU A 124 2.619 0.577 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.329 0.103 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.763 -1.552 5.847 1.00 0.00 H new ATOM 0 HG LEU A 124 0.437 -0.791 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.128 1.581 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.776 1.324 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.599 2.000 5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.257 0.118 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.000 0.474 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.436 -1.212 3.763 1.00 0.00 H new ATOM 1902 N ARG A 125 1.611 -2.531 8.388 1.00 0.00 N ATOM 1903 CA ARG A 125 0.579 -3.377 8.978 1.00 0.00 C ATOM 1904 C ARG A 125 0.119 -2.833 10.330 1.00 0.00 C ATOM 1905 O ARG A 125 -1.058 -2.936 10.677 1.00 0.00 O ATOM 1906 CB ARG A 125 1.100 -4.809 9.140 1.00 0.00 C ATOM 1907 CG ARG A 125 0.149 -5.730 9.888 1.00 0.00 C ATOM 1908 CD ARG A 125 -1.181 -5.871 9.166 1.00 0.00 C ATOM 1909 NE ARG A 125 -2.103 -6.740 9.889 1.00 0.00 N ATOM 1910 CZ ARG A 125 -3.326 -6.372 10.261 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -3.769 -5.153 9.983 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -4.105 -7.224 10.914 1.00 0.00 N ATOM 0 H ARG A 125 2.418 -3.042 8.031 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.278 -3.379 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.295 -5.228 8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 125 2.053 -4.781 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 125 0.608 -6.712 10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.021 -5.340 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.632 -4.887 9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.011 -6.273 8.167 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.792 -7.683 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.171 -4.495 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.707 -4.874 10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.766 -8.161 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.043 -6.942 11.199 1.00 0.00 H new ATOM 1926 N GLY A 126 1.047 -2.257 11.088 1.00 0.00 N ATOM 1927 CA GLY A 126 0.704 -1.715 12.389 1.00 0.00 C ATOM 1928 C GLY A 126 -0.117 -0.445 12.296 1.00 0.00 C ATOM 1929 O GLY A 126 -0.986 -0.199 13.132 1.00 0.00 O ATOM 0 H GLY A 126 2.027 -2.156 10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.147 -2.462 12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.619 -1.511 12.946 1.00 0.00 H new ATOM 1933 N PHE A 127 0.150 0.362 11.273 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.570 1.616 11.083 1.00 0.00 C ATOM 1935 C PHE A 127 -2.014 1.353 10.677 1.00 0.00 C ATOM 1936 O PHE A 127 -2.899 2.172 10.926 1.00 0.00 O ATOM 1937 CB PHE A 127 0.130 2.471 10.024 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.447 3.853 9.886 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.357 4.763 10.928 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -1.077 4.241 8.715 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.883 6.034 10.802 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.606 5.511 8.585 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.509 6.409 9.629 1.00 0.00 C ATOM 0 H PHE A 127 0.858 0.170 10.565 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.573 2.157 12.029 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.188 2.552 10.276 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.069 1.963 9.061 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.130 4.475 11.848 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.156 3.543 7.894 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.805 6.734 11.620 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.095 5.801 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.921 7.402 9.529 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.245 0.205 10.048 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.581 -0.173 9.612 1.00 0.00 C ATOM 1955 C ALA A 128 -4.524 -0.287 10.802 1.00 0.00 C ATOM 1956 O ALA A 128 -5.721 -0.030 10.685 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.535 -1.484 8.843 1.00 0.00 C ATOM 0 H ALA A 128 -1.521 -0.480 9.829 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.959 0.606 8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.542 -1.754 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.895 -1.370 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.136 -2.269 9.485 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.972 -0.672 11.950 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.763 -0.819 13.166 1.00 0.00 C ATOM 1965 C ALA A 129 -5.095 0.542 13.769 1.00 0.00 C ATOM 1966 O ALA A 129 -6.075 0.684 14.501 1.00 0.00 O ATOM 1967 CB ALA A 129 -4.020 -1.679 14.178 1.00 0.00 C ATOM 0 H ALA A 129 -2.981 -0.887 12.062 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.699 -1.312 12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.622 -1.780 15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.836 -2.665 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.069 -1.208 14.427 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.273 1.539 13.456 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.498 2.876 13.972 1.00 0.00 C ATOM 1975 C GLY A 130 -5.550 3.626 13.179 1.00 0.00 C ATOM 1976 O GLY A 130 -6.063 4.653 13.625 1.00 0.00 O ATOM 0 H GLY A 130 -3.455 1.444 12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.808 2.814 15.015 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.562 3.434 13.950 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.868 3.108 11.998 1.00 0.00 N ATOM 1981 CA HIS A 131 -6.865 3.723 11.129 1.00 0.00 C ATOM 1982 C HIS A 131 -8.269 3.557 11.705 1.00 0.00 C ATOM 1983 O HIS A 131 -8.557 2.569 12.381 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.806 3.097 9.734 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.875 3.794 8.793 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.216 4.943 8.113 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.612 3.494 8.410 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.204 5.319 7.351 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.219 4.456 7.514 1.00 0.00 N ATOM 0 H HIS A 131 -5.448 2.260 11.619 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.641 4.787 11.059 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.499 2.055 9.827 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.808 3.097 9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.023 2.654 8.747 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.186 6.185 6.705 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.312 4.497 7.049 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.166 4.527 11.445 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.548 4.470 11.930 1.00 0.00 C ATOM 2000 C PRO A 132 -11.336 3.364 11.236 1.00 0.00 C ATOM 2001 O PRO A 132 -12.461 3.048 11.621 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.115 5.846 11.571 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.276 6.320 10.435 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.903 5.750 10.663 1.00 0.00 C ATOM 0 HA PRO A 132 -10.606 4.248 12.996 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.165 5.779 11.286 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.058 6.530 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.684 5.983 9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.245 7.409 10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.400 5.525 9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.264 6.446 11.208 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.723 2.783 10.209 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.338 1.701 9.451 1.00 0.00 C ATOM 2014 C GLU A 133 -10.484 0.446 9.544 1.00 0.00 C ATOM 2015 O GLU A 133 -10.571 -0.444 8.698 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.519 2.101 7.987 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.624 3.117 7.772 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.209 4.524 8.153 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.332 5.092 7.469 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -12.767 5.061 9.133 1.00 0.00 O ATOM 0 H GLU A 133 -9.794 3.047 9.882 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.320 1.498 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.581 2.510 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.736 1.209 7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.926 3.103 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.496 2.829 8.359 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.656 0.396 10.582 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.767 -0.735 10.817 1.00 0.00 C ATOM 2029 C ALA A 134 -9.469 -2.056 10.541 1.00 0.00 C ATOM 2030 O ALA A 134 -8.918 -2.933 9.878 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.244 -0.704 12.246 1.00 0.00 C ATOM 0 H ALA A 134 -9.583 1.135 11.281 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.926 -0.652 10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.581 -1.554 12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.694 0.222 12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.082 -0.758 12.941 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.684 -2.195 11.059 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.463 -3.409 10.866 1.00 0.00 C ATOM 2039 C ALA A 135 -11.542 -3.802 9.393 1.00 0.00 C ATOM 2040 O ALA A 135 -11.315 -4.957 9.038 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.862 -3.229 11.437 1.00 0.00 C ATOM 0 H ALA A 135 -11.150 -1.480 11.617 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.957 -4.216 11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.436 -4.143 11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.795 -3.013 12.503 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.358 -2.402 10.930 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.869 -2.839 8.539 1.00 0.00 N ATOM 2048 CA ALA A 136 -11.985 -3.098 7.108 1.00 0.00 C ATOM 2049 C ALA A 136 -10.628 -3.377 6.467 1.00 0.00 C ATOM 2050 O ALA A 136 -10.514 -4.221 5.578 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.662 -1.922 6.418 1.00 0.00 C ATOM 0 H ALA A 136 -12.058 -1.874 8.811 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.595 -3.992 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.744 -2.125 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.658 -1.778 6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.070 -1.020 6.572 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.603 -2.663 6.919 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.257 -2.815 6.375 1.00 0.00 C ATOM 2059 C ILE A 137 -7.620 -4.169 6.696 1.00 0.00 C ATOM 2060 O ILE A 137 -7.124 -4.849 5.796 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.331 -1.698 6.889 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.853 -0.333 6.437 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.908 -1.920 6.398 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.151 0.832 7.097 1.00 0.00 C ATOM 0 H ILE A 137 -9.679 -1.970 7.664 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.370 -2.750 5.293 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.322 -1.722 7.979 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.740 -0.250 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -8.920 -0.272 6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.266 -1.122 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.543 -2.880 6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.895 -1.918 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.573 1.767 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.286 0.774 8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.087 0.796 6.862 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.628 -4.563 7.966 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.006 -5.823 8.369 1.00 0.00 C ATOM 2078 C TYR A 138 -7.740 -7.028 7.783 1.00 0.00 C ATOM 2079 O TYR A 138 -7.115 -8.026 7.426 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.926 -5.924 9.898 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.072 -6.669 10.546 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.288 -6.044 10.774 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.930 -7.995 10.933 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.336 -6.720 11.371 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.973 -8.679 11.529 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.174 -8.037 11.747 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.214 -8.713 12.341 1.00 0.00 O ATOM 0 H TYR A 138 -8.053 -4.035 8.728 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.992 -5.832 7.969 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.992 -6.418 10.167 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.885 -4.917 10.313 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.419 -5.013 10.481 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.990 -8.500 10.766 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.277 -6.219 11.542 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.848 -9.711 11.822 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.935 -9.631 12.542 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.062 -6.941 7.689 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.848 -8.034 7.128 1.00 0.00 C ATOM 2099 C ARG A 139 -9.645 -8.109 5.620 1.00 0.00 C ATOM 2100 O ARG A 139 -9.652 -9.190 5.034 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.333 -7.862 7.460 1.00 0.00 C ATOM 2102 CG ARG A 139 -11.985 -6.673 6.772 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.404 -6.453 7.271 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.266 -7.600 7.001 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.530 -7.686 7.406 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.075 -6.699 8.103 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.250 -8.760 7.112 1.00 0.00 N ATOM 0 H ARG A 139 -9.608 -6.134 7.991 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.506 -8.968 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.866 -8.770 7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.443 -7.750 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.392 -5.777 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.998 -6.836 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.385 -6.259 8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.822 -5.566 6.795 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.877 -8.380 6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.525 -5.871 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.045 -6.768 8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.835 -9.521 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.219 -8.825 7.423 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.463 -6.946 5.001 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.245 -6.871 3.563 1.00 0.00 C ATOM 2123 C ALA A 140 -7.948 -7.572 3.176 1.00 0.00 C ATOM 2124 O ALA A 140 -7.846 -8.167 2.104 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.224 -5.422 3.102 1.00 0.00 C ATOM 0 H ALA A 140 -9.462 -6.043 5.475 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.071 -7.381 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.060 -5.385 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.177 -4.951 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.419 -4.890 3.610 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.958 -7.496 4.059 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.666 -8.124 3.813 1.00 0.00 C ATOM 2133 C ILE A 141 -5.626 -9.546 4.367 1.00 0.00 C ATOM 2134 O ILE A 141 -4.811 -10.365 3.943 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.517 -7.312 4.441 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.698 -7.224 5.957 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.461 -5.920 3.827 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.459 -6.762 6.691 1.00 0.00 C ATOM 0 H ILE A 141 -7.026 -7.006 4.951 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.534 -8.154 2.731 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.574 -7.819 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.517 -6.539 6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.991 -8.203 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.645 -5.356 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.294 -6.003 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.404 -5.404 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.663 -6.724 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.643 -7.459 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.177 -5.769 6.340 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.512 -9.830 5.316 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.576 -11.152 5.929 1.00 0.00 C ATOM 2152 C ASP A 142 -7.299 -12.140 5.020 1.00 0.00 C ATOM 2153 O ASP A 142 -8.534 -12.271 5.152 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.283 -11.077 7.284 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.301 -12.412 8.002 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -8.232 -13.207 7.755 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -6.382 -12.663 8.811 1.00 0.00 O ATOM 2158 OXT ASP A 142 -6.624 -12.775 4.182 1.00 0.00 O ATOM 0 H ASP A 142 -7.195 -9.164 5.677 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.555 -11.504 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -6.784 -10.338 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.307 -10.732 7.138 1.00 0.00 H new