USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 Single : A 1 MET CE :methyl 151:sc= -0.478 (180deg=-1.95!) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.173 (180deg=-1.53!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 10 SER OG : rot -102:sc= 1.1 USER MOD Single : A 16 SER OG : rot -39:sc= 1.06 USER MOD Single : A 17 THR OG1 : rot -160:sc= 0 USER MOD Single : A 20 MET CE :methyl -153:sc= -0.405 (180deg=-1.82!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.607 F(o=-2.4,f=-0.61) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.49 K(o=-1.5,f=-4.2!) USER MOD Single : A 27 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.5!) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot -23:sc= 0.0487 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.011 11.267 14.786 1.00 0.00 N ATOM 2 CA MET A 1 21.349 12.302 13.950 1.00 0.00 C ATOM 3 C MET A 1 20.165 12.908 14.690 1.00 0.00 C ATOM 4 O MET A 1 19.377 12.221 15.310 1.00 0.00 O ATOM 5 CB MET A 1 20.876 11.577 12.696 1.00 0.00 C ATOM 6 CG MET A 1 19.982 10.406 13.085 1.00 0.00 C ATOM 7 SD MET A 1 19.414 9.555 11.592 1.00 0.00 S ATOM 8 CE MET A 1 21.046 9.114 10.950 1.00 0.00 C ATOM 0 H1 MET A 1 22.435 10.543 14.171 1.00 0.00 H new ATOM 0 H2 MET A 1 22.754 11.710 15.363 1.00 0.00 H new ATOM 0 H3 MET A 1 21.308 10.823 15.410 1.00 0.00 H new ATOM 0 HA MET A 1 22.028 13.120 13.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.330 12.265 12.051 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.733 11.219 12.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.530 9.714 13.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.127 10.763 13.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.971 8.197 10.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.418 9.919 10.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.734 8.959 11.781 1.00 0.00 H new ATOM 20 N ASP A 2 20.040 14.193 14.616 1.00 0.00 N ATOM 21 CA ASP A 2 18.908 14.883 15.298 1.00 0.00 C ATOM 22 C ASP A 2 18.077 15.649 14.268 1.00 0.00 C ATOM 23 O ASP A 2 16.863 15.656 14.313 1.00 0.00 O ATOM 24 CB ASP A 2 19.563 15.847 16.288 1.00 0.00 C ATOM 25 CG ASP A 2 20.429 15.059 17.272 1.00 0.00 C ATOM 26 OD1 ASP A 2 21.358 14.410 16.824 1.00 0.00 O ATOM 27 OD2 ASP A 2 20.147 15.120 18.458 1.00 0.00 O ATOM 0 H ASP A 2 20.676 14.808 14.109 1.00 0.00 H new ATOM 0 HA ASP A 2 18.237 14.187 15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.173 16.575 15.753 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.798 16.406 16.827 1.00 0.00 H new ATOM 32 N LYS A 3 18.726 16.292 13.337 1.00 0.00 N ATOM 33 CA LYS A 3 17.994 17.055 12.298 1.00 0.00 C ATOM 34 C LYS A 3 18.186 16.394 10.931 1.00 0.00 C ATOM 35 O LYS A 3 17.333 16.465 10.070 1.00 0.00 O ATOM 36 CB LYS A 3 18.630 18.436 12.327 1.00 0.00 C ATOM 37 CG LYS A 3 18.089 19.267 11.172 1.00 0.00 C ATOM 38 CD LYS A 3 18.764 20.639 11.159 1.00 0.00 C ATOM 39 CE LYS A 3 18.471 21.366 12.472 1.00 0.00 C ATOM 40 NZ LYS A 3 19.173 22.674 12.349 1.00 0.00 N ATOM 0 H LYS A 3 19.742 16.319 13.254 1.00 0.00 H new ATOM 0 HA LYS A 3 16.920 17.095 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 3 18.414 18.928 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 3 19.714 18.351 12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.269 18.754 10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.010 19.384 11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 3 19.840 20.525 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.400 21.227 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.400 21.504 12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.838 20.799 13.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.020 23.233 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.192 22.510 12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.798 23.193 11.530 1.00 0.00 H new ATOM 54 N VAL A 4 19.304 15.753 10.724 1.00 0.00 N ATOM 55 CA VAL A 4 19.550 15.094 9.410 1.00 0.00 C ATOM 56 C VAL A 4 18.397 14.151 9.065 1.00 0.00 C ATOM 57 O VAL A 4 18.054 13.971 7.913 1.00 0.00 O ATOM 58 CB VAL A 4 20.845 14.316 9.593 1.00 0.00 C ATOM 59 CG1 VAL A 4 21.200 13.597 8.290 1.00 0.00 C ATOM 60 CG2 VAL A 4 21.972 15.278 9.971 1.00 0.00 C ATOM 0 H VAL A 4 20.056 15.657 11.406 1.00 0.00 H new ATOM 0 HA VAL A 4 19.622 15.814 8.595 1.00 0.00 H new ATOM 0 HB VAL A 4 20.716 13.581 10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 4 22.128 13.040 8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 4 20.398 12.908 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 4 21.327 14.330 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 4 22.899 14.719 10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 4 22.102 16.016 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 4 21.720 15.786 10.902 1.00 0.00 H new ATOM 70 N GLN A 5 17.797 13.545 10.052 1.00 0.00 N ATOM 71 CA GLN A 5 16.672 12.610 9.776 1.00 0.00 C ATOM 72 C GLN A 5 15.450 13.382 9.266 1.00 0.00 C ATOM 73 O GLN A 5 14.774 12.951 8.352 1.00 0.00 O ATOM 74 CB GLN A 5 16.372 11.933 11.119 1.00 0.00 C ATOM 75 CG GLN A 5 15.905 12.973 12.143 1.00 0.00 C ATOM 76 CD GLN A 5 15.679 12.293 13.494 1.00 0.00 C ATOM 77 OE1 GLN A 5 16.356 12.697 14.535 1.00 0.00 O flip ATOM 78 NE2 GLN A 5 14.878 11.387 13.606 1.00 0.00 N flip ATOM 0 H GLN A 5 18.037 13.657 11.037 1.00 0.00 H new ATOM 0 HA GLN A 5 16.923 11.880 9.006 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.604 11.171 10.987 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.264 11.426 11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.650 13.762 12.241 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.983 13.445 11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.349 11.071 12.793 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.735 10.942 14.513 1.00 0.00 H new ATOM 87 N TYR A 6 15.160 14.516 9.842 1.00 0.00 N ATOM 88 CA TYR A 6 13.985 15.302 9.383 1.00 0.00 C ATOM 89 C TYR A 6 14.374 16.157 8.176 1.00 0.00 C ATOM 90 O TYR A 6 13.596 16.358 7.267 1.00 0.00 O ATOM 91 CB TYR A 6 13.598 16.177 10.580 1.00 0.00 C ATOM 92 CG TYR A 6 12.368 16.995 10.248 1.00 0.00 C ATOM 93 CD1 TYR A 6 12.431 18.022 9.294 1.00 0.00 C ATOM 94 CD2 TYR A 6 11.156 16.714 10.891 1.00 0.00 C ATOM 95 CE1 TYR A 6 11.284 18.764 8.987 1.00 0.00 C ATOM 96 CE2 TYR A 6 10.010 17.459 10.583 1.00 0.00 C ATOM 97 CZ TYR A 6 10.075 18.483 9.631 1.00 0.00 C ATOM 98 OH TYR A 6 8.945 19.215 9.328 1.00 0.00 O ATOM 0 H TYR A 6 15.687 14.931 10.611 1.00 0.00 H new ATOM 0 HA TYR A 6 13.154 14.671 9.067 1.00 0.00 H new ATOM 0 HB2 TYR A 6 13.404 15.551 11.451 1.00 0.00 H new ATOM 0 HB3 TYR A 6 14.425 16.838 10.840 1.00 0.00 H new ATOM 0 HD1 TYR A 6 13.364 18.240 8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.105 15.923 11.624 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.333 19.554 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.076 17.243 11.080 1.00 0.00 H new ATOM 0 HH TYR A 6 8.191 18.890 9.864 1.00 0.00 H new ATOM 108 N LEU A 7 15.577 16.665 8.167 1.00 0.00 N ATOM 109 CA LEU A 7 16.023 17.508 7.024 1.00 0.00 C ATOM 110 C LEU A 7 15.863 16.732 5.714 1.00 0.00 C ATOM 111 O LEU A 7 15.544 17.294 4.686 1.00 0.00 O ATOM 112 CB LEU A 7 17.492 17.811 7.324 1.00 0.00 C ATOM 113 CG LEU A 7 18.054 18.843 6.332 1.00 0.00 C ATOM 114 CD1 LEU A 7 19.444 19.284 6.798 1.00 0.00 C ATOM 115 CD2 LEU A 7 18.163 18.237 4.932 1.00 0.00 C ATOM 0 H LEU A 7 16.270 16.532 8.903 1.00 0.00 H new ATOM 0 HA LEU A 7 15.441 18.423 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.589 18.189 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.076 16.892 7.268 1.00 0.00 H new ATOM 0 HG LEU A 7 17.380 19.699 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.847 20.016 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.370 19.732 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.105 18.419 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.562 18.982 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.829 17.374 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.176 17.923 4.594 1.00 0.00 H new ATOM 127 N THR A 8 16.086 15.448 5.738 1.00 0.00 N ATOM 128 CA THR A 8 15.950 14.647 4.489 1.00 0.00 C ATOM 129 C THR A 8 14.475 14.456 4.135 1.00 0.00 C ATOM 130 O THR A 8 14.110 14.392 2.979 1.00 0.00 O ATOM 131 CB THR A 8 16.586 13.300 4.811 1.00 0.00 C ATOM 132 OG1 THR A 8 17.920 13.500 5.262 1.00 0.00 O ATOM 133 CG2 THR A 8 16.596 12.428 3.557 1.00 0.00 C ATOM 0 H THR A 8 16.356 14.919 6.567 1.00 0.00 H new ATOM 0 HA THR A 8 16.424 15.137 3.639 1.00 0.00 H new ATOM 0 HB THR A 8 16.010 12.804 5.592 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.924 13.605 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.051 11.465 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.573 12.273 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.171 12.923 2.774 1.00 0.00 H new ATOM 141 N ARG A 9 13.621 14.359 5.120 1.00 0.00 N ATOM 142 CA ARG A 9 12.168 14.166 4.839 1.00 0.00 C ATOM 143 C ARG A 9 11.689 15.192 3.815 1.00 0.00 C ATOM 144 O ARG A 9 10.853 14.909 2.979 1.00 0.00 O ATOM 145 CB ARG A 9 11.475 14.381 6.179 1.00 0.00 C ATOM 146 CG ARG A 9 9.953 14.244 6.015 1.00 0.00 C ATOM 147 CD ARG A 9 9.560 12.886 5.399 1.00 0.00 C ATOM 148 NE ARG A 9 9.803 11.844 6.445 1.00 0.00 N ATOM 149 CZ ARG A 9 11.016 11.512 6.794 1.00 0.00 C ATOM 150 NH1 ARG A 9 11.852 11.060 5.898 1.00 0.00 N ATOM 151 NH2 ARG A 9 11.394 11.630 8.037 1.00 0.00 N ATOM 0 H ARG A 9 13.868 14.405 6.109 1.00 0.00 H new ATOM 0 HA ARG A 9 11.954 13.181 4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.837 13.653 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.719 15.369 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.472 14.354 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.582 15.050 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.514 12.889 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.152 12.682 4.507 1.00 0.00 H new ATOM 0 HE ARG A 9 9.009 11.386 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.557 10.967 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.800 10.800 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.741 11.982 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.342 11.370 8.309 1.00 0.00 H new ATOM 165 N SER A 10 12.218 16.377 3.871 1.00 0.00 N ATOM 166 CA SER A 10 11.806 17.421 2.900 1.00 0.00 C ATOM 167 C SER A 10 12.192 16.998 1.478 1.00 0.00 C ATOM 168 O SER A 10 11.706 17.541 0.507 1.00 0.00 O ATOM 169 CB SER A 10 12.572 18.676 3.315 1.00 0.00 C ATOM 170 OG SER A 10 13.967 18.421 3.234 1.00 0.00 O ATOM 0 H SER A 10 12.921 16.669 4.550 1.00 0.00 H new ATOM 0 HA SER A 10 10.729 17.586 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.305 19.510 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.301 18.962 4.331 1.00 0.00 H new ATOM 0 HG SER A 10 14.323 18.258 4.133 1.00 0.00 H new ATOM 176 N ALA A 11 13.069 16.034 1.348 1.00 0.00 N ATOM 177 CA ALA A 11 13.484 15.589 -0.008 1.00 0.00 C ATOM 178 C ALA A 11 12.575 14.463 -0.513 1.00 0.00 C ATOM 179 O ALA A 11 12.481 14.216 -1.700 1.00 0.00 O ATOM 180 CB ALA A 11 14.917 15.083 0.164 1.00 0.00 C ATOM 0 H ALA A 11 13.512 15.540 2.123 1.00 0.00 H new ATOM 0 HA ALA A 11 13.416 16.395 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.298 14.735 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.547 15.893 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.929 14.260 0.879 1.00 0.00 H new ATOM 186 N ILE A 12 11.912 13.770 0.373 1.00 0.00 N ATOM 187 CA ILE A 12 11.026 12.661 -0.068 1.00 0.00 C ATOM 188 C ILE A 12 9.593 13.164 -0.277 1.00 0.00 C ATOM 189 O ILE A 12 8.944 12.819 -1.247 1.00 0.00 O ATOM 190 CB ILE A 12 11.074 11.610 1.047 1.00 0.00 C ATOM 191 CG1 ILE A 12 12.472 10.976 1.136 1.00 0.00 C ATOM 192 CG2 ILE A 12 10.049 10.508 0.769 1.00 0.00 C ATOM 193 CD1 ILE A 12 13.485 11.988 1.677 1.00 0.00 C ATOM 0 H ILE A 12 11.947 13.925 1.381 1.00 0.00 H new ATOM 0 HA ILE A 12 11.356 12.244 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 12 10.843 12.105 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.441 10.101 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.785 10.630 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.089 9.765 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.050 10.942 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.277 10.031 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.469 11.523 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.529 12.850 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.179 12.313 2.672 1.00 0.00 H new ATOM 205 N ARG A 13 9.090 13.971 0.617 1.00 0.00 N ATOM 206 CA ARG A 13 7.697 14.481 0.452 1.00 0.00 C ATOM 207 C ARG A 13 7.537 15.140 -0.918 1.00 0.00 C ATOM 208 O ARG A 13 6.539 14.968 -1.587 1.00 0.00 O ATOM 209 CB ARG A 13 7.502 15.508 1.571 1.00 0.00 C ATOM 210 CG ARG A 13 7.633 14.819 2.935 1.00 0.00 C ATOM 211 CD ARG A 13 7.406 15.842 4.053 1.00 0.00 C ATOM 212 NE ARG A 13 6.012 16.324 3.861 1.00 0.00 N ATOM 213 CZ ARG A 13 5.507 17.210 4.676 1.00 0.00 C ATOM 214 NH1 ARG A 13 5.725 17.116 5.959 1.00 0.00 N ATOM 215 NH2 ARG A 13 4.783 18.189 4.208 1.00 0.00 N ATOM 0 H ARG A 13 9.579 14.298 1.450 1.00 0.00 H new ATOM 0 HA ARG A 13 6.959 13.681 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.243 16.302 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.521 15.975 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.907 14.010 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.622 14.371 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.534 15.387 5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.120 16.663 3.987 1.00 0.00 H new ATOM 0 HE ARG A 13 5.450 15.962 3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.290 16.350 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.330 17.808 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.611 18.262 3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.388 18.881 4.845 1.00 0.00 H new ATOM 229 N ARG A 14 8.516 15.889 -1.341 1.00 0.00 N ATOM 230 CA ARG A 14 8.422 16.556 -2.669 1.00 0.00 C ATOM 231 C ARG A 14 8.205 15.514 -3.772 1.00 0.00 C ATOM 232 O ARG A 14 7.770 15.833 -4.861 1.00 0.00 O ATOM 233 CB ARG A 14 9.767 17.261 -2.857 1.00 0.00 C ATOM 234 CG ARG A 14 9.952 18.321 -1.769 1.00 0.00 C ATOM 235 CD ARG A 14 11.331 18.970 -1.915 1.00 0.00 C ATOM 236 NE ARG A 14 11.328 19.590 -3.270 1.00 0.00 N ATOM 237 CZ ARG A 14 12.397 20.195 -3.712 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.801 21.302 -3.150 1.00 0.00 N ATOM 239 NH2 ARG A 14 13.061 19.692 -4.717 1.00 0.00 N ATOM 0 H ARG A 14 9.377 16.068 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 14 7.586 17.253 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.578 16.535 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.810 17.726 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.172 19.078 -1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.855 17.866 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.499 19.718 -1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.126 18.231 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 14 10.491 19.542 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.281 21.695 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.636 21.774 -3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.744 18.827 -5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.896 20.164 -5.063 1.00 0.00 H new ATOM 253 N ALA A 15 8.512 14.273 -3.504 1.00 0.00 N ATOM 254 CA ALA A 15 8.334 13.221 -4.539 1.00 0.00 C ATOM 255 C ALA A 15 7.006 12.477 -4.348 1.00 0.00 C ATOM 256 O ALA A 15 6.555 11.771 -5.228 1.00 0.00 O ATOM 257 CB ALA A 15 9.513 12.269 -4.335 1.00 0.00 C ATOM 0 H ALA A 15 8.879 13.945 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 15 8.307 13.642 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.457 11.459 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.448 12.813 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.476 11.855 -3.328 1.00 0.00 H new ATOM 263 N SER A 16 6.378 12.620 -3.213 1.00 0.00 N ATOM 264 CA SER A 16 5.090 11.912 -2.990 1.00 0.00 C ATOM 265 C SER A 16 4.043 12.851 -2.385 1.00 0.00 C ATOM 266 O SER A 16 3.046 12.416 -1.845 1.00 0.00 O ATOM 267 CB SER A 16 5.418 10.783 -2.027 1.00 0.00 C ATOM 268 OG SER A 16 4.237 10.044 -1.745 1.00 0.00 O ATOM 0 H SER A 16 6.701 13.194 -2.435 1.00 0.00 H new ATOM 0 HA SER A 16 4.666 11.543 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.175 10.129 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.836 11.187 -1.105 1.00 0.00 H new ATOM 0 HG SER A 16 3.478 10.659 -1.664 1.00 0.00 H new ATOM 274 N THR A 17 4.256 14.133 -2.474 1.00 0.00 N ATOM 275 CA THR A 17 3.269 15.088 -1.908 1.00 0.00 C ATOM 276 C THR A 17 2.861 16.127 -2.959 1.00 0.00 C ATOM 277 O THR A 17 1.775 16.672 -2.913 1.00 0.00 O ATOM 278 CB THR A 17 3.985 15.757 -0.735 1.00 0.00 C ATOM 279 OG1 THR A 17 4.367 14.767 0.210 1.00 0.00 O ATOM 280 CG2 THR A 17 3.049 16.767 -0.071 1.00 0.00 C ATOM 0 H THR A 17 5.071 14.560 -2.914 1.00 0.00 H new ATOM 0 HA THR A 17 2.353 14.589 -1.592 1.00 0.00 H new ATOM 0 HB THR A 17 4.873 16.275 -1.098 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.529 15.190 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.561 17.243 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.758 17.526 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.159 16.254 0.294 1.00 0.00 H new ATOM 288 N ILE A 18 3.714 16.407 -3.907 1.00 0.00 N ATOM 289 CA ILE A 18 3.363 17.405 -4.948 1.00 0.00 C ATOM 290 C ILE A 18 2.837 16.709 -6.207 1.00 0.00 C ATOM 291 O ILE A 18 2.218 17.325 -7.052 1.00 0.00 O ATOM 292 CB ILE A 18 4.659 18.140 -5.249 1.00 0.00 C ATOM 293 CG1 ILE A 18 5.173 18.816 -3.975 1.00 0.00 C ATOM 294 CG2 ILE A 18 4.409 19.198 -6.326 1.00 0.00 C ATOM 295 CD1 ILE A 18 6.473 19.563 -4.277 1.00 0.00 C ATOM 0 H ILE A 18 4.638 15.986 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 18 2.578 18.082 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 18 5.404 17.429 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.424 19.509 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.343 18.070 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.339 19.725 -6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.047 18.715 -7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.663 19.909 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.836 20.043 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.222 18.859 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.289 20.321 -5.039 1.00 0.00 H new ATOM 307 N GLU A 19 3.085 15.435 -6.347 1.00 0.00 N ATOM 308 CA GLU A 19 2.606 14.715 -7.557 1.00 0.00 C ATOM 309 C GLU A 19 1.371 13.868 -7.243 1.00 0.00 C ATOM 310 O GLU A 19 0.519 13.666 -8.086 1.00 0.00 O ATOM 311 CB GLU A 19 3.770 13.828 -7.974 1.00 0.00 C ATOM 312 CG GLU A 19 3.382 13.025 -9.218 1.00 0.00 C ATOM 313 CD GLU A 19 4.545 12.118 -9.637 1.00 0.00 C ATOM 314 OE1 GLU A 19 5.569 12.150 -8.974 1.00 0.00 O ATOM 315 OE2 GLU A 19 4.392 11.408 -10.616 1.00 0.00 O ATOM 0 H GLU A 19 3.598 14.864 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 19 2.309 15.406 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.649 14.438 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.036 13.153 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.496 12.424 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.125 13.702 -10.033 1.00 0.00 H new ATOM 322 N MET A 20 1.266 13.359 -6.045 1.00 0.00 N ATOM 323 CA MET A 20 0.086 12.515 -5.702 1.00 0.00 C ATOM 324 C MET A 20 -0.579 13.000 -4.409 1.00 0.00 C ATOM 325 O MET A 20 -0.816 12.220 -3.508 1.00 0.00 O ATOM 326 CB MET A 20 0.645 11.113 -5.523 1.00 0.00 C ATOM 327 CG MET A 20 1.311 10.669 -6.823 1.00 0.00 C ATOM 328 SD MET A 20 1.928 8.977 -6.638 1.00 0.00 S ATOM 329 CE MET A 20 3.075 9.299 -5.276 1.00 0.00 C ATOM 0 H MET A 20 1.942 13.490 -5.293 1.00 0.00 H new ATOM 0 HA MET A 20 -0.681 12.557 -6.475 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.367 11.098 -4.707 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.154 10.421 -5.255 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.597 10.719 -7.645 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.132 11.342 -7.072 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.885 8.571 -5.303 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.486 10.303 -5.376 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.545 9.217 -4.327 1.00 0.00 H new ATOM 339 N PRO A 21 -0.869 14.275 -4.359 1.00 0.00 N ATOM 340 CA PRO A 21 -1.523 14.851 -3.161 1.00 0.00 C ATOM 341 C PRO A 21 -2.996 14.436 -3.108 1.00 0.00 C ATOM 342 O PRO A 21 -3.620 14.457 -2.067 1.00 0.00 O ATOM 343 CB PRO A 21 -1.390 16.356 -3.369 1.00 0.00 C ATOM 344 CG PRO A 21 -1.260 16.536 -4.844 1.00 0.00 C ATOM 345 CD PRO A 21 -0.621 15.286 -5.392 1.00 0.00 C ATOM 0 HA PRO A 21 -1.077 14.515 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.261 16.886 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.519 16.751 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.237 16.700 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.651 17.411 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.063 14.998 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.446 15.426 -5.564 1.00 0.00 H new ATOM 353 N GLN A 22 -3.556 14.060 -4.226 1.00 0.00 N ATOM 354 CA GLN A 22 -4.987 13.645 -4.240 1.00 0.00 C ATOM 355 C GLN A 22 -5.103 12.120 -4.300 1.00 0.00 C ATOM 356 O GLN A 22 -6.020 11.537 -3.760 1.00 0.00 O ATOM 357 CB GLN A 22 -5.572 14.277 -5.497 1.00 0.00 C ATOM 358 CG GLN A 22 -5.477 15.804 -5.403 1.00 0.00 C ATOM 359 CD GLN A 22 -6.364 16.338 -4.266 1.00 0.00 C ATOM 360 OE1 GLN A 22 -7.188 15.542 -3.630 1.00 0.00 O flip ATOM 361 NE2 GLN A 22 -6.326 17.516 -3.968 1.00 0.00 N flip ATOM 0 H GLN A 22 -3.084 14.022 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.514 13.964 -3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.034 13.924 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.612 13.975 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.442 16.098 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.783 16.251 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.689 18.145 -4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.931 17.875 -3.230 1.00 0.00 H new ATOM 370 N GLN A 23 -4.181 11.467 -4.953 1.00 0.00 N ATOM 371 CA GLN A 23 -4.244 9.984 -5.043 1.00 0.00 C ATOM 372 C GLN A 23 -3.632 9.351 -3.792 1.00 0.00 C ATOM 373 O GLN A 23 -4.161 8.408 -3.243 1.00 0.00 O ATOM 374 CB GLN A 23 -3.434 9.625 -6.280 1.00 0.00 C ATOM 375 CG GLN A 23 -3.447 8.107 -6.481 1.00 0.00 C ATOM 376 CD GLN A 23 -2.619 7.748 -7.717 1.00 0.00 C ATOM 377 OE1 GLN A 23 -1.438 8.030 -7.775 1.00 0.00 O ATOM 378 NE2 GLN A 23 -3.190 7.132 -8.715 1.00 0.00 N ATOM 0 H GLN A 23 -3.388 11.898 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.269 9.619 -5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.851 10.121 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.409 9.979 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.040 7.610 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.471 7.754 -6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.181 6.895 -8.668 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.646 6.888 -9.542 1.00 0.00 H new ATOM 387 N ALA A 24 -2.523 9.864 -3.333 1.00 0.00 N ATOM 388 CA ALA A 24 -1.893 9.290 -2.113 1.00 0.00 C ATOM 389 C ALA A 24 -2.845 9.438 -0.927 1.00 0.00 C ATOM 390 O ALA A 24 -3.044 8.517 -0.158 1.00 0.00 O ATOM 391 CB ALA A 24 -0.624 10.114 -1.890 1.00 0.00 C ATOM 0 H ALA A 24 -2.028 10.653 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.668 8.229 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.104 9.748 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.028 10.020 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.891 11.161 -1.748 1.00 0.00 H new ATOM 397 N ARG A 25 -3.444 10.588 -0.778 1.00 0.00 N ATOM 398 CA ARG A 25 -4.391 10.791 0.352 1.00 0.00 C ATOM 399 C ARG A 25 -5.539 9.784 0.253 1.00 0.00 C ATOM 400 O ARG A 25 -5.849 9.082 1.196 1.00 0.00 O ATOM 401 CB ARG A 25 -4.908 12.213 0.184 1.00 0.00 C ATOM 402 CG ARG A 25 -5.869 12.553 1.326 1.00 0.00 C ATOM 403 CD ARG A 25 -6.390 13.982 1.141 1.00 0.00 C ATOM 404 NE ARG A 25 -7.295 14.226 2.301 1.00 0.00 N ATOM 405 CZ ARG A 25 -6.823 14.206 3.520 1.00 0.00 C ATOM 406 NH1 ARG A 25 -6.010 15.145 3.921 1.00 0.00 N ATOM 407 NH2 ARG A 25 -7.165 13.248 4.336 1.00 0.00 N ATOM 0 H ARG A 25 -3.318 11.394 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.919 10.646 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.074 12.915 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.417 12.314 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.701 11.849 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.359 12.461 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.570 14.700 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.924 14.086 0.197 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.286 14.409 2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.743 15.895 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.642 15.129 4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.801 12.514 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.797 13.232 5.287 1.00 0.00 H new ATOM 421 N GLN A 26 -6.167 9.704 -0.888 1.00 0.00 N ATOM 422 CA GLN A 26 -7.290 8.745 -1.061 1.00 0.00 C ATOM 423 C GLN A 26 -6.761 7.310 -1.055 1.00 0.00 C ATOM 424 O GLN A 26 -7.259 6.455 -0.347 1.00 0.00 O ATOM 425 CB GLN A 26 -7.892 9.083 -2.418 1.00 0.00 C ATOM 426 CG GLN A 26 -8.348 10.545 -2.442 1.00 0.00 C ATOM 427 CD GLN A 26 -9.441 10.778 -1.395 1.00 0.00 C ATOM 428 OE1 GLN A 26 -9.210 10.640 -0.212 1.00 0.00 O ATOM 429 NE2 GLN A 26 -10.635 11.131 -1.785 1.00 0.00 N ATOM 0 H GLN A 26 -5.948 10.265 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.024 8.819 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.157 8.910 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.738 8.427 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.500 11.201 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.724 10.800 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.833 11.248 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.370 11.290 -1.096 1.00 0.00 H new ATOM 438 N ASN A 27 -5.754 7.043 -1.839 1.00 0.00 N ATOM 439 CA ASN A 27 -5.183 5.665 -1.886 1.00 0.00 C ATOM 440 C ASN A 27 -4.900 5.157 -0.470 1.00 0.00 C ATOM 441 O ASN A 27 -4.965 3.974 -0.200 1.00 0.00 O ATOM 442 CB ASN A 27 -3.888 5.797 -2.673 1.00 0.00 C ATOM 443 CG ASN A 27 -3.204 4.432 -2.768 1.00 0.00 C ATOM 444 OD1 ASN A 27 -2.853 3.845 -1.764 1.00 0.00 O ATOM 445 ND2 ASN A 27 -2.999 3.897 -3.940 1.00 0.00 N ATOM 0 H ASN A 27 -5.300 7.720 -2.451 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.868 4.954 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.095 6.182 -3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.226 6.514 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.544 2.987 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.293 4.389 -4.784 1.00 0.00 H new ATOM 452 N LEU A 28 -4.587 6.044 0.435 1.00 0.00 N ATOM 453 CA LEU A 28 -4.302 5.615 1.832 1.00 0.00 C ATOM 454 C LEU A 28 -5.482 4.794 2.364 1.00 0.00 C ATOM 455 O LEU A 28 -5.310 3.855 3.116 1.00 0.00 O ATOM 456 CB LEU A 28 -4.136 6.917 2.613 1.00 0.00 C ATOM 457 CG LEU A 28 -3.516 6.652 3.995 1.00 0.00 C ATOM 458 CD1 LEU A 28 -4.467 5.813 4.854 1.00 0.00 C ATOM 459 CD2 LEU A 28 -2.193 5.899 3.823 1.00 0.00 C ATOM 0 H LEU A 28 -4.517 7.047 0.266 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.416 4.986 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.503 7.604 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.105 7.401 2.732 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.339 7.607 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.014 5.634 5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.408 6.348 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.657 4.859 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.752 5.710 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.377 4.950 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.507 6.500 3.226 1.00 0.00 H new ATOM 471 N GLN A 29 -6.679 5.140 1.977 1.00 0.00 N ATOM 472 CA GLN A 29 -7.867 4.381 2.454 1.00 0.00 C ATOM 473 C GLN A 29 -7.900 2.988 1.825 1.00 0.00 C ATOM 474 O GLN A 29 -8.377 2.041 2.418 1.00 0.00 O ATOM 475 CB GLN A 29 -9.067 5.199 2.003 1.00 0.00 C ATOM 476 CG GLN A 29 -9.025 6.584 2.653 1.00 0.00 C ATOM 477 CD GLN A 29 -10.236 7.428 2.220 1.00 0.00 C ATOM 478 OE1 GLN A 29 -11.136 6.936 1.400 1.00 0.00 O flip ATOM 479 NE2 GLN A 29 -10.370 8.560 2.641 1.00 0.00 N flip ATOM 0 H GLN A 29 -6.885 5.917 1.350 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.854 4.237 3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.065 5.297 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.990 4.687 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.017 6.481 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.103 7.094 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.677 8.952 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.175 9.118 2.357 1.00 0.00 H new ATOM 488 N ASN A 30 -7.401 2.855 0.627 1.00 0.00 N ATOM 489 CA ASN A 30 -7.410 1.523 -0.037 1.00 0.00 C ATOM 490 C ASN A 30 -6.641 0.501 0.802 1.00 0.00 C ATOM 491 O ASN A 30 -6.963 -0.671 0.818 1.00 0.00 O ATOM 492 CB ASN A 30 -6.726 1.741 -1.378 1.00 0.00 C ATOM 493 CG ASN A 30 -6.682 0.424 -2.154 1.00 0.00 C ATOM 494 OD1 ASN A 30 -7.708 -0.154 -2.451 1.00 0.00 O ATOM 495 ND2 ASN A 30 -5.527 -0.079 -2.496 1.00 0.00 N ATOM 0 H ASN A 30 -6.988 3.611 0.080 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.421 1.133 -0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.263 2.495 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.715 2.118 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.486 -0.957 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.665 0.406 -2.247 1.00 0.00 H new ATOM 502 N LEU A 31 -5.629 0.933 1.501 1.00 0.00 N ATOM 503 CA LEU A 31 -4.848 -0.018 2.338 1.00 0.00 C ATOM 504 C LEU A 31 -5.746 -0.645 3.406 1.00 0.00 C ATOM 505 O LEU A 31 -5.553 -1.776 3.807 1.00 0.00 O ATOM 506 CB LEU A 31 -3.752 0.821 2.981 1.00 0.00 C ATOM 507 CG LEU A 31 -2.888 -0.067 3.877 1.00 0.00 C ATOM 508 CD1 LEU A 31 -2.269 -1.191 3.044 1.00 0.00 C ATOM 509 CD2 LEU A 31 -1.773 0.772 4.500 1.00 0.00 C ATOM 0 H LEU A 31 -5.310 1.901 1.529 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.436 -0.839 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.137 1.287 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.193 1.627 3.567 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.508 -0.497 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.654 -1.822 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.061 -1.791 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.650 -0.762 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.156 0.140 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.156 1.201 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.210 1.574 5.095 1.00 0.00 H new ATOM 521 N PHE A 32 -6.730 0.078 3.869 1.00 0.00 N ATOM 522 CA PHE A 32 -7.634 -0.479 4.906 1.00 0.00 C ATOM 523 C PHE A 32 -8.676 -1.400 4.266 1.00 0.00 C ATOM 524 O PHE A 32 -8.839 -2.536 4.662 1.00 0.00 O ATOM 525 CB PHE A 32 -8.308 0.730 5.558 1.00 0.00 C ATOM 526 CG PHE A 32 -7.271 1.558 6.281 1.00 0.00 C ATOM 527 CD1 PHE A 32 -6.478 0.971 7.277 1.00 0.00 C ATOM 528 CD2 PHE A 32 -7.106 2.910 5.964 1.00 0.00 C ATOM 529 CE1 PHE A 32 -5.522 1.737 7.954 1.00 0.00 C ATOM 530 CE2 PHE A 32 -6.149 3.678 6.642 1.00 0.00 C ATOM 531 CZ PHE A 32 -5.356 3.090 7.634 1.00 0.00 C ATOM 0 H PHE A 32 -6.944 1.030 3.572 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.091 -1.077 5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.807 1.334 4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.076 0.398 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.605 -0.073 7.522 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.716 3.363 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.913 1.285 8.723 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.024 4.723 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.615 3.680 8.153 1.00 0.00 H new ATOM 541 N ILE A 33 -9.381 -0.922 3.277 1.00 0.00 N ATOM 542 CA ILE A 33 -10.406 -1.780 2.619 1.00 0.00 C ATOM 543 C ILE A 33 -9.726 -2.975 1.944 1.00 0.00 C ATOM 544 O ILE A 33 -10.232 -4.079 1.952 1.00 0.00 O ATOM 545 CB ILE A 33 -11.079 -0.883 1.578 1.00 0.00 C ATOM 546 CG1 ILE A 33 -12.196 -1.663 0.882 1.00 0.00 C ATOM 547 CG2 ILE A 33 -10.047 -0.440 0.537 1.00 0.00 C ATOM 548 CD1 ILE A 33 -12.898 -0.761 -0.135 1.00 0.00 C ATOM 0 H ILE A 33 -9.292 0.021 2.898 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.130 -2.179 3.329 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.496 -0.006 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.784 -2.539 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -12.914 -2.025 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.528 0.199 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.248 0.114 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.629 -1.317 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.693 -1.320 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -13.325 0.101 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.177 -0.421 -0.879 1.00 0.00 H new ATOM 560 N ASN A 34 -8.575 -2.761 1.365 1.00 0.00 N ATOM 561 CA ASN A 34 -7.857 -3.880 0.695 1.00 0.00 C ATOM 562 C ASN A 34 -7.486 -4.956 1.715 1.00 0.00 C ATOM 563 O ASN A 34 -7.633 -6.137 1.466 1.00 0.00 O ATOM 564 CB ASN A 34 -6.597 -3.244 0.106 1.00 0.00 C ATOM 565 CG ASN A 34 -5.765 -4.318 -0.598 1.00 0.00 C ATOM 566 OD1 ASN A 34 -6.227 -4.949 -1.526 1.00 0.00 O ATOM 567 ND2 ASN A 34 -4.549 -4.554 -0.190 1.00 0.00 N ATOM 0 H ASN A 34 -8.102 -1.858 1.328 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.466 -4.363 -0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.869 -2.459 -0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.011 -2.774 0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.986 -5.269 -0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.161 -4.024 0.590 1.00 0.00 H new ATOM 574 N PHE A 35 -7.002 -4.562 2.860 1.00 0.00 N ATOM 575 CA PHE A 35 -6.622 -5.570 3.889 1.00 0.00 C ATOM 576 C PHE A 35 -7.816 -6.476 4.196 1.00 0.00 C ATOM 577 O PHE A 35 -7.666 -7.656 4.441 1.00 0.00 O ATOM 578 CB PHE A 35 -6.227 -4.758 5.121 1.00 0.00 C ATOM 579 CG PHE A 35 -5.752 -5.693 6.206 1.00 0.00 C ATOM 580 CD1 PHE A 35 -4.651 -6.528 5.978 1.00 0.00 C ATOM 581 CD2 PHE A 35 -6.411 -5.725 7.441 1.00 0.00 C ATOM 582 CE1 PHE A 35 -4.210 -7.395 6.985 1.00 0.00 C ATOM 583 CE2 PHE A 35 -5.969 -6.593 8.447 1.00 0.00 C ATOM 584 CZ PHE A 35 -4.868 -7.427 8.219 1.00 0.00 C ATOM 0 H PHE A 35 -6.853 -3.589 3.127 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.808 -6.215 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.439 -4.049 4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.078 -4.175 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.142 -6.503 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.260 -5.081 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.361 -8.039 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.478 -6.619 9.399 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.527 -8.095 8.996 1.00 0.00 H new ATOM 594 N CYS A 36 -9.003 -5.937 4.182 1.00 0.00 N ATOM 595 CA CYS A 36 -10.200 -6.770 4.466 1.00 0.00 C ATOM 596 C CYS A 36 -10.430 -7.754 3.315 1.00 0.00 C ATOM 597 O CYS A 36 -10.951 -8.836 3.501 1.00 0.00 O ATOM 598 CB CYS A 36 -11.362 -5.782 4.571 1.00 0.00 C ATOM 599 SG CYS A 36 -12.892 -6.684 4.919 1.00 0.00 S ATOM 0 H CYS A 36 -9.194 -4.954 3.986 1.00 0.00 H new ATOM 0 HA CYS A 36 -10.091 -7.358 5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.167 -5.057 5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.461 -5.221 3.642 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.768 -7.917 4.526 1.00 0.00 H new ATOM 605 N LEU A 37 -10.045 -7.380 2.126 1.00 0.00 N ATOM 606 CA LEU A 37 -10.234 -8.280 0.958 1.00 0.00 C ATOM 607 C LEU A 37 -9.118 -9.327 0.913 1.00 0.00 C ATOM 608 O LEU A 37 -9.355 -10.490 0.652 1.00 0.00 O ATOM 609 CB LEU A 37 -10.178 -7.350 -0.259 1.00 0.00 C ATOM 610 CG LEU A 37 -10.444 -8.141 -1.546 1.00 0.00 C ATOM 611 CD1 LEU A 37 -10.763 -7.158 -2.670 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.199 -8.944 -1.938 1.00 0.00 C ATOM 0 H LEU A 37 -9.605 -6.484 1.914 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.171 -8.835 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.917 -6.556 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.201 -6.870 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.278 -8.823 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.954 -7.708 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.646 -6.576 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.917 -6.487 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.399 -9.502 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.364 -8.263 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.947 -9.639 -1.137 1.00 0.00 H new ATOM 624 N ILE A 38 -7.902 -8.924 1.158 1.00 0.00 N ATOM 625 CA ILE A 38 -6.774 -9.901 1.122 1.00 0.00 C ATOM 626 C ILE A 38 -6.760 -10.749 2.398 1.00 0.00 C ATOM 627 O ILE A 38 -6.116 -11.777 2.465 1.00 0.00 O ATOM 628 CB ILE A 38 -5.513 -9.040 1.037 1.00 0.00 C ATOM 629 CG1 ILE A 38 -4.287 -9.942 0.888 1.00 0.00 C ATOM 630 CG2 ILE A 38 -5.369 -8.199 2.306 1.00 0.00 C ATOM 631 CD1 ILE A 38 -4.427 -10.784 -0.381 1.00 0.00 C ATOM 0 H ILE A 38 -7.640 -7.964 1.381 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.856 -10.595 0.285 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.591 -8.379 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.381 -9.338 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.191 -10.590 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.469 -7.589 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.239 -7.551 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.297 -8.857 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.554 -11.428 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.325 -11.399 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.502 -10.127 -1.247 1.00 0.00 H new ATOM 643 N LEU A 39 -7.461 -10.322 3.410 1.00 0.00 N ATOM 644 CA LEU A 39 -7.493 -11.084 4.680 1.00 0.00 C ATOM 645 C LEU A 39 -8.116 -12.472 4.472 1.00 0.00 C ATOM 646 O LEU A 39 -8.003 -13.340 5.315 1.00 0.00 O ATOM 647 CB LEU A 39 -8.356 -10.224 5.608 1.00 0.00 C ATOM 648 CG LEU A 39 -8.651 -10.992 6.886 1.00 0.00 C ATOM 649 CD1 LEU A 39 -7.340 -11.312 7.608 1.00 0.00 C ATOM 650 CD2 LEU A 39 -9.552 -10.156 7.796 1.00 0.00 C ATOM 0 H LEU A 39 -8.018 -9.468 3.407 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.498 -11.265 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.840 -9.293 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.288 -9.955 5.110 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.161 -11.923 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.554 -11.863 8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.706 -11.918 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.825 -10.384 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.761 -10.711 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.050 -9.221 8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.488 -9.939 7.282 1.00 0.00 H new ATOM 662 N ILE A 40 -8.774 -12.693 3.367 1.00 0.00 N ATOM 663 CA ILE A 40 -9.393 -14.027 3.136 1.00 0.00 C ATOM 664 C ILE A 40 -9.452 -14.365 1.639 1.00 0.00 C ATOM 665 O ILE A 40 -9.328 -15.511 1.253 1.00 0.00 O ATOM 666 CB ILE A 40 -10.812 -13.958 3.723 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.688 -12.962 2.934 1.00 0.00 C ATOM 668 CG2 ILE A 40 -10.742 -13.527 5.191 1.00 0.00 C ATOM 669 CD1 ILE A 40 -11.210 -11.518 3.129 1.00 0.00 C ATOM 0 H ILE A 40 -8.909 -12.012 2.619 1.00 0.00 H new ATOM 0 HA ILE A 40 -8.801 -14.809 3.611 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.262 -14.948 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -11.664 -13.215 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -12.725 -13.050 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.749 -13.479 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.152 -14.250 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.274 -12.545 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -11.849 -10.843 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -11.259 -11.258 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.182 -11.425 2.780 1.00 0.00 H new ATOM 681 N PHE A 41 -9.644 -13.390 0.793 1.00 0.00 N ATOM 682 CA PHE A 41 -9.716 -13.674 -0.670 1.00 0.00 C ATOM 683 C PHE A 41 -8.529 -14.538 -1.108 1.00 0.00 C ATOM 684 O PHE A 41 -8.628 -15.322 -2.030 1.00 0.00 O ATOM 685 CB PHE A 41 -9.658 -12.304 -1.344 1.00 0.00 C ATOM 686 CG PHE A 41 -9.726 -12.475 -2.844 1.00 0.00 C ATOM 687 CD1 PHE A 41 -10.838 -13.095 -3.427 1.00 0.00 C ATOM 688 CD2 PHE A 41 -8.678 -12.015 -3.648 1.00 0.00 C ATOM 689 CE1 PHE A 41 -10.900 -13.255 -4.817 1.00 0.00 C ATOM 690 CE2 PHE A 41 -8.740 -12.174 -5.037 1.00 0.00 C ATOM 691 CZ PHE A 41 -9.852 -12.794 -5.622 1.00 0.00 C ATOM 0 H PHE A 41 -9.754 -12.409 1.051 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.619 -14.223 -0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.485 -11.683 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.737 -11.790 -1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.647 -13.449 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.821 -11.537 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.757 -13.734 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.931 -11.819 -5.658 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.900 -12.916 -6.694 1.00 0.00 H new ATOM 701 N LEU A 42 -7.407 -14.397 -0.458 1.00 0.00 N ATOM 702 CA LEU A 42 -6.218 -15.210 -0.845 1.00 0.00 C ATOM 703 C LEU A 42 -6.535 -16.709 -0.752 1.00 0.00 C ATOM 704 O LEU A 42 -5.848 -17.534 -1.321 1.00 0.00 O ATOM 705 CB LEU A 42 -5.096 -14.792 0.125 1.00 0.00 C ATOM 706 CG LEU A 42 -5.501 -15.021 1.589 1.00 0.00 C ATOM 707 CD1 LEU A 42 -5.511 -16.517 1.912 1.00 0.00 C ATOM 708 CD2 LEU A 42 -4.499 -14.315 2.505 1.00 0.00 C ATOM 0 H LEU A 42 -7.261 -13.756 0.322 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.918 -15.036 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.192 -15.360 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.856 -13.740 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.502 -14.618 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.800 -16.663 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.225 -17.025 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.516 -16.931 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.782 -14.475 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.502 -14.720 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.499 -13.247 2.289 1.00 0.00 H new ATOM 720 N LEU A 43 -7.572 -17.068 -0.041 1.00 0.00 N ATOM 721 CA LEU A 43 -7.933 -18.506 0.083 1.00 0.00 C ATOM 722 C LEU A 43 -8.963 -18.869 -0.993 1.00 0.00 C ATOM 723 O LEU A 43 -8.886 -19.907 -1.618 1.00 0.00 O ATOM 724 CB LEU A 43 -8.533 -18.640 1.493 1.00 0.00 C ATOM 725 CG LEU A 43 -8.766 -20.116 1.858 1.00 0.00 C ATOM 726 CD1 LEU A 43 -9.866 -20.723 0.984 1.00 0.00 C ATOM 727 CD2 LEU A 43 -7.466 -20.901 1.673 1.00 0.00 C ATOM 0 H LEU A 43 -8.184 -16.424 0.459 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.082 -19.173 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.863 -18.183 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.476 -18.096 1.543 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.083 -20.172 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.014 -21.767 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.795 -20.173 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.573 -20.662 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.632 -21.947 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.144 -20.831 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.694 -20.485 2.321 1.00 0.00 H new ATOM 739 N LEU A 44 -9.931 -18.019 -1.204 1.00 0.00 N ATOM 740 CA LEU A 44 -10.975 -18.309 -2.228 1.00 0.00 C ATOM 741 C LEU A 44 -10.348 -18.425 -3.622 1.00 0.00 C ATOM 742 O LEU A 44 -10.763 -19.228 -4.433 1.00 0.00 O ATOM 743 CB LEU A 44 -11.925 -17.111 -2.169 1.00 0.00 C ATOM 744 CG LEU A 44 -12.553 -17.017 -0.776 1.00 0.00 C ATOM 745 CD1 LEU A 44 -13.473 -15.795 -0.714 1.00 0.00 C ATOM 746 CD2 LEU A 44 -13.368 -18.282 -0.496 1.00 0.00 C ATOM 0 H LEU A 44 -10.044 -17.134 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.486 -19.252 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.383 -16.193 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.705 -17.216 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.766 -16.919 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.921 -15.727 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.894 -14.893 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.260 -15.894 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.815 -18.215 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.156 -18.380 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.715 -19.153 -0.541 1.00 0.00 H new ATOM 758 N ILE A 45 -9.358 -17.627 -3.906 1.00 0.00 N ATOM 759 CA ILE A 45 -8.713 -17.685 -5.250 1.00 0.00 C ATOM 760 C ILE A 45 -8.211 -19.101 -5.556 1.00 0.00 C ATOM 761 O ILE A 45 -8.034 -19.473 -6.698 1.00 0.00 O ATOM 762 CB ILE A 45 -7.538 -16.713 -5.163 1.00 0.00 C ATOM 763 CG1 ILE A 45 -6.572 -17.187 -4.077 1.00 0.00 C ATOM 764 CG2 ILE A 45 -8.057 -15.315 -4.812 1.00 0.00 C ATOM 765 CD1 ILE A 45 -5.396 -16.215 -3.980 1.00 0.00 C ATOM 0 H ILE A 45 -8.966 -16.936 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.410 -17.424 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.021 -16.676 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.087 -17.248 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.211 -18.189 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.219 -14.621 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.749 -14.980 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.572 -15.349 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.707 -16.553 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.876 -16.177 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.765 -15.221 -3.728 1.00 0.00 H new ATOM 777 N CYS A 46 -7.966 -19.891 -4.549 1.00 0.00 N ATOM 778 CA CYS A 46 -7.461 -21.270 -4.795 1.00 0.00 C ATOM 779 C CYS A 46 -8.570 -22.179 -5.338 1.00 0.00 C ATOM 780 O CYS A 46 -8.444 -22.763 -6.396 1.00 0.00 O ATOM 781 CB CYS A 46 -6.986 -21.764 -3.436 1.00 0.00 C ATOM 782 SG CYS A 46 -6.345 -23.450 -3.598 1.00 0.00 S ATOM 0 H CYS A 46 -8.093 -19.642 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.666 -21.279 -5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.210 -21.104 -3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.809 -21.743 -2.721 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.937 -23.872 -2.438 1.00 0.00 H new ATOM 788 N ILE A 47 -9.643 -22.324 -4.612 1.00 0.00 N ATOM 789 CA ILE A 47 -10.744 -23.218 -5.073 1.00 0.00 C ATOM 790 C ILE A 47 -11.349 -22.735 -6.400 1.00 0.00 C ATOM 791 O ILE A 47 -11.964 -23.500 -7.116 1.00 0.00 O ATOM 792 CB ILE A 47 -11.791 -23.165 -3.960 1.00 0.00 C ATOM 793 CG1 ILE A 47 -12.298 -21.728 -3.800 1.00 0.00 C ATOM 794 CG2 ILE A 47 -11.162 -23.627 -2.645 1.00 0.00 C ATOM 795 CD1 ILE A 47 -13.355 -21.682 -2.696 1.00 0.00 C ATOM 0 H ILE A 47 -9.806 -21.862 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.381 -24.229 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.624 -23.819 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.470 -21.064 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.722 -21.374 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.908 -23.589 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.800 -24.649 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.329 -22.972 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.717 -20.660 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.187 -22.334 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.916 -22.019 -1.757 1.00 0.00 H new ATOM 807 N ILE A 48 -11.199 -21.481 -6.736 1.00 0.00 N ATOM 808 CA ILE A 48 -11.790 -20.989 -8.012 1.00 0.00 C ATOM 809 C ILE A 48 -10.761 -21.030 -9.149 1.00 0.00 C ATOM 810 O ILE A 48 -11.090 -21.326 -10.279 1.00 0.00 O ATOM 811 CB ILE A 48 -12.240 -19.551 -7.741 1.00 0.00 C ATOM 812 CG1 ILE A 48 -11.025 -18.662 -7.462 1.00 0.00 C ATOM 813 CG2 ILE A 48 -13.168 -19.528 -6.525 1.00 0.00 C ATOM 814 CD1 ILE A 48 -11.497 -17.227 -7.220 1.00 0.00 C ATOM 0 H ILE A 48 -10.697 -20.783 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.624 -21.617 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.767 -19.174 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -10.482 -19.031 -6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.335 -18.693 -8.305 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.489 -18.504 -6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.041 -20.151 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.637 -19.912 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.636 -16.589 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.022 -16.863 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.171 -17.205 -6.363 1.00 0.00 H new ATOM 826 N VAL A 49 -9.521 -20.735 -8.865 1.00 0.00 N ATOM 827 CA VAL A 49 -8.490 -20.761 -9.947 1.00 0.00 C ATOM 828 C VAL A 49 -7.896 -22.165 -10.095 1.00 0.00 C ATOM 829 O VAL A 49 -7.207 -22.458 -11.051 1.00 0.00 O ATOM 830 CB VAL A 49 -7.415 -19.768 -9.502 1.00 0.00 C ATOM 831 CG1 VAL A 49 -6.287 -19.745 -10.536 1.00 0.00 C ATOM 832 CG2 VAL A 49 -8.026 -18.370 -9.390 1.00 0.00 C ATOM 0 H VAL A 49 -9.177 -20.479 -7.939 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.913 -20.497 -10.916 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.019 -20.071 -8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.519 -19.038 -10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.851 -20.740 -10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.686 -19.440 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.260 -17.662 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.421 -18.067 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.833 -18.383 -8.658 1.00 0.00 H new ATOM 842 N MET A 50 -8.157 -23.040 -9.162 1.00 0.00 N ATOM 843 CA MET A 50 -7.612 -24.410 -9.254 1.00 0.00 C ATOM 844 C MET A 50 -8.482 -25.271 -10.181 1.00 0.00 C ATOM 845 O MET A 50 -8.068 -26.319 -10.635 1.00 0.00 O ATOM 846 CB MET A 50 -7.656 -24.923 -7.823 1.00 0.00 C ATOM 847 CG MET A 50 -7.260 -26.393 -7.800 1.00 0.00 C ATOM 848 SD MET A 50 -5.567 -26.576 -8.417 1.00 0.00 S ATOM 849 CE MET A 50 -5.455 -28.372 -8.236 1.00 0.00 C ATOM 0 H MET A 50 -8.729 -22.856 -8.338 1.00 0.00 H new ATOM 0 HA MET A 50 -6.605 -24.441 -9.671 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.979 -24.343 -7.196 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.657 -24.798 -7.411 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.332 -26.784 -6.785 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.947 -26.975 -8.415 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.473 -28.710 -8.565 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.600 -28.642 -7.190 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.225 -28.848 -8.844 1.00 0.00 H new ATOM 859 N LEU A 51 -9.681 -24.835 -10.467 1.00 0.00 N ATOM 860 CA LEU A 51 -10.568 -25.631 -11.365 1.00 0.00 C ATOM 861 C LEU A 51 -10.433 -25.157 -12.819 1.00 0.00 C ATOM 862 O LEU A 51 -10.957 -25.768 -13.727 1.00 0.00 O ATOM 863 CB LEU A 51 -11.985 -25.375 -10.850 1.00 0.00 C ATOM 864 CG LEU A 51 -12.096 -25.849 -9.400 1.00 0.00 C ATOM 865 CD1 LEU A 51 -13.516 -25.597 -8.889 1.00 0.00 C ATOM 866 CD2 LEU A 51 -11.786 -27.344 -9.330 1.00 0.00 C ATOM 0 H LEU A 51 -10.083 -23.965 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.312 -26.690 -11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.220 -24.313 -10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.710 -25.901 -11.472 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.385 -25.301 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.596 -25.935 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.737 -24.531 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.227 -26.146 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.865 -27.684 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.497 -27.892 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.775 -27.523 -9.695 1.00 0.00 H new ATOM 878 N LEU A 52 -9.737 -24.074 -13.047 1.00 0.00 N ATOM 879 CA LEU A 52 -9.580 -23.572 -14.443 1.00 0.00 C ATOM 880 C LEU A 52 -8.271 -24.093 -15.049 1.00 0.00 C ATOM 881 O LEU A 52 -8.292 -25.174 -15.612 1.00 0.00 O ATOM 882 CB LEU A 52 -9.538 -22.049 -14.310 1.00 0.00 C ATOM 883 CG LEU A 52 -10.844 -21.557 -13.683 1.00 0.00 C ATOM 884 CD1 LEU A 52 -10.797 -20.035 -13.538 1.00 0.00 C ATOM 885 CD2 LEU A 52 -12.018 -21.950 -14.581 1.00 0.00 C ATOM 886 OXT LEU A 52 -7.274 -23.399 -14.940 1.00 0.00 O ATOM 0 H LEU A 52 -9.272 -23.518 -12.329 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.387 -23.905 -15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.690 -21.750 -13.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.397 -21.591 -15.289 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.971 -22.011 -12.700 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.727 -19.683 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.959 -19.756 -12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.671 -19.580 -14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.950 -21.600 -14.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.892 -21.496 -15.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.050 -23.035 -14.684 1.00 0.00 H new TER 898 LEU A 52