USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 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 Set 1.1: A 46 CYS SG : rot 180:sc= -0.718 USER MOD Set 1.2: A 50 MET CE :methyl -173:sc= -0.0582 (180deg=0) USER MOD Set 2.1: A 20 MET CE :methyl 149:sc= -0.384 (180deg=-2.02!) USER MOD Set 2.2: A 23 GLN :FLIP amide:sc=-0.00697 F(o=-1,f=-0.39) USER MOD Set 3.1: A 16 SER OG : rot -96:sc= 0.32 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 MET CE :methyl 138:sc= -1.27 (180deg=-1.99!) USER MOD Set 4.2: A 5 GLN : amide:sc= -2.51 K(o=-3.8,f=-5.4!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 142:sc= -3.24! (180deg=-5.55!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 108:sc= 0.935 USER MOD Single : A 10 SER OG : rot 180:sc= -0.58 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.1!) USER MOD Single : A 27 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.5!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.772 K(o=-0.77,f=-3!) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.993 21.034 19.589 1.00 0.00 N ATOM 2 CA MET A 1 17.079 20.909 18.418 1.00 0.00 C ATOM 3 C MET A 1 15.733 21.556 18.732 1.00 0.00 C ATOM 4 O MET A 1 15.096 21.250 19.720 1.00 0.00 O ATOM 5 CB MET A 1 16.904 19.418 18.207 1.00 0.00 C ATOM 6 CG MET A 1 16.099 19.166 16.942 1.00 0.00 C ATOM 7 SD MET A 1 15.904 17.385 16.694 1.00 0.00 S ATOM 8 CE MET A 1 15.051 17.035 18.251 1.00 0.00 C ATOM 0 H1 MET A 1 18.907 20.590 19.365 1.00 0.00 H new ATOM 0 H2 MET A 1 18.141 22.040 19.808 1.00 0.00 H new ATOM 0 H3 MET A 1 17.570 20.559 20.412 1.00 0.00 H new ATOM 0 HA MET A 1 17.478 21.403 17.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.879 18.936 18.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.397 18.977 19.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.122 19.642 17.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.603 19.610 16.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.236 16.334 18.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.754 16.598 18.961 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.649 17.961 18.662 1.00 0.00 H new ATOM 20 N ASP A 2 15.299 22.446 17.893 1.00 0.00 N ATOM 21 CA ASP A 2 13.992 23.124 18.120 1.00 0.00 C ATOM 22 C ASP A 2 13.593 23.917 16.874 1.00 0.00 C ATOM 23 O ASP A 2 12.447 23.934 16.478 1.00 0.00 O ATOM 24 CB ASP A 2 14.225 24.063 19.305 1.00 0.00 C ATOM 25 CG ASP A 2 15.327 25.066 18.957 1.00 0.00 C ATOM 26 OD1 ASP A 2 16.435 24.631 18.690 1.00 0.00 O ATOM 27 OD2 ASP A 2 15.043 26.253 18.959 1.00 0.00 O ATOM 0 H ASP A 2 15.795 22.738 17.051 1.00 0.00 H new ATOM 0 HA ASP A 2 13.188 22.416 18.321 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.303 24.591 19.550 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.508 23.488 20.187 1.00 0.00 H new ATOM 32 N LYS A 3 14.536 24.575 16.256 1.00 0.00 N ATOM 33 CA LYS A 3 14.232 25.370 15.043 1.00 0.00 C ATOM 34 C LYS A 3 14.299 24.485 13.797 1.00 0.00 C ATOM 35 O LYS A 3 13.530 24.647 12.871 1.00 0.00 O ATOM 36 CB LYS A 3 15.314 26.439 15.039 1.00 0.00 C ATOM 37 CG LYS A 3 15.267 27.227 13.738 1.00 0.00 C ATOM 38 CD LYS A 3 16.327 28.333 13.780 1.00 0.00 C ATOM 39 CE LYS A 3 16.305 29.140 12.474 1.00 0.00 C ATOM 40 NZ LYS A 3 16.826 28.226 11.409 1.00 0.00 N ATOM 0 H LYS A 3 15.513 24.593 16.547 1.00 0.00 H new ATOM 0 HA LYS A 3 13.230 25.800 15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.175 27.111 15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.294 25.976 15.157 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.448 26.565 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.277 27.661 13.597 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.140 28.993 14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.314 27.895 13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.294 29.474 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.924 30.033 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.296 28.382 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.834 28.423 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.711 27.238 11.713 1.00 0.00 H new ATOM 54 N VAL A 4 15.198 23.541 13.770 1.00 0.00 N ATOM 55 CA VAL A 4 15.282 22.647 12.582 1.00 0.00 C ATOM 56 C VAL A 4 13.992 21.831 12.473 1.00 0.00 C ATOM 57 O VAL A 4 13.619 21.378 11.410 1.00 0.00 O ATOM 58 CB VAL A 4 16.483 21.734 12.841 1.00 0.00 C ATOM 59 CG1 VAL A 4 17.739 22.587 13.029 1.00 0.00 C ATOM 60 CG2 VAL A 4 16.234 20.903 14.103 1.00 0.00 C ATOM 0 H VAL A 4 15.872 23.351 14.511 1.00 0.00 H new ATOM 0 HA VAL A 4 15.402 23.198 11.649 1.00 0.00 H new ATOM 0 HB VAL A 4 16.621 21.066 11.991 1.00 0.00 H new ATOM 0 HG11 VAL A 4 18.595 21.938 13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.917 23.176 12.129 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.601 23.256 13.879 1.00 0.00 H new ATOM 0 HG21 VAL A 4 17.090 20.254 14.286 1.00 0.00 H new ATOM 0 HG22 VAL A 4 16.095 21.568 14.955 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.340 20.295 13.968 1.00 0.00 H new ATOM 70 N GLN A 5 13.307 21.646 13.570 1.00 0.00 N ATOM 71 CA GLN A 5 12.041 20.867 13.538 1.00 0.00 C ATOM 72 C GLN A 5 10.934 21.679 12.857 1.00 0.00 C ATOM 73 O GLN A 5 10.306 21.223 11.921 1.00 0.00 O ATOM 74 CB GLN A 5 11.694 20.613 15.005 1.00 0.00 C ATOM 75 CG GLN A 5 12.823 19.818 15.665 1.00 0.00 C ATOM 76 CD GLN A 5 12.476 19.560 17.132 1.00 0.00 C ATOM 77 OE1 GLN A 5 12.285 20.485 17.895 1.00 0.00 O ATOM 78 NE2 GLN A 5 12.388 18.331 17.562 1.00 0.00 N ATOM 0 H GLN A 5 13.573 22.003 14.488 1.00 0.00 H new ATOM 0 HA GLN A 5 12.143 19.938 12.976 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.549 21.560 15.525 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.756 20.063 15.078 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.969 18.872 15.143 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.760 20.370 15.594 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.548 17.554 16.921 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.159 18.148 18.539 1.00 0.00 H new ATOM 87 N TYR A 6 10.686 22.877 13.316 1.00 0.00 N ATOM 88 CA TYR A 6 9.619 23.706 12.687 1.00 0.00 C ATOM 89 C TYR A 6 9.922 23.914 11.204 1.00 0.00 C ATOM 90 O TYR A 6 9.069 23.738 10.356 1.00 0.00 O ATOM 91 CB TYR A 6 9.644 25.044 13.428 1.00 0.00 C ATOM 92 CG TYR A 6 9.321 24.824 14.886 1.00 0.00 C ATOM 93 CD1 TYR A 6 8.120 24.205 15.250 1.00 0.00 C ATOM 94 CD2 TYR A 6 10.219 25.245 15.874 1.00 0.00 C ATOM 95 CE1 TYR A 6 7.817 24.005 16.603 1.00 0.00 C ATOM 96 CE2 TYR A 6 9.915 25.044 17.226 1.00 0.00 C ATOM 97 CZ TYR A 6 8.714 24.424 17.592 1.00 0.00 C ATOM 98 OH TYR A 6 8.416 24.226 18.923 1.00 0.00 O ATOM 0 H TYR A 6 11.175 23.315 14.097 1.00 0.00 H new ATOM 0 HA TYR A 6 8.641 23.228 12.754 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.626 25.507 13.329 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.922 25.730 12.985 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.427 23.881 14.488 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.145 25.724 15.594 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.890 23.527 16.883 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.608 25.368 17.988 1.00 0.00 H new ATOM 0 HH TYR A 6 9.146 24.574 19.477 1.00 0.00 H new ATOM 108 N LEU A 7 11.129 24.287 10.882 1.00 0.00 N ATOM 109 CA LEU A 7 11.478 24.502 9.447 1.00 0.00 C ATOM 110 C LEU A 7 11.195 23.233 8.640 1.00 0.00 C ATOM 111 O LEU A 7 10.671 23.287 7.545 1.00 0.00 O ATOM 112 CB LEU A 7 12.969 24.830 9.443 1.00 0.00 C ATOM 113 CG LEU A 7 13.203 26.132 10.211 1.00 0.00 C ATOM 114 CD1 LEU A 7 14.697 26.452 10.235 1.00 0.00 C ATOM 115 CD2 LEU A 7 12.448 27.272 9.525 1.00 0.00 C ATOM 0 H LEU A 7 11.886 24.452 11.545 1.00 0.00 H new ATOM 0 HA LEU A 7 10.891 25.300 8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.533 24.018 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.328 24.929 8.419 1.00 0.00 H new ATOM 0 HG LEU A 7 12.841 26.019 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.862 27.380 10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.235 25.641 10.726 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.062 26.564 9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.615 28.200 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.809 27.384 8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.382 27.046 9.511 1.00 0.00 H new ATOM 127 N THR A 8 11.531 22.090 9.173 1.00 0.00 N ATOM 128 CA THR A 8 11.275 20.822 8.437 1.00 0.00 C ATOM 129 C THR A 8 9.771 20.617 8.263 1.00 0.00 C ATOM 130 O THR A 8 9.278 20.454 7.165 1.00 0.00 O ATOM 131 CB THR A 8 11.855 19.721 9.318 1.00 0.00 C ATOM 132 OG1 THR A 8 13.246 19.941 9.497 1.00 0.00 O ATOM 133 CG2 THR A 8 11.633 18.361 8.653 1.00 0.00 C ATOM 0 H THR A 8 11.972 21.981 10.086 1.00 0.00 H new ATOM 0 HA THR A 8 11.723 20.826 7.443 1.00 0.00 H new ATOM 0 HB THR A 8 11.358 19.734 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.415 20.239 10.415 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.048 17.575 9.284 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.565 18.192 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.128 18.346 7.682 1.00 0.00 H new ATOM 141 N ARG A 9 9.035 20.628 9.342 1.00 0.00 N ATOM 142 CA ARG A 9 7.561 20.439 9.240 1.00 0.00 C ATOM 143 C ARG A 9 6.981 21.418 8.220 1.00 0.00 C ATOM 144 O ARG A 9 6.049 21.111 7.506 1.00 0.00 O ATOM 145 CB ARG A 9 7.023 20.724 10.633 1.00 0.00 C ATOM 146 CG ARG A 9 5.501 20.573 10.635 1.00 0.00 C ATOM 147 CD ARG A 9 4.962 20.821 12.047 1.00 0.00 C ATOM 148 NE ARG A 9 5.632 19.802 12.907 1.00 0.00 N ATOM 149 CZ ARG A 9 5.449 18.527 12.685 1.00 0.00 C ATOM 150 NH1 ARG A 9 4.244 18.024 12.729 1.00 0.00 N ATOM 151 NH2 ARG A 9 6.468 17.756 12.419 1.00 0.00 N ATOM 0 H ARG A 9 9.391 20.760 10.289 1.00 0.00 H new ATOM 0 HA ARG A 9 7.292 19.437 8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.468 20.037 11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.299 21.732 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.054 21.279 9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.224 19.574 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.191 21.832 12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.878 20.712 12.079 1.00 0.00 H new ATOM 0 HE ARG A 9 6.236 20.102 13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.447 18.626 12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.100 17.029 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.409 18.148 12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.323 16.761 12.246 1.00 0.00 H new ATOM 165 N SER A 10 7.535 22.594 8.135 1.00 0.00 N ATOM 166 CA SER A 10 7.029 23.580 7.149 1.00 0.00 C ATOM 167 C SER A 10 7.512 23.207 5.744 1.00 0.00 C ATOM 168 O SER A 10 6.999 23.686 4.755 1.00 0.00 O ATOM 169 CB SER A 10 7.610 24.917 7.580 1.00 0.00 C ATOM 170 OG SER A 10 7.179 25.929 6.681 1.00 0.00 O ATOM 0 H SER A 10 8.317 22.913 8.707 1.00 0.00 H new ATOM 0 HA SER A 10 5.940 23.610 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.290 25.155 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.699 24.866 7.593 1.00 0.00 H new ATOM 0 HG SER A 10 7.551 26.792 6.958 1.00 0.00 H new ATOM 176 N ALA A 11 8.499 22.353 5.652 1.00 0.00 N ATOM 177 CA ALA A 11 9.010 21.951 4.318 1.00 0.00 C ATOM 178 C ALA A 11 8.359 20.634 3.883 1.00 0.00 C ATOM 179 O ALA A 11 7.995 20.459 2.738 1.00 0.00 O ATOM 180 CB ALA A 11 10.516 21.769 4.508 1.00 0.00 C ATOM 0 H ALA A 11 8.970 21.919 6.446 1.00 0.00 H new ATOM 0 HA ALA A 11 8.785 22.689 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.969 21.470 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.957 22.709 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.698 20.998 5.257 1.00 0.00 H new ATOM 186 N ILE A 12 8.210 19.708 4.791 1.00 0.00 N ATOM 187 CA ILE A 12 7.585 18.404 4.430 1.00 0.00 C ATOM 188 C ILE A 12 6.132 18.616 3.995 1.00 0.00 C ATOM 189 O ILE A 12 5.649 17.977 3.082 1.00 0.00 O ATOM 190 CB ILE A 12 7.650 17.557 5.703 1.00 0.00 C ATOM 191 CG1 ILE A 12 7.062 16.171 5.423 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.843 18.231 6.815 1.00 0.00 C ATOM 193 CD1 ILE A 12 7.860 15.492 4.311 1.00 0.00 C ATOM 0 H ILE A 12 8.494 19.798 5.767 1.00 0.00 H new ATOM 0 HA ILE A 12 8.097 17.920 3.599 1.00 0.00 H new ATOM 0 HB ILE A 12 8.689 17.460 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.090 15.563 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.016 16.261 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.892 17.624 7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.257 19.219 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.804 18.331 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.441 14.506 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.809 16.097 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.900 15.389 4.621 1.00 0.00 H new ATOM 205 N ARG A 13 5.428 19.510 4.639 1.00 0.00 N ATOM 206 CA ARG A 13 4.012 19.758 4.253 1.00 0.00 C ATOM 207 C ARG A 13 3.943 20.334 2.836 1.00 0.00 C ATOM 208 O ARG A 13 2.940 20.228 2.160 1.00 0.00 O ATOM 209 CB ARG A 13 3.489 20.769 5.272 1.00 0.00 C ATOM 210 CG ARG A 13 3.464 20.134 6.666 1.00 0.00 C ATOM 211 CD ARG A 13 2.486 18.965 6.677 1.00 0.00 C ATOM 212 NE ARG A 13 2.482 18.466 8.085 1.00 0.00 N ATOM 213 CZ ARG A 13 2.084 19.245 9.057 1.00 0.00 C ATOM 214 NH1 ARG A 13 1.179 20.156 8.835 1.00 0.00 N ATOM 215 NH2 ARG A 13 2.592 19.107 10.251 1.00 0.00 N ATOM 0 H ARG A 13 5.773 20.077 5.413 1.00 0.00 H new ATOM 0 HA ARG A 13 3.420 18.843 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.123 21.655 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.487 21.096 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.462 19.789 6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.169 20.875 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.490 19.283 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.799 18.184 5.984 1.00 0.00 H new ATOM 0 HE ARG A 13 2.790 17.515 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.780 20.262 7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.869 20.763 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.299 18.392 10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.283 19.714 11.010 1.00 0.00 H new ATOM 229 N ARG A 14 5.003 20.943 2.383 1.00 0.00 N ATOM 230 CA ARG A 14 4.999 21.526 1.013 1.00 0.00 C ATOM 231 C ARG A 14 5.169 20.425 -0.039 1.00 0.00 C ATOM 232 O ARG A 14 4.875 20.617 -1.202 1.00 0.00 O ATOM 233 CB ARG A 14 6.189 22.488 0.986 1.00 0.00 C ATOM 234 CG ARG A 14 5.973 23.599 2.018 1.00 0.00 C ATOM 235 CD ARG A 14 4.725 24.411 1.649 1.00 0.00 C ATOM 236 NE ARG A 14 4.622 25.470 2.696 1.00 0.00 N ATOM 237 CZ ARG A 14 4.445 25.140 3.947 1.00 0.00 C ATOM 238 NH1 ARG A 14 3.549 24.247 4.266 1.00 0.00 N ATOM 239 NH2 ARG A 14 5.161 25.707 4.879 1.00 0.00 N ATOM 0 H ARG A 14 5.872 21.062 2.903 1.00 0.00 H new ATOM 0 HA ARG A 14 4.061 22.033 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.111 21.949 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.300 22.918 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.857 23.168 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.846 24.251 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.820 24.848 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.835 23.782 1.637 1.00 0.00 H new ATOM 0 HE ARG A 14 4.690 26.453 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.986 23.806 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.411 23.989 5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.859 26.408 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.023 25.449 5.856 1.00 0.00 H new ATOM 253 N ALA A 15 5.637 19.272 0.358 1.00 0.00 N ATOM 254 CA ALA A 15 5.820 18.169 -0.621 1.00 0.00 C ATOM 255 C ALA A 15 4.835 17.025 -0.344 1.00 0.00 C ATOM 256 O ALA A 15 4.836 16.018 -1.023 1.00 0.00 O ATOM 257 CB ALA A 15 7.261 17.696 -0.419 1.00 0.00 C ATOM 0 H ALA A 15 5.900 19.049 1.318 1.00 0.00 H new ATOM 0 HA ALA A 15 5.634 18.498 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.476 16.879 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.945 18.522 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.390 17.349 0.606 1.00 0.00 H new ATOM 263 N SER A 16 3.995 17.168 0.649 1.00 0.00 N ATOM 264 CA SER A 16 3.022 16.090 0.960 1.00 0.00 C ATOM 265 C SER A 16 1.590 16.624 0.936 1.00 0.00 C ATOM 266 O SER A 16 0.636 15.881 1.056 1.00 0.00 O ATOM 267 CB SER A 16 3.392 15.630 2.361 1.00 0.00 C ATOM 268 OG SER A 16 3.162 16.691 3.279 1.00 0.00 O ATOM 0 H SER A 16 3.944 17.987 1.255 1.00 0.00 H new ATOM 0 HA SER A 16 3.062 15.281 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.799 14.758 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.439 15.327 2.392 1.00 0.00 H new ATOM 0 HG SER A 16 3.998 17.180 3.430 1.00 0.00 H new ATOM 274 N THR A 17 1.434 17.902 0.780 1.00 0.00 N ATOM 275 CA THR A 17 0.072 18.491 0.746 1.00 0.00 C ATOM 276 C THR A 17 -0.112 19.315 -0.533 1.00 0.00 C ATOM 277 O THR A 17 -1.219 19.644 -0.914 1.00 0.00 O ATOM 278 CB THR A 17 -0.009 19.387 1.982 1.00 0.00 C ATOM 279 OG1 THR A 17 0.187 18.601 3.149 1.00 0.00 O ATOM 280 CG2 THR A 17 -1.384 20.054 2.039 1.00 0.00 C ATOM 0 H THR A 17 2.197 18.571 0.674 1.00 0.00 H new ATOM 0 HA THR A 17 -0.708 17.730 0.749 1.00 0.00 H new ATOM 0 HB THR A 17 0.763 20.154 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.137 19.175 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.442 20.693 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.533 20.657 1.143 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.158 19.288 2.094 1.00 0.00 H new ATOM 288 N ILE A 18 0.958 19.632 -1.211 1.00 0.00 N ATOM 289 CA ILE A 18 0.840 20.405 -2.467 1.00 0.00 C ATOM 290 C ILE A 18 1.132 19.492 -3.666 1.00 0.00 C ATOM 291 O ILE A 18 0.915 19.862 -4.803 1.00 0.00 O ATOM 292 CB ILE A 18 1.876 21.529 -2.374 1.00 0.00 C ATOM 293 CG1 ILE A 18 1.508 22.519 -1.257 1.00 0.00 C ATOM 294 CG2 ILE A 18 1.937 22.282 -3.707 1.00 0.00 C ATOM 295 CD1 ILE A 18 1.687 21.870 0.119 1.00 0.00 C ATOM 0 H ILE A 18 1.910 19.385 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.162 20.811 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 18 2.845 21.085 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.135 23.408 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.475 22.846 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.675 23.082 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.221 21.592 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.959 22.708 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.422 22.586 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.041 20.995 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.726 21.566 0.245 1.00 0.00 H new ATOM 307 N GLU A 19 1.629 18.299 -3.425 1.00 0.00 N ATOM 308 CA GLU A 19 1.930 17.383 -4.555 1.00 0.00 C ATOM 309 C GLU A 19 1.095 16.103 -4.444 1.00 0.00 C ATOM 310 O GLU A 19 0.733 15.500 -5.436 1.00 0.00 O ATOM 311 CB GLU A 19 3.412 17.067 -4.423 1.00 0.00 C ATOM 312 CG GLU A 19 3.842 16.126 -5.552 1.00 0.00 C ATOM 313 CD GLU A 19 5.333 15.798 -5.418 1.00 0.00 C ATOM 314 OE1 GLU A 19 5.949 16.290 -4.486 1.00 0.00 O ATOM 315 OE2 GLU A 19 5.830 15.058 -6.247 1.00 0.00 O ATOM 0 H GLU A 19 1.835 17.929 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 19 1.692 17.830 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.995 17.987 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.610 16.605 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.254 15.209 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.648 16.591 -6.519 1.00 0.00 H new ATOM 322 N MET A 20 0.789 15.682 -3.247 1.00 0.00 N ATOM 323 CA MET A 20 -0.020 14.439 -3.079 1.00 0.00 C ATOM 324 C MET A 20 -1.020 14.604 -1.929 1.00 0.00 C ATOM 325 O MET A 20 -0.914 13.936 -0.919 1.00 0.00 O ATOM 326 CB MET A 20 0.994 13.354 -2.753 1.00 0.00 C ATOM 327 CG MET A 20 1.994 13.222 -3.903 1.00 0.00 C ATOM 328 SD MET A 20 3.198 11.928 -3.511 1.00 0.00 S ATOM 329 CE MET A 20 2.018 10.566 -3.341 1.00 0.00 C ATOM 0 H MET A 20 1.063 16.143 -2.379 1.00 0.00 H new ATOM 0 HA MET A 20 -0.602 14.202 -3.970 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.518 13.598 -1.829 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.485 12.404 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.471 12.979 -4.828 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.504 14.171 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.494 9.632 -3.640 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.695 10.492 -2.303 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.153 10.752 -3.978 1.00 0.00 H new ATOM 339 N PRO A 21 -1.960 15.495 -2.114 1.00 0.00 N ATOM 340 CA PRO A 21 -2.979 15.751 -1.077 1.00 0.00 C ATOM 341 C PRO A 21 -4.165 14.791 -1.223 1.00 0.00 C ATOM 342 O PRO A 21 -4.270 13.807 -0.516 1.00 0.00 O ATOM 343 CB PRO A 21 -3.404 17.189 -1.358 1.00 0.00 C ATOM 344 CG PRO A 21 -3.105 17.432 -2.808 1.00 0.00 C ATOM 345 CD PRO A 21 -2.166 16.347 -3.290 1.00 0.00 C ATOM 0 HA PRO A 21 -2.605 15.604 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.464 17.330 -1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.858 17.888 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.026 17.424 -3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.651 18.414 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.599 15.785 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.225 16.765 -3.647 1.00 0.00 H new ATOM 353 N GLN A 22 -5.066 15.075 -2.122 1.00 0.00 N ATOM 354 CA GLN A 22 -6.253 14.190 -2.301 1.00 0.00 C ATOM 355 C GLN A 22 -5.825 12.751 -2.603 1.00 0.00 C ATOM 356 O GLN A 22 -6.557 11.816 -2.353 1.00 0.00 O ATOM 357 CB GLN A 22 -7.015 14.785 -3.487 1.00 0.00 C ATOM 358 CG GLN A 22 -6.113 14.790 -4.726 1.00 0.00 C ATOM 359 CD GLN A 22 -6.861 15.422 -5.903 1.00 0.00 C ATOM 360 OE1 GLN A 22 -7.894 14.935 -6.313 1.00 0.00 O ATOM 361 NE2 GLN A 22 -6.376 16.495 -6.468 1.00 0.00 N ATOM 0 H GLN A 22 -5.032 15.884 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.864 14.145 -1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.916 14.203 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.336 15.800 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.199 15.348 -4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.815 13.772 -4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.508 16.905 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.866 16.923 -7.254 1.00 0.00 H new ATOM 370 N GLN A 23 -4.654 12.559 -3.138 1.00 0.00 N ATOM 371 CA GLN A 23 -4.206 11.176 -3.445 1.00 0.00 C ATOM 372 C GLN A 23 -3.634 10.512 -2.192 1.00 0.00 C ATOM 373 O GLN A 23 -4.146 9.519 -1.717 1.00 0.00 O ATOM 374 CB GLN A 23 -3.132 11.330 -4.512 1.00 0.00 C ATOM 375 CG GLN A 23 -2.600 9.951 -4.908 1.00 0.00 C ATOM 376 CD GLN A 23 -1.528 10.111 -5.989 1.00 0.00 C ATOM 377 OE1 GLN A 23 -0.316 9.686 -5.755 1.00 0.00 O flip ATOM 378 NE2 GLN A 23 -1.795 10.628 -7.053 1.00 0.00 N flip ATOM 0 H GLN A 23 -3.991 13.297 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.027 10.546 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.543 11.837 -5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.318 11.951 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.181 9.447 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.414 9.327 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.742 10.960 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.072 10.731 -7.766 1.00 0.00 H new ATOM 387 N ALA A 24 -2.577 11.050 -1.645 1.00 0.00 N ATOM 388 CA ALA A 24 -1.985 10.439 -0.420 1.00 0.00 C ATOM 389 C ALA A 24 -3.072 10.208 0.635 1.00 0.00 C ATOM 390 O ALA A 24 -3.085 9.202 1.312 1.00 0.00 O ATOM 391 CB ALA A 24 -0.956 11.452 0.079 1.00 0.00 C ATOM 0 H ALA A 24 -2.100 11.882 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.530 9.470 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.478 11.070 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.202 11.614 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.454 12.395 0.304 1.00 0.00 H new ATOM 397 N ARG A 25 -3.989 11.128 0.772 1.00 0.00 N ATOM 398 CA ARG A 25 -5.074 10.949 1.775 1.00 0.00 C ATOM 399 C ARG A 25 -5.951 9.755 1.394 1.00 0.00 C ATOM 400 O ARG A 25 -6.138 8.833 2.165 1.00 0.00 O ATOM 401 CB ARG A 25 -5.878 12.240 1.722 1.00 0.00 C ATOM 402 CG ARG A 25 -7.042 12.160 2.712 1.00 0.00 C ATOM 403 CD ARG A 25 -7.852 13.457 2.655 1.00 0.00 C ATOM 404 NE ARG A 25 -6.894 14.528 3.049 1.00 0.00 N ATOM 405 CZ ARG A 25 -7.284 15.773 3.080 1.00 0.00 C ATOM 406 NH1 ARG A 25 -8.066 16.236 2.143 1.00 0.00 N ATOM 407 NH2 ARG A 25 -6.893 16.555 4.049 1.00 0.00 N ATOM 0 H ARG A 25 -4.032 11.993 0.233 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.685 10.753 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.239 13.089 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.256 12.404 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.680 11.310 2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.664 11.999 3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.249 13.631 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.704 13.420 3.334 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.933 14.288 3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.372 15.625 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.371 17.209 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.283 16.193 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.198 17.528 4.073 1.00 0.00 H new ATOM 421 N GLN A 26 -6.488 9.765 0.206 1.00 0.00 N ATOM 422 CA GLN A 26 -7.351 8.637 -0.239 1.00 0.00 C ATOM 423 C GLN A 26 -6.533 7.351 -0.337 1.00 0.00 C ATOM 424 O GLN A 26 -6.903 6.321 0.192 1.00 0.00 O ATOM 425 CB GLN A 26 -7.852 9.052 -1.614 1.00 0.00 C ATOM 426 CG GLN A 26 -8.666 10.343 -1.501 1.00 0.00 C ATOM 427 CD GLN A 26 -9.949 10.093 -0.700 1.00 0.00 C ATOM 428 OE1 GLN A 26 -9.901 9.752 0.465 1.00 0.00 O ATOM 429 NE2 GLN A 26 -11.105 10.250 -1.284 1.00 0.00 N ATOM 0 H GLN A 26 -6.365 10.511 -0.479 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.167 8.441 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.009 9.201 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.467 8.260 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.070 11.116 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.916 10.712 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.148 10.536 -2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.966 10.087 -0.762 1.00 0.00 H new ATOM 438 N ASN A 27 -5.425 7.406 -1.015 1.00 0.00 N ATOM 439 CA ASN A 27 -4.576 6.189 -1.161 1.00 0.00 C ATOM 440 C ASN A 27 -4.213 5.600 0.207 1.00 0.00 C ATOM 441 O ASN A 27 -4.110 4.400 0.364 1.00 0.00 O ATOM 442 CB ASN A 27 -3.330 6.662 -1.896 1.00 0.00 C ATOM 443 CG ASN A 27 -3.701 7.080 -3.320 1.00 0.00 C ATOM 444 OD1 ASN A 27 -4.517 7.958 -3.516 1.00 0.00 O ATOM 445 ND2 ASN A 27 -3.132 6.484 -4.334 1.00 0.00 N ATOM 0 H ASN A 27 -5.067 8.242 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.094 5.397 -1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.879 7.501 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.587 5.865 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.373 6.756 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.446 5.746 -4.173 1.00 0.00 H new ATOM 452 N LEU A 28 -4.014 6.424 1.200 1.00 0.00 N ATOM 453 CA LEU A 28 -3.656 5.886 2.545 1.00 0.00 C ATOM 454 C LEU A 28 -4.723 4.888 3.005 1.00 0.00 C ATOM 455 O LEU A 28 -4.429 3.918 3.674 1.00 0.00 O ATOM 456 CB LEU A 28 -3.604 7.110 3.460 1.00 0.00 C ATOM 457 CG LEU A 28 -3.052 6.732 4.844 1.00 0.00 C ATOM 458 CD1 LEU A 28 -2.787 8.008 5.645 1.00 0.00 C ATOM 459 CD2 LEU A 28 -4.068 5.878 5.607 1.00 0.00 C ATOM 0 H LEU A 28 -4.083 7.440 1.140 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.707 5.350 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.976 7.880 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.603 7.534 3.565 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.130 6.165 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.395 7.746 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.060 8.625 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.717 8.564 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.663 5.618 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.993 6.440 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.272 4.967 5.045 1.00 0.00 H new ATOM 471 N GLN A 29 -5.958 5.117 2.651 1.00 0.00 N ATOM 472 CA GLN A 29 -7.037 4.183 3.066 1.00 0.00 C ATOM 473 C GLN A 29 -7.112 3.000 2.101 1.00 0.00 C ATOM 474 O GLN A 29 -7.343 1.875 2.498 1.00 0.00 O ATOM 475 CB GLN A 29 -8.314 5.007 3.012 1.00 0.00 C ATOM 476 CG GLN A 29 -8.199 6.193 3.974 1.00 0.00 C ATOM 477 CD GLN A 29 -9.485 7.020 3.921 1.00 0.00 C ATOM 478 OE1 GLN A 29 -9.854 7.529 2.881 1.00 0.00 O ATOM 479 NE2 GLN A 29 -10.187 7.181 5.010 1.00 0.00 N ATOM 0 H GLN A 29 -6.265 5.913 2.091 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.866 3.767 4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.486 5.364 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.170 4.388 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.025 5.836 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.344 6.813 3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.878 6.754 5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.044 7.733 4.987 1.00 0.00 H new ATOM 488 N ASN A 30 -6.910 3.245 0.835 1.00 0.00 N ATOM 489 CA ASN A 30 -6.964 2.134 -0.156 1.00 0.00 C ATOM 490 C ASN A 30 -6.025 1.003 0.267 1.00 0.00 C ATOM 491 O ASN A 30 -6.293 -0.160 0.037 1.00 0.00 O ATOM 492 CB ASN A 30 -6.498 2.755 -1.466 1.00 0.00 C ATOM 493 CG ASN A 30 -6.495 1.693 -2.566 1.00 0.00 C ATOM 494 OD1 ASN A 30 -7.521 1.117 -2.874 1.00 0.00 O ATOM 495 ND2 ASN A 30 -5.378 1.406 -3.176 1.00 0.00 N ATOM 0 H ASN A 30 -6.710 4.166 0.445 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.961 1.702 -0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.156 3.579 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.498 3.172 -1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.365 0.699 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.517 1.889 -2.918 1.00 0.00 H new ATOM 502 N LEU A 31 -4.927 1.335 0.889 1.00 0.00 N ATOM 503 CA LEU A 31 -3.973 0.284 1.333 1.00 0.00 C ATOM 504 C LEU A 31 -4.673 -0.696 2.278 1.00 0.00 C ATOM 505 O LEU A 31 -4.359 -1.869 2.318 1.00 0.00 O ATOM 506 CB LEU A 31 -2.874 1.046 2.065 1.00 0.00 C ATOM 507 CG LEU A 31 -1.820 0.072 2.602 1.00 0.00 C ATOM 508 CD1 LEU A 31 -1.092 -0.602 1.436 1.00 0.00 C ATOM 509 CD2 LEU A 31 -0.802 0.845 3.445 1.00 0.00 C ATOM 0 H LEU A 31 -4.650 2.292 1.109 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.581 -0.304 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.407 1.762 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.304 1.617 2.888 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.311 -0.687 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.344 -1.293 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.810 -1.150 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.602 0.157 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.050 0.156 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.319 1.602 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.312 1.328 4.279 1.00 0.00 H new ATOM 521 N PHE A 32 -5.621 -0.220 3.039 1.00 0.00 N ATOM 522 CA PHE A 32 -6.342 -1.111 3.983 1.00 0.00 C ATOM 523 C PHE A 32 -7.394 -1.949 3.250 1.00 0.00 C ATOM 524 O PHE A 32 -7.569 -3.120 3.527 1.00 0.00 O ATOM 525 CB PHE A 32 -7.007 -0.168 4.996 1.00 0.00 C ATOM 526 CG PHE A 32 -5.971 0.554 5.850 1.00 0.00 C ATOM 527 CD1 PHE A 32 -4.592 0.328 5.677 1.00 0.00 C ATOM 528 CD2 PHE A 32 -6.406 1.456 6.830 1.00 0.00 C ATOM 529 CE1 PHE A 32 -3.665 1.003 6.479 1.00 0.00 C ATOM 530 CE2 PHE A 32 -5.476 2.128 7.632 1.00 0.00 C ATOM 531 CZ PHE A 32 -4.107 1.902 7.457 1.00 0.00 C ATOM 0 H PHE A 32 -5.926 0.753 3.045 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.669 -1.819 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.618 0.564 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.677 -0.738 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.249 -0.367 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.462 1.633 6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.608 0.830 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.816 2.822 8.387 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.391 2.421 8.076 1.00 0.00 H new ATOM 541 N ILE A 33 -8.097 -1.366 2.319 1.00 0.00 N ATOM 542 CA ILE A 33 -9.134 -2.144 1.581 1.00 0.00 C ATOM 543 C ILE A 33 -8.475 -2.973 0.473 1.00 0.00 C ATOM 544 O ILE A 33 -8.766 -4.139 0.305 1.00 0.00 O ATOM 545 CB ILE A 33 -10.105 -1.110 0.996 1.00 0.00 C ATOM 546 CG1 ILE A 33 -10.928 -0.445 2.112 1.00 0.00 C ATOM 547 CG2 ILE A 33 -11.065 -1.794 0.016 1.00 0.00 C ATOM 548 CD1 ILE A 33 -10.029 0.416 3.005 1.00 0.00 C ATOM 0 H ILE A 33 -8.000 -0.390 2.038 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.660 -2.843 2.232 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.520 -0.349 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.713 0.172 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.421 -1.209 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.752 -1.055 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.495 -2.250 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -11.632 -2.564 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.630 0.878 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.260 -0.210 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.556 1.193 2.404 1.00 0.00 H new ATOM 560 N ASN A 34 -7.588 -2.381 -0.280 1.00 0.00 N ATOM 561 CA ASN A 34 -6.913 -3.143 -1.372 1.00 0.00 C ATOM 562 C ASN A 34 -6.301 -4.428 -0.811 1.00 0.00 C ATOM 563 O ASN A 34 -6.321 -5.464 -1.445 1.00 0.00 O ATOM 564 CB ASN A 34 -5.823 -2.206 -1.895 1.00 0.00 C ATOM 565 CG ASN A 34 -5.073 -2.887 -3.039 1.00 0.00 C ATOM 566 OD1 ASN A 34 -4.489 -3.938 -2.859 1.00 0.00 O ATOM 567 ND2 ASN A 34 -5.063 -2.331 -4.220 1.00 0.00 N ATOM 0 H ASN A 34 -7.302 -1.406 -0.188 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.603 -3.439 -2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.266 -1.272 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.131 -1.952 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.566 -2.778 -4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.552 -1.449 -4.373 1.00 0.00 H new ATOM 574 N PHE A 35 -5.770 -4.371 0.380 1.00 0.00 N ATOM 575 CA PHE A 35 -5.179 -5.591 0.981 1.00 0.00 C ATOM 576 C PHE A 35 -6.276 -6.419 1.650 1.00 0.00 C ATOM 577 O PHE A 35 -6.130 -7.607 1.860 1.00 0.00 O ATOM 578 CB PHE A 35 -4.157 -5.097 2.010 1.00 0.00 C ATOM 579 CG PHE A 35 -2.954 -4.515 1.299 1.00 0.00 C ATOM 580 CD1 PHE A 35 -3.087 -3.388 0.475 1.00 0.00 C ATOM 581 CD2 PHE A 35 -1.701 -5.119 1.457 1.00 0.00 C ATOM 582 CE1 PHE A 35 -1.967 -2.868 -0.185 1.00 0.00 C ATOM 583 CE2 PHE A 35 -0.582 -4.596 0.799 1.00 0.00 C ATOM 584 CZ PHE A 35 -0.715 -3.471 -0.023 1.00 0.00 C ATOM 0 H PHE A 35 -5.722 -3.532 0.959 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.704 -6.229 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.610 -4.343 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.847 -5.921 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.053 -2.921 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.598 -5.990 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.070 -2.000 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.385 -5.061 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.148 -3.069 -0.532 1.00 0.00 H new ATOM 594 N CYS A 36 -7.379 -5.803 1.978 1.00 0.00 N ATOM 595 CA CYS A 36 -8.490 -6.551 2.618 1.00 0.00 C ATOM 596 C CYS A 36 -9.273 -7.325 1.555 1.00 0.00 C ATOM 597 O CYS A 36 -9.715 -8.435 1.778 1.00 0.00 O ATOM 598 CB CYS A 36 -9.372 -5.480 3.262 1.00 0.00 C ATOM 599 SG CYS A 36 -10.762 -6.272 4.105 1.00 0.00 S ATOM 0 H CYS A 36 -7.556 -4.810 1.828 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.137 -7.277 3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.790 -4.892 3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.739 -4.790 2.502 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.511 -5.363 4.655 1.00 0.00 H new ATOM 605 N LEU A 37 -9.443 -6.745 0.396 1.00 0.00 N ATOM 606 CA LEU A 37 -10.190 -7.440 -0.686 1.00 0.00 C ATOM 607 C LEU A 37 -9.349 -8.580 -1.259 1.00 0.00 C ATOM 608 O LEU A 37 -9.798 -9.705 -1.359 1.00 0.00 O ATOM 609 CB LEU A 37 -10.440 -6.379 -1.749 1.00 0.00 C ATOM 610 CG LEU A 37 -11.252 -6.997 -2.886 1.00 0.00 C ATOM 611 CD1 LEU A 37 -12.573 -7.548 -2.341 1.00 0.00 C ATOM 612 CD2 LEU A 37 -11.546 -5.925 -3.924 1.00 0.00 C ATOM 0 H LEU A 37 -9.095 -5.817 0.154 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.120 -7.878 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.977 -5.534 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.493 -5.995 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.684 -7.810 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.148 -7.987 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.367 -8.311 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.146 -6.739 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.125 -6.357 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.115 -5.118 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.608 -5.530 -4.315 1.00 0.00 H new ATOM 624 N ILE A 38 -8.131 -8.299 -1.636 1.00 0.00 N ATOM 625 CA ILE A 38 -7.264 -9.373 -2.202 1.00 0.00 C ATOM 626 C ILE A 38 -7.147 -10.532 -1.206 1.00 0.00 C ATOM 627 O ILE A 38 -7.160 -11.687 -1.583 1.00 0.00 O ATOM 628 CB ILE A 38 -5.901 -8.713 -2.423 1.00 0.00 C ATOM 629 CG1 ILE A 38 -4.932 -9.733 -3.030 1.00 0.00 C ATOM 630 CG2 ILE A 38 -5.347 -8.221 -1.086 1.00 0.00 C ATOM 631 CD1 ILE A 38 -5.489 -10.238 -4.361 1.00 0.00 C ATOM 0 H ILE A 38 -7.700 -7.376 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.667 -9.786 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.015 -7.868 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.955 -9.275 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.789 -10.568 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.376 -7.751 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.035 -7.495 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.234 -9.065 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.799 -10.963 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.456 -10.712 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.609 -9.399 -5.047 1.00 0.00 H new ATOM 643 N LEU A 39 -7.035 -10.233 0.060 1.00 0.00 N ATOM 644 CA LEU A 39 -6.918 -11.310 1.074 1.00 0.00 C ATOM 645 C LEU A 39 -8.148 -12.216 0.999 1.00 0.00 C ATOM 646 O LEU A 39 -8.041 -13.421 0.884 1.00 0.00 O ATOM 647 CB LEU A 39 -6.869 -10.561 2.411 1.00 0.00 C ATOM 648 CG LEU A 39 -6.401 -11.502 3.518 1.00 0.00 C ATOM 649 CD1 LEU A 39 -6.212 -10.708 4.812 1.00 0.00 C ATOM 650 CD2 LEU A 39 -7.435 -12.605 3.756 1.00 0.00 C ATOM 0 H LEU A 39 -7.020 -9.284 0.433 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.046 -11.948 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.193 -9.709 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.855 -10.165 2.652 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.458 -11.957 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.878 -11.378 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.465 -9.930 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.158 -10.250 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.085 -13.267 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.384 -12.157 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.573 -13.178 2.839 1.00 0.00 H new ATOM 662 N ILE A 40 -9.317 -11.641 1.064 1.00 0.00 N ATOM 663 CA ILE A 40 -10.556 -12.464 1.002 1.00 0.00 C ATOM 664 C ILE A 40 -10.648 -13.192 -0.339 1.00 0.00 C ATOM 665 O ILE A 40 -10.967 -14.362 -0.401 1.00 0.00 O ATOM 666 CB ILE A 40 -11.699 -11.471 1.150 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.595 -10.771 2.507 1.00 0.00 C ATOM 668 CG2 ILE A 40 -13.033 -12.212 1.055 1.00 0.00 C ATOM 669 CD1 ILE A 40 -12.738 -9.765 2.654 1.00 0.00 C ATOM 0 H ILE A 40 -9.467 -10.636 1.157 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.578 -13.230 1.777 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.641 -10.728 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -11.638 -11.506 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.635 -10.261 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.852 -11.501 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -13.106 -12.708 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.093 -12.956 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -12.663 -9.267 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -12.674 -9.023 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.693 -10.287 2.588 1.00 0.00 H new ATOM 681 N PHE A 41 -10.363 -12.512 -1.417 1.00 0.00 N ATOM 682 CA PHE A 41 -10.429 -13.171 -2.753 1.00 0.00 C ATOM 683 C PHE A 41 -9.582 -14.443 -2.745 1.00 0.00 C ATOM 684 O PHE A 41 -10.017 -15.498 -3.154 1.00 0.00 O ATOM 685 CB PHE A 41 -9.851 -12.144 -3.727 1.00 0.00 C ATOM 686 CG PHE A 41 -9.796 -12.734 -5.115 1.00 0.00 C ATOM 687 CD1 PHE A 41 -10.973 -13.156 -5.748 1.00 0.00 C ATOM 688 CD2 PHE A 41 -8.566 -12.860 -5.770 1.00 0.00 C ATOM 689 CE1 PHE A 41 -10.917 -13.702 -7.036 1.00 0.00 C ATOM 690 CE2 PHE A 41 -8.511 -13.407 -7.058 1.00 0.00 C ATOM 691 CZ PHE A 41 -9.686 -13.828 -7.690 1.00 0.00 C ATOM 0 H PHE A 41 -10.088 -11.530 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.443 -13.463 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.465 -11.244 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.852 -11.848 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.923 -13.060 -5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.659 -12.535 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.824 -14.026 -7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.561 -13.504 -7.563 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.643 -14.250 -8.683 1.00 0.00 H new ATOM 701 N LEU A 42 -8.375 -14.347 -2.277 1.00 0.00 N ATOM 702 CA LEU A 42 -7.493 -15.538 -2.239 1.00 0.00 C ATOM 703 C LEU A 42 -8.189 -16.679 -1.487 1.00 0.00 C ATOM 704 O LEU A 42 -8.123 -17.824 -1.882 1.00 0.00 O ATOM 705 CB LEU A 42 -6.252 -15.055 -1.483 1.00 0.00 C ATOM 706 CG LEU A 42 -5.102 -16.035 -1.688 1.00 0.00 C ATOM 707 CD1 LEU A 42 -3.828 -15.462 -1.060 1.00 0.00 C ATOM 708 CD2 LEU A 42 -5.426 -17.379 -1.033 1.00 0.00 C ATOM 0 H LEU A 42 -7.959 -13.488 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.247 -15.925 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.964 -14.065 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.477 -14.962 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.954 -16.187 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.004 -16.161 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.585 -14.511 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.987 -15.305 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.596 -18.069 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.583 -17.234 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.330 -17.793 -1.480 1.00 0.00 H new ATOM 720 N LEU A 43 -8.846 -16.374 -0.403 1.00 0.00 N ATOM 721 CA LEU A 43 -9.531 -17.442 0.384 1.00 0.00 C ATOM 722 C LEU A 43 -10.572 -18.185 -0.464 1.00 0.00 C ATOM 723 O LEU A 43 -10.580 -19.399 -0.522 1.00 0.00 O ATOM 724 CB LEU A 43 -10.215 -16.705 1.538 1.00 0.00 C ATOM 725 CG LEU A 43 -10.938 -17.715 2.430 1.00 0.00 C ATOM 726 CD1 LEU A 43 -9.931 -18.728 2.979 1.00 0.00 C ATOM 727 CD2 LEU A 43 -11.606 -16.982 3.595 1.00 0.00 C ATOM 0 H LEU A 43 -8.939 -15.431 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.825 -18.197 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.477 -16.153 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.924 -15.975 1.148 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.695 -18.236 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.448 -19.447 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.454 -19.253 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.172 -18.207 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.121 -17.702 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.848 -16.460 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.325 -16.261 3.207 1.00 0.00 H new ATOM 739 N LEU A 44 -11.457 -17.475 -1.110 1.00 0.00 N ATOM 740 CA LEU A 44 -12.501 -18.157 -1.935 1.00 0.00 C ATOM 741 C LEU A 44 -11.876 -18.896 -3.125 1.00 0.00 C ATOM 742 O LEU A 44 -12.174 -20.047 -3.374 1.00 0.00 O ATOM 743 CB LEU A 44 -13.439 -17.046 -2.424 1.00 0.00 C ATOM 744 CG LEU A 44 -14.399 -16.624 -1.301 1.00 0.00 C ATOM 745 CD1 LEU A 44 -15.223 -17.833 -0.857 1.00 0.00 C ATOM 746 CD2 LEU A 44 -13.616 -16.078 -0.108 1.00 0.00 C ATOM 0 H LEU A 44 -11.504 -16.456 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.033 -18.908 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.855 -16.187 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.008 -17.395 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.059 -15.842 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.905 -17.536 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.797 -18.213 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.556 -18.614 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.310 -15.783 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.945 -16.849 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.034 -15.211 -0.421 1.00 0.00 H new ATOM 758 N ILE A 45 -11.026 -18.246 -3.871 1.00 0.00 N ATOM 759 CA ILE A 45 -10.407 -18.916 -5.050 1.00 0.00 C ATOM 760 C ILE A 45 -9.368 -19.969 -4.613 1.00 0.00 C ATOM 761 O ILE A 45 -8.791 -20.650 -5.437 1.00 0.00 O ATOM 762 CB ILE A 45 -9.766 -17.785 -5.870 1.00 0.00 C ATOM 763 CG1 ILE A 45 -10.849 -16.993 -6.625 1.00 0.00 C ATOM 764 CG2 ILE A 45 -8.775 -18.355 -6.892 1.00 0.00 C ATOM 765 CD1 ILE A 45 -11.809 -16.313 -5.646 1.00 0.00 C ATOM 0 H ILE A 45 -10.733 -17.281 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.143 -19.464 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.240 -17.127 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.380 -16.243 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.405 -17.663 -7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.332 -17.539 -7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.989 -18.902 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.299 -19.029 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.565 -15.760 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.294 -17.069 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.252 -15.626 -5.009 1.00 0.00 H new ATOM 777 N CYS A 46 -9.129 -20.120 -3.337 1.00 0.00 N ATOM 778 CA CYS A 46 -8.137 -21.138 -2.887 1.00 0.00 C ATOM 779 C CYS A 46 -8.833 -22.461 -2.554 1.00 0.00 C ATOM 780 O CYS A 46 -8.252 -23.523 -2.662 1.00 0.00 O ATOM 781 CB CYS A 46 -7.487 -20.548 -1.639 1.00 0.00 C ATOM 782 SG CYS A 46 -6.299 -21.728 -0.950 1.00 0.00 S ATOM 0 H CYS A 46 -9.575 -19.586 -2.591 1.00 0.00 H new ATOM 0 HA CYS A 46 -7.403 -21.356 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.983 -19.614 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.250 -20.311 -0.898 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.747 -21.219 0.111 1.00 0.00 H new ATOM 788 N ILE A 47 -10.066 -22.407 -2.141 1.00 0.00 N ATOM 789 CA ILE A 47 -10.791 -23.656 -1.794 1.00 0.00 C ATOM 790 C ILE A 47 -11.026 -24.516 -3.042 1.00 0.00 C ATOM 791 O ILE A 47 -11.376 -25.675 -2.947 1.00 0.00 O ATOM 792 CB ILE A 47 -12.118 -23.178 -1.213 1.00 0.00 C ATOM 793 CG1 ILE A 47 -11.852 -22.332 0.034 1.00 0.00 C ATOM 794 CG2 ILE A 47 -12.971 -24.386 -0.838 1.00 0.00 C ATOM 795 CD1 ILE A 47 -13.182 -21.868 0.632 1.00 0.00 C ATOM 0 H ILE A 47 -10.604 -21.548 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.231 -24.278 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.646 -22.577 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.295 -22.914 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.237 -21.470 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.920 -24.047 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.159 -24.989 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.445 -24.987 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.991 -21.266 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.722 -21.271 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.781 -22.737 0.905 1.00 0.00 H new ATOM 807 N ILE A 48 -10.843 -23.960 -4.210 1.00 0.00 N ATOM 808 CA ILE A 48 -11.067 -24.754 -5.447 1.00 0.00 C ATOM 809 C ILE A 48 -9.737 -25.274 -6.005 1.00 0.00 C ATOM 810 O ILE A 48 -9.660 -26.369 -6.525 1.00 0.00 O ATOM 811 CB ILE A 48 -11.735 -23.792 -6.437 1.00 0.00 C ATOM 812 CG1 ILE A 48 -12.109 -24.560 -7.708 1.00 0.00 C ATOM 813 CG2 ILE A 48 -10.773 -22.659 -6.804 1.00 0.00 C ATOM 814 CD1 ILE A 48 -13.075 -25.693 -7.356 1.00 0.00 C ATOM 0 H ILE A 48 -10.549 -22.994 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 48 -11.688 -25.630 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.627 -23.369 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.570 -23.886 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.213 -24.965 -8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -11.259 -21.983 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.498 -22.110 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.877 -23.077 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -13.341 -26.239 -8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.597 -26.372 -6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.976 -25.276 -6.906 1.00 0.00 H new ATOM 826 N VAL A 49 -8.691 -24.498 -5.907 1.00 0.00 N ATOM 827 CA VAL A 49 -7.374 -24.955 -6.442 1.00 0.00 C ATOM 828 C VAL A 49 -6.745 -25.993 -5.506 1.00 0.00 C ATOM 829 O VAL A 49 -6.021 -26.869 -5.936 1.00 0.00 O ATOM 830 CB VAL A 49 -6.505 -23.694 -6.511 1.00 0.00 C ATOM 831 CG1 VAL A 49 -6.263 -23.149 -5.099 1.00 0.00 C ATOM 832 CG2 VAL A 49 -5.158 -24.040 -7.150 1.00 0.00 C ATOM 0 H VAL A 49 -8.690 -23.571 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.475 -25.431 -7.417 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.018 -22.940 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.645 -22.253 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.218 -22.902 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.754 -23.904 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.538 -23.145 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.654 -24.797 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.321 -24.425 -8.157 1.00 0.00 H new ATOM 842 N MET A 50 -7.009 -25.899 -4.233 1.00 0.00 N ATOM 843 CA MET A 50 -6.419 -26.877 -3.277 1.00 0.00 C ATOM 844 C MET A 50 -7.120 -28.238 -3.375 1.00 0.00 C ATOM 845 O MET A 50 -6.750 -29.180 -2.704 1.00 0.00 O ATOM 846 CB MET A 50 -6.631 -26.262 -1.901 1.00 0.00 C ATOM 847 CG MET A 50 -5.861 -24.943 -1.802 1.00 0.00 C ATOM 848 SD MET A 50 -4.089 -25.260 -2.007 1.00 0.00 S ATOM 849 CE MET A 50 -3.531 -23.547 -1.853 1.00 0.00 C ATOM 0 H MET A 50 -7.607 -25.188 -3.813 1.00 0.00 H new ATOM 0 HA MET A 50 -5.366 -27.061 -3.488 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.693 -26.088 -1.729 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.292 -26.951 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.208 -24.249 -2.568 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.048 -24.472 -0.837 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.465 -23.490 -2.073 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.081 -22.921 -2.556 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.711 -23.196 -0.837 1.00 0.00 H new ATOM 859 N LEU A 51 -8.124 -28.355 -4.202 1.00 0.00 N ATOM 860 CA LEU A 51 -8.829 -29.663 -4.327 1.00 0.00 C ATOM 861 C LEU A 51 -8.474 -30.344 -5.653 1.00 0.00 C ATOM 862 O LEU A 51 -9.101 -31.304 -6.053 1.00 0.00 O ATOM 863 CB LEU A 51 -10.318 -29.316 -4.284 1.00 0.00 C ATOM 864 CG LEU A 51 -10.640 -28.613 -2.964 1.00 0.00 C ATOM 865 CD1 LEU A 51 -12.132 -28.278 -2.915 1.00 0.00 C ATOM 866 CD2 LEU A 51 -10.287 -29.534 -1.796 1.00 0.00 C ATOM 0 H LEU A 51 -8.485 -27.606 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.546 -30.356 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.576 -28.671 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.916 -30.222 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.058 -27.694 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.362 -27.777 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.385 -27.621 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.714 -29.197 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.516 -29.033 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.868 -30.453 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.224 -29.773 -1.830 1.00 0.00 H new ATOM 878 N LEU A 52 -7.470 -29.861 -6.339 1.00 0.00 N ATOM 879 CA LEU A 52 -7.084 -30.490 -7.635 1.00 0.00 C ATOM 880 C LEU A 52 -5.785 -31.283 -7.470 1.00 0.00 C ATOM 881 O LEU A 52 -5.718 -32.088 -6.557 1.00 0.00 O ATOM 882 CB LEU A 52 -6.880 -29.320 -8.598 1.00 0.00 C ATOM 883 CG LEU A 52 -8.184 -28.528 -8.721 1.00 0.00 C ATOM 884 CD1 LEU A 52 -7.988 -27.365 -9.694 1.00 0.00 C ATOM 885 CD2 LEU A 52 -9.289 -29.449 -9.245 1.00 0.00 C ATOM 886 OXT LEU A 52 -4.881 -31.072 -8.263 1.00 0.00 O ATOM 0 H LEU A 52 -6.903 -29.061 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.839 -31.188 -7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.081 -28.672 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.573 -29.689 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.465 -28.138 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.917 -26.802 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.200 -26.709 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.707 -27.753 -10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.219 -28.888 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.005 -29.838 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.430 -30.278 -8.552 1.00 0.00 H new