USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 58 ASN : amide:sc= -0.566 K(o=0.67,f=-1.4!) USER MOD Set 1.2: A 59 THR OG1 : rot 79:sc= 1.23 USER MOD Set 2.1: A 20 ASN : amide:sc= 0.0349 X(o=-0.021,f=-0.056) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.411 K(o=-0.41,f=-4.7!) USER MOD Single : A 17 GLN : amide:sc= -1.64! C(o=-1.6!,f=-4.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 31:sc=-0.00118 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 11:sc= 1.06 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00338 USER MOD Single : A 72 THR OG1 : rot 162:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= -0.0536 USER MOD Single : A 79 CYS SG : rot -49:sc= -0.373 USER MOD Single : A 85 THR OG1 : rot 105:sc= 1.07 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.486 12.096 4.219 1.00 0.00 N ATOM 77 CA GLU A 8 6.167 12.730 4.081 1.00 0.00 C ATOM 78 C GLU A 8 5.045 11.699 4.011 1.00 0.00 C ATOM 79 O GLU A 8 3.876 12.054 4.082 1.00 0.00 O ATOM 80 CB GLU A 8 6.150 13.630 2.844 1.00 0.00 C ATOM 81 CG GLU A 8 6.362 12.904 1.508 1.00 0.00 C ATOM 82 CD GLU A 8 7.845 12.675 1.211 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.538 13.599 0.722 1.00 0.00 O ATOM 84 OE2 GLU A 8 8.316 11.541 1.426 1.00 0.00 O ATOM 0 HA GLU A 8 5.991 13.336 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.195 14.154 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.925 14.388 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.844 11.945 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.917 13.488 0.703 1.00 0.00 H new ATOM 91 N TYR A 9 5.386 10.419 3.887 1.00 0.00 N ATOM 92 CA TYR A 9 4.405 9.379 3.600 1.00 0.00 C ATOM 93 C TYR A 9 3.386 9.284 4.728 1.00 0.00 C ATOM 94 O TYR A 9 2.198 9.112 4.479 1.00 0.00 O ATOM 95 CB TYR A 9 5.093 8.027 3.391 1.00 0.00 C ATOM 96 CG TYR A 9 6.356 8.054 2.547 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.379 8.706 1.300 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.521 7.440 3.031 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.565 8.756 0.546 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.714 7.518 2.300 1.00 0.00 C ATOM 101 CZ TYR A 9 8.752 8.206 1.076 1.00 0.00 C ATOM 102 OH TYR A 9 9.938 8.378 0.431 1.00 0.00 O ATOM 0 H TYR A 9 6.342 10.076 3.982 1.00 0.00 H new ATOM 0 HA TYR A 9 3.885 9.646 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.340 7.611 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.381 7.346 2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.481 9.170 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.498 6.906 3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.568 9.213 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.609 7.047 2.680 1.00 0.00 H new ATOM 0 HH TYR A 9 10.652 7.935 0.935 1.00 0.00 H new ATOM 112 N GLY A 10 3.836 9.449 5.973 1.00 0.00 N ATOM 113 CA GLY A 10 2.987 9.409 7.145 1.00 0.00 C ATOM 114 C GLY A 10 2.104 10.639 7.321 1.00 0.00 C ATOM 115 O GLY A 10 1.373 10.721 8.305 1.00 0.00 O ATOM 0 H GLY A 10 4.819 9.616 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.352 8.525 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.614 9.296 8.030 1.00 0.00 H new ATOM 119 N ARG A 11 2.160 11.605 6.400 1.00 0.00 N ATOM 120 CA ARG A 11 1.186 12.683 6.323 1.00 0.00 C ATOM 121 C ARG A 11 -0.042 12.230 5.523 1.00 0.00 C ATOM 122 O ARG A 11 -1.076 12.884 5.604 1.00 0.00 O ATOM 123 CB ARG A 11 1.854 13.931 5.712 1.00 0.00 C ATOM 124 CG ARG A 11 3.152 14.284 6.447 1.00 0.00 C ATOM 125 CD ARG A 11 3.658 15.715 6.220 1.00 0.00 C ATOM 126 NE ARG A 11 5.070 15.833 6.632 1.00 0.00 N ATOM 127 CZ ARG A 11 5.574 15.589 7.852 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.791 15.507 8.921 1.00 0.00 N ATOM 129 NH2 ARG A 11 6.880 15.398 7.981 1.00 0.00 N ATOM 0 H ARG A 11 2.887 11.656 5.687 1.00 0.00 H new ATOM 0 HA ARG A 11 0.837 12.945 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.067 13.753 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.166 14.775 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.999 14.134 7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.929 13.586 6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.556 15.981 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.047 16.418 6.787 1.00 0.00 H new ATOM 0 HE ARG A 11 5.732 16.131 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.783 15.630 8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.197 15.321 9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.485 15.438 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.280 15.211 8.901 1.00 0.00 H new ATOM 143 N TYR A 12 0.064 11.134 4.763 1.00 0.00 N ATOM 144 CA TYR A 12 -0.932 10.643 3.814 1.00 0.00 C ATOM 145 C TYR A 12 -1.451 9.269 4.262 1.00 0.00 C ATOM 146 O TYR A 12 -2.649 9.001 4.238 1.00 0.00 O ATOM 147 CB TYR A 12 -0.282 10.531 2.416 1.00 0.00 C ATOM 148 CG TYR A 12 0.599 11.676 1.934 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.425 13.000 2.382 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.632 11.385 1.029 1.00 0.00 C ATOM 151 CE1 TYR A 12 1.330 14.007 1.998 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.525 12.389 0.616 1.00 0.00 C ATOM 153 CZ TYR A 12 2.391 13.704 1.111 1.00 0.00 C ATOM 154 OH TYR A 12 3.286 14.655 0.717 1.00 0.00 O ATOM 0 H TYR A 12 0.891 10.538 4.798 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.772 11.337 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.318 9.621 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.082 10.398 1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.408 13.244 3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.742 10.381 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.215 15.011 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.315 12.154 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 12 3.941 14.255 0.108 1.00 0.00 H new ATOM 164 N PHE A 13 -0.544 8.371 4.649 1.00 0.00 N ATOM 165 CA PHE A 13 -0.866 7.101 5.278 1.00 0.00 C ATOM 166 C PHE A 13 -0.871 7.305 6.792 1.00 0.00 C ATOM 167 O PHE A 13 -0.394 8.319 7.306 1.00 0.00 O ATOM 168 CB PHE A 13 0.169 6.039 4.867 1.00 0.00 C ATOM 169 CG PHE A 13 0.283 5.828 3.369 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.629 4.998 2.693 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.293 6.478 2.638 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.559 4.863 1.298 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.348 6.368 1.241 1.00 0.00 C ATOM 174 CZ PHE A 13 0.399 5.586 0.570 1.00 0.00 C ATOM 0 H PHE A 13 0.458 8.516 4.528 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.847 6.752 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.145 6.329 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.093 5.091 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.385 4.463 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.034 7.068 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.242 4.203 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.118 6.883 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.404 5.539 -0.509 1.00 0.00 H new ATOM 184 N GLU A 14 -1.376 6.316 7.519 1.00 0.00 N ATOM 185 CA GLU A 14 -1.282 6.251 8.974 1.00 0.00 C ATOM 186 C GLU A 14 -1.223 4.792 9.407 1.00 0.00 C ATOM 187 O GLU A 14 -1.440 3.882 8.611 1.00 0.00 O ATOM 188 CB GLU A 14 -2.487 6.985 9.567 1.00 0.00 C ATOM 189 CG GLU A 14 -2.161 7.874 10.762 1.00 0.00 C ATOM 190 CD GLU A 14 -3.412 8.657 11.145 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.307 8.038 11.771 1.00 0.00 O ATOM 192 OE2 GLU A 14 -3.525 9.845 10.769 1.00 0.00 O ATOM 0 H GLU A 14 -1.870 5.524 7.109 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.375 6.735 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.943 7.597 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.231 6.249 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.823 7.268 11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.349 8.557 10.514 1.00 0.00 H new ATOM 199 N GLN A 15 -0.921 4.580 10.677 1.00 0.00 N ATOM 200 CA GLN A 15 -0.594 3.274 11.236 1.00 0.00 C ATOM 201 C GLN A 15 -1.753 2.309 11.353 1.00 0.00 C ATOM 202 O GLN A 15 -1.505 1.123 11.510 1.00 0.00 O ATOM 203 CB GLN A 15 0.022 3.437 12.622 1.00 0.00 C ATOM 204 CG GLN A 15 -0.763 4.297 13.632 1.00 0.00 C ATOM 205 CD GLN A 15 -0.447 5.793 13.579 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.202 6.276 12.650 1.00 0.00 O ATOM 207 NE2 GLN A 15 -0.894 6.560 14.558 1.00 0.00 N ATOM 0 H GLN A 15 -0.895 5.330 11.368 1.00 0.00 H new ATOM 0 HA GLN A 15 0.104 2.840 10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.158 2.445 13.053 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.015 3.872 12.504 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.830 4.158 13.455 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.557 3.931 14.638 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.430 6.150 15.323 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.703 7.562 14.549 1.00 0.00 H new ATOM 216 N LEU A 16 -2.982 2.797 11.358 1.00 0.00 N ATOM 217 CA LEU A 16 -4.185 1.979 11.425 1.00 0.00 C ATOM 218 C LEU A 16 -5.108 2.344 10.253 1.00 0.00 C ATOM 219 O LEU A 16 -6.306 2.068 10.263 1.00 0.00 O ATOM 220 CB LEU A 16 -4.854 2.029 12.811 1.00 0.00 C ATOM 221 CG LEU A 16 -4.046 1.188 13.826 1.00 0.00 C ATOM 222 CD1 LEU A 16 -2.953 1.968 14.517 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.925 0.548 14.877 1.00 0.00 C ATOM 0 H LEU A 16 -3.177 3.797 11.315 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.920 0.928 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.919 3.062 13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.874 1.650 12.744 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.582 0.410 13.220 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.427 1.317 15.215 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.251 2.347 13.774 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.391 2.804 15.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.308 -0.031 15.564 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.454 1.324 15.430 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.647 -0.111 14.395 1.00 0.00 H new ATOM 235 N GLN A 17 -4.562 3.067 9.272 1.00 0.00 N ATOM 236 CA GLN A 17 -5.241 3.525 8.056 1.00 0.00 C ATOM 237 C GLN A 17 -5.439 2.363 7.082 1.00 0.00 C ATOM 238 O GLN A 17 -5.087 1.231 7.387 1.00 0.00 O ATOM 239 CB GLN A 17 -4.415 4.669 7.443 1.00 0.00 C ATOM 240 CG GLN A 17 -5.193 5.983 7.278 1.00 0.00 C ATOM 241 CD GLN A 17 -5.546 6.191 5.826 1.00 0.00 C ATOM 242 OE1 GLN A 17 -6.395 5.481 5.296 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.824 7.071 5.153 1.00 0.00 N ATOM 0 H GLN A 17 -3.587 3.364 9.305 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.237 3.901 8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.543 4.851 8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.044 4.353 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.100 5.957 7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.594 6.819 7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.130 7.639 5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.961 7.182 4.148 1.00 0.00 H new ATOM 252 N LYS A 18 -5.992 2.612 5.895 1.00 0.00 N ATOM 253 CA LYS A 18 -6.243 1.579 4.892 1.00 0.00 C ATOM 254 C LYS A 18 -5.441 1.838 3.631 1.00 0.00 C ATOM 255 O LYS A 18 -5.153 2.987 3.306 1.00 0.00 O ATOM 256 CB LYS A 18 -7.741 1.526 4.572 1.00 0.00 C ATOM 257 CG LYS A 18 -8.527 0.796 5.667 1.00 0.00 C ATOM 258 CD LYS A 18 -9.280 1.710 6.628 1.00 0.00 C ATOM 259 CE LYS A 18 -10.735 1.933 6.212 1.00 0.00 C ATOM 260 NZ LYS A 18 -10.907 2.906 5.121 1.00 0.00 N ATOM 0 H LYS A 18 -6.281 3.545 5.601 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.927 0.617 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.126 2.540 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.892 1.022 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.241 0.121 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.836 0.178 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.254 1.278 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.770 2.672 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.164 0.979 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.301 2.272 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.918 3.002 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.529 3.829 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.396 2.576 4.278 1.00 0.00 H new ATOM 274 N VAL A 19 -5.123 0.781 2.887 1.00 0.00 N ATOM 275 CA VAL A 19 -4.453 0.852 1.593 1.00 0.00 C ATOM 276 C VAL A 19 -4.990 -0.278 0.706 1.00 0.00 C ATOM 277 O VAL A 19 -5.269 -1.385 1.182 1.00 0.00 O ATOM 278 CB VAL A 19 -2.924 0.795 1.772 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.394 2.048 2.486 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.411 -0.446 2.513 1.00 0.00 C ATOM 0 H VAL A 19 -5.331 -0.175 3.177 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.665 1.802 1.102 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.540 0.742 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.312 1.974 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.640 2.933 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.854 2.127 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.325 -0.400 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.846 -0.479 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.697 -1.342 1.963 1.00 0.00 H new ATOM 290 N ASN A 20 -5.102 0.000 -0.594 1.00 0.00 N ATOM 291 CA ASN A 20 -5.341 -0.979 -1.647 1.00 0.00 C ATOM 292 C ASN A 20 -4.133 -1.910 -1.778 1.00 0.00 C ATOM 293 O ASN A 20 -3.019 -1.528 -1.414 1.00 0.00 O ATOM 294 CB ASN A 20 -5.536 -0.204 -2.959 1.00 0.00 C ATOM 295 CG ASN A 20 -6.240 -0.916 -4.104 1.00 0.00 C ATOM 296 OD1 ASN A 20 -6.074 -0.506 -5.249 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.071 -1.912 -3.869 1.00 0.00 N ATOM 0 H ASN A 20 -5.025 0.952 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.219 -1.582 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.097 0.703 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.554 0.109 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.579 -2.345 -4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.206 -2.250 -2.916 1.00 0.00 H new ATOM 304 N LEU A 21 -4.330 -3.095 -2.353 1.00 0.00 N ATOM 305 CA LEU A 21 -3.337 -4.163 -2.440 1.00 0.00 C ATOM 306 C LEU A 21 -3.257 -4.674 -3.870 1.00 0.00 C ATOM 307 O LEU A 21 -3.500 -5.858 -4.109 1.00 0.00 O ATOM 308 CB LEU A 21 -3.654 -5.323 -1.481 1.00 0.00 C ATOM 309 CG LEU A 21 -3.880 -4.967 -0.012 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.276 -6.265 0.688 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.642 -4.372 0.666 1.00 0.00 C ATOM 0 H LEU A 21 -5.218 -3.346 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.374 -3.748 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.546 -5.831 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.834 -6.040 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.651 -4.199 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.451 -6.069 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.187 -6.659 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.474 -6.995 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.872 -4.142 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.824 -5.091 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.348 -3.458 0.149 1.00 0.00 H new ATOM 323 N THR A 22 -3.006 -3.786 -4.831 1.00 0.00 N ATOM 324 CA THR A 22 -2.755 -4.233 -6.188 1.00 0.00 C ATOM 325 C THR A 22 -1.401 -4.949 -6.178 1.00 0.00 C ATOM 326 O THR A 22 -0.428 -4.385 -5.680 1.00 0.00 O ATOM 327 CB THR A 22 -2.749 -3.053 -7.165 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.803 -2.145 -6.882 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.899 -3.562 -8.603 1.00 0.00 C ATOM 0 H THR A 22 -2.973 -2.776 -4.694 1.00 0.00 H new ATOM 0 HA THR A 22 -3.543 -4.907 -6.524 1.00 0.00 H new ATOM 0 HB THR A 22 -1.798 -2.532 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.774 -1.401 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.894 -2.716 -9.291 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.070 -4.229 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.840 -4.103 -8.701 1.00 0.00 H new ATOM 337 N VAL A 23 -1.316 -6.153 -6.735 1.00 0.00 N ATOM 338 CA VAL A 23 -0.071 -6.906 -6.883 1.00 0.00 C ATOM 339 C VAL A 23 -0.007 -7.308 -8.349 1.00 0.00 C ATOM 340 O VAL A 23 -0.988 -7.850 -8.844 1.00 0.00 O ATOM 341 CB VAL A 23 -0.079 -8.166 -5.985 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.244 -8.935 -6.100 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.312 -7.890 -4.497 1.00 0.00 C ATOM 0 H VAL A 23 -2.129 -6.645 -7.105 1.00 0.00 H new ATOM 0 HA VAL A 23 0.791 -6.309 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.922 -8.748 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.210 -9.815 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.396 -9.245 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.067 -8.291 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.301 -8.831 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.477 -7.240 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.278 -7.403 -4.364 1.00 0.00 H new ATOM 353 N ARG A 24 1.097 -7.091 -9.070 1.00 0.00 N ATOM 354 CA ARG A 24 1.235 -7.637 -10.419 1.00 0.00 C ATOM 355 C ARG A 24 1.418 -9.137 -10.330 1.00 0.00 C ATOM 356 O ARG A 24 2.483 -9.550 -9.857 1.00 0.00 O ATOM 357 CB ARG A 24 2.431 -6.983 -11.117 1.00 0.00 C ATOM 358 CG ARG A 24 2.884 -7.660 -12.415 1.00 0.00 C ATOM 359 CD ARG A 24 4.195 -7.072 -12.944 1.00 0.00 C ATOM 360 NE ARG A 24 4.545 -7.651 -14.253 1.00 0.00 N ATOM 361 CZ ARG A 24 5.221 -8.780 -14.504 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.700 -9.531 -13.514 1.00 0.00 N ATOM 363 NH2 ARG A 24 5.389 -9.174 -15.761 1.00 0.00 N ATOM 0 H ARG A 24 1.897 -6.548 -8.746 1.00 0.00 H new ATOM 0 HA ARG A 24 0.339 -7.426 -11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.179 -5.945 -11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.271 -6.967 -10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.011 -8.729 -12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.107 -7.550 -13.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.102 -5.990 -13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.997 -7.264 -12.231 1.00 0.00 H new ATOM 0 HE ARG A 24 4.234 -7.126 -15.070 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.555 -9.250 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.212 -10.387 -13.725 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.005 -8.618 -16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.902 -10.032 -15.962 1.00 0.00 H new ATOM 377 N LEU A 25 0.476 -9.934 -10.829 1.00 0.00 N ATOM 378 CA LEU A 25 0.698 -11.331 -11.098 1.00 0.00 C ATOM 379 C LEU A 25 0.686 -11.487 -12.610 1.00 0.00 C ATOM 380 O LEU A 25 -0.337 -11.840 -13.204 1.00 0.00 O ATOM 381 CB LEU A 25 -0.373 -12.173 -10.429 1.00 0.00 C ATOM 382 CG LEU A 25 -0.468 -12.071 -8.908 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.825 -11.968 -8.103 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.465 -11.147 -8.263 1.00 0.00 C ATOM 0 H LEU A 25 -0.466 -9.615 -11.056 1.00 0.00 H new ATOM 0 HA LEU A 25 1.651 -11.674 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.339 -11.895 -10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.200 -13.217 -10.691 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.873 -13.081 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.588 -11.903 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.438 -12.851 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.373 -11.077 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.378 -11.217 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.268 -10.122 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.473 -11.431 -8.565 1.00 0.00 H new ATOM 436 N SER A 30 -2.930 -10.271 -11.993 1.00 0.00 N ATOM 437 CA SER A 30 -2.877 -9.469 -10.807 1.00 0.00 C ATOM 438 C SER A 30 -3.988 -9.794 -9.821 1.00 0.00 C ATOM 439 O SER A 30 -4.866 -10.637 -10.019 1.00 0.00 O ATOM 440 CB SER A 30 -2.781 -7.977 -11.189 1.00 0.00 C ATOM 441 OG SER A 30 -1.731 -7.821 -12.135 1.00 0.00 O ATOM 0 HA SER A 30 -1.969 -9.718 -10.258 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.725 -7.632 -11.611 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.587 -7.371 -10.304 1.00 0.00 H new ATOM 0 HG SER A 30 -1.657 -8.633 -12.679 1.00 0.00 H new ATOM 447 N PHE A 31 -3.822 -9.212 -8.651 1.00 0.00 N ATOM 448 CA PHE A 31 -4.731 -9.282 -7.544 1.00 0.00 C ATOM 449 C PHE A 31 -4.877 -7.843 -7.101 1.00 0.00 C ATOM 450 O PHE A 31 -3.918 -7.079 -7.200 1.00 0.00 O ATOM 451 CB PHE A 31 -4.137 -10.162 -6.430 1.00 0.00 C ATOM 452 CG PHE A 31 -5.069 -10.302 -5.244 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.217 -11.107 -5.353 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.838 -9.561 -4.069 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.155 -11.143 -4.307 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.785 -9.589 -3.028 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.949 -10.365 -3.155 1.00 0.00 C ATOM 0 H PHE A 31 -2.999 -8.647 -8.444 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.692 -9.728 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.914 -11.150 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.192 -9.733 -6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.378 -11.699 -6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.938 -8.973 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.032 -11.767 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.616 -9.013 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.687 -10.364 -2.366 1.00 0.00 H new ATOM 467 N ASP A 32 -6.044 -7.469 -6.606 1.00 0.00 N ATOM 468 CA ASP A 32 -6.291 -6.227 -5.942 1.00 0.00 C ATOM 469 C ASP A 32 -7.193 -6.523 -4.752 1.00 0.00 C ATOM 470 O ASP A 32 -8.172 -7.276 -4.865 1.00 0.00 O ATOM 471 CB ASP A 32 -6.860 -5.217 -6.926 1.00 0.00 C ATOM 472 CG ASP A 32 -8.354 -5.325 -7.206 1.00 0.00 C ATOM 473 OD1 ASP A 32 -9.136 -4.660 -6.489 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.720 -6.002 -8.192 1.00 0.00 O ATOM 0 H ASP A 32 -6.874 -8.058 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.378 -5.768 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.653 -4.216 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.325 -5.319 -7.870 1.00 0.00 H new ATOM 479 N GLY A 33 -6.768 -6.000 -3.600 1.00 0.00 N ATOM 480 CA GLY A 33 -7.385 -6.253 -2.303 1.00 0.00 C ATOM 481 C GLY A 33 -7.312 -5.018 -1.405 1.00 0.00 C ATOM 482 O GLY A 33 -6.949 -3.934 -1.868 1.00 0.00 O ATOM 0 H GLY A 33 -5.965 -5.374 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.426 -6.543 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.884 -7.090 -1.816 1.00 0.00 H new ATOM 486 N THR A 34 -7.626 -5.165 -0.120 1.00 0.00 N ATOM 487 CA THR A 34 -7.604 -4.097 0.877 1.00 0.00 C ATOM 488 C THR A 34 -6.937 -4.647 2.136 1.00 0.00 C ATOM 489 O THR A 34 -7.176 -5.798 2.503 1.00 0.00 O ATOM 490 CB THR A 34 -9.037 -3.598 1.203 1.00 0.00 C ATOM 491 OG1 THR A 34 -9.974 -3.965 0.190 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.060 -2.071 1.370 1.00 0.00 C ATOM 0 H THR A 34 -7.913 -6.063 0.270 1.00 0.00 H new ATOM 0 HA THR A 34 -7.048 -3.244 0.487 1.00 0.00 H new ATOM 0 HB THR A 34 -9.328 -4.077 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.864 -3.634 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.075 -1.745 1.598 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.395 -1.784 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.726 -1.599 0.446 1.00 0.00 H new ATOM 500 N ALA A 35 -6.138 -3.831 2.827 1.00 0.00 N ATOM 501 CA ALA A 35 -5.715 -4.126 4.187 1.00 0.00 C ATOM 502 C ALA A 35 -5.854 -2.881 5.043 1.00 0.00 C ATOM 503 O ALA A 35 -5.749 -1.756 4.540 1.00 0.00 O ATOM 504 CB ALA A 35 -4.263 -4.603 4.240 1.00 0.00 C ATOM 0 H ALA A 35 -5.771 -2.954 2.458 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.352 -4.926 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.986 -4.813 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.156 -5.510 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.610 -3.827 3.840 1.00 0.00 H new ATOM 510 N ALA A 36 -6.032 -3.104 6.343 1.00 0.00 N ATOM 511 CA ALA A 36 -5.688 -2.112 7.338 1.00 0.00 C ATOM 512 C ALA A 36 -4.171 -2.176 7.511 1.00 0.00 C ATOM 513 O ALA A 36 -3.588 -3.266 7.497 1.00 0.00 O ATOM 514 CB ALA A 36 -6.426 -2.418 8.643 1.00 0.00 C ATOM 0 H ALA A 36 -6.414 -3.969 6.725 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.983 -1.107 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.166 -1.670 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.501 -2.396 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.137 -3.406 9.001 1.00 0.00 H new ATOM 520 N ILE A 37 -3.541 -1.014 7.646 1.00 0.00 N ATOM 521 CA ILE A 37 -2.216 -0.858 8.207 1.00 0.00 C ATOM 522 C ILE A 37 -2.336 -1.191 9.704 1.00 0.00 C ATOM 523 O ILE A 37 -3.420 -1.128 10.280 1.00 0.00 O ATOM 524 CB ILE A 37 -1.666 0.567 7.899 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.591 0.788 6.365 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.260 0.787 8.483 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.054 2.150 5.894 1.00 0.00 C ATOM 0 H ILE A 37 -3.958 -0.129 7.356 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.484 -1.533 7.764 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.352 1.276 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.962 0.007 5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.591 0.654 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.080 1.794 8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.292 0.664 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.430 0.059 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.050 2.183 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.692 2.945 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.038 2.289 6.265 1.00 0.00 H new ATOM 539 N THR A 38 -1.213 -1.549 10.320 1.00 0.00 N ATOM 540 CA THR A 38 -1.095 -1.933 11.719 1.00 0.00 C ATOM 541 C THR A 38 0.115 -1.289 12.392 1.00 0.00 C ATOM 542 O THR A 38 0.211 -1.260 13.620 1.00 0.00 O ATOM 543 CB THR A 38 -0.976 -3.459 11.781 1.00 0.00 C ATOM 544 OG1 THR A 38 0.125 -3.893 10.994 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.226 -4.126 11.226 1.00 0.00 C ATOM 0 H THR A 38 -0.318 -1.580 9.831 1.00 0.00 H new ATOM 0 HA THR A 38 -1.978 -1.586 12.256 1.00 0.00 H new ATOM 0 HB THR A 38 -0.840 -3.734 12.827 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.195 -4.869 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.116 -5.209 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.093 -3.819 11.811 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.366 -3.828 10.187 1.00 0.00 H new ATOM 553 N SER A 39 1.081 -0.810 11.613 1.00 0.00 N ATOM 554 CA SER A 39 2.187 0.023 12.042 1.00 0.00 C ATOM 555 C SER A 39 2.671 0.762 10.797 1.00 0.00 C ATOM 556 O SER A 39 2.597 0.211 9.694 1.00 0.00 O ATOM 557 CB SER A 39 3.302 -0.860 12.607 1.00 0.00 C ATOM 558 OG SER A 39 2.929 -1.471 13.835 1.00 0.00 O ATOM 0 H SER A 39 1.109 -1.007 10.613 1.00 0.00 H new ATOM 0 HA SER A 39 1.890 0.724 12.822 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.556 -1.632 11.881 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.198 -0.259 12.759 1.00 0.00 H new ATOM 0 HG SER A 39 1.968 -1.347 13.984 1.00 0.00 H new ATOM 564 N LEU A 40 3.184 1.982 10.955 1.00 0.00 N ATOM 565 CA LEU A 40 3.722 2.791 9.867 1.00 0.00 C ATOM 566 C LEU A 40 4.905 3.570 10.413 1.00 0.00 C ATOM 567 O LEU A 40 4.747 4.332 11.369 1.00 0.00 O ATOM 568 CB LEU A 40 2.646 3.736 9.313 1.00 0.00 C ATOM 569 CG LEU A 40 3.177 4.774 8.301 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.582 4.152 6.964 1.00 0.00 C ATOM 571 CD2 LEU A 40 2.083 5.800 8.023 1.00 0.00 C ATOM 0 H LEU A 40 3.237 2.443 11.863 1.00 0.00 H new ATOM 0 HA LEU A 40 4.044 2.155 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.868 3.142 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.177 4.262 10.145 1.00 0.00 H new ATOM 0 HG LEU A 40 4.063 5.226 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.947 4.932 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.370 3.417 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.718 3.663 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.449 6.538 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.209 5.297 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.808 6.300 8.952 1.00 0.00 H new ATOM 583 N LYS A 41 6.064 3.384 9.789 1.00 0.00 N ATOM 584 CA LYS A 41 7.357 3.902 10.194 1.00 0.00 C ATOM 585 C LYS A 41 8.056 4.451 8.949 1.00 0.00 C ATOM 586 O LYS A 41 8.977 3.834 8.409 1.00 0.00 O ATOM 587 CB LYS A 41 8.135 2.759 10.867 1.00 0.00 C ATOM 588 CG LYS A 41 9.381 3.234 11.628 1.00 0.00 C ATOM 589 CD LYS A 41 10.307 2.040 11.860 1.00 0.00 C ATOM 590 CE LYS A 41 11.264 2.247 13.031 1.00 0.00 C ATOM 591 NZ LYS A 41 12.226 1.132 13.100 1.00 0.00 N ATOM 0 H LYS A 41 6.124 2.832 8.933 1.00 0.00 H new ATOM 0 HA LYS A 41 7.278 4.717 10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.473 2.237 11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.436 2.038 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.898 4.007 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.094 3.678 12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.705 1.150 12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.884 1.854 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.797 3.191 12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.703 2.312 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.874 1.281 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.712 0.238 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.772 1.089 12.216 1.00 0.00 H new ATOM 605 N GLY A 42 7.625 5.613 8.458 1.00 0.00 N ATOM 606 CA GLY A 42 8.223 6.232 7.279 1.00 0.00 C ATOM 607 C GLY A 42 8.020 5.347 6.049 1.00 0.00 C ATOM 608 O GLY A 42 6.880 5.042 5.707 1.00 0.00 O ATOM 0 H GLY A 42 6.857 6.147 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.775 7.211 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.288 6.394 7.446 1.00 0.00 H new ATOM 612 N SER A 43 9.093 4.956 5.353 1.00 0.00 N ATOM 613 CA SER A 43 9.041 4.124 4.148 1.00 0.00 C ATOM 614 C SER A 43 8.797 2.650 4.480 1.00 0.00 C ATOM 615 O SER A 43 9.369 1.775 3.826 1.00 0.00 O ATOM 616 CB SER A 43 10.323 4.301 3.316 1.00 0.00 C ATOM 617 OG SER A 43 11.496 3.908 4.007 1.00 0.00 O ATOM 0 H SER A 43 10.043 5.216 5.619 1.00 0.00 H new ATOM 0 HA SER A 43 8.192 4.459 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.237 3.718 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.416 5.346 3.021 1.00 0.00 H new ATOM 0 HG SER A 43 12.276 4.041 3.429 1.00 0.00 H new ATOM 623 N LEU A 44 8.021 2.347 5.517 1.00 0.00 N ATOM 624 CA LEU A 44 7.680 0.987 5.875 1.00 0.00 C ATOM 625 C LEU A 44 6.328 1.029 6.562 1.00 0.00 C ATOM 626 O LEU A 44 6.178 1.760 7.539 1.00 0.00 O ATOM 627 CB LEU A 44 8.750 0.393 6.806 1.00 0.00 C ATOM 628 CG LEU A 44 9.046 -1.105 6.610 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.513 -1.714 7.931 1.00 0.00 C ATOM 630 CD2 LEU A 44 7.957 -1.980 6.007 1.00 0.00 C ATOM 0 H LEU A 44 7.611 3.049 6.133 1.00 0.00 H new ATOM 0 HA LEU A 44 7.636 0.353 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.677 0.949 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.436 0.551 7.838 1.00 0.00 H new ATOM 0 HG LEU A 44 9.821 -1.104 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.722 -2.774 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.418 -1.207 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.732 -1.595 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.315 -3.007 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.072 -1.949 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.703 -1.611 5.013 1.00 0.00 H new ATOM 642 N ALA A 45 5.351 0.267 6.082 1.00 0.00 N ATOM 643 CA ALA A 45 4.097 0.033 6.791 1.00 0.00 C ATOM 644 C ALA A 45 3.868 -1.473 6.869 1.00 0.00 C ATOM 645 O ALA A 45 4.469 -2.211 6.090 1.00 0.00 O ATOM 646 CB ALA A 45 2.940 0.735 6.071 1.00 0.00 C ATOM 0 H ALA A 45 5.407 -0.210 5.182 1.00 0.00 H new ATOM 0 HA ALA A 45 4.148 0.444 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.011 0.552 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.132 1.807 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.853 0.346 5.057 1.00 0.00 H new ATOM 652 N TRP A 46 2.992 -1.928 7.762 1.00 0.00 N ATOM 653 CA TRP A 46 2.632 -3.337 7.933 1.00 0.00 C ATOM 654 C TRP A 46 1.124 -3.504 7.922 1.00 0.00 C ATOM 655 O TRP A 46 0.426 -2.621 8.409 1.00 0.00 O ATOM 656 CB TRP A 46 3.184 -3.870 9.251 1.00 0.00 C ATOM 657 CG TRP A 46 4.554 -4.447 9.164 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.703 -3.739 9.140 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.932 -5.852 9.024 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.767 -4.612 9.077 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.353 -5.922 8.981 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.226 -7.069 8.889 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.040 -7.133 8.828 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.906 -8.291 8.720 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.313 -8.326 8.699 1.00 0.00 C ATOM 0 H TRP A 46 2.498 -1.310 8.406 1.00 0.00 H new ATOM 0 HA TRP A 46 3.064 -3.899 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.191 -3.060 9.980 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.506 -4.634 9.631 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.776 -2.662 9.166 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.745 -4.323 9.099 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.146 -7.062 8.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.120 -7.148 8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.344 -9.206 8.606 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.831 -9.267 8.584 1.00 0.00 H new ATOM 676 N LEU A 47 0.627 -4.633 7.416 1.00 0.00 N ATOM 677 CA LEU A 47 -0.769 -4.870 7.079 1.00 0.00 C ATOM 678 C LEU A 47 -1.375 -6.035 7.872 1.00 0.00 C ATOM 679 O LEU A 47 -0.661 -6.762 8.567 1.00 0.00 O ATOM 680 CB LEU A 47 -0.859 -5.183 5.573 1.00 0.00 C ATOM 681 CG LEU A 47 -0.486 -4.066 4.583 1.00 0.00 C ATOM 682 CD1 LEU A 47 -1.052 -2.695 4.963 1.00 0.00 C ATOM 683 CD2 LEU A 47 1.012 -3.906 4.322 1.00 0.00 C ATOM 0 H LEU A 47 1.218 -5.442 7.223 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.335 -3.975 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.215 -6.039 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.881 -5.495 5.356 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.955 -4.416 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.748 -1.957 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.140 -2.748 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.671 -2.403 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.173 -3.095 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.522 -3.676 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.411 -4.833 3.910 1.00 0.00 H new ATOM 695 N GLU A 48 -2.689 -6.243 7.731 1.00 0.00 N ATOM 696 CA GLU A 48 -3.419 -7.398 8.268 1.00 0.00 C ATOM 697 C GLU A 48 -4.595 -7.870 7.397 1.00 0.00 C ATOM 698 O GLU A 48 -5.486 -8.565 7.890 1.00 0.00 O ATOM 699 CB GLU A 48 -3.901 -7.092 9.699 1.00 0.00 C ATOM 700 CG GLU A 48 -4.882 -5.910 9.753 1.00 0.00 C ATOM 701 CD GLU A 48 -5.626 -5.812 11.086 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.986 -5.539 12.127 1.00 0.00 O ATOM 703 OE2 GLU A 48 -6.873 -5.961 11.087 1.00 0.00 O ATOM 0 H GLU A 48 -3.292 -5.594 7.225 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.710 -8.226 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.382 -7.978 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.039 -6.873 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.336 -4.983 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.607 -6.009 8.945 1.00 0.00 H new ATOM 710 N LEU A 49 -4.613 -7.510 6.111 1.00 0.00 N ATOM 711 CA LEU A 49 -5.767 -7.698 5.226 1.00 0.00 C ATOM 712 C LEU A 49 -7.054 -7.049 5.771 1.00 0.00 C ATOM 713 O LEU A 49 -7.013 -6.235 6.700 1.00 0.00 O ATOM 714 CB LEU A 49 -5.926 -9.200 4.891 1.00 0.00 C ATOM 715 CG LEU A 49 -5.272 -9.628 3.573 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.549 -11.111 3.342 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.831 -8.899 2.348 1.00 0.00 C ATOM 0 H LEU A 49 -3.816 -7.074 5.648 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.577 -7.167 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.498 -9.788 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.988 -9.440 4.850 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.212 -9.393 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.088 -11.426 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.132 -11.691 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.625 -11.276 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.322 -9.252 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.899 -9.099 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.670 -7.827 2.458 1.00 0.00 H new ATOM 729 N PHE A 50 -8.189 -7.326 5.127 1.00 0.00 N ATOM 730 CA PHE A 50 -9.538 -7.069 5.618 1.00 0.00 C ATOM 731 C PHE A 50 -10.409 -8.307 5.417 1.00 0.00 C ATOM 732 O PHE A 50 -10.302 -8.989 4.398 1.00 0.00 O ATOM 733 CB PHE A 50 -10.186 -5.896 4.859 1.00 0.00 C ATOM 734 CG PHE A 50 -10.281 -4.627 5.671 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.401 -4.365 6.484 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.235 -3.696 5.620 1.00 0.00 C ATOM 737 CE1 PHE A 50 -11.482 -3.164 7.210 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.310 -2.509 6.356 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.433 -2.232 7.150 1.00 0.00 C ATOM 0 H PHE A 50 -8.189 -7.757 4.203 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.465 -6.821 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.610 -5.697 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.186 -6.189 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.200 -5.089 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.367 -3.896 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -12.352 -2.958 7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.497 -1.800 6.313 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.490 -1.310 7.710 1.00 0.00 H new ATOM 781 N GLN A 54 -8.631 -12.052 0.161 1.00 0.00 N ATOM 782 CA GLN A 54 -7.239 -12.488 0.249 1.00 0.00 C ATOM 783 C GLN A 54 -6.686 -13.011 -1.088 1.00 0.00 C ATOM 784 O GLN A 54 -7.447 -13.595 -1.868 1.00 0.00 O ATOM 785 CB GLN A 54 -7.093 -13.556 1.347 1.00 0.00 C ATOM 786 CG GLN A 54 -7.950 -14.817 1.228 1.00 0.00 C ATOM 787 CD GLN A 54 -8.186 -15.393 2.623 1.00 0.00 C ATOM 788 OE1 GLN A 54 -9.139 -15.031 3.303 1.00 0.00 O ATOM 789 NE2 GLN A 54 -7.296 -16.234 3.124 1.00 0.00 N ATOM 0 HA GLN A 54 -6.645 -11.611 0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.048 -13.863 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.318 -13.086 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.902 -14.581 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.452 -15.553 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.503 -16.535 2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.403 -16.582 4.077 1.00 0.00 H new ATOM 798 N PRO A 55 -5.368 -12.855 -1.335 1.00 0.00 N ATOM 799 CA PRO A 55 -4.715 -13.252 -2.581 1.00 0.00 C ATOM 800 C PRO A 55 -4.701 -14.767 -2.792 1.00 0.00 C ATOM 801 O PRO A 55 -4.900 -15.517 -1.832 1.00 0.00 O ATOM 802 CB PRO A 55 -3.275 -12.732 -2.500 1.00 0.00 C ATOM 803 CG PRO A 55 -3.056 -12.283 -1.062 1.00 0.00 C ATOM 804 CD PRO A 55 -4.437 -12.188 -0.439 1.00 0.00 C ATOM 0 HA PRO A 55 -5.266 -12.835 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.565 -13.512 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.122 -11.904 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.432 -12.995 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.545 -11.321 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.447 -12.659 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.722 -11.146 -0.296 1.00 0.00 H new ATOM 812 N PRO A 56 -4.360 -15.253 -3.998 1.00 0.00 N ATOM 813 CA PRO A 56 -4.059 -16.668 -4.185 1.00 0.00 C ATOM 814 C PRO A 56 -2.800 -17.052 -3.375 1.00 0.00 C ATOM 815 O PRO A 56 -1.933 -16.202 -3.151 1.00 0.00 O ATOM 816 CB PRO A 56 -3.843 -16.830 -5.693 1.00 0.00 C ATOM 817 CG PRO A 56 -3.323 -15.457 -6.111 1.00 0.00 C ATOM 818 CD PRO A 56 -4.055 -14.485 -5.200 1.00 0.00 C ATOM 0 HA PRO A 56 -4.856 -17.323 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.125 -17.619 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.769 -17.086 -6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.243 -15.385 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.534 -15.254 -7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.436 -13.618 -4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.964 -14.111 -5.671 1.00 0.00 H new ATOM 826 N PRO A 57 -2.646 -18.326 -2.979 1.00 0.00 N ATOM 827 CA PRO A 57 -1.480 -18.797 -2.235 1.00 0.00 C ATOM 828 C PRO A 57 -0.256 -18.899 -3.151 1.00 0.00 C ATOM 829 O PRO A 57 -0.393 -18.795 -4.369 1.00 0.00 O ATOM 830 CB PRO A 57 -1.895 -20.165 -1.694 1.00 0.00 C ATOM 831 CG PRO A 57 -2.857 -20.685 -2.762 1.00 0.00 C ATOM 832 CD PRO A 57 -3.574 -19.418 -3.223 1.00 0.00 C ATOM 0 HA PRO A 57 -1.192 -18.117 -1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.037 -20.826 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.379 -20.083 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.327 -21.170 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.554 -21.418 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.836 -19.480 -4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.503 -19.272 -2.672 1.00 0.00 H new ATOM 840 N ASN A 58 0.934 -19.128 -2.581 1.00 0.00 N ATOM 841 CA ASN A 58 2.261 -19.178 -3.226 1.00 0.00 C ATOM 842 C ASN A 58 2.666 -17.951 -4.057 1.00 0.00 C ATOM 843 O ASN A 58 3.807 -17.880 -4.524 1.00 0.00 O ATOM 844 CB ASN A 58 2.482 -20.495 -3.995 1.00 0.00 C ATOM 845 CG ASN A 58 1.792 -20.566 -5.357 1.00 0.00 C ATOM 846 OD1 ASN A 58 1.979 -19.719 -6.224 1.00 0.00 O ATOM 847 ND2 ASN A 58 1.019 -21.611 -5.606 1.00 0.00 N ATOM 0 H ASN A 58 1.004 -19.297 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 58 2.950 -19.147 -2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.553 -20.640 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.127 -21.322 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.578 -21.713 -6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.864 -22.315 -4.884 1.00 0.00 H new ATOM 854 N THR A 59 1.773 -16.976 -4.198 1.00 0.00 N ATOM 855 CA THR A 59 1.811 -15.956 -5.226 1.00 0.00 C ATOM 856 C THR A 59 2.351 -14.622 -4.694 1.00 0.00 C ATOM 857 O THR A 59 2.900 -13.835 -5.468 1.00 0.00 O ATOM 858 CB THR A 59 0.378 -15.869 -5.782 1.00 0.00 C ATOM 859 OG1 THR A 59 0.003 -17.105 -6.364 1.00 0.00 O ATOM 860 CG2 THR A 59 0.195 -14.842 -6.882 1.00 0.00 C ATOM 0 H THR A 59 0.974 -16.876 -3.572 1.00 0.00 H new ATOM 0 HA THR A 59 2.507 -16.211 -6.025 1.00 0.00 H new ATOM 0 HB THR A 59 -0.228 -15.589 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.246 -17.737 -5.658 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.843 -14.847 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.449 -13.853 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.847 -15.087 -7.721 1.00 0.00 H new ATOM 868 N LEU A 60 2.257 -14.350 -3.388 1.00 0.00 N ATOM 869 CA LEU A 60 2.946 -13.220 -2.772 1.00 0.00 C ATOM 870 C LEU A 60 4.412 -13.593 -2.558 1.00 0.00 C ATOM 871 O LEU A 60 4.729 -14.755 -2.308 1.00 0.00 O ATOM 872 CB LEU A 60 2.287 -12.844 -1.436 1.00 0.00 C ATOM 873 CG LEU A 60 0.968 -12.072 -1.591 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.351 -11.786 -0.225 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.178 -10.719 -2.282 1.00 0.00 C ATOM 0 H LEU A 60 1.704 -14.905 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 60 2.880 -12.354 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.100 -13.754 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.984 -12.241 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 60 0.313 -12.700 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.583 -11.239 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.152 -12.727 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.043 -11.188 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.221 -10.204 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.863 -10.111 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.599 -10.879 -3.274 1.00 0.00 H new ATOM 887 N SER A 61 5.314 -12.617 -2.614 1.00 0.00 N ATOM 888 CA SER A 61 6.727 -12.784 -2.325 1.00 0.00 C ATOM 889 C SER A 61 7.236 -11.511 -1.646 1.00 0.00 C ATOM 890 O SER A 61 6.616 -10.454 -1.780 1.00 0.00 O ATOM 891 CB SER A 61 7.497 -13.015 -3.628 1.00 0.00 C ATOM 892 OG SER A 61 6.748 -13.679 -4.644 1.00 0.00 O ATOM 0 H SER A 61 5.070 -11.660 -2.870 1.00 0.00 H new ATOM 0 HA SER A 61 6.875 -13.643 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.834 -12.052 -4.012 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.390 -13.601 -3.410 1.00 0.00 H new ATOM 0 HG SER A 61 7.305 -13.788 -5.443 1.00 0.00 H new ATOM 898 N GLU A 62 8.398 -11.560 -0.992 1.00 0.00 N ATOM 899 CA GLU A 62 8.890 -10.453 -0.163 1.00 0.00 C ATOM 900 C GLU A 62 9.336 -9.215 -0.957 1.00 0.00 C ATOM 901 O GLU A 62 9.717 -8.194 -0.387 1.00 0.00 O ATOM 902 CB GLU A 62 10.058 -10.917 0.728 1.00 0.00 C ATOM 903 CG GLU A 62 9.828 -12.251 1.458 1.00 0.00 C ATOM 904 CD GLU A 62 10.916 -12.523 2.503 1.00 0.00 C ATOM 905 OE1 GLU A 62 12.124 -12.416 2.180 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.571 -12.828 3.670 1.00 0.00 O ATOM 0 H GLU A 62 9.024 -12.365 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 62 8.034 -10.153 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.952 -11.007 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.259 -10.144 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.853 -12.236 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.810 -13.064 0.732 1.00 0.00 H new ATOM 913 N GLY A 63 9.279 -9.270 -2.278 1.00 0.00 N ATOM 914 CA GLY A 63 9.558 -8.168 -3.174 1.00 0.00 C ATOM 915 C GLY A 63 8.604 -8.242 -4.353 1.00 0.00 C ATOM 916 O GLY A 63 9.017 -7.995 -5.482 1.00 0.00 O ATOM 0 H GLY A 63 9.025 -10.125 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.440 -7.218 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.590 -8.215 -3.520 1.00 0.00 H new ATOM 920 N ALA A 64 7.348 -8.632 -4.123 1.00 0.00 N ATOM 921 CA ALA A 64 6.283 -8.381 -5.084 1.00 0.00 C ATOM 922 C ALA A 64 6.230 -6.868 -5.291 1.00 0.00 C ATOM 923 O ALA A 64 6.347 -6.121 -4.315 1.00 0.00 O ATOM 924 CB ALA A 64 4.973 -8.966 -4.538 1.00 0.00 C ATOM 0 H ALA A 64 7.049 -9.122 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 64 6.455 -8.859 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.168 -8.784 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.088 -10.039 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.731 -8.491 -3.587 1.00 0.00 H new ATOM 930 N GLU A 65 6.111 -6.414 -6.539 1.00 0.00 N ATOM 931 CA GLU A 65 5.763 -5.040 -6.832 1.00 0.00 C ATOM 932 C GLU A 65 4.261 -4.926 -6.594 1.00 0.00 C ATOM 933 O GLU A 65 3.473 -5.744 -7.095 1.00 0.00 O ATOM 934 CB GLU A 65 6.201 -4.608 -8.245 1.00 0.00 C ATOM 935 CG GLU A 65 5.616 -5.394 -9.429 1.00 0.00 C ATOM 936 CD GLU A 65 5.852 -4.660 -10.756 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.006 -4.640 -11.230 1.00 0.00 O ATOM 938 OE2 GLU A 65 4.894 -4.070 -11.327 1.00 0.00 O ATOM 0 H GLU A 65 6.254 -6.993 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 65 6.299 -4.348 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.940 -3.558 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.288 -4.675 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.071 -6.383 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.547 -5.542 -9.278 1.00 0.00 H new ATOM 945 N VAL A 66 3.891 -3.967 -5.757 1.00 0.00 N ATOM 946 CA VAL A 66 2.527 -3.745 -5.309 1.00 0.00 C ATOM 947 C VAL A 66 2.202 -2.253 -5.374 1.00 0.00 C ATOM 948 O VAL A 66 3.010 -1.411 -4.974 1.00 0.00 O ATOM 949 CB VAL A 66 2.299 -4.351 -3.901 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.781 -5.805 -3.806 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.977 -3.550 -2.784 1.00 0.00 C ATOM 0 H VAL A 66 4.554 -3.302 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 66 1.835 -4.261 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 66 1.219 -4.311 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.599 -6.184 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.239 -6.416 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.848 -5.849 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.779 -4.026 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.052 -3.519 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.582 -2.534 -2.773 1.00 0.00 H new ATOM 961 N SER A 67 1.022 -1.903 -5.873 1.00 0.00 N ATOM 962 CA SER A 67 0.519 -0.544 -5.830 1.00 0.00 C ATOM 963 C SER A 67 -0.382 -0.427 -4.601 1.00 0.00 C ATOM 964 O SER A 67 -1.222 -1.296 -4.349 1.00 0.00 O ATOM 965 CB SER A 67 -0.217 -0.177 -7.123 1.00 0.00 C ATOM 966 OG SER A 67 -0.040 -1.082 -8.206 1.00 0.00 O ATOM 0 H SER A 67 0.386 -2.563 -6.321 1.00 0.00 H new ATOM 0 HA SER A 67 1.343 0.165 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.282 -0.102 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.114 0.812 -7.441 1.00 0.00 H new ATOM 0 HG SER A 67 -0.547 -0.766 -8.983 1.00 0.00 H new ATOM 972 N VAL A 68 -0.183 0.619 -3.804 1.00 0.00 N ATOM 973 CA VAL A 68 -1.105 1.017 -2.759 1.00 0.00 C ATOM 974 C VAL A 68 -1.992 2.104 -3.363 1.00 0.00 C ATOM 975 O VAL A 68 -1.517 2.888 -4.186 1.00 0.00 O ATOM 976 CB VAL A 68 -0.341 1.560 -1.533 1.00 0.00 C ATOM 977 CG1 VAL A 68 0.895 0.757 -1.100 1.00 0.00 C ATOM 978 CG2 VAL A 68 -0.047 3.044 -1.524 1.00 0.00 C ATOM 0 H VAL A 68 0.638 1.220 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.697 0.169 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.101 1.400 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.351 1.231 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.597 -0.260 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.616 0.729 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.493 3.303 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.562 3.300 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.983 3.601 -1.561 1.00 0.00 H new ATOM 988 N SER A 69 -3.205 2.287 -2.848 1.00 0.00 N ATOM 989 CA SER A 69 -3.909 3.546 -3.006 1.00 0.00 C ATOM 990 C SER A 69 -4.725 3.814 -1.749 1.00 0.00 C ATOM 991 O SER A 69 -5.179 2.866 -1.096 1.00 0.00 O ATOM 992 CB SER A 69 -4.731 3.531 -4.303 1.00 0.00 C ATOM 993 OG SER A 69 -5.862 2.695 -4.205 1.00 0.00 O ATOM 0 H SER A 69 -3.715 1.579 -2.320 1.00 0.00 H new ATOM 0 HA SER A 69 -3.213 4.378 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.050 4.546 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.102 3.194 -5.127 1.00 0.00 H new ATOM 0 HG SER A 69 -6.358 2.715 -5.050 1.00 0.00 H new ATOM 999 N VAL A 70 -4.874 5.087 -1.386 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.624 5.510 -0.215 1.00 0.00 C ATOM 1001 C VAL A 70 -6.221 6.887 -0.472 1.00 0.00 C ATOM 1002 O VAL A 70 -5.637 7.701 -1.194 1.00 0.00 O ATOM 1003 CB VAL A 70 -4.702 5.486 1.015 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.486 6.425 0.931 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -5.486 5.815 2.281 1.00 0.00 C ATOM 0 H VAL A 70 -4.468 5.863 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.450 4.828 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.311 4.469 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.896 6.339 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.872 6.149 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.828 7.454 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.816 5.793 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.925 6.808 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.278 5.079 2.420 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.389 7.138 0.112 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.044 8.431 0.102 1.00 0.00 C ATOM 1017 C TRP A 71 -7.555 9.212 1.313 1.00 0.00 C ATOM 1018 O TRP A 71 -7.729 8.765 2.449 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.560 8.235 0.113 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.075 7.605 -1.146 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.263 6.283 -1.346 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.356 8.245 -2.426 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.675 6.065 -2.645 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.727 7.239 -3.365 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.290 9.568 -2.904 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -11.007 7.532 -4.709 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.558 9.876 -4.249 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.918 8.863 -5.154 1.00 0.00 C ATOM 0 H TRP A 71 -7.915 6.425 0.617 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.801 8.995 -0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.835 7.612 0.964 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.045 9.201 0.255 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.114 5.514 -0.603 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.912 5.149 -3.025 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.028 10.363 -2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.287 6.745 -5.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.487 10.898 -4.589 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.125 9.105 -6.186 1.00 0.00 H new ATOM 1039 N THR A 72 -6.900 10.341 1.069 1.00 0.00 N ATOM 1040 CA THR A 72 -6.411 11.261 2.087 1.00 0.00 C ATOM 1041 C THR A 72 -6.400 12.664 1.465 1.00 0.00 C ATOM 1042 O THR A 72 -6.615 12.801 0.251 1.00 0.00 O ATOM 1043 CB THR A 72 -5.044 10.764 2.601 1.00 0.00 C ATOM 1044 OG1 THR A 72 -4.591 11.557 3.670 1.00 0.00 O ATOM 1045 CG2 THR A 72 -3.956 10.732 1.523 1.00 0.00 C ATOM 0 H THR A 72 -6.687 10.652 0.121 1.00 0.00 H new ATOM 0 HA THR A 72 -7.049 11.306 2.969 1.00 0.00 H new ATOM 0 HB THR A 72 -5.217 9.739 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.897 11.073 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.023 10.372 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.262 10.065 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.808 11.736 1.126 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.185 13.708 2.269 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.495 15.080 1.895 1.00 0.00 C ATOM 1055 C GLY A 73 -7.904 15.117 1.311 1.00 0.00 C ATOM 1056 O GLY A 73 -8.859 14.711 1.979 1.00 0.00 O ATOM 0 H GLY A 73 -5.788 13.619 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.428 15.734 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.773 15.446 1.165 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.030 15.500 0.043 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.236 15.289 -0.744 1.00 0.00 C ATOM 1062 C GLY A 74 -8.867 14.774 -2.123 1.00 0.00 C ATOM 1063 O GLY A 74 -9.118 15.464 -3.113 1.00 0.00 O ATOM 0 H GLY A 74 -7.286 15.972 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.889 14.575 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.792 16.222 -0.831 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.216 13.611 -2.198 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.851 12.924 -3.430 1.00 0.00 C ATOM 1069 C ALA A 75 -7.416 11.488 -3.094 1.00 0.00 C ATOM 1070 O ALA A 75 -7.516 11.055 -1.944 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.744 13.717 -4.144 1.00 0.00 C ATOM 0 H ALA A 75 -7.918 13.104 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.702 12.864 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.468 13.206 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.107 14.718 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.872 13.790 -3.494 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.960 10.744 -4.105 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.429 9.391 -4.002 1.00 0.00 C ATOM 1079 C LEU A 76 -4.915 9.433 -4.227 1.00 0.00 C ATOM 1080 O LEU A 76 -4.451 9.507 -5.375 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.106 8.495 -5.047 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.654 7.025 -4.960 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.393 6.291 -3.839 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.967 6.313 -6.278 1.00 0.00 C ATOM 0 H LEU A 76 -6.953 11.091 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.631 8.981 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.187 8.546 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.887 8.879 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.583 7.015 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.056 5.255 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.185 6.778 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.465 6.316 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.647 5.273 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.040 6.351 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.438 6.807 -7.093 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.137 9.360 -3.150 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.715 9.065 -3.213 1.00 0.00 C ATOM 1098 C CYS A 77 -2.546 7.588 -3.581 1.00 0.00 C ATOM 1099 O CYS A 77 -2.820 6.709 -2.765 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.026 9.418 -1.882 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.550 11.172 -1.902 1.00 0.00 S ATOM 0 H CYS A 77 -4.483 9.506 -2.202 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.233 9.675 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.699 9.221 -1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.146 8.792 -1.737 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.970 11.477 -0.779 1.00 0.00 H new ATOM 1107 N ARG A 78 -2.107 7.298 -4.812 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.613 5.975 -5.205 1.00 0.00 C ATOM 1109 C ARG A 78 -0.102 6.033 -5.064 1.00 0.00 C ATOM 1110 O ARG A 78 0.510 7.003 -5.521 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.085 5.619 -6.631 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.570 4.282 -7.220 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.242 4.394 -7.987 1.00 0.00 C ATOM 1114 NE ARG A 78 0.190 3.137 -8.621 1.00 0.00 N ATOM 1115 CZ ARG A 78 -0.171 2.675 -9.825 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -1.235 3.135 -10.475 1.00 0.00 N ATOM 1117 NH2 ARG A 78 0.580 1.743 -10.384 1.00 0.00 N ATOM 0 H ARG A 78 -2.085 7.982 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.008 5.179 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.175 5.594 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.783 6.425 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.447 3.565 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.329 3.878 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.341 5.161 -8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.535 4.729 -7.300 1.00 0.00 H new ATOM 0 HE ARG A 78 0.834 2.555 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.810 3.867 -10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.476 2.756 -11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.408 1.396 -9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.332 1.370 -11.301 1.00 0.00 H new ATOM 1131 N CYS A 79 0.509 5.023 -4.446 1.00 0.00 N ATOM 1132 CA CYS A 79 1.964 4.925 -4.419 1.00 0.00 C ATOM 1133 C CYS A 79 2.319 3.526 -4.876 1.00 0.00 C ATOM 1134 O CYS A 79 1.722 2.562 -4.406 1.00 0.00 O ATOM 1135 CB CYS A 79 2.500 5.230 -3.015 1.00 0.00 C ATOM 1136 SG CYS A 79 4.312 5.272 -2.987 1.00 0.00 S ATOM 0 H CYS A 79 0.023 4.268 -3.962 1.00 0.00 H new ATOM 0 HA CYS A 79 2.424 5.658 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.108 6.189 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.142 4.474 -2.316 1.00 0.00 H new ATOM 0 HG CYS A 79 4.780 4.207 -3.568 1.00 0.00 H new ATOM 1142 N ASP A 80 3.277 3.405 -5.782 1.00 0.00 N ATOM 1143 CA ASP A 80 3.859 2.100 -6.063 1.00 0.00 C ATOM 1144 C ASP A 80 4.892 1.800 -4.974 1.00 0.00 C ATOM 1145 O ASP A 80 5.490 2.708 -4.391 1.00 0.00 O ATOM 1146 CB ASP A 80 4.509 2.100 -7.449 1.00 0.00 C ATOM 1147 CG ASP A 80 3.469 2.013 -8.565 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.463 1.277 -8.436 1.00 0.00 O ATOM 1149 OD2 ASP A 80 3.658 2.682 -9.604 1.00 0.00 O ATOM 0 H ASP A 80 3.662 4.177 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 80 3.088 1.329 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.100 3.008 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.197 1.258 -7.527 1.00 0.00 H new ATOM 1154 N GLY A 81 5.115 0.523 -4.698 1.00 0.00 N ATOM 1155 CA GLY A 81 6.043 0.064 -3.686 1.00 0.00 C ATOM 1156 C GLY A 81 6.272 -1.425 -3.836 1.00 0.00 C ATOM 1157 O GLY A 81 5.885 -2.014 -4.854 1.00 0.00 O ATOM 0 H GLY A 81 4.642 -0.238 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.989 0.598 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.650 0.282 -2.693 1.00 0.00 H new ATOM 1161 N ARG A 82 6.964 -2.027 -2.871 1.00 0.00 N ATOM 1162 CA ARG A 82 7.225 -3.464 -2.840 1.00 0.00 C ATOM 1163 C ARG A 82 6.949 -3.985 -1.442 1.00 0.00 C ATOM 1164 O ARG A 82 6.830 -3.190 -0.519 1.00 0.00 O ATOM 1165 CB ARG A 82 8.652 -3.823 -3.279 1.00 0.00 C ATOM 1166 CG ARG A 82 8.943 -3.342 -4.703 1.00 0.00 C ATOM 1167 CD ARG A 82 9.666 -2.005 -4.737 1.00 0.00 C ATOM 1168 NE ARG A 82 11.103 -2.141 -4.473 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.052 -1.253 -4.770 1.00 0.00 C ATOM 1170 NH1 ARG A 82 11.728 -0.125 -5.394 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.314 -1.530 -4.450 1.00 0.00 N ATOM 0 H ARG A 82 7.364 -1.524 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 82 6.559 -3.940 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.368 -3.376 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.789 -4.903 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.547 -4.089 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.005 -3.257 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.521 -1.541 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.225 -1.337 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 82 11.406 -3.001 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.756 0.059 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.451 0.557 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.541 -2.409 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.054 -0.863 -4.669 1.00 0.00 H new ATOM 1185 N VAL A 83 6.877 -5.300 -1.282 1.00 0.00 N ATOM 1186 CA VAL A 83 6.490 -5.934 -0.020 1.00 0.00 C ATOM 1187 C VAL A 83 7.514 -5.691 1.105 1.00 0.00 C ATOM 1188 O VAL A 83 7.140 -5.673 2.269 1.00 0.00 O ATOM 1189 CB VAL A 83 6.240 -7.422 -0.313 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.055 -8.289 0.930 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.987 -7.562 -1.180 1.00 0.00 C ATOM 0 H VAL A 83 7.086 -5.965 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 83 5.575 -5.483 0.365 1.00 0.00 H new ATOM 0 HB VAL A 83 7.137 -7.778 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.884 -9.323 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.951 -8.234 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.198 -7.930 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.806 -8.616 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.130 -7.145 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.131 -7.025 -2.117 1.00 0.00 H new ATOM 1201 N GLU A 84 8.790 -5.482 0.789 1.00 0.00 N ATOM 1202 CA GLU A 84 9.922 -5.470 1.723 1.00 0.00 C ATOM 1203 C GLU A 84 10.152 -6.841 2.361 1.00 0.00 C ATOM 1204 O GLU A 84 11.213 -7.439 2.180 1.00 0.00 O ATOM 1205 CB GLU A 84 9.798 -4.390 2.813 1.00 0.00 C ATOM 1206 CG GLU A 84 11.201 -4.009 3.326 1.00 0.00 C ATOM 1207 CD GLU A 84 11.275 -3.661 4.811 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.031 -4.558 5.655 1.00 0.00 O ATOM 1209 OE2 GLU A 84 11.717 -2.535 5.135 1.00 0.00 O ATOM 0 H GLU A 84 9.081 -5.307 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 84 10.792 -5.218 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.295 -3.510 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.186 -4.759 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.881 -4.838 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.562 -3.157 2.750 1.00 0.00 H new ATOM 1216 N THR A 85 9.174 -7.302 3.141 1.00 0.00 N ATOM 1217 CA THR A 85 9.220 -8.452 4.019 1.00 0.00 C ATOM 1218 C THR A 85 7.798 -8.991 4.049 1.00 0.00 C ATOM 1219 O THR A 85 6.886 -8.327 4.551 1.00 0.00 O ATOM 1220 CB THR A 85 9.707 -8.023 5.417 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.929 -7.315 5.330 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.954 -9.223 6.331 1.00 0.00 C ATOM 0 H THR A 85 8.265 -6.841 3.171 1.00 0.00 H new ATOM 0 HA THR A 85 9.915 -9.219 3.677 1.00 0.00 H new ATOM 0 HB THR A 85 8.917 -7.396 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.764 -6.359 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.296 -8.874 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.028 -9.785 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.715 -9.867 5.889 1.00 0.00 H new ATOM 1230 N LEU A 86 7.579 -10.161 3.446 1.00 0.00 N ATOM 1231 CA LEU A 86 6.330 -10.866 3.657 1.00 0.00 C ATOM 1232 C LEU A 86 6.457 -11.610 4.979 1.00 0.00 C ATOM 1233 O LEU A 86 7.561 -11.977 5.385 1.00 0.00 O ATOM 1234 CB LEU A 86 6.040 -11.830 2.498 1.00 0.00 C ATOM 1235 CG LEU A 86 4.545 -12.175 2.404 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.818 -11.095 1.601 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.311 -13.525 1.734 1.00 0.00 C ATOM 0 H LEU A 86 8.239 -10.626 2.822 1.00 0.00 H new ATOM 0 HA LEU A 86 5.493 -10.168 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.369 -11.381 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.617 -12.745 2.633 1.00 0.00 H new ATOM 0 HG LEU A 86 4.158 -12.226 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.758 -11.342 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.936 -10.131 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.241 -11.041 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.241 -13.728 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.720 -13.505 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.805 -14.308 2.310 1.00 0.00 H new ATOM 1249 N ARG A 87 5.330 -11.871 5.630 1.00 0.00 N ATOM 1250 CA ARG A 87 5.256 -12.749 6.781 1.00 0.00 C ATOM 1251 C ARG A 87 4.302 -13.868 6.414 1.00 0.00 C ATOM 1252 O ARG A 87 4.746 -14.982 6.153 1.00 0.00 O ATOM 1253 CB ARG A 87 4.861 -11.911 8.005 1.00 0.00 C ATOM 1254 CG ARG A 87 4.529 -12.724 9.255 1.00 0.00 C ATOM 1255 CD ARG A 87 3.737 -11.849 10.229 1.00 0.00 C ATOM 1256 NE ARG A 87 2.956 -12.700 11.127 1.00 0.00 N ATOM 1257 CZ ARG A 87 3.167 -12.882 12.432 1.00 0.00 C ATOM 1258 NH1 ARG A 87 4.056 -12.148 13.086 1.00 0.00 N ATOM 1259 NH2 ARG A 87 2.484 -13.829 13.066 1.00 0.00 N ATOM 0 H ARG A 87 4.430 -11.470 5.365 1.00 0.00 H new ATOM 0 HA ARG A 87 6.202 -13.217 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.677 -11.227 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.997 -11.299 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.949 -13.606 8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.445 -13.077 9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.417 -11.221 10.805 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.076 -11.180 9.678 1.00 0.00 H new ATOM 0 HE ARG A 87 2.172 -13.205 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.589 -11.433 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.207 -12.298 14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.812 -14.402 12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.632 -13.983 14.063 1.00 0.00 H new ATOM 1273 N ASP A 88 3.015 -13.560 6.329 1.00 0.00 N ATOM 1274 CA ASP A 88 1.932 -14.481 6.029 1.00 0.00 C ATOM 1275 C ASP A 88 1.311 -14.080 4.690 1.00 0.00 C ATOM 1276 O ASP A 88 1.647 -13.057 4.096 1.00 0.00 O ATOM 1277 CB ASP A 88 0.858 -14.403 7.134 1.00 0.00 C ATOM 1278 CG ASP A 88 1.256 -15.079 8.440 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.301 -16.331 8.486 1.00 0.00 O ATOM 1280 OD2 ASP A 88 1.390 -14.378 9.465 1.00 0.00 O ATOM 0 H ASP A 88 2.682 -12.607 6.476 1.00 0.00 H new ATOM 0 HA ASP A 88 2.316 -15.500 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.634 -13.355 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.060 -14.861 6.766 1.00 0.00 H new ATOM 1285 N ASP A 89 0.305 -14.837 4.265 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.625 -14.581 3.159 1.00 0.00 C ATOM 1287 C ASP A 89 -1.426 -13.272 3.313 1.00 0.00 C ATOM 1288 O ASP A 89 -2.262 -12.948 2.468 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.601 -15.775 3.077 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.939 -17.087 2.651 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -0.174 -17.068 1.657 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.071 -18.112 3.356 1.00 0.00 O ATOM 0 H ASP A 89 0.097 -15.725 4.723 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.036 -14.469 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.071 -15.915 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.396 -15.534 2.371 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.243 -12.541 4.422 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.205 -11.549 4.897 1.00 0.00 C ATOM 1299 C ARG A 90 -1.581 -10.495 5.800 1.00 0.00 C ATOM 1300 O ARG A 90 -1.959 -9.328 5.731 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.358 -12.268 5.623 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.960 -13.464 6.501 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.164 -14.069 7.233 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.067 -15.539 7.268 1.00 0.00 N ATOM 1305 CZ ARG A 90 -3.069 -16.248 7.805 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -2.259 -15.724 8.715 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -2.877 -17.502 7.426 1.00 0.00 N ATOM 0 H ARG A 90 -0.417 -12.626 5.015 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.582 -11.015 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.877 -11.541 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.072 -12.613 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.492 -14.228 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.215 -13.146 7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.212 -13.678 8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.086 -13.772 6.734 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.832 -16.064 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.390 -14.760 9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.505 -16.285 9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.489 -17.923 6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.117 -18.047 7.833 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.641 -10.889 6.657 1.00 0.00 N ATOM 1322 CA GLN A 91 0.185 -9.971 7.416 1.00 0.00 C ATOM 1323 C GLN A 91 1.499 -9.886 6.672 1.00 0.00 C ATOM 1324 O GLN A 91 2.086 -10.920 6.362 1.00 0.00 O ATOM 1325 CB GLN A 91 0.419 -10.474 8.842 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.882 -10.739 9.601 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.614 -11.086 11.065 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.687 -12.248 11.461 1.00 0.00 O ATOM 1329 NE2 GLN A 91 -0.294 -10.107 11.891 1.00 0.00 N ATOM 0 H GLN A 91 -0.434 -11.871 6.842 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.300 -8.999 7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.006 -11.392 8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.009 -9.739 9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.523 -9.859 9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.422 -11.557 9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.237 -9.148 11.548 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.103 -10.310 12.872 1.00 0.00 H new ATOM 1338 N PHE A 92 1.941 -8.677 6.367 1.00 0.00 N ATOM 1339 CA PHE A 92 3.194 -8.416 5.656 1.00 0.00 C ATOM 1340 C PHE A 92 3.477 -6.916 5.666 1.00 0.00 C ATOM 1341 O PHE A 92 2.649 -6.145 6.159 1.00 0.00 O ATOM 1342 CB PHE A 92 3.110 -8.953 4.218 1.00 0.00 C ATOM 1343 CG PHE A 92 1.840 -8.602 3.472 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.688 -7.318 2.936 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.821 -9.555 3.299 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.505 -6.958 2.273 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.359 -9.208 2.617 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.523 -7.905 2.117 1.00 0.00 C ATOM 0 H PHE A 92 1.432 -7.827 6.610 1.00 0.00 H new ATOM 0 HA PHE A 92 4.014 -8.931 6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.961 -8.571 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.208 -10.038 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.488 -6.599 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.944 -10.554 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.384 -5.958 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.139 -9.942 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.438 -7.631 1.613 1.00 0.00 H new ATOM 1358 N ALA A 93 4.623 -6.506 5.122 1.00 0.00 N ATOM 1359 CA ALA A 93 5.066 -5.122 5.089 1.00 0.00 C ATOM 1360 C ALA A 93 4.896 -4.489 3.696 1.00 0.00 C ATOM 1361 O ALA A 93 4.430 -5.148 2.762 1.00 0.00 O ATOM 1362 CB ALA A 93 6.510 -5.052 5.601 1.00 0.00 C ATOM 0 H ALA A 93 5.282 -7.148 4.682 1.00 0.00 H new ATOM 0 HA ALA A 93 4.434 -4.527 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.853 -4.018 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.552 -5.429 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.152 -5.660 4.964 1.00 0.00 H new ATOM 1368 N ILE A 94 5.273 -3.211 3.554 1.00 0.00 N ATOM 1369 CA ILE A 94 5.446 -2.498 2.292 1.00 0.00 C ATOM 1370 C ILE A 94 6.517 -1.403 2.402 1.00 0.00 C ATOM 1371 O ILE A 94 6.393 -0.504 3.235 1.00 0.00 O ATOM 1372 CB ILE A 94 4.121 -1.882 1.787 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.273 -1.200 2.886 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.322 -2.936 1.009 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.023 -0.492 2.352 1.00 0.00 C ATOM 0 H ILE A 94 5.475 -2.621 4.361 1.00 0.00 H new ATOM 0 HA ILE A 94 5.777 -3.240 1.566 1.00 0.00 H new ATOM 0 HB ILE A 94 4.389 -1.066 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.970 -1.950 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.893 -0.475 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.389 -2.497 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.907 -3.280 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.101 -3.780 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.480 -0.038 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.318 0.282 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.381 -1.216 1.851 1.00 0.00 H new ATOM 1387 N ARG A 95 7.540 -1.426 1.538 1.00 0.00 N ATOM 1388 CA ARG A 95 8.508 -0.340 1.342 1.00 0.00 C ATOM 1389 C ARG A 95 7.966 0.570 0.245 1.00 0.00 C ATOM 1390 O ARG A 95 7.846 0.153 -0.911 1.00 0.00 O ATOM 1391 CB ARG A 95 9.898 -0.901 0.965 1.00 0.00 C ATOM 1392 CG ARG A 95 11.093 -0.072 1.433 1.00 0.00 C ATOM 1393 CD ARG A 95 11.392 1.089 0.484 1.00 0.00 C ATOM 1394 NE ARG A 95 12.521 1.893 0.967 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.821 1.564 0.930 1.00 0.00 C ATOM 1396 NH1 ARG A 95 14.213 0.473 0.274 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.721 2.324 1.550 1.00 0.00 N ATOM 0 H ARG A 95 7.722 -2.229 0.936 1.00 0.00 H new ATOM 0 HA ARG A 95 8.637 0.224 2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.990 -1.905 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.949 -0.999 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.895 0.318 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.971 -0.713 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.617 0.701 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.508 1.720 0.387 1.00 0.00 H new ATOM 0 HE ARG A 95 12.292 2.800 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.525 -0.112 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.201 0.223 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.423 3.159 2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.709 2.072 1.520 1.00 0.00 H new ATOM 1411 N LEU A 96 7.636 1.800 0.621 1.00 0.00 N ATOM 1412 CA LEU A 96 7.146 2.842 -0.273 1.00 0.00 C ATOM 1413 C LEU A 96 8.338 3.419 -1.027 1.00 0.00 C ATOM 1414 O LEU A 96 9.353 3.712 -0.393 1.00 0.00 O ATOM 1415 CB LEU A 96 6.478 3.961 0.550 1.00 0.00 C ATOM 1416 CG LEU A 96 5.437 3.467 1.573 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.830 4.674 2.287 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.342 2.613 0.929 1.00 0.00 C ATOM 0 H LEU A 96 7.705 2.110 1.590 1.00 0.00 H new ATOM 0 HA LEU A 96 6.416 2.427 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.252 4.518 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.994 4.658 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 96 5.945 2.824 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.092 4.334 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.617 5.226 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.348 5.324 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.635 2.291 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.818 3.201 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.792 1.738 0.459 1.00 0.00 H new ATOM 1430 N VAL A 97 8.223 3.617 -2.342 1.00 0.00 N ATOM 1431 CA VAL A 97 9.268 4.234 -3.150 1.00 0.00 C ATOM 1432 C VAL A 97 8.678 5.242 -4.138 1.00 0.00 C ATOM 1433 O VAL A 97 7.462 5.301 -4.337 1.00 0.00 O ATOM 1434 CB VAL A 97 10.104 3.152 -3.856 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.931 2.323 -2.862 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.271 2.219 -4.739 1.00 0.00 C ATOM 0 H VAL A 97 7.396 3.351 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 97 9.935 4.792 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 97 10.781 3.702 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.505 1.572 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.612 2.979 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.263 1.829 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.924 1.481 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.526 1.709 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.770 2.801 -5.512 1.00 0.00 H new ATOM 1446 N GLY A 98 9.538 6.055 -4.754 1.00 0.00 N ATOM 1447 CA GLY A 98 9.203 6.832 -5.937 1.00 0.00 C ATOM 1448 C GLY A 98 8.327 8.043 -5.671 1.00 0.00 C ATOM 1449 O GLY A 98 7.804 8.615 -6.633 1.00 0.00 O ATOM 0 H GLY A 98 10.498 6.190 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.127 7.165 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.696 6.183 -6.650 1.00 0.00 H new ATOM 1453 N ARG A 99 8.215 8.465 -4.409 1.00 0.00 N ATOM 1454 CA ARG A 99 7.303 9.491 -3.906 1.00 0.00 C ATOM 1455 C ARG A 99 5.848 9.036 -4.023 1.00 0.00 C ATOM 1456 O ARG A 99 5.526 8.051 -4.689 1.00 0.00 O ATOM 1457 CB ARG A 99 7.632 10.852 -4.568 1.00 0.00 C ATOM 1458 CG ARG A 99 7.039 12.141 -3.961 1.00 0.00 C ATOM 1459 CD ARG A 99 7.091 12.189 -2.428 1.00 0.00 C ATOM 1460 NE ARG A 99 7.466 13.489 -1.859 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.691 14.563 -1.689 1.00 0.00 C ATOM 1462 NH1 ARG A 99 5.634 14.787 -2.458 1.00 0.00 N ATOM 1463 NH2 ARG A 99 6.987 15.393 -0.700 1.00 0.00 N ATOM 0 H ARG A 99 8.795 8.074 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 99 7.449 9.643 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.717 10.961 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.309 10.799 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.579 13.000 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.002 12.238 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.113 11.907 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.801 11.439 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 99 8.436 13.583 -1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.396 14.131 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.059 15.616 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.787 15.202 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.415 16.223 -0.542 1.00 0.00 H new ATOM 1477 N VAL A 100 4.970 9.746 -3.327 1.00 0.00 N ATOM 1478 CA VAL A 100 3.534 9.541 -3.294 1.00 0.00 C ATOM 1479 C VAL A 100 2.956 10.823 -3.888 1.00 0.00 C ATOM 1480 O VAL A 100 3.418 11.919 -3.543 1.00 0.00 O ATOM 1481 CB VAL A 100 3.056 9.361 -1.839 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.560 9.025 -1.812 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.820 8.298 -1.039 1.00 0.00 C ATOM 0 H VAL A 100 5.262 10.525 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 100 3.224 8.651 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 100 3.257 10.316 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.234 8.900 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.997 9.835 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.385 8.101 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.415 8.242 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.714 7.329 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.875 8.567 -0.992 1.00 0.00 H new ATOM 1493 N ARG A 101 1.951 10.713 -4.748 1.00 0.00 N ATOM 1494 CA ARG A 101 1.218 11.833 -5.296 1.00 0.00 C ATOM 1495 C ARG A 101 -0.243 11.415 -5.393 1.00 0.00 C ATOM 1496 O ARG A 101 -0.551 10.241 -5.614 1.00 0.00 O ATOM 1497 CB ARG A 101 1.846 12.169 -6.660 1.00 0.00 C ATOM 1498 CG ARG A 101 1.227 13.370 -7.391 1.00 0.00 C ATOM 1499 CD ARG A 101 0.885 13.066 -8.865 1.00 0.00 C ATOM 1500 NE ARG A 101 0.931 14.259 -9.713 1.00 0.00 N ATOM 1501 CZ ARG A 101 0.192 15.369 -9.647 1.00 0.00 C ATOM 1502 NH1 ARG A 101 -0.897 15.436 -8.885 1.00 0.00 N ATOM 1503 NH2 ARG A 101 0.591 16.404 -10.375 1.00 0.00 N ATOM 0 H ARG A 101 1.618 9.811 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 101 1.266 12.730 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.909 12.362 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.767 11.293 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.321 13.679 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.920 14.210 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.584 12.324 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.110 12.625 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 101 1.626 14.239 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.184 14.627 -8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.444 16.296 -8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.429 16.329 -10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.060 17.274 -10.358 1.00 0.00 H new