USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 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 96 GLN : amide:sc= -0.574 X(o=-1.7,f=-2.2) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.13 X(o=-1.7,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.97 X(o=-0.97,f=-1.1) USER MOD Single : A 4 MET CE :methyl -162:sc= -0.11 (180deg=-0.546) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 9 CYS SG : rot 33:sc= 0.152 USER MOD Single : A 13 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc=-0.00207 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0877 USER MOD Single : A 28 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.66) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -12.5! C(o=-17!,f=-12!) USER MOD Single : A 44 GLN : amide:sc= -0.911 K(o=-0.91,f=-4.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 36:sc= 0.884 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0677 K(o=-0.068,f=-1) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= -0.122 (180deg=-0.626) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.7!) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0019) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 86 SER OG : rot 48:sc= 0.0022 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00176 USER MOD Single : A 90 ASN : amide:sc= -0.0638 X(o=-0.064,f=-0.49) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= -1.63 (180deg=-1.64) USER MOD Single : A 102 THR OG1 : rot -83:sc= -0.0485 USER MOD Single : A 107 THR OG1 : rot 25:sc= 0.847 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.86) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 81:sc= 0.0735 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.945 8.558 24.058 1.00 0.00 N ATOM 2 CA GLY A 1 9.182 9.039 23.385 1.00 0.00 C ATOM 3 C GLY A 1 9.730 8.033 22.391 1.00 0.00 C ATOM 4 O GLY A 1 8.970 7.301 21.758 1.00 0.00 O ATOM 0 H1 GLY A 1 7.234 9.317 24.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.570 7.734 23.547 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.166 8.287 25.038 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.971 9.976 22.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.941 9.253 24.137 1.00 0.00 H new ATOM 10 N SER A 2 11.052 7.998 22.256 1.00 0.00 N ATOM 11 CA SER A 2 11.701 7.074 21.334 1.00 0.00 C ATOM 12 C SER A 2 12.460 5.992 22.095 1.00 0.00 C ATOM 13 O SER A 2 13.519 6.249 22.669 1.00 0.00 O ATOM 14 CB SER A 2 12.656 7.830 20.409 1.00 0.00 C ATOM 15 OG SER A 2 11.961 8.403 19.314 1.00 0.00 O ATOM 0 H SER A 2 11.694 8.599 22.773 1.00 0.00 H new ATOM 0 HA SER A 2 10.928 6.596 20.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.166 8.613 20.970 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.424 7.150 20.040 1.00 0.00 H new ATOM 0 HG SER A 2 12.594 8.882 18.739 1.00 0.00 H new ATOM 21 N HIS A 3 11.911 4.781 22.096 1.00 0.00 N ATOM 22 CA HIS A 3 12.537 3.659 22.788 1.00 0.00 C ATOM 23 C HIS A 3 13.118 2.659 21.794 1.00 0.00 C ATOM 24 O HIS A 3 12.722 2.626 20.628 1.00 0.00 O ATOM 25 CB HIS A 3 11.523 2.962 23.699 1.00 0.00 C ATOM 26 CG HIS A 3 10.194 2.726 23.051 1.00 0.00 C ATOM 27 ND1 HIS A 3 9.794 1.492 22.580 1.00 0.00 N ATOM 28 CD2 HIS A 3 9.167 3.573 22.800 1.00 0.00 C ATOM 29 CE1 HIS A 3 8.581 1.592 22.066 1.00 0.00 C ATOM 30 NE2 HIS A 3 8.179 2.843 22.187 1.00 0.00 N ATOM 0 H HIS A 3 11.035 4.552 21.626 1.00 0.00 H new ATOM 0 HA HIS A 3 13.352 4.051 23.397 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.935 2.006 24.022 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.378 3.565 24.595 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.132 4.626 23.038 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.015 0.787 21.622 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.279 3.209 21.875 1.00 0.00 H new ATOM 39 N MET A 4 14.061 1.845 22.267 1.00 0.00 N ATOM 40 CA MET A 4 14.711 0.834 21.431 1.00 0.00 C ATOM 41 C MET A 4 15.052 1.385 20.048 1.00 0.00 C ATOM 42 O MET A 4 14.267 1.263 19.108 1.00 0.00 O ATOM 43 CB MET A 4 13.827 -0.412 21.300 1.00 0.00 C ATOM 44 CG MET A 4 12.402 -0.120 20.855 1.00 0.00 C ATOM 45 SD MET A 4 11.375 -1.601 20.801 1.00 0.00 S ATOM 46 CE MET A 4 12.225 -2.560 19.550 1.00 0.00 C ATOM 0 H MET A 4 14.394 1.866 23.231 1.00 0.00 H new ATOM 0 HA MET A 4 15.643 0.555 21.922 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.286 -1.096 20.586 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.798 -0.926 22.261 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.954 0.604 21.536 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.421 0.341 19.867 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.560 -3.338 19.174 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.521 -1.907 18.729 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.112 -3.020 19.985 1.00 0.00 H new ATOM 56 N ASP A 5 16.229 1.992 19.934 1.00 0.00 N ATOM 57 CA ASP A 5 16.677 2.561 18.669 1.00 0.00 C ATOM 58 C ASP A 5 17.074 1.462 17.688 1.00 0.00 C ATOM 59 O ASP A 5 18.085 0.784 17.878 1.00 0.00 O ATOM 60 CB ASP A 5 17.857 3.508 18.901 1.00 0.00 C ATOM 61 CG ASP A 5 17.712 4.810 18.138 1.00 0.00 C ATOM 62 OD1 ASP A 5 18.140 4.862 16.966 1.00 0.00 O ATOM 63 OD2 ASP A 5 17.168 5.777 18.713 1.00 0.00 O ATOM 0 H ASP A 5 16.890 2.102 20.703 1.00 0.00 H new ATOM 0 HA ASP A 5 15.849 3.124 18.238 1.00 0.00 H new ATOM 0 HB2 ASP A 5 17.944 3.722 19.966 1.00 0.00 H new ATOM 0 HB3 ASP A 5 18.781 3.014 18.599 1.00 0.00 H new ATOM 68 N LYS A 6 16.274 1.289 16.642 1.00 0.00 N ATOM 69 CA LYS A 6 16.545 0.270 15.635 1.00 0.00 C ATOM 70 C LYS A 6 15.987 0.683 14.275 1.00 0.00 C ATOM 71 O LYS A 6 14.794 0.536 14.011 1.00 0.00 O ATOM 72 CB LYS A 6 15.945 -1.072 16.066 1.00 0.00 C ATOM 73 CG LYS A 6 16.959 -2.204 16.113 1.00 0.00 C ATOM 74 CD LYS A 6 16.289 -3.545 16.377 1.00 0.00 C ATOM 75 CE LYS A 6 16.704 -4.123 17.721 1.00 0.00 C ATOM 76 NZ LYS A 6 16.713 -5.613 17.707 1.00 0.00 N ATOM 0 H LYS A 6 15.433 1.840 16.469 1.00 0.00 H new ATOM 0 HA LYS A 6 17.626 0.163 15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.493 -0.959 17.051 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.144 -1.341 15.377 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.501 -2.247 15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.693 -2.003 16.893 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.206 -3.423 16.352 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.549 -4.245 15.583 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.697 -3.757 17.983 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.020 -3.771 18.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.001 -5.967 18.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.760 -5.964 17.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.384 -5.949 16.987 1.00 0.00 H new ATOM 90 N THR A 7 16.861 1.199 13.416 1.00 0.00 N ATOM 91 CA THR A 7 16.461 1.633 12.083 1.00 0.00 C ATOM 92 C THR A 7 16.465 0.458 11.113 1.00 0.00 C ATOM 93 O THR A 7 17.389 -0.355 11.113 1.00 0.00 O ATOM 94 CB THR A 7 17.391 2.737 11.581 1.00 0.00 C ATOM 95 OG1 THR A 7 18.415 3.005 12.523 1.00 0.00 O ATOM 96 CG2 THR A 7 16.664 4.030 11.310 1.00 0.00 C ATOM 0 H THR A 7 17.852 1.327 13.620 1.00 0.00 H new ATOM 0 HA THR A 7 15.447 2.030 12.141 1.00 0.00 H new ATOM 0 HB THR A 7 17.813 2.365 10.648 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.998 3.713 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.373 4.779 10.956 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.900 3.866 10.550 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.193 4.382 12.228 1.00 0.00 H new ATOM 104 N PHE A 8 15.424 0.368 10.294 1.00 0.00 N ATOM 105 CA PHE A 8 15.315 -0.722 9.329 1.00 0.00 C ATOM 106 C PHE A 8 14.656 -0.288 8.024 1.00 0.00 C ATOM 107 O PHE A 8 13.744 0.537 8.011 1.00 0.00 O ATOM 108 CB PHE A 8 14.523 -1.891 9.922 1.00 0.00 C ATOM 109 CG PHE A 8 13.334 -1.486 10.757 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.697 -0.263 10.568 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.852 -2.338 11.736 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.610 0.093 11.341 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.763 -1.986 12.511 1.00 0.00 C ATOM 114 CZ PHE A 8 11.143 -0.769 12.315 1.00 0.00 C ATOM 0 H PHE A 8 14.648 1.030 10.277 1.00 0.00 H new ATOM 0 HA PHE A 8 16.335 -1.034 9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.178 -2.529 9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.193 -2.492 10.536 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.057 0.415 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.334 -3.291 11.896 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.125 1.045 11.185 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.398 -2.663 13.269 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.294 -0.491 12.922 1.00 0.00 H new ATOM 124 N CYS A 9 15.099 -0.890 6.932 1.00 0.00 N ATOM 125 CA CYS A 9 14.530 -0.613 5.624 1.00 0.00 C ATOM 126 C CYS A 9 13.493 -1.688 5.307 1.00 0.00 C ATOM 127 O CYS A 9 13.817 -2.875 5.276 1.00 0.00 O ATOM 128 CB CYS A 9 15.622 -0.598 4.553 1.00 0.00 C ATOM 129 SG CYS A 9 16.641 -2.092 4.519 1.00 0.00 S ATOM 0 H CYS A 9 15.854 -1.576 6.926 1.00 0.00 H new ATOM 0 HA CYS A 9 14.057 0.369 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.157 -0.466 3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.267 0.265 4.718 1.00 0.00 H new ATOM 0 HG CYS A 9 15.916 -3.119 4.849 1.00 0.00 H new ATOM 135 N VAL A 10 12.246 -1.283 5.103 1.00 0.00 N ATOM 136 CA VAL A 10 11.178 -2.240 4.826 1.00 0.00 C ATOM 137 C VAL A 10 10.701 -2.146 3.386 1.00 0.00 C ATOM 138 O VAL A 10 10.765 -1.092 2.764 1.00 0.00 O ATOM 139 CB VAL A 10 9.974 -2.030 5.779 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.787 -1.388 5.065 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.567 -3.345 6.418 1.00 0.00 C ATOM 0 H VAL A 10 11.949 -0.307 5.123 1.00 0.00 H new ATOM 0 HA VAL A 10 11.597 -3.233 4.992 1.00 0.00 H new ATOM 0 HB VAL A 10 10.292 -1.342 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.965 -1.259 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.082 -0.416 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.465 -2.030 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.720 -3.179 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.284 -4.055 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.404 -3.747 6.989 1.00 0.00 H new ATOM 151 N VAL A 11 10.213 -3.258 2.865 1.00 0.00 N ATOM 152 CA VAL A 11 9.720 -3.301 1.504 1.00 0.00 C ATOM 153 C VAL A 11 8.386 -4.040 1.426 1.00 0.00 C ATOM 154 O VAL A 11 8.256 -5.166 1.905 1.00 0.00 O ATOM 155 CB VAL A 11 10.756 -3.953 0.581 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.139 -5.326 1.099 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.250 -4.022 -0.854 1.00 0.00 C ATOM 0 H VAL A 11 10.148 -4.144 3.367 1.00 0.00 H new ATOM 0 HA VAL A 11 9.554 -2.277 1.170 1.00 0.00 H new ATOM 0 HB VAL A 11 11.651 -3.331 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.875 -5.774 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.564 -5.232 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.253 -5.960 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.007 -4.489 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.334 -4.612 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.047 -3.014 -1.217 1.00 0.00 H new ATOM 167 N VAL A 12 7.393 -3.377 0.840 1.00 0.00 N ATOM 168 CA VAL A 12 6.053 -3.943 0.717 1.00 0.00 C ATOM 169 C VAL A 12 5.829 -4.612 -0.632 1.00 0.00 C ATOM 170 O VAL A 12 5.620 -3.939 -1.639 1.00 0.00 O ATOM 171 CB VAL A 12 4.980 -2.853 0.897 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.891 -2.435 2.352 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.282 -1.651 0.013 1.00 0.00 C ATOM 0 H VAL A 12 7.492 -2.443 0.441 1.00 0.00 H new ATOM 0 HA VAL A 12 5.968 -4.695 1.502 1.00 0.00 H new ATOM 0 HB VAL A 12 4.017 -3.265 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.128 -1.664 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.626 -3.298 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.854 -2.042 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.512 -0.892 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.254 -1.237 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.297 -1.962 -1.032 1.00 0.00 H new ATOM 183 N GLN A 13 5.841 -5.940 -0.640 1.00 0.00 N ATOM 184 CA GLN A 13 5.608 -6.692 -1.866 1.00 0.00 C ATOM 185 C GLN A 13 4.114 -6.947 -2.038 1.00 0.00 C ATOM 186 O GLN A 13 3.531 -7.764 -1.325 1.00 0.00 O ATOM 187 CB GLN A 13 6.367 -8.019 -1.834 1.00 0.00 C ATOM 188 CG GLN A 13 6.734 -8.540 -3.214 1.00 0.00 C ATOM 189 CD GLN A 13 8.016 -9.349 -3.209 1.00 0.00 C ATOM 190 OE1 GLN A 13 8.004 -10.553 -2.952 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.133 -8.690 -3.495 1.00 0.00 N ATOM 0 H GLN A 13 6.009 -6.516 0.185 1.00 0.00 H new ATOM 0 HA GLN A 13 5.972 -6.107 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.277 -7.894 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.758 -8.765 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.920 -9.158 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.842 -7.699 -3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.097 -7.692 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.026 -9.182 -3.508 1.00 0.00 H new ATOM 200 N ASN A 14 3.493 -6.236 -2.974 1.00 0.00 N ATOM 201 CA ASN A 14 2.060 -6.389 -3.213 1.00 0.00 C ATOM 202 C ASN A 14 1.775 -7.312 -4.388 1.00 0.00 C ATOM 203 O ASN A 14 2.484 -7.309 -5.393 1.00 0.00 O ATOM 204 CB ASN A 14 1.384 -5.036 -3.471 1.00 0.00 C ATOM 205 CG ASN A 14 2.277 -4.059 -4.205 1.00 0.00 C ATOM 206 OD1 ASN A 14 3.293 -3.609 -3.675 1.00 0.00 O ATOM 207 ND2 ASN A 14 1.901 -3.728 -5.434 1.00 0.00 N ATOM 0 H ASN A 14 3.954 -5.553 -3.576 1.00 0.00 H new ATOM 0 HA ASN A 14 1.648 -6.832 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.475 -5.195 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.082 -4.599 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.462 -3.075 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.051 -4.127 -5.832 1.00 0.00 H new ATOM 214 N ARG A 15 0.702 -8.072 -4.248 1.00 0.00 N ATOM 215 CA ARG A 15 0.254 -8.990 -5.282 1.00 0.00 C ATOM 216 C ARG A 15 -1.263 -8.918 -5.371 1.00 0.00 C ATOM 217 O ARG A 15 -1.943 -9.921 -5.590 1.00 0.00 O ATOM 218 CB ARG A 15 0.703 -10.419 -4.967 1.00 0.00 C ATOM 219 CG ARG A 15 1.140 -11.206 -6.192 1.00 0.00 C ATOM 220 CD ARG A 15 1.638 -12.593 -5.815 1.00 0.00 C ATOM 221 NE ARG A 15 1.179 -13.614 -6.753 1.00 0.00 N ATOM 222 CZ ARG A 15 -0.038 -14.152 -6.728 1.00 0.00 C ATOM 223 NH1 ARG A 15 -0.922 -13.768 -5.815 1.00 0.00 N ATOM 224 NH2 ARG A 15 -0.374 -15.075 -7.619 1.00 0.00 N ATOM 0 H ARG A 15 0.116 -8.070 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 15 0.694 -8.706 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.528 -10.383 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.115 -10.948 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.304 -11.295 -6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.930 -10.663 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.728 -12.591 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.293 -12.842 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 15 1.830 -13.934 -7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.670 -13.057 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.853 -14.184 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.300 -15.373 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.307 -15.487 -7.599 1.00 0.00 H new ATOM 238 N ILE A 16 -1.782 -7.711 -5.158 1.00 0.00 N ATOM 239 CA ILE A 16 -3.214 -7.463 -5.165 1.00 0.00 C ATOM 240 C ILE A 16 -3.794 -7.409 -6.580 1.00 0.00 C ATOM 241 O ILE A 16 -4.654 -8.219 -6.927 1.00 0.00 O ATOM 242 CB ILE A 16 -3.539 -6.155 -4.413 1.00 0.00 C ATOM 243 CG1 ILE A 16 -2.866 -6.157 -3.036 1.00 0.00 C ATOM 244 CG2 ILE A 16 -5.040 -5.979 -4.267 1.00 0.00 C ATOM 245 CD1 ILE A 16 -1.684 -5.218 -2.939 1.00 0.00 C ATOM 0 H ILE A 16 -1.219 -6.880 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.682 -8.304 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.152 -5.317 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.602 -5.881 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.535 -7.169 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.247 -5.051 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.500 -5.941 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.452 -6.819 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.258 -5.272 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.929 -5.506 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.012 -4.198 -3.139 1.00 0.00 H new ATOM 257 N LYS A 17 -3.341 -6.455 -7.396 1.00 0.00 N ATOM 258 CA LYS A 17 -3.858 -6.332 -8.760 1.00 0.00 C ATOM 259 C LYS A 17 -3.255 -5.139 -9.503 1.00 0.00 C ATOM 260 O LYS A 17 -3.915 -4.531 -10.346 1.00 0.00 O ATOM 261 CB LYS A 17 -5.379 -6.188 -8.727 1.00 0.00 C ATOM 262 CG LYS A 17 -5.869 -5.242 -7.646 1.00 0.00 C ATOM 263 CD LYS A 17 -7.387 -5.223 -7.566 1.00 0.00 C ATOM 264 CE LYS A 17 -7.912 -6.339 -6.678 1.00 0.00 C ATOM 265 NZ LYS A 17 -9.393 -6.282 -6.534 1.00 0.00 N ATOM 0 H LYS A 17 -2.631 -5.768 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.574 -7.238 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.724 -5.830 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.827 -7.170 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.457 -5.544 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.502 -4.236 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.720 -4.260 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.806 -5.325 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.625 -7.303 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.448 -6.269 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.712 -7.059 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.666 -5.372 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.837 -6.374 -7.470 1.00 0.00 H new ATOM 279 N GLU A 18 -2.006 -4.810 -9.198 1.00 0.00 N ATOM 280 CA GLU A 18 -1.330 -3.692 -9.854 1.00 0.00 C ATOM 281 C GLU A 18 -2.171 -2.419 -9.786 1.00 0.00 C ATOM 282 O GLU A 18 -2.046 -1.537 -10.635 1.00 0.00 O ATOM 283 CB GLU A 18 -1.021 -4.020 -11.323 1.00 0.00 C ATOM 284 CG GLU A 18 -0.974 -5.508 -11.646 1.00 0.00 C ATOM 285 CD GLU A 18 0.326 -5.922 -12.308 1.00 0.00 C ATOM 286 OE1 GLU A 18 1.356 -5.263 -12.056 1.00 0.00 O ATOM 287 OE2 GLU A 18 0.312 -6.904 -13.080 1.00 0.00 O ATOM 0 H GLU A 18 -1.440 -5.298 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.394 -3.525 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.776 -3.549 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.062 -3.574 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.107 -6.079 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.807 -5.760 -12.302 1.00 0.00 H new ATOM 294 N GLY A 19 -3.028 -2.330 -8.775 1.00 0.00 N ATOM 295 CA GLY A 19 -3.872 -1.160 -8.625 1.00 0.00 C ATOM 296 C GLY A 19 -4.759 -1.243 -7.401 1.00 0.00 C ATOM 297 O GLY A 19 -5.950 -1.535 -7.506 1.00 0.00 O ATOM 0 H GLY A 19 -3.153 -3.045 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.246 -0.270 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.493 -1.047 -9.514 1.00 0.00 H new ATOM 301 N TYR A 20 -4.175 -0.990 -6.236 1.00 0.00 N ATOM 302 CA TYR A 20 -4.919 -1.040 -4.985 1.00 0.00 C ATOM 303 C TYR A 20 -4.334 -0.070 -3.964 1.00 0.00 C ATOM 304 O TYR A 20 -4.369 -0.322 -2.760 1.00 0.00 O ATOM 305 CB TYR A 20 -4.918 -2.464 -4.428 1.00 0.00 C ATOM 306 CG TYR A 20 -5.924 -2.682 -3.320 1.00 0.00 C ATOM 307 CD1 TYR A 20 -7.265 -2.904 -3.607 1.00 0.00 C ATOM 308 CD2 TYR A 20 -5.533 -2.666 -1.987 1.00 0.00 C ATOM 309 CE1 TYR A 20 -8.187 -3.103 -2.598 1.00 0.00 C ATOM 310 CE2 TYR A 20 -6.449 -2.865 -0.972 1.00 0.00 C ATOM 311 CZ TYR A 20 -7.774 -3.083 -1.282 1.00 0.00 C ATOM 312 OH TYR A 20 -8.690 -3.281 -0.275 1.00 0.00 O ATOM 0 H TYR A 20 -3.189 -0.748 -6.132 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.948 -0.740 -5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.126 -3.162 -5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.921 -2.698 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.592 -2.921 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.496 -2.495 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.226 -3.273 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.128 -2.850 0.059 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.237 -3.238 0.593 1.00 0.00 H new ATOM 322 N ARG A 21 -3.808 1.045 -4.458 1.00 0.00 N ATOM 323 CA ARG A 21 -3.225 2.065 -3.596 1.00 0.00 C ATOM 324 C ARG A 21 -2.056 1.517 -2.791 1.00 0.00 C ATOM 325 O ARG A 21 -1.815 0.310 -2.761 1.00 0.00 O ATOM 326 CB ARG A 21 -4.282 2.612 -2.637 1.00 0.00 C ATOM 327 CG ARG A 21 -5.418 3.353 -3.320 1.00 0.00 C ATOM 328 CD ARG A 21 -4.922 4.240 -4.454 1.00 0.00 C ATOM 329 NE ARG A 21 -5.948 5.174 -4.909 1.00 0.00 N ATOM 330 CZ ARG A 21 -7.022 4.814 -5.606 1.00 0.00 C ATOM 331 NH1 ARG A 21 -7.215 3.542 -5.931 1.00 0.00 N ATOM 332 NH2 ARG A 21 -7.905 5.729 -5.982 1.00 0.00 N ATOM 0 H ARG A 21 -3.774 1.265 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.857 2.864 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.697 1.785 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.800 3.284 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.137 2.633 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.945 3.963 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.047 4.798 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.604 3.616 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.834 6.161 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.538 2.834 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.041 3.272 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.760 6.708 -5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.729 5.453 -6.517 1.00 0.00 H new ATOM 346 N ARG A 22 -1.343 2.420 -2.124 1.00 0.00 N ATOM 347 CA ARG A 22 -0.207 2.041 -1.299 1.00 0.00 C ATOM 348 C ARG A 22 0.428 3.270 -0.652 1.00 0.00 C ATOM 349 O ARG A 22 0.315 3.476 0.557 1.00 0.00 O ATOM 350 CB ARG A 22 0.835 1.284 -2.122 1.00 0.00 C ATOM 351 CG ARG A 22 1.552 0.198 -1.337 1.00 0.00 C ATOM 352 CD ARG A 22 2.571 0.787 -0.375 1.00 0.00 C ATOM 353 NE ARG A 22 3.761 1.277 -1.068 1.00 0.00 N ATOM 354 CZ ARG A 22 4.664 2.080 -0.511 1.00 0.00 C ATOM 355 NH1 ARG A 22 4.518 2.488 0.745 1.00 0.00 N ATOM 356 NH2 ARG A 22 5.718 2.479 -1.212 1.00 0.00 N ATOM 0 H ARG A 22 -1.535 3.422 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.572 1.382 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.347 0.835 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.571 1.992 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.823 -0.392 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.052 -0.482 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.113 1.605 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.862 0.030 0.353 1.00 0.00 H new ATOM 0 HE ARG A 22 3.908 0.987 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.710 2.186 1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.214 3.104 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.835 2.170 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.411 3.095 -0.786 1.00 0.00 H new ATOM 370 N ALA A 23 1.092 4.084 -1.466 1.00 0.00 N ATOM 371 CA ALA A 23 1.739 5.296 -0.977 1.00 0.00 C ATOM 372 C ALA A 23 0.952 6.540 -1.378 1.00 0.00 C ATOM 373 O ALA A 23 1.454 7.660 -1.286 1.00 0.00 O ATOM 374 CB ALA A 23 3.161 5.382 -1.510 1.00 0.00 C ATOM 0 H ALA A 23 1.196 3.926 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 23 1.767 5.249 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.634 6.291 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.728 4.514 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.141 5.403 -2.600 1.00 0.00 H new ATOM 380 N GLY A 24 -0.278 6.334 -1.837 1.00 0.00 N ATOM 381 CA GLY A 24 -1.109 7.444 -2.261 1.00 0.00 C ATOM 382 C GLY A 24 -1.291 7.455 -3.763 1.00 0.00 C ATOM 383 O GLY A 24 -1.463 8.510 -4.373 1.00 0.00 O ATOM 0 H GLY A 24 -0.714 5.416 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.083 7.378 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.656 8.382 -1.941 1.00 0.00 H new ATOM 387 N PHE A 25 -1.244 6.268 -4.357 1.00 0.00 N ATOM 388 CA PHE A 25 -1.391 6.117 -5.795 1.00 0.00 C ATOM 389 C PHE A 25 -1.536 4.643 -6.163 1.00 0.00 C ATOM 390 O PHE A 25 -1.198 3.764 -5.371 1.00 0.00 O ATOM 391 CB PHE A 25 -0.184 6.732 -6.513 1.00 0.00 C ATOM 392 CG PHE A 25 1.054 5.871 -6.502 1.00 0.00 C ATOM 393 CD1 PHE A 25 1.332 5.033 -5.430 1.00 0.00 C ATOM 394 CD2 PHE A 25 1.939 5.902 -7.568 1.00 0.00 C ATOM 395 CE1 PHE A 25 2.469 4.248 -5.424 1.00 0.00 C ATOM 396 CE2 PHE A 25 3.076 5.117 -7.567 1.00 0.00 C ATOM 397 CZ PHE A 25 3.342 4.290 -6.494 1.00 0.00 C ATOM 0 H PHE A 25 -1.104 5.390 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.293 6.641 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.459 6.938 -7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.050 7.690 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.652 4.995 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.737 6.548 -8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.675 3.602 -4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.756 5.150 -8.405 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.231 3.677 -6.491 1.00 0.00 H new ATOM 407 N SER A 26 -2.038 4.376 -7.363 1.00 0.00 N ATOM 408 CA SER A 26 -2.220 3.004 -7.823 1.00 0.00 C ATOM 409 C SER A 26 -0.877 2.288 -7.927 1.00 0.00 C ATOM 410 O SER A 26 -0.309 2.170 -9.012 1.00 0.00 O ATOM 411 CB SER A 26 -2.926 2.989 -9.180 1.00 0.00 C ATOM 412 OG SER A 26 -2.698 4.196 -9.888 1.00 0.00 O ATOM 0 H SER A 26 -2.326 5.089 -8.033 1.00 0.00 H new ATOM 0 HA SER A 26 -2.838 2.479 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.569 2.145 -9.770 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.997 2.846 -9.035 1.00 0.00 H new ATOM 0 HG SER A 26 -3.158 4.160 -10.752 1.00 0.00 H new ATOM 418 N PHE A 27 -0.370 1.815 -6.791 1.00 0.00 N ATOM 419 CA PHE A 27 0.909 1.116 -6.763 1.00 0.00 C ATOM 420 C PHE A 27 0.862 -0.139 -7.628 1.00 0.00 C ATOM 421 O PHE A 27 -0.039 -0.966 -7.488 1.00 0.00 O ATOM 422 CB PHE A 27 1.296 0.744 -5.327 1.00 0.00 C ATOM 423 CG PHE A 27 2.737 0.333 -5.182 1.00 0.00 C ATOM 424 CD1 PHE A 27 3.733 0.994 -5.886 1.00 0.00 C ATOM 425 CD2 PHE A 27 3.097 -0.717 -4.349 1.00 0.00 C ATOM 426 CE1 PHE A 27 5.057 0.619 -5.760 1.00 0.00 C ATOM 427 CE2 PHE A 27 4.420 -1.095 -4.221 1.00 0.00 C ATOM 428 CZ PHE A 27 5.400 -0.427 -4.927 1.00 0.00 C ATOM 0 H PHE A 27 -0.824 1.903 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 27 1.664 1.791 -7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.102 1.595 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.658 -0.071 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.470 1.812 -6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.335 -1.244 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.822 1.144 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.687 -1.913 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.434 -0.722 -4.828 1.00 0.00 H new ATOM 438 N HIS A 28 1.836 -0.275 -8.522 1.00 0.00 N ATOM 439 CA HIS A 28 1.905 -1.428 -9.405 1.00 0.00 C ATOM 440 C HIS A 28 2.253 -2.685 -8.620 1.00 0.00 C ATOM 441 O HIS A 28 2.863 -2.614 -7.554 1.00 0.00 O ATOM 442 CB HIS A 28 2.944 -1.196 -10.503 1.00 0.00 C ATOM 443 CG HIS A 28 2.534 -0.160 -11.504 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.158 1.119 -11.151 1.00 0.00 N ATOM 445 CD2 HIS A 28 2.443 -0.218 -12.854 1.00 0.00 C ATOM 446 CE1 HIS A 28 1.851 1.802 -12.240 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.018 1.014 -13.286 1.00 0.00 N ATOM 0 H HIS A 28 2.588 0.401 -8.652 1.00 0.00 H new ATOM 0 HA HIS A 28 0.926 -1.563 -9.866 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.885 -0.894 -10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.130 -2.137 -11.021 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.664 -1.074 -13.475 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.520 2.830 -12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.857 1.278 -14.258 1.00 0.00 H new ATOM 456 N LEU A 29 1.862 -3.834 -9.155 1.00 0.00 N ATOM 457 CA LEU A 29 2.136 -5.106 -8.503 1.00 0.00 C ATOM 458 C LEU A 29 3.637 -5.356 -8.430 1.00 0.00 C ATOM 459 O LEU A 29 4.244 -5.867 -9.371 1.00 0.00 O ATOM 460 CB LEU A 29 1.438 -6.249 -9.240 1.00 0.00 C ATOM 461 CG LEU A 29 0.921 -7.374 -8.339 1.00 0.00 C ATOM 462 CD1 LEU A 29 -0.459 -7.839 -8.788 1.00 0.00 C ATOM 463 CD2 LEU A 29 1.903 -8.534 -8.328 1.00 0.00 C ATOM 0 H LEU A 29 1.355 -3.911 -10.037 1.00 0.00 H new ATOM 0 HA LEU A 29 1.744 -5.062 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.600 -5.840 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.133 -6.673 -9.964 1.00 0.00 H new ATOM 0 HG LEU A 29 0.830 -6.987 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.805 -8.638 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.158 -7.004 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.403 -8.208 -9.812 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.523 -9.327 -7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.025 -8.917 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.867 -8.191 -7.951 1.00 0.00 H new ATOM 475 N GLY A 30 4.224 -4.982 -7.301 1.00 0.00 N ATOM 476 CA GLY A 30 5.649 -5.153 -7.098 1.00 0.00 C ATOM 477 C GLY A 30 6.041 -4.947 -5.651 1.00 0.00 C ATOM 478 O GLY A 30 5.394 -5.474 -4.746 1.00 0.00 O ATOM 0 H GLY A 30 3.732 -4.559 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.944 -6.153 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.193 -4.447 -7.726 1.00 0.00 H new ATOM 482 N ASP A 31 7.096 -4.176 -5.430 1.00 0.00 N ATOM 483 CA ASP A 31 7.565 -3.902 -4.077 1.00 0.00 C ATOM 484 C ASP A 31 8.378 -2.613 -4.018 1.00 0.00 C ATOM 485 O ASP A 31 9.150 -2.310 -4.928 1.00 0.00 O ATOM 486 CB ASP A 31 8.401 -5.071 -3.559 1.00 0.00 C ATOM 487 CG ASP A 31 9.647 -5.305 -4.390 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.684 -4.840 -5.549 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.587 -5.953 -3.882 1.00 0.00 O ATOM 0 H ASP A 31 7.643 -3.730 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 31 6.688 -3.777 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.688 -4.879 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.793 -5.976 -3.558 1.00 0.00 H new ATOM 494 N ASN A 32 8.204 -1.863 -2.932 1.00 0.00 N ATOM 495 CA ASN A 32 8.927 -0.609 -2.742 1.00 0.00 C ATOM 496 C ASN A 32 9.732 -0.660 -1.450 1.00 0.00 C ATOM 497 O ASN A 32 9.238 -1.128 -0.428 1.00 0.00 O ATOM 498 CB ASN A 32 7.950 0.569 -2.701 1.00 0.00 C ATOM 499 CG ASN A 32 8.508 1.804 -3.382 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.696 2.104 -3.273 1.00 0.00 O ATOM 501 ND2 ASN A 32 7.648 2.527 -4.089 1.00 0.00 N ATOM 0 H ASN A 32 7.569 -2.102 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 32 9.609 -0.470 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.017 0.281 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.712 0.805 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.964 3.369 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.671 2.240 -4.152 1.00 0.00 H new ATOM 508 N SER A 33 10.975 -0.189 -1.496 1.00 0.00 N ATOM 509 CA SER A 33 11.829 -0.206 -0.315 1.00 0.00 C ATOM 510 C SER A 33 11.633 1.035 0.538 1.00 0.00 C ATOM 511 O SER A 33 11.399 2.133 0.032 1.00 0.00 O ATOM 512 CB SER A 33 13.302 -0.323 -0.697 1.00 0.00 C ATOM 513 OG SER A 33 13.562 0.308 -1.939 1.00 0.00 O ATOM 0 H SER A 33 11.409 0.205 -2.330 1.00 0.00 H new ATOM 0 HA SER A 33 11.538 -1.081 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.919 0.129 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.583 -1.375 -0.755 1.00 0.00 H new ATOM 0 HG SER A 33 14.513 0.219 -2.158 1.00 0.00 H new ATOM 519 N LEU A 34 11.740 0.839 1.841 1.00 0.00 N ATOM 520 CA LEU A 34 11.587 1.918 2.803 1.00 0.00 C ATOM 521 C LEU A 34 12.929 2.206 3.480 1.00 0.00 C ATOM 522 O LEU A 34 13.695 1.289 3.773 1.00 0.00 O ATOM 523 CB LEU A 34 10.503 1.537 3.834 1.00 0.00 C ATOM 524 CG LEU A 34 10.377 2.419 5.070 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.314 1.901 6.143 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.642 3.885 4.758 1.00 0.00 C ATOM 0 H LEU A 34 11.935 -0.070 2.261 1.00 0.00 H new ATOM 0 HA LEU A 34 11.269 2.828 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.540 1.530 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.696 0.517 4.165 1.00 0.00 H new ATOM 0 HG LEU A 34 9.350 2.369 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.231 2.526 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.047 0.875 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.340 1.929 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.541 4.475 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.652 3.996 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.923 4.235 4.017 1.00 0.00 H new ATOM 538 N ALA A 35 13.206 3.483 3.717 1.00 0.00 N ATOM 539 CA ALA A 35 14.441 3.910 4.348 1.00 0.00 C ATOM 540 C ALA A 35 14.451 3.514 5.811 1.00 0.00 C ATOM 541 O ALA A 35 13.409 3.275 6.405 1.00 0.00 O ATOM 542 CB ALA A 35 14.615 5.408 4.208 1.00 0.00 C ATOM 0 H ALA A 35 12.578 4.249 3.475 1.00 0.00 H new ATOM 0 HA ALA A 35 15.274 3.415 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.546 5.712 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.646 5.673 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.778 5.918 4.685 1.00 0.00 H new ATOM 548 N ALA A 36 15.631 3.416 6.384 1.00 0.00 N ATOM 549 CA ALA A 36 15.750 2.999 7.772 1.00 0.00 C ATOM 550 C ALA A 36 15.218 4.067 8.716 1.00 0.00 C ATOM 551 O ALA A 36 15.782 5.153 8.845 1.00 0.00 O ATOM 552 CB ALA A 36 17.199 2.674 8.101 1.00 0.00 C ATOM 0 H ALA A 36 16.516 3.616 5.919 1.00 0.00 H new ATOM 0 HA ALA A 36 15.147 2.102 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.275 2.363 9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.547 1.867 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.816 3.558 7.941 1.00 0.00 H new ATOM 558 N VAL A 37 14.103 3.726 9.363 1.00 0.00 N ATOM 559 CA VAL A 37 13.433 4.614 10.304 1.00 0.00 C ATOM 560 C VAL A 37 13.192 3.905 11.635 1.00 0.00 C ATOM 561 O VAL A 37 13.357 2.689 11.737 1.00 0.00 O ATOM 562 CB VAL A 37 12.077 5.095 9.743 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.545 6.276 10.537 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.198 5.446 8.266 1.00 0.00 C ATOM 0 H VAL A 37 13.641 2.824 9.247 1.00 0.00 H new ATOM 0 HA VAL A 37 14.083 5.475 10.459 1.00 0.00 H new ATOM 0 HB VAL A 37 11.363 4.277 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.589 6.594 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.407 5.982 11.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.256 7.100 10.484 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.231 5.782 7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.933 6.241 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.517 4.566 7.708 1.00 0.00 H new ATOM 574 N SER A 38 12.803 4.668 12.652 1.00 0.00 N ATOM 575 CA SER A 38 12.542 4.107 13.974 1.00 0.00 C ATOM 576 C SER A 38 11.531 2.963 13.908 1.00 0.00 C ATOM 577 O SER A 38 11.846 1.827 14.260 1.00 0.00 O ATOM 578 CB SER A 38 12.030 5.196 14.918 1.00 0.00 C ATOM 579 OG SER A 38 11.548 4.638 16.128 1.00 0.00 O ATOM 0 H SER A 38 12.662 5.676 12.586 1.00 0.00 H new ATOM 0 HA SER A 38 13.482 3.707 14.355 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.833 5.901 15.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.234 5.759 14.431 1.00 0.00 H new ATOM 0 HG SER A 38 11.228 5.355 16.714 1.00 0.00 H new ATOM 585 N GLU A 39 10.314 3.270 13.466 1.00 0.00 N ATOM 586 CA GLU A 39 9.262 2.258 13.371 1.00 0.00 C ATOM 587 C GLU A 39 8.081 2.720 12.511 1.00 0.00 C ATOM 588 O GLU A 39 7.260 1.904 12.093 1.00 0.00 O ATOM 589 CB GLU A 39 8.763 1.889 14.768 1.00 0.00 C ATOM 590 CG GLU A 39 7.924 0.622 14.797 1.00 0.00 C ATOM 591 CD GLU A 39 6.632 0.793 15.573 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.671 1.401 16.664 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.581 0.320 15.090 1.00 0.00 O ATOM 0 H GLU A 39 10.032 4.204 13.170 1.00 0.00 H new ATOM 0 HA GLU A 39 9.701 1.386 12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.620 1.763 15.430 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.173 2.715 15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.692 0.321 13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.507 -0.184 15.242 1.00 0.00 H new ATOM 600 N SER A 40 7.988 4.026 12.263 1.00 0.00 N ATOM 601 CA SER A 40 6.896 4.589 11.468 1.00 0.00 C ATOM 602 C SER A 40 6.583 3.739 10.234 1.00 0.00 C ATOM 603 O SER A 40 5.419 3.475 9.936 1.00 0.00 O ATOM 604 CB SER A 40 7.243 6.017 11.040 1.00 0.00 C ATOM 605 OG SER A 40 6.181 6.908 11.333 1.00 0.00 O ATOM 0 H SER A 40 8.658 4.716 12.602 1.00 0.00 H new ATOM 0 HA SER A 40 6.006 4.597 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.148 6.344 11.552 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.456 6.038 9.971 1.00 0.00 H new ATOM 0 HG SER A 40 6.427 7.814 11.052 1.00 0.00 H new ATOM 611 N GLN A 41 7.622 3.317 9.518 1.00 0.00 N ATOM 612 CA GLN A 41 7.442 2.505 8.314 1.00 0.00 C ATOM 613 C GLN A 41 6.587 1.276 8.587 1.00 0.00 C ATOM 614 O GLN A 41 5.676 0.960 7.823 1.00 0.00 O ATOM 615 CB GLN A 41 8.793 2.072 7.749 1.00 0.00 C ATOM 616 CG GLN A 41 9.657 1.266 8.714 1.00 0.00 C ATOM 617 CD GLN A 41 9.331 -0.226 8.754 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.464 -0.696 7.860 1.00 0.00 O flip ATOM 619 NE2 GLN A 41 9.860 -0.955 9.590 1.00 0.00 N flip ATOM 0 H GLN A 41 8.594 3.522 9.748 1.00 0.00 H new ATOM 0 HA GLN A 41 6.926 3.126 7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.623 1.477 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.345 2.960 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.704 1.390 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.542 1.678 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.521 -0.565 10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.638 -1.950 9.612 1.00 0.00 H new ATOM 628 N LEU A 42 6.902 0.575 9.667 1.00 0.00 N ATOM 629 CA LEU A 42 6.178 -0.636 10.024 1.00 0.00 C ATOM 630 C LEU A 42 4.690 -0.365 10.203 1.00 0.00 C ATOM 631 O LEU A 42 3.851 -1.109 9.698 1.00 0.00 O ATOM 632 CB LEU A 42 6.755 -1.243 11.305 1.00 0.00 C ATOM 633 CG LEU A 42 6.134 -2.576 11.728 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.828 -3.734 11.030 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.206 -2.740 13.238 1.00 0.00 C ATOM 0 H LEU A 42 7.653 0.824 10.310 1.00 0.00 H new ATOM 0 HA LEU A 42 6.296 -1.345 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.827 -1.386 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.629 -0.527 12.117 1.00 0.00 H new ATOM 0 HG LEU A 42 5.085 -2.578 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.373 -4.673 11.343 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.724 -3.623 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.885 -3.737 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.760 -3.693 13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.248 -2.717 13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.662 -1.927 13.719 1.00 0.00 H new ATOM 647 N ALA A 43 4.369 0.695 10.930 1.00 0.00 N ATOM 648 CA ALA A 43 2.980 1.048 11.179 1.00 0.00 C ATOM 649 C ALA A 43 2.350 1.739 9.974 1.00 0.00 C ATOM 650 O ALA A 43 1.141 1.652 9.764 1.00 0.00 O ATOM 651 CB ALA A 43 2.881 1.933 12.406 1.00 0.00 C ATOM 0 H ALA A 43 5.050 1.324 11.357 1.00 0.00 H new ATOM 0 HA ALA A 43 2.427 0.126 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.837 2.192 12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.276 1.401 13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.459 2.843 12.246 1.00 0.00 H new ATOM 657 N GLN A 44 3.170 2.426 9.186 1.00 0.00 N ATOM 658 CA GLN A 44 2.673 3.126 8.009 1.00 0.00 C ATOM 659 C GLN A 44 2.108 2.139 6.993 1.00 0.00 C ATOM 660 O GLN A 44 0.988 2.302 6.507 1.00 0.00 O ATOM 661 CB GLN A 44 3.789 3.957 7.369 1.00 0.00 C ATOM 662 CG GLN A 44 3.571 5.457 7.483 1.00 0.00 C ATOM 663 CD GLN A 44 2.338 5.925 6.737 1.00 0.00 C ATOM 664 OE1 GLN A 44 1.216 5.538 7.064 1.00 0.00 O ATOM 665 NE2 GLN A 44 2.541 6.763 5.726 1.00 0.00 N ATOM 0 H GLN A 44 4.175 2.512 9.340 1.00 0.00 H new ATOM 0 HA GLN A 44 1.873 3.795 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.738 3.699 7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.872 3.689 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.480 5.728 8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.446 5.978 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.489 7.057 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.749 7.112 5.186 1.00 0.00 H new ATOM 674 N LEU A 45 2.894 1.118 6.674 1.00 0.00 N ATOM 675 CA LEU A 45 2.481 0.103 5.713 1.00 0.00 C ATOM 676 C LEU A 45 1.530 -0.908 6.345 1.00 0.00 C ATOM 677 O LEU A 45 0.619 -1.412 5.688 1.00 0.00 O ATOM 678 CB LEU A 45 3.711 -0.600 5.145 1.00 0.00 C ATOM 679 CG LEU A 45 4.804 0.348 4.655 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.047 -0.418 4.231 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.285 1.215 3.521 1.00 0.00 C ATOM 0 H LEU A 45 3.823 0.971 7.068 1.00 0.00 H new ATOM 0 HA LEU A 45 1.943 0.596 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.129 -1.253 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.401 -1.238 4.317 1.00 0.00 H new ATOM 0 HG LEU A 45 5.086 0.998 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.807 0.284 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.433 -0.984 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.794 -1.104 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.076 1.885 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.969 0.580 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.437 1.803 3.871 1.00 0.00 H new ATOM 692 N LYS A 46 1.746 -1.198 7.623 1.00 0.00 N ATOM 693 CA LYS A 46 0.902 -2.149 8.342 1.00 0.00 C ATOM 694 C LYS A 46 -0.430 -1.517 8.743 1.00 0.00 C ATOM 695 O LYS A 46 -1.344 -2.209 9.189 1.00 0.00 O ATOM 696 CB LYS A 46 1.623 -2.667 9.588 1.00 0.00 C ATOM 697 CG LYS A 46 0.978 -3.901 10.198 1.00 0.00 C ATOM 698 CD LYS A 46 1.944 -4.645 11.107 1.00 0.00 C ATOM 699 CE LYS A 46 2.323 -6.001 10.529 1.00 0.00 C ATOM 700 NZ LYS A 46 3.603 -6.512 11.096 1.00 0.00 N ATOM 0 H LYS A 46 2.495 -0.791 8.182 1.00 0.00 H new ATOM 0 HA LYS A 46 0.698 -2.983 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.656 -2.898 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.651 -1.875 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.095 -3.608 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.639 -4.566 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.843 -4.046 11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.490 -4.781 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.526 -6.717 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.413 -5.921 9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.824 -7.437 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.369 -5.842 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.510 -6.613 12.127 1.00 0.00 H new ATOM 714 N ALA A 47 -0.536 -0.198 8.584 1.00 0.00 N ATOM 715 CA ALA A 47 -1.758 0.518 8.933 1.00 0.00 C ATOM 716 C ALA A 47 -2.972 -0.083 8.229 1.00 0.00 C ATOM 717 O ALA A 47 -4.016 -0.294 8.846 1.00 0.00 O ATOM 718 CB ALA A 47 -1.622 1.992 8.584 1.00 0.00 C ATOM 0 H ALA A 47 0.209 0.394 8.216 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.911 0.420 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.541 2.515 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.787 2.421 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.441 2.097 7.514 1.00 0.00 H new ATOM 724 N ASP A 48 -2.827 -0.356 6.936 1.00 0.00 N ATOM 725 CA ASP A 48 -3.913 -0.931 6.151 1.00 0.00 C ATOM 726 C ASP A 48 -3.813 -2.456 6.120 1.00 0.00 C ATOM 727 O ASP A 48 -2.763 -3.008 5.793 1.00 0.00 O ATOM 728 CB ASP A 48 -3.888 -0.377 4.726 1.00 0.00 C ATOM 729 CG ASP A 48 -5.278 -0.096 4.191 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.121 0.407 4.963 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.523 -0.378 2.999 1.00 0.00 O ATOM 0 H ASP A 48 -1.969 -0.188 6.410 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.856 -0.656 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.302 0.542 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.387 -1.089 4.071 1.00 0.00 H new ATOM 736 N PRO A 49 -4.907 -3.163 6.464 1.00 0.00 N ATOM 737 CA PRO A 49 -4.927 -4.626 6.474 1.00 0.00 C ATOM 738 C PRO A 49 -5.099 -5.219 5.078 1.00 0.00 C ATOM 739 O PRO A 49 -6.214 -5.521 4.654 1.00 0.00 O ATOM 740 CB PRO A 49 -6.142 -4.942 7.342 1.00 0.00 C ATOM 741 CG PRO A 49 -7.073 -3.803 7.109 1.00 0.00 C ATOM 742 CD PRO A 49 -6.206 -2.592 6.875 1.00 0.00 C ATOM 0 HA PRO A 49 -3.992 -5.048 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.597 -5.891 7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.868 -5.022 8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.715 -3.994 6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.727 -3.653 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.622 -1.946 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.110 -1.988 7.777 1.00 0.00 H new ATOM 750 N ARG A 50 -3.986 -5.383 4.370 1.00 0.00 N ATOM 751 CA ARG A 50 -4.014 -5.943 3.023 1.00 0.00 C ATOM 752 C ARG A 50 -2.609 -6.317 2.561 1.00 0.00 C ATOM 753 O ARG A 50 -2.263 -7.497 2.486 1.00 0.00 O ATOM 754 CB ARG A 50 -4.644 -4.949 2.045 1.00 0.00 C ATOM 755 CG ARG A 50 -5.692 -5.573 1.139 1.00 0.00 C ATOM 756 CD ARG A 50 -6.999 -5.806 1.878 1.00 0.00 C ATOM 757 NE ARG A 50 -8.137 -5.888 0.966 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.389 -6.106 1.361 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.669 -6.264 2.650 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.366 -6.166 0.466 1.00 0.00 N ATOM 0 H ARG A 50 -3.055 -5.137 4.706 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.621 -6.848 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.100 -4.136 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.859 -4.509 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.868 -4.922 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.320 -6.520 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.930 -6.728 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.162 -4.997 2.589 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.962 -5.771 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.922 -6.218 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.631 -6.431 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.158 -6.045 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.326 -6.333 0.769 1.00 0.00 H new ATOM 774 N LEU A 51 -1.800 -5.307 2.254 1.00 0.00 N ATOM 775 CA LEU A 51 -0.433 -5.539 1.803 1.00 0.00 C ATOM 776 C LEU A 51 0.394 -6.189 2.908 1.00 0.00 C ATOM 777 O LEU A 51 -0.063 -6.312 4.045 1.00 0.00 O ATOM 778 CB LEU A 51 0.213 -4.224 1.361 1.00 0.00 C ATOM 779 CG LEU A 51 -0.275 -3.689 0.013 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.551 -2.880 0.188 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.808 -2.848 -0.647 1.00 0.00 C ATOM 0 H LEU A 51 -2.067 -4.324 2.309 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.464 -6.217 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.026 -3.469 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.293 -4.365 1.310 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.496 -4.537 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.882 -2.508 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.327 -3.513 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.360 -2.038 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.446 -2.475 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.059 -2.007 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.696 -3.459 -0.808 1.00 0.00 H new ATOM 793 N VAL A 52 1.605 -6.622 2.569 1.00 0.00 N ATOM 794 CA VAL A 52 2.479 -7.276 3.537 1.00 0.00 C ATOM 795 C VAL A 52 3.740 -6.461 3.807 1.00 0.00 C ATOM 796 O VAL A 52 4.651 -6.413 2.981 1.00 0.00 O ATOM 797 CB VAL A 52 2.903 -8.671 3.051 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.490 -9.490 4.189 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.734 -9.401 2.404 1.00 0.00 C ATOM 0 H VAL A 52 2.002 -6.532 1.634 1.00 0.00 H new ATOM 0 HA VAL A 52 1.902 -7.362 4.458 1.00 0.00 H new ATOM 0 HB VAL A 52 3.678 -8.541 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.782 -10.472 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.365 -8.980 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.745 -9.606 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.060 -10.385 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.929 -9.513 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.375 -8.827 1.550 1.00 0.00 H new ATOM 809 N VAL A 53 3.794 -5.846 4.981 1.00 0.00 N ATOM 810 CA VAL A 53 4.955 -5.056 5.380 1.00 0.00 C ATOM 811 C VAL A 53 5.792 -5.831 6.391 1.00 0.00 C ATOM 812 O VAL A 53 5.366 -6.059 7.524 1.00 0.00 O ATOM 813 CB VAL A 53 4.546 -3.686 5.970 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.332 -3.823 6.875 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.699 -3.027 6.721 1.00 0.00 C ATOM 0 H VAL A 53 3.048 -5.878 5.675 1.00 0.00 H new ATOM 0 HA VAL A 53 5.547 -4.866 4.485 1.00 0.00 H new ATOM 0 HB VAL A 53 4.283 -3.040 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.065 -2.845 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.494 -4.221 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.565 -4.501 7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.372 -2.067 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.015 -3.672 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.535 -2.870 6.039 1.00 0.00 H new ATOM 825 N GLN A 54 6.978 -6.244 5.966 1.00 0.00 N ATOM 826 CA GLN A 54 7.876 -7.011 6.826 1.00 0.00 C ATOM 827 C GLN A 54 9.263 -6.380 6.891 1.00 0.00 C ATOM 828 O GLN A 54 9.840 -6.020 5.866 1.00 0.00 O ATOM 829 CB GLN A 54 7.983 -8.453 6.323 1.00 0.00 C ATOM 830 CG GLN A 54 7.015 -9.406 7.005 1.00 0.00 C ATOM 831 CD GLN A 54 7.681 -10.243 8.079 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.393 -9.721 8.937 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.452 -11.551 8.039 1.00 0.00 N ATOM 0 H GLN A 54 7.343 -6.062 5.031 1.00 0.00 H new ATOM 0 HA GLN A 54 7.457 -7.007 7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.800 -8.469 5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.001 -8.809 6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.200 -8.834 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.573 -10.065 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.855 -11.942 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.873 -12.164 8.737 1.00 0.00 H new ATOM 842 N ILE A 55 9.794 -6.264 8.107 1.00 0.00 N ATOM 843 CA ILE A 55 11.118 -5.685 8.322 1.00 0.00 C ATOM 844 C ILE A 55 12.205 -6.750 8.229 1.00 0.00 C ATOM 845 O ILE A 55 12.085 -7.828 8.812 1.00 0.00 O ATOM 846 CB ILE A 55 11.210 -4.996 9.698 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.973 -6.008 10.822 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.210 -3.854 9.786 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.249 -6.596 11.386 1.00 0.00 C ATOM 0 H ILE A 55 9.325 -6.565 8.961 1.00 0.00 H new ATOM 0 HA ILE A 55 11.271 -4.943 7.538 1.00 0.00 H new ATOM 0 HB ILE A 55 12.213 -4.586 9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.420 -5.523 11.626 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.345 -6.816 10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.287 -3.377 10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.424 -3.122 9.007 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.201 -4.243 9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.004 -7.304 12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.794 -7.111 10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.869 -5.797 11.793 1.00 0.00 H new ATOM 861 N THR A 56 13.266 -6.440 7.490 1.00 0.00 N ATOM 862 CA THR A 56 14.375 -7.368 7.317 1.00 0.00 C ATOM 863 C THR A 56 15.684 -6.740 7.783 1.00 0.00 C ATOM 864 O THR A 56 16.256 -5.890 7.101 1.00 0.00 O ATOM 865 CB THR A 56 14.491 -7.788 5.851 1.00 0.00 C ATOM 866 OG1 THR A 56 15.004 -6.726 5.065 1.00 0.00 O ATOM 867 CG2 THR A 56 13.172 -8.212 5.245 1.00 0.00 C ATOM 0 H THR A 56 13.380 -5.552 7.001 1.00 0.00 H new ATOM 0 HA THR A 56 14.178 -8.251 7.926 1.00 0.00 H new ATOM 0 HB THR A 56 15.166 -8.644 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.670 -6.227 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.325 -8.497 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.773 -9.062 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.466 -7.383 5.294 1.00 0.00 H new ATOM 875 N GLU A 57 16.152 -7.164 8.951 1.00 0.00 N ATOM 876 CA GLU A 57 17.394 -6.646 9.513 1.00 0.00 C ATOM 877 C GLU A 57 18.531 -7.646 9.334 1.00 0.00 C ATOM 878 O GLU A 57 19.525 -7.358 8.667 1.00 0.00 O ATOM 879 CB GLU A 57 17.210 -6.325 10.997 1.00 0.00 C ATOM 880 CG GLU A 57 17.996 -5.107 11.459 1.00 0.00 C ATOM 881 CD GLU A 57 19.134 -5.466 12.395 1.00 0.00 C ATOM 882 OE1 GLU A 57 19.895 -6.402 12.072 1.00 0.00 O ATOM 883 OE2 GLU A 57 19.264 -4.810 13.450 1.00 0.00 O ATOM 0 H GLU A 57 15.689 -7.866 9.528 1.00 0.00 H new ATOM 0 HA GLU A 57 17.652 -5.731 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.151 -6.160 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.515 -7.189 11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.397 -4.587 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.322 -4.414 11.962 1.00 0.00 H new ATOM 890 N THR A 58 18.379 -8.821 9.935 1.00 0.00 N ATOM 891 CA THR A 58 19.393 -9.866 9.842 1.00 0.00 C ATOM 892 C THR A 58 18.767 -11.247 10.005 1.00 0.00 C ATOM 893 O THR A 58 19.055 -12.164 9.235 1.00 0.00 O ATOM 894 CB THR A 58 20.472 -9.652 10.906 1.00 0.00 C ATOM 895 OG1 THR A 58 21.342 -10.769 10.967 1.00 0.00 O ATOM 896 CG2 THR A 58 19.910 -9.432 12.293 1.00 0.00 C ATOM 0 H THR A 58 17.563 -9.074 10.492 1.00 0.00 H new ATOM 0 HA THR A 58 19.850 -9.809 8.854 1.00 0.00 H new ATOM 0 HB THR A 58 21.005 -8.751 10.601 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.026 -10.614 11.651 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.728 -9.287 12.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.272 -8.548 12.291 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.324 -10.302 12.590 1.00 0.00 H new ATOM 904 N GLY A 59 17.909 -11.390 11.010 1.00 0.00 N ATOM 905 CA GLY A 59 17.256 -12.662 11.254 1.00 0.00 C ATOM 906 C GLY A 59 18.054 -13.556 12.182 1.00 0.00 C ATOM 907 O GLY A 59 18.934 -13.085 12.904 1.00 0.00 O ATOM 0 H GLY A 59 17.654 -10.646 11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.271 -12.484 11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.101 -13.175 10.305 1.00 0.00 H new ATOM 911 N SER A 60 17.747 -14.848 12.165 1.00 0.00 N ATOM 912 CA SER A 60 18.441 -15.811 13.011 1.00 0.00 C ATOM 913 C SER A 60 19.722 -16.299 12.345 1.00 0.00 C ATOM 914 O SER A 60 20.733 -16.526 13.010 1.00 0.00 O ATOM 915 CB SER A 60 17.529 -17.000 13.321 1.00 0.00 C ATOM 916 OG SER A 60 17.707 -17.447 14.653 1.00 0.00 O ATOM 0 H SER A 60 17.021 -15.253 11.574 1.00 0.00 H new ATOM 0 HA SER A 60 18.706 -15.312 13.943 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.489 -16.714 13.166 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.742 -17.815 12.629 1.00 0.00 H new ATOM 0 HG SER A 60 17.112 -18.206 14.826 1.00 0.00 H new ATOM 922 N GLN A 61 19.674 -16.458 11.026 1.00 0.00 N ATOM 923 CA GLN A 61 20.832 -16.920 10.269 1.00 0.00 C ATOM 924 C GLN A 61 20.549 -16.888 8.771 1.00 0.00 C ATOM 925 O GLN A 61 21.224 -16.186 8.016 1.00 0.00 O ATOM 926 CB GLN A 61 21.216 -18.337 10.699 1.00 0.00 C ATOM 927 CG GLN A 61 22.713 -18.534 10.879 1.00 0.00 C ATOM 928 CD GLN A 61 23.042 -19.681 11.813 1.00 0.00 C ATOM 929 OE1 GLN A 61 22.345 -19.914 12.800 1.00 0.00 O ATOM 930 NE2 GLN A 61 24.112 -20.406 11.505 1.00 0.00 N ATOM 0 H GLN A 61 18.846 -16.274 10.460 1.00 0.00 H new ATOM 0 HA GLN A 61 21.664 -16.248 10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.712 -18.572 11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.852 -19.045 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.171 -18.719 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 61 23.152 -17.616 11.269 1.00 0.00 H new ATOM 0 HE21 GLN A 61 24.662 -20.178 10.677 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.384 -21.191 12.097 1.00 0.00 H new ATOM 939 N GLU A 62 19.549 -17.652 8.345 1.00 0.00 N ATOM 940 CA GLU A 62 19.176 -17.712 6.936 1.00 0.00 C ATOM 941 C GLU A 62 17.930 -18.567 6.738 1.00 0.00 C ATOM 942 O GLU A 62 16.928 -18.106 6.191 1.00 0.00 O ATOM 943 CB GLU A 62 20.332 -18.273 6.105 1.00 0.00 C ATOM 944 CG GLU A 62 20.063 -18.272 4.609 1.00 0.00 C ATOM 945 CD GLU A 62 20.466 -19.572 3.943 1.00 0.00 C ATOM 946 OE1 GLU A 62 20.269 -20.641 4.558 1.00 0.00 O ATOM 947 OE2 GLU A 62 20.979 -19.522 2.805 1.00 0.00 O ATOM 0 H GLU A 62 18.981 -18.239 8.956 1.00 0.00 H new ATOM 0 HA GLU A 62 18.955 -16.699 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 62 21.229 -17.688 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 62 20.539 -19.293 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 19.002 -18.092 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 20.606 -17.448 4.147 1.00 0.00 H new ATOM 954 N GLY A 63 17.999 -19.817 7.185 1.00 0.00 N ATOM 955 CA GLY A 63 16.870 -20.718 7.047 1.00 0.00 C ATOM 956 C GLY A 63 16.965 -21.583 5.805 1.00 0.00 C ATOM 957 O GLY A 63 17.482 -21.148 4.776 1.00 0.00 O ATOM 0 H GLY A 63 18.817 -20.222 7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.810 -21.358 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.948 -20.137 7.012 1.00 0.00 H new ATOM 961 N GLY A 64 16.464 -22.810 5.902 1.00 0.00 N ATOM 962 CA GLY A 64 16.505 -23.718 4.771 1.00 0.00 C ATOM 963 C GLY A 64 15.604 -24.923 4.962 1.00 0.00 C ATOM 964 O GLY A 64 16.019 -26.058 4.732 1.00 0.00 O ATOM 0 H GLY A 64 16.031 -23.191 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.206 -23.184 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.530 -24.055 4.617 1.00 0.00 H new ATOM 968 N GLU A 65 14.368 -24.674 5.383 1.00 0.00 N ATOM 969 CA GLU A 65 13.407 -25.747 5.605 1.00 0.00 C ATOM 970 C GLU A 65 12.112 -25.483 4.842 1.00 0.00 C ATOM 971 O GLU A 65 11.017 -25.701 5.360 1.00 0.00 O ATOM 972 CB GLU A 65 13.112 -25.895 7.099 1.00 0.00 C ATOM 973 CG GLU A 65 12.756 -24.583 7.781 1.00 0.00 C ATOM 974 CD GLU A 65 13.803 -24.146 8.789 1.00 0.00 C ATOM 975 OE1 GLU A 65 15.007 -24.303 8.499 1.00 0.00 O ATOM 976 OE2 GLU A 65 13.417 -23.648 9.867 1.00 0.00 O ATOM 0 H GLU A 65 14.009 -23.739 5.577 1.00 0.00 H new ATOM 0 HA GLU A 65 13.843 -26.675 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.290 -26.598 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.983 -26.327 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.637 -23.806 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.795 -24.688 8.284 1.00 0.00 H new ATOM 983 N GLY A 66 12.246 -25.013 3.606 1.00 0.00 N ATOM 984 CA GLY A 66 11.081 -24.726 2.791 1.00 0.00 C ATOM 985 C GLY A 66 11.173 -23.380 2.101 1.00 0.00 C ATOM 986 O GLY A 66 10.601 -23.184 1.028 1.00 0.00 O ATOM 0 H GLY A 66 13.141 -24.826 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.965 -25.508 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.189 -24.750 3.417 1.00 0.00 H new ATOM 990 N LEU A 67 11.895 -22.450 2.718 1.00 0.00 N ATOM 991 CA LEU A 67 12.060 -21.114 2.158 1.00 0.00 C ATOM 992 C LEU A 67 13.356 -21.015 1.358 1.00 0.00 C ATOM 993 O LEU A 67 14.449 -21.094 1.917 1.00 0.00 O ATOM 994 CB LEU A 67 12.056 -20.066 3.273 1.00 0.00 C ATOM 995 CG LEU A 67 11.568 -18.679 2.855 1.00 0.00 C ATOM 996 CD1 LEU A 67 11.269 -17.829 4.080 1.00 0.00 C ATOM 997 CD2 LEU A 67 12.600 -17.996 1.969 1.00 0.00 C ATOM 0 H LEU A 67 12.375 -22.597 3.606 1.00 0.00 H new ATOM 0 HA LEU A 67 11.223 -20.924 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.427 -20.426 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.068 -19.975 3.669 1.00 0.00 H new ATOM 0 HG LEU A 67 10.647 -18.794 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.923 -16.845 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.495 -18.311 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.174 -17.721 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.236 -17.010 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.537 -17.892 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.767 -18.597 1.075 1.00 0.00 H new ATOM 1009 N SER A 68 13.223 -20.843 0.047 1.00 0.00 N ATOM 1010 CA SER A 68 14.384 -20.734 -0.830 1.00 0.00 C ATOM 1011 C SER A 68 14.517 -19.317 -1.382 1.00 0.00 C ATOM 1012 O SER A 68 15.354 -18.540 -0.924 1.00 0.00 O ATOM 1013 CB SER A 68 14.274 -21.736 -1.981 1.00 0.00 C ATOM 1014 OG SER A 68 15.124 -22.851 -1.770 1.00 0.00 O ATOM 0 H SER A 68 12.325 -20.776 -0.431 1.00 0.00 H new ATOM 0 HA SER A 68 15.275 -20.961 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.242 -22.074 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.536 -21.247 -2.919 1.00 0.00 H new ATOM 0 HG SER A 68 15.034 -23.477 -2.518 1.00 0.00 H new ATOM 1020 N LYS A 69 13.687 -18.988 -2.366 1.00 0.00 N ATOM 1021 CA LYS A 69 13.712 -17.666 -2.979 1.00 0.00 C ATOM 1022 C LYS A 69 12.326 -17.269 -3.476 1.00 0.00 C ATOM 1023 O LYS A 69 11.854 -16.162 -3.216 1.00 0.00 O ATOM 1024 CB LYS A 69 14.710 -17.635 -4.137 1.00 0.00 C ATOM 1025 CG LYS A 69 16.159 -17.765 -3.697 1.00 0.00 C ATOM 1026 CD LYS A 69 16.635 -16.516 -2.973 1.00 0.00 C ATOM 1027 CE LYS A 69 17.221 -15.500 -3.942 1.00 0.00 C ATOM 1028 NZ LYS A 69 18.444 -16.014 -4.620 1.00 0.00 N ATOM 0 H LYS A 69 12.988 -19.620 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 69 14.025 -16.949 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.476 -18.444 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.588 -16.701 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.265 -18.630 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.790 -17.945 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.801 -16.067 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.386 -16.788 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.473 -15.241 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.463 -14.584 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.037 -15.214 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.980 -16.614 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.170 -16.573 -5.453 1.00 0.00 H new ATOM 1042 N GLU A 70 11.677 -18.181 -4.194 1.00 0.00 N ATOM 1043 CA GLU A 70 10.343 -17.927 -4.728 1.00 0.00 C ATOM 1044 C GLU A 70 9.327 -18.908 -4.144 1.00 0.00 C ATOM 1045 O GLU A 70 9.391 -20.109 -4.410 1.00 0.00 O ATOM 1046 CB GLU A 70 10.355 -18.037 -6.254 1.00 0.00 C ATOM 1047 CG GLU A 70 9.292 -17.187 -6.932 1.00 0.00 C ATOM 1048 CD GLU A 70 9.443 -17.161 -8.441 1.00 0.00 C ATOM 1049 OE1 GLU A 70 10.521 -16.753 -8.923 1.00 0.00 O ATOM 1050 OE2 GLU A 70 8.483 -17.548 -9.140 1.00 0.00 O ATOM 0 H GLU A 70 12.053 -19.102 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 70 10.050 -16.916 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.336 -17.740 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.210 -19.080 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.305 -17.573 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.346 -16.169 -6.547 1.00 0.00 H new ATOM 1057 N PRO A 71 8.372 -18.413 -3.334 1.00 0.00 N ATOM 1058 CA PRO A 71 7.348 -19.259 -2.716 1.00 0.00 C ATOM 1059 C PRO A 71 6.240 -19.656 -3.691 1.00 0.00 C ATOM 1060 O PRO A 71 5.314 -20.379 -3.326 1.00 0.00 O ATOM 1061 CB PRO A 71 6.790 -18.369 -1.608 1.00 0.00 C ATOM 1062 CG PRO A 71 6.958 -16.983 -2.124 1.00 0.00 C ATOM 1063 CD PRO A 71 8.215 -16.994 -2.954 1.00 0.00 C ATOM 0 HA PRO A 71 7.759 -20.205 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.742 -18.594 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.331 -18.513 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.098 -16.684 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.039 -16.269 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.122 -16.353 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.073 -16.634 -2.386 1.00 0.00 H new ATOM 1071 N ALA A 72 6.336 -19.179 -4.930 1.00 0.00 N ATOM 1072 CA ALA A 72 5.337 -19.487 -5.948 1.00 0.00 C ATOM 1073 C ALA A 72 5.119 -20.993 -6.073 1.00 0.00 C ATOM 1074 O ALA A 72 4.120 -21.527 -5.593 1.00 0.00 O ATOM 1075 CB ALA A 72 5.753 -18.899 -7.289 1.00 0.00 C ATOM 0 H ALA A 72 7.095 -18.578 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 72 4.393 -19.037 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.999 -19.136 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.847 -17.817 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.711 -19.323 -7.591 1.00 0.00 H new ATOM 1081 N GLY A 73 6.063 -21.672 -6.719 1.00 0.00 N ATOM 1082 CA GLY A 73 5.952 -23.109 -6.893 1.00 0.00 C ATOM 1083 C GLY A 73 6.455 -23.570 -8.247 1.00 0.00 C ATOM 1084 O GLY A 73 7.310 -24.451 -8.331 1.00 0.00 O ATOM 0 H GLY A 73 6.901 -21.254 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.518 -23.612 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.910 -23.407 -6.775 1.00 0.00 H new ATOM 1088 N SER A 74 5.922 -22.974 -9.308 1.00 0.00 N ATOM 1089 CA SER A 74 6.322 -23.329 -10.665 1.00 0.00 C ATOM 1090 C SER A 74 6.000 -24.790 -10.963 1.00 0.00 C ATOM 1091 O SER A 74 6.715 -25.452 -11.715 1.00 0.00 O ATOM 1092 CB SER A 74 7.817 -23.068 -10.864 1.00 0.00 C ATOM 1093 OG SER A 74 8.037 -22.132 -11.905 1.00 0.00 O ATOM 0 H SER A 74 5.212 -22.243 -9.255 1.00 0.00 H new ATOM 0 HA SER A 74 5.758 -22.705 -11.359 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.251 -22.694 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.325 -24.004 -11.099 1.00 0.00 H new ATOM 0 HG SER A 74 8.999 -21.981 -12.011 1.00 0.00 H new ATOM 1099 N ASP A 75 4.921 -25.287 -10.368 1.00 0.00 N ATOM 1100 CA ASP A 75 4.504 -26.670 -10.569 1.00 0.00 C ATOM 1101 C ASP A 75 3.198 -26.735 -11.353 1.00 0.00 C ATOM 1102 O ASP A 75 3.079 -27.486 -12.322 1.00 0.00 O ATOM 1103 CB ASP A 75 4.344 -27.376 -9.220 1.00 0.00 C ATOM 1104 CG ASP A 75 5.340 -28.504 -9.036 1.00 0.00 C ATOM 1105 OD1 ASP A 75 5.751 -29.105 -10.050 1.00 0.00 O ATOM 1106 OD2 ASP A 75 5.709 -28.786 -7.876 1.00 0.00 O ATOM 0 H ASP A 75 4.319 -24.752 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 75 5.276 -27.178 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.469 -26.650 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.332 -27.772 -9.138 1.00 0.00 H new ATOM 1111 N GLU A 76 2.217 -25.944 -10.928 1.00 0.00 N ATOM 1112 CA GLU A 76 0.919 -25.912 -11.591 1.00 0.00 C ATOM 1113 C GLU A 76 0.968 -25.041 -12.841 1.00 0.00 C ATOM 1114 O GLU A 76 1.839 -24.181 -12.977 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.153 -25.390 -10.631 1.00 0.00 C ATOM 1116 CG GLU A 76 -0.302 -26.226 -9.372 1.00 0.00 C ATOM 1117 CD GLU A 76 -1.748 -26.560 -9.060 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -2.266 -27.546 -9.627 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -2.363 -25.836 -8.249 1.00 0.00 O ATOM 0 H GLU A 76 2.297 -25.317 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 76 0.665 -26.929 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.091 -24.366 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.110 -25.358 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.264 -27.151 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.132 -25.688 -8.530 1.00 0.00 H new ATOM 1126 N GLN A 77 0.028 -25.269 -13.753 1.00 0.00 N ATOM 1127 CA GLN A 77 -0.036 -24.504 -14.993 1.00 0.00 C ATOM 1128 C GLN A 77 -1.483 -24.246 -15.398 1.00 0.00 C ATOM 1129 O GLN A 77 -1.857 -23.116 -15.712 1.00 0.00 O ATOM 1130 CB GLN A 77 0.694 -25.248 -16.112 1.00 0.00 C ATOM 1131 CG GLN A 77 2.107 -25.669 -15.745 1.00 0.00 C ATOM 1132 CD GLN A 77 3.064 -25.591 -16.918 1.00 0.00 C ATOM 1133 OE1 GLN A 77 2.735 -25.034 -17.966 1.00 0.00 O ATOM 1134 NE2 GLN A 77 4.256 -26.152 -16.749 1.00 0.00 N ATOM 0 H GLN A 77 -0.700 -25.977 -13.656 1.00 0.00 H new ATOM 0 HA GLN A 77 0.452 -23.544 -14.825 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.119 -26.134 -16.383 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.732 -24.611 -16.995 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.474 -25.033 -14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.090 -26.690 -15.363 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.487 -26.603 -15.864 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.941 -26.132 -17.505 1.00 0.00 H new ATOM 1143 N LYS A 78 -2.291 -25.300 -15.390 1.00 0.00 N ATOM 1144 CA LYS A 78 -3.698 -25.188 -15.756 1.00 0.00 C ATOM 1145 C LYS A 78 -4.578 -25.969 -14.785 1.00 0.00 C ATOM 1146 O LYS A 78 -4.077 -26.668 -13.904 1.00 0.00 O ATOM 1147 CB LYS A 78 -3.917 -25.697 -17.182 1.00 0.00 C ATOM 1148 CG LYS A 78 -3.366 -27.094 -17.420 1.00 0.00 C ATOM 1149 CD LYS A 78 -4.033 -27.759 -18.613 1.00 0.00 C ATOM 1150 CE LYS A 78 -3.351 -27.376 -19.916 1.00 0.00 C ATOM 1151 NZ LYS A 78 -4.013 -26.211 -20.568 1.00 0.00 N ATOM 0 H LYS A 78 -1.996 -26.242 -15.134 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.978 -24.136 -15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.985 -25.695 -17.400 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.447 -25.006 -17.882 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.290 -27.039 -17.587 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.519 -27.704 -16.529 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.005 -28.842 -18.491 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.083 -27.470 -18.652 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.305 -27.138 -19.722 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.363 -28.228 -20.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.394 -25.832 -21.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.915 -26.514 -20.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.192 -25.472 -19.859 1.00 0.00 H new ATOM 1165 N GLN A 79 -5.890 -25.844 -14.952 1.00 0.00 N ATOM 1166 CA GLN A 79 -6.839 -26.540 -14.090 1.00 0.00 C ATOM 1167 C GLN A 79 -6.666 -26.114 -12.636 1.00 0.00 C ATOM 1168 O GLN A 79 -5.716 -26.521 -11.968 1.00 0.00 O ATOM 1169 CB GLN A 79 -6.661 -28.055 -14.220 1.00 0.00 C ATOM 1170 CG GLN A 79 -7.951 -28.793 -14.539 1.00 0.00 C ATOM 1171 CD GLN A 79 -7.758 -29.882 -15.577 1.00 0.00 C ATOM 1172 OE1 GLN A 79 -7.317 -29.618 -16.696 1.00 0.00 O ATOM 1173 NE2 GLN A 79 -8.087 -31.115 -15.210 1.00 0.00 N ATOM 0 H GLN A 79 -6.320 -25.268 -15.675 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.847 -26.273 -14.408 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.931 -28.261 -15.003 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.249 -28.445 -13.289 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.349 -29.234 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.693 -28.081 -14.899 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.449 -31.289 -14.272 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.978 -31.889 -15.866 1.00 0.00 H new ATOM 1182 N LEU A 80 -7.592 -25.294 -12.150 1.00 0.00 N ATOM 1183 CA LEU A 80 -7.543 -24.813 -10.774 1.00 0.00 C ATOM 1184 C LEU A 80 -8.770 -25.273 -9.993 1.00 0.00 C ATOM 1185 O LEU A 80 -9.878 -25.312 -10.527 1.00 0.00 O ATOM 1186 CB LEU A 80 -7.444 -23.286 -10.748 1.00 0.00 C ATOM 1187 CG LEU A 80 -6.440 -22.719 -9.745 1.00 0.00 C ATOM 1188 CD1 LEU A 80 -6.752 -23.211 -8.340 1.00 0.00 C ATOM 1189 CD2 LEU A 80 -5.021 -23.099 -10.141 1.00 0.00 C ATOM 0 H LEU A 80 -8.386 -24.948 -12.689 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.657 -25.233 -10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.174 -22.938 -11.745 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.429 -22.877 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.521 -21.632 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.026 -22.797 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.754 -22.890 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.699 -24.299 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.318 -22.687 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.927 -24.185 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.799 -22.697 -11.130 1.00 0.00 H new ATOM 1201 N ARG A 81 -8.563 -25.619 -8.727 1.00 0.00 N ATOM 1202 CA ARG A 81 -9.653 -26.077 -7.872 1.00 0.00 C ATOM 1203 C ARG A 81 -10.713 -24.992 -7.714 1.00 0.00 C ATOM 1204 O ARG A 81 -10.623 -23.927 -8.325 1.00 0.00 O ATOM 1205 CB ARG A 81 -9.113 -26.486 -6.500 1.00 0.00 C ATOM 1206 CG ARG A 81 -9.663 -27.813 -6.001 1.00 0.00 C ATOM 1207 CD ARG A 81 -9.495 -27.955 -4.497 1.00 0.00 C ATOM 1208 NE ARG A 81 -9.938 -29.262 -4.018 1.00 0.00 N ATOM 1209 CZ ARG A 81 -9.213 -30.373 -4.115 1.00 0.00 C ATOM 1210 NH1 ARG A 81 -8.008 -30.341 -4.672 1.00 0.00 N ATOM 1211 NH2 ARG A 81 -9.691 -31.520 -3.653 1.00 0.00 N ATOM 0 H ARG A 81 -7.651 -25.591 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.116 -26.943 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.026 -26.549 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -9.354 -25.707 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.719 -27.891 -6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.151 -28.633 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.447 -27.808 -4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.063 -27.173 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.858 -29.327 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.634 -29.461 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.456 -31.196 -4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.615 -31.551 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.134 -32.372 -3.728 1.00 0.00 H new ATOM 1225 N ALA A 82 -11.717 -25.270 -6.890 1.00 0.00 N ATOM 1226 CA ALA A 82 -12.795 -24.318 -6.650 1.00 0.00 C ATOM 1227 C ALA A 82 -12.512 -23.468 -5.416 1.00 0.00 C ATOM 1228 O ALA A 82 -11.573 -23.737 -4.668 1.00 0.00 O ATOM 1229 CB ALA A 82 -14.119 -25.050 -6.497 1.00 0.00 C ATOM 0 H ALA A 82 -11.807 -26.147 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.858 -23.652 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.916 -24.328 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.333 -25.609 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.058 -25.739 -5.655 1.00 0.00 H new ATOM 1235 N ASP A 83 -13.330 -22.442 -5.211 1.00 0.00 N ATOM 1236 CA ASP A 83 -13.169 -21.552 -4.067 1.00 0.00 C ATOM 1237 C ASP A 83 -14.455 -21.480 -3.248 1.00 0.00 C ATOM 1238 O ASP A 83 -15.554 -21.547 -3.799 1.00 0.00 O ATOM 1239 CB ASP A 83 -12.769 -20.152 -4.537 1.00 0.00 C ATOM 1240 CG ASP A 83 -11.722 -19.519 -3.641 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -10.571 -20.003 -3.639 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -12.053 -18.539 -2.941 1.00 0.00 O ATOM 0 H ASP A 83 -14.112 -22.206 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.379 -21.954 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.385 -20.209 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.653 -19.515 -4.565 1.00 0.00 H new ATOM 1247 N PRO A 84 -14.336 -21.340 -1.916 1.00 0.00 N ATOM 1248 CA PRO A 84 -15.497 -21.258 -1.022 1.00 0.00 C ATOM 1249 C PRO A 84 -16.500 -20.198 -1.471 1.00 0.00 C ATOM 1250 O PRO A 84 -16.269 -19.001 -1.291 1.00 0.00 O ATOM 1251 CB PRO A 84 -14.883 -20.872 0.325 1.00 0.00 C ATOM 1252 CG PRO A 84 -13.483 -21.377 0.262 1.00 0.00 C ATOM 1253 CD PRO A 84 -13.063 -21.249 -1.176 1.00 0.00 C ATOM 0 HA PRO A 84 -16.059 -22.192 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.908 -19.793 0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.430 -21.323 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.829 -20.797 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.426 -22.413 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.557 -20.302 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.373 -22.042 -1.465 1.00 0.00 H new ATOM 1261 N PRO A 85 -17.631 -20.620 -2.064 1.00 0.00 N ATOM 1262 CA PRO A 85 -18.668 -19.697 -2.540 1.00 0.00 C ATOM 1263 C PRO A 85 -19.342 -18.948 -1.394 1.00 0.00 C ATOM 1264 O PRO A 85 -20.513 -19.179 -1.089 1.00 0.00 O ATOM 1265 CB PRO A 85 -19.677 -20.612 -3.254 1.00 0.00 C ATOM 1266 CG PRO A 85 -18.962 -21.905 -3.460 1.00 0.00 C ATOM 1267 CD PRO A 85 -17.990 -22.022 -2.324 1.00 0.00 C ATOM 0 HA PRO A 85 -18.255 -18.922 -3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.575 -20.751 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.993 -20.182 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.661 -22.742 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.445 -21.917 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -18.441 -22.494 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -17.120 -22.620 -2.595 1.00 0.00 H new ATOM 1275 N SER A 86 -18.596 -18.050 -0.761 1.00 0.00 N ATOM 1276 CA SER A 86 -19.121 -17.267 0.351 1.00 0.00 C ATOM 1277 C SER A 86 -18.299 -16.000 0.561 1.00 0.00 C ATOM 1278 O SER A 86 -17.156 -16.058 1.014 1.00 0.00 O ATOM 1279 CB SER A 86 -19.129 -18.104 1.631 1.00 0.00 C ATOM 1280 OG SER A 86 -17.975 -18.923 1.713 1.00 0.00 O ATOM 0 H SER A 86 -17.625 -17.846 -0.999 1.00 0.00 H new ATOM 0 HA SER A 86 -20.143 -16.977 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.174 -17.446 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.023 -18.727 1.656 1.00 0.00 H new ATOM 0 HG SER A 86 -17.178 -18.385 1.525 1.00 0.00 H new ATOM 1286 N THR A 87 -18.889 -14.858 0.228 1.00 0.00 N ATOM 1287 CA THR A 87 -18.211 -13.575 0.381 1.00 0.00 C ATOM 1288 C THR A 87 -19.197 -12.483 0.783 1.00 0.00 C ATOM 1289 O THR A 87 -18.940 -11.709 1.704 1.00 0.00 O ATOM 1290 CB THR A 87 -17.508 -13.188 -0.921 1.00 0.00 C ATOM 1291 OG1 THR A 87 -16.643 -14.224 -1.351 1.00 0.00 O ATOM 1292 CG2 THR A 87 -16.686 -11.923 -0.803 1.00 0.00 C ATOM 0 H THR A 87 -19.834 -14.793 -0.149 1.00 0.00 H new ATOM 0 HA THR A 87 -17.467 -13.677 1.171 1.00 0.00 H new ATOM 0 HB THR A 87 -18.308 -13.017 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.204 -13.958 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.214 -11.705 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 87 -17.334 -11.093 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.917 -12.058 -0.042 1.00 0.00 H new ATOM 1300 N ASP A 88 -20.327 -12.428 0.084 1.00 0.00 N ATOM 1301 CA ASP A 88 -21.351 -11.430 0.367 1.00 0.00 C ATOM 1302 C ASP A 88 -22.747 -12.032 0.239 1.00 0.00 C ATOM 1303 O ASP A 88 -23.601 -11.836 1.103 1.00 0.00 O ATOM 1304 CB ASP A 88 -21.210 -10.239 -0.582 1.00 0.00 C ATOM 1305 CG ASP A 88 -20.487 -9.071 0.060 1.00 0.00 C ATOM 1306 OD1 ASP A 88 -19.306 -9.235 0.431 1.00 0.00 O ATOM 1307 OD2 ASP A 88 -21.102 -7.991 0.191 1.00 0.00 O ATOM 0 H ASP A 88 -20.556 -13.062 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 88 -21.214 -11.087 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -20.669 -10.551 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -22.200 -9.917 -0.906 1.00 0.00 H new ATOM 1312 N LEU A 89 -22.972 -12.762 -0.849 1.00 0.00 N ATOM 1313 CA LEU A 89 -24.265 -13.389 -1.095 1.00 0.00 C ATOM 1314 C LEU A 89 -24.602 -14.409 -0.010 1.00 0.00 C ATOM 1315 O LEU A 89 -25.761 -14.788 0.155 1.00 0.00 O ATOM 1316 CB LEU A 89 -24.278 -14.062 -2.468 1.00 0.00 C ATOM 1317 CG LEU A 89 -25.633 -14.050 -3.178 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -26.173 -12.631 -3.278 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -25.515 -14.676 -4.560 1.00 0.00 C ATOM 0 H LEU A 89 -22.275 -12.934 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 89 -25.024 -12.607 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -23.545 -13.567 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -23.954 -15.096 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 89 -26.335 -14.642 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -27.137 -12.644 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -26.296 -12.217 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -25.474 -12.014 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -26.488 -14.659 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -24.798 -14.111 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -25.174 -15.707 -4.465 1.00 0.00 H new ATOM 1331 N ASN A 90 -23.589 -14.856 0.728 1.00 0.00 N ATOM 1332 CA ASN A 90 -23.794 -15.837 1.792 1.00 0.00 C ATOM 1333 C ASN A 90 -24.946 -15.423 2.709 1.00 0.00 C ATOM 1334 O ASN A 90 -25.844 -16.219 2.988 1.00 0.00 O ATOM 1335 CB ASN A 90 -22.513 -16.006 2.611 1.00 0.00 C ATOM 1336 CG ASN A 90 -22.426 -17.365 3.275 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -22.297 -18.389 2.605 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -22.497 -17.380 4.601 1.00 0.00 N ATOM 0 H ASN A 90 -22.621 -14.556 0.610 1.00 0.00 H new ATOM 0 HA ASN A 90 -24.051 -16.788 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -21.649 -15.866 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -22.468 -15.229 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -22.445 -18.265 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -22.604 -16.506 5.116 1.00 0.00 H new ATOM 1345 N THR A 91 -24.911 -14.179 3.180 1.00 0.00 N ATOM 1346 CA THR A 91 -25.949 -13.662 4.071 1.00 0.00 C ATOM 1347 C THR A 91 -27.330 -13.619 3.401 1.00 0.00 C ATOM 1348 O THR A 91 -28.336 -13.384 4.071 1.00 0.00 O ATOM 1349 CB THR A 91 -25.568 -12.263 4.558 1.00 0.00 C ATOM 1350 OG1 THR A 91 -24.160 -12.110 4.591 1.00 0.00 O ATOM 1351 CG2 THR A 91 -26.097 -11.948 5.941 1.00 0.00 C ATOM 0 H THR A 91 -24.174 -13.509 2.960 1.00 0.00 H new ATOM 0 HA THR A 91 -26.018 -14.347 4.916 1.00 0.00 H new ATOM 0 HB THR A 91 -26.023 -11.574 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 91 -23.936 -11.208 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.792 -10.941 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 91 -27.185 -12.010 5.937 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.695 -12.666 6.656 1.00 0.00 H new ATOM 1359 N PHE A 92 -27.383 -13.840 2.086 1.00 0.00 N ATOM 1360 CA PHE A 92 -28.648 -13.818 1.358 1.00 0.00 C ATOM 1361 C PHE A 92 -29.296 -15.200 1.369 1.00 0.00 C ATOM 1362 O PHE A 92 -28.702 -16.174 0.908 1.00 0.00 O ATOM 1363 CB PHE A 92 -28.408 -13.353 -0.081 1.00 0.00 C ATOM 1364 CG PHE A 92 -27.927 -11.932 -0.186 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -26.723 -11.549 0.383 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -28.680 -10.979 -0.852 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -26.278 -10.244 0.289 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -28.241 -9.673 -0.950 1.00 0.00 C ATOM 1369 CZ PHE A 92 -27.039 -9.305 -0.379 1.00 0.00 C ATOM 0 H PHE A 92 -26.566 -14.035 1.507 1.00 0.00 H new ATOM 0 HA PHE A 92 -29.326 -13.120 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -27.675 -14.011 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -29.335 -13.456 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -26.125 -12.280 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -29.622 -11.260 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -25.337 -9.959 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -28.838 -8.940 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 92 -26.694 -8.284 -0.455 1.00 0.00 H new ATOM 1379 N THR A 93 -30.512 -15.287 1.909 1.00 0.00 N ATOM 1380 CA THR A 93 -31.217 -16.565 1.984 1.00 0.00 C ATOM 1381 C THR A 93 -32.677 -16.440 1.529 1.00 0.00 C ATOM 1382 O THR A 93 -32.975 -16.596 0.344 1.00 0.00 O ATOM 1383 CB THR A 93 -31.137 -17.138 3.407 1.00 0.00 C ATOM 1384 OG1 THR A 93 -32.233 -17.996 3.672 1.00 0.00 O ATOM 1385 CG2 THR A 93 -31.114 -16.078 4.490 1.00 0.00 C ATOM 0 H THR A 93 -31.025 -14.495 2.297 1.00 0.00 H new ATOM 0 HA THR A 93 -30.723 -17.255 1.299 1.00 0.00 H new ATOM 0 HB THR A 93 -30.193 -17.682 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 93 -32.159 -18.350 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 93 -31.057 -16.557 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 93 -30.246 -15.434 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 93 -32.023 -15.479 4.432 1.00 0.00 H new ATOM 1393 N VAL A 94 -33.587 -16.175 2.467 1.00 0.00 N ATOM 1394 CA VAL A 94 -35.006 -16.055 2.141 1.00 0.00 C ATOM 1395 C VAL A 94 -35.618 -14.795 2.746 1.00 0.00 C ATOM 1396 O VAL A 94 -36.369 -14.077 2.089 1.00 0.00 O ATOM 1397 CB VAL A 94 -35.800 -17.279 2.637 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -37.224 -17.244 2.108 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -35.103 -18.568 2.228 1.00 0.00 C ATOM 0 H VAL A 94 -33.367 -16.040 3.454 1.00 0.00 H new ATOM 0 HA VAL A 94 -35.069 -15.997 1.054 1.00 0.00 H new ATOM 0 HB VAL A 94 -35.842 -17.244 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -37.768 -18.117 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -37.719 -16.338 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -37.208 -17.253 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -35.678 -19.422 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -35.028 -18.612 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -34.104 -18.595 2.662 1.00 0.00 H new ATOM 1409 N GLU A 95 -35.299 -14.535 4.001 1.00 0.00 N ATOM 1410 CA GLU A 95 -35.820 -13.368 4.697 1.00 0.00 C ATOM 1411 C GLU A 95 -35.021 -12.104 4.381 1.00 0.00 C ATOM 1412 O GLU A 95 -35.499 -10.993 4.607 1.00 0.00 O ATOM 1413 CB GLU A 95 -35.827 -13.613 6.207 1.00 0.00 C ATOM 1414 CG GLU A 95 -34.441 -13.808 6.798 1.00 0.00 C ATOM 1415 CD GLU A 95 -34.461 -14.631 8.071 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -34.966 -15.772 8.033 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -33.972 -14.134 9.108 1.00 0.00 O ATOM 0 H GLU A 95 -34.679 -15.118 4.563 1.00 0.00 H new ATOM 0 HA GLU A 95 -36.840 -13.211 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -36.308 -12.769 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -36.431 -14.495 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -33.802 -14.298 6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -33.998 -12.834 7.006 1.00 0.00 H new ATOM 1424 N GLN A 96 -33.792 -12.271 3.900 1.00 0.00 N ATOM 1425 CA GLN A 96 -32.933 -11.129 3.612 1.00 0.00 C ATOM 1426 C GLN A 96 -33.166 -10.554 2.224 1.00 0.00 C ATOM 1427 O GLN A 96 -32.978 -9.358 2.012 1.00 0.00 O ATOM 1428 CB GLN A 96 -31.463 -11.519 3.778 1.00 0.00 C ATOM 1429 CG GLN A 96 -30.938 -11.326 5.192 1.00 0.00 C ATOM 1430 CD GLN A 96 -30.700 -9.869 5.532 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -29.604 -9.343 5.332 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -31.728 -9.207 6.052 1.00 0.00 N ATOM 0 H GLN A 96 -33.372 -13.179 3.703 1.00 0.00 H new ATOM 0 HA GLN A 96 -33.191 -10.349 4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -31.338 -12.564 3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -30.859 -10.927 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -31.650 -11.749 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -30.006 -11.879 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -32.618 -9.682 6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -31.627 -8.223 6.303 1.00 0.00 H new ATOM 1441 N LEU A 97 -33.580 -11.385 1.284 1.00 0.00 N ATOM 1442 CA LEU A 97 -33.833 -10.896 -0.062 1.00 0.00 C ATOM 1443 C LEU A 97 -35.240 -10.330 -0.128 1.00 0.00 C ATOM 1444 O LEU A 97 -35.443 -9.171 -0.485 1.00 0.00 O ATOM 1445 CB LEU A 97 -33.631 -11.976 -1.141 1.00 0.00 C ATOM 1446 CG LEU A 97 -33.315 -13.400 -0.675 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -32.166 -13.436 0.323 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -34.553 -14.048 -0.102 1.00 0.00 C ATOM 0 H LEU A 97 -33.746 -12.382 1.421 1.00 0.00 H new ATOM 0 HA LEU A 97 -33.103 -10.115 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -34.535 -12.015 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -32.822 -11.650 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 97 -32.991 -13.969 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -31.978 -14.466 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -31.269 -13.024 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -32.427 -12.843 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -34.315 -15.060 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -34.908 -13.465 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -35.330 -14.087 -0.866 1.00 0.00 H new ATOM 1460 N LYS A 98 -36.205 -11.153 0.247 1.00 0.00 N ATOM 1461 CA LYS A 98 -37.597 -10.740 0.261 1.00 0.00 C ATOM 1462 C LYS A 98 -37.781 -9.478 1.108 1.00 0.00 C ATOM 1463 O LYS A 98 -38.641 -8.649 0.811 1.00 0.00 O ATOM 1464 CB LYS A 98 -38.468 -11.874 0.808 1.00 0.00 C ATOM 1465 CG LYS A 98 -39.455 -12.432 -0.204 1.00 0.00 C ATOM 1466 CD LYS A 98 -39.454 -13.954 -0.207 1.00 0.00 C ATOM 1467 CE LYS A 98 -38.061 -14.515 -0.455 1.00 0.00 C ATOM 1468 NZ LYS A 98 -38.110 -15.874 -1.065 1.00 0.00 N ATOM 0 H LYS A 98 -36.048 -12.115 0.547 1.00 0.00 H new ATOM 0 HA LYS A 98 -37.903 -10.512 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -37.822 -12.681 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -39.018 -11.511 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -40.457 -12.069 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -39.203 -12.065 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -39.829 -14.320 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -40.135 -14.317 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -37.510 -13.842 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -37.514 -14.559 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -37.143 -16.242 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -38.657 -16.511 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -38.564 -15.819 -1.999 1.00 0.00 H new ATOM 1482 N ALA A 99 -36.976 -9.334 2.167 1.00 0.00 N ATOM 1483 CA ALA A 99 -37.081 -8.166 3.039 1.00 0.00 C ATOM 1484 C ALA A 99 -36.277 -6.989 2.516 1.00 0.00 C ATOM 1485 O ALA A 99 -36.574 -5.833 2.820 1.00 0.00 O ATOM 1486 CB ALA A 99 -36.657 -8.518 4.455 1.00 0.00 C ATOM 0 H ALA A 99 -36.255 -10.004 2.436 1.00 0.00 H new ATOM 0 HA ALA A 99 -38.128 -7.862 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -36.742 -7.636 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -37.301 -9.307 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -35.623 -8.864 4.450 1.00 0.00 H new ATOM 1492 N GLN A 100 -35.262 -7.287 1.733 1.00 0.00 N ATOM 1493 CA GLN A 100 -34.410 -6.250 1.164 1.00 0.00 C ATOM 1494 C GLN A 100 -34.990 -5.726 -0.142 1.00 0.00 C ATOM 1495 O GLN A 100 -35.041 -4.517 -0.363 1.00 0.00 O ATOM 1496 CB GLN A 100 -32.990 -6.774 0.938 1.00 0.00 C ATOM 1497 CG GLN A 100 -32.150 -6.817 2.204 1.00 0.00 C ATOM 1498 CD GLN A 100 -30.865 -7.603 2.028 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -30.584 -8.123 0.949 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -30.075 -7.693 3.093 1.00 0.00 N ATOM 0 H GLN A 100 -35.002 -8.238 1.472 1.00 0.00 H new ATOM 0 HA GLN A 100 -34.366 -5.427 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -33.045 -7.777 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -32.491 -6.143 0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.909 -5.799 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -32.736 -7.262 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -30.347 -7.246 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -29.197 -8.209 3.035 1.00 0.00 H new ATOM 1509 N LEU A 101 -35.432 -6.636 -1.006 1.00 0.00 N ATOM 1510 CA LEU A 101 -36.010 -6.248 -2.287 1.00 0.00 C ATOM 1511 C LEU A 101 -37.090 -5.196 -2.084 1.00 0.00 C ATOM 1512 O LEU A 101 -37.100 -4.160 -2.751 1.00 0.00 O ATOM 1513 CB LEU A 101 -36.613 -7.463 -3.006 1.00 0.00 C ATOM 1514 CG LEU A 101 -35.707 -8.172 -4.026 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -36.545 -8.999 -4.988 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -34.850 -7.175 -4.796 1.00 0.00 C ATOM 0 H LEU A 101 -35.401 -7.642 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 101 -35.211 -5.834 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -36.915 -8.191 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -37.519 -7.141 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 101 -35.038 -8.834 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -35.892 -9.496 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -37.107 -9.748 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -37.238 -8.347 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -34.222 -7.709 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -35.495 -6.479 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -34.220 -6.623 -4.099 1.00 0.00 H new ATOM 1528 N THR A 102 -37.996 -5.466 -1.153 1.00 0.00 N ATOM 1529 CA THR A 102 -39.075 -4.540 -0.855 1.00 0.00 C ATOM 1530 C THR A 102 -38.517 -3.268 -0.242 1.00 0.00 C ATOM 1531 O THR A 102 -38.989 -2.168 -0.527 1.00 0.00 O ATOM 1532 CB THR A 102 -40.088 -5.183 0.091 1.00 0.00 C ATOM 1533 OG1 THR A 102 -39.548 -6.345 0.696 1.00 0.00 O ATOM 1534 CG2 THR A 102 -41.369 -5.577 -0.601 1.00 0.00 C ATOM 0 H THR A 102 -38.003 -6.319 -0.593 1.00 0.00 H new ATOM 0 HA THR A 102 -39.584 -4.289 -1.786 1.00 0.00 H new ATOM 0 HB THR A 102 -40.312 -4.423 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 102 -39.654 -7.108 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 102 -42.049 -6.028 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 102 -41.835 -4.692 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 102 -41.150 -6.296 -1.391 1.00 0.00 H new ATOM 1542 N GLU A 103 -37.504 -3.428 0.600 1.00 0.00 N ATOM 1543 CA GLU A 103 -36.879 -2.287 1.250 1.00 0.00 C ATOM 1544 C GLU A 103 -35.946 -1.546 0.295 1.00 0.00 C ATOM 1545 O GLU A 103 -35.423 -0.481 0.624 1.00 0.00 O ATOM 1546 CB GLU A 103 -36.113 -2.731 2.497 1.00 0.00 C ATOM 1547 CG GLU A 103 -37.002 -2.943 3.711 1.00 0.00 C ATOM 1548 CD GLU A 103 -36.917 -1.799 4.704 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -37.310 -0.670 4.343 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -36.457 -2.034 5.841 1.00 0.00 O ATOM 0 H GLU A 103 -37.101 -4.332 0.847 1.00 0.00 H new ATOM 0 HA GLU A 103 -37.672 -1.602 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -35.584 -3.658 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -35.358 -1.982 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -38.035 -3.059 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -36.718 -3.871 4.207 1.00 0.00 H new ATOM 1557 N ARG A 104 -35.746 -2.114 -0.887 1.00 0.00 N ATOM 1558 CA ARG A 104 -34.882 -1.506 -1.893 1.00 0.00 C ATOM 1559 C ARG A 104 -35.702 -0.851 -3.003 1.00 0.00 C ATOM 1560 O ARG A 104 -35.181 -0.055 -3.784 1.00 0.00 O ATOM 1561 CB ARG A 104 -33.943 -2.556 -2.492 1.00 0.00 C ATOM 1562 CG ARG A 104 -32.571 -2.011 -2.853 1.00 0.00 C ATOM 1563 CD ARG A 104 -31.489 -3.063 -2.667 1.00 0.00 C ATOM 1564 NE ARG A 104 -31.228 -3.337 -1.257 1.00 0.00 N ATOM 1565 CZ ARG A 104 -30.536 -2.526 -0.461 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -30.036 -1.390 -0.930 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -30.344 -2.852 0.811 1.00 0.00 N ATOM 0 H ARG A 104 -36.170 -2.996 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 104 -34.291 -0.733 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -33.824 -3.373 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -34.404 -2.976 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -32.574 -1.670 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -32.348 -1.144 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -31.790 -3.984 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -30.570 -2.726 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 104 -31.598 -4.200 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -30.181 -1.134 -1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -29.507 -0.773 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -30.727 -3.724 1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -29.814 -2.231 1.422 1.00 0.00 H new ATOM 1581 N GLY A 105 -36.988 -1.187 -3.068 1.00 0.00 N ATOM 1582 CA GLY A 105 -37.851 -0.618 -4.086 1.00 0.00 C ATOM 1583 C GLY A 105 -37.858 -1.433 -5.364 1.00 0.00 C ATOM 1584 O GLY A 105 -37.730 -0.883 -6.458 1.00 0.00 O ATOM 0 H GLY A 105 -37.446 -1.842 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -38.867 -0.548 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -37.524 0.398 -4.309 1.00 0.00 H new ATOM 1588 N ILE A 106 -38.007 -2.746 -5.227 1.00 0.00 N ATOM 1589 CA ILE A 106 -38.031 -3.635 -6.383 1.00 0.00 C ATOM 1590 C ILE A 106 -39.185 -4.627 -6.288 1.00 0.00 C ATOM 1591 O ILE A 106 -39.041 -5.709 -5.719 1.00 0.00 O ATOM 1592 CB ILE A 106 -36.710 -4.416 -6.517 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -35.515 -3.471 -6.384 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -36.665 -5.156 -7.846 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -35.426 -2.449 -7.496 1.00 0.00 C ATOM 0 H ILE A 106 -38.113 -3.218 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 106 -38.165 -3.007 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 106 -36.656 -5.150 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -35.578 -2.951 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -34.597 -4.059 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -35.726 -5.703 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -37.499 -5.856 -7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -36.738 -4.439 -8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -34.555 -1.813 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -35.332 -2.961 -8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -36.327 -1.836 -7.500 1.00 0.00 H new ATOM 1607 N THR A 107 -40.332 -4.253 -6.849 1.00 0.00 N ATOM 1608 CA THR A 107 -41.511 -5.113 -6.826 1.00 0.00 C ATOM 1609 C THR A 107 -41.194 -6.489 -7.404 1.00 0.00 C ATOM 1610 O THR A 107 -40.797 -6.611 -8.564 1.00 0.00 O ATOM 1611 CB THR A 107 -42.652 -4.466 -7.614 1.00 0.00 C ATOM 1612 OG1 THR A 107 -42.379 -4.492 -9.003 1.00 0.00 O ATOM 1613 CG2 THR A 107 -42.909 -3.027 -7.223 1.00 0.00 C ATOM 0 H THR A 107 -40.470 -3.361 -7.324 1.00 0.00 H new ATOM 0 HA THR A 107 -41.819 -5.239 -5.788 1.00 0.00 H new ATOM 0 HB THR A 107 -43.538 -5.054 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 107 -41.763 -5.228 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 107 -43.730 -2.629 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 107 -43.172 -2.978 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 107 -42.011 -2.436 -7.401 1.00 0.00 H new ATOM 1621 N PHE A 108 -41.369 -7.524 -6.588 1.00 0.00 N ATOM 1622 CA PHE A 108 -41.099 -8.891 -7.020 1.00 0.00 C ATOM 1623 C PHE A 108 -42.371 -9.734 -6.984 1.00 0.00 C ATOM 1624 O PHE A 108 -42.548 -10.577 -6.105 1.00 0.00 O ATOM 1625 CB PHE A 108 -40.018 -9.527 -6.139 1.00 0.00 C ATOM 1626 CG PHE A 108 -40.400 -9.645 -4.690 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -40.458 -8.521 -3.882 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -40.699 -10.879 -4.137 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -40.807 -8.627 -2.550 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -41.049 -10.991 -2.804 1.00 0.00 C ATOM 1631 CZ PHE A 108 -41.103 -9.863 -2.010 1.00 0.00 C ATOM 0 H PHE A 108 -41.696 -7.442 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 108 -40.739 -8.856 -8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -39.787 -10.520 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -39.106 -8.935 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -40.228 -7.551 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -40.658 -11.764 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -40.848 -7.743 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -41.280 -11.959 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 108 -41.376 -9.947 -0.969 1.00 0.00 H new ATOM 1641 N LYS A 109 -43.253 -9.501 -7.951 1.00 0.00 N ATOM 1642 CA LYS A 109 -44.508 -10.240 -8.035 1.00 0.00 C ATOM 1643 C LYS A 109 -44.805 -10.639 -9.477 1.00 0.00 C ATOM 1644 O LYS A 109 -45.950 -10.586 -9.926 1.00 0.00 O ATOM 1645 CB LYS A 109 -45.656 -9.398 -7.471 1.00 0.00 C ATOM 1646 CG LYS A 109 -46.008 -9.738 -6.032 1.00 0.00 C ATOM 1647 CD LYS A 109 -47.318 -10.504 -5.944 1.00 0.00 C ATOM 1648 CE LYS A 109 -48.100 -10.130 -4.694 1.00 0.00 C ATOM 1649 NZ LYS A 109 -47.648 -10.903 -3.505 1.00 0.00 N ATOM 0 H LYS A 109 -43.122 -8.807 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 109 -44.412 -11.149 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -45.386 -8.344 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -46.539 -9.537 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -45.208 -10.332 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -46.082 -8.821 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -47.922 -10.297 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -47.115 -11.575 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -47.985 -9.064 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -49.162 -10.310 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -48.205 -10.619 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -47.781 -11.919 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -46.641 -10.711 -3.329 1.00 0.00 H new ATOM 1663 N GLN A 110 -43.764 -11.042 -10.200 1.00 0.00 N ATOM 1664 CA GLN A 110 -43.913 -11.451 -11.592 1.00 0.00 C ATOM 1665 C GLN A 110 -43.434 -12.884 -11.795 1.00 0.00 C ATOM 1666 O GLN A 110 -44.114 -13.693 -12.426 1.00 0.00 O ATOM 1667 CB GLN A 110 -43.136 -10.505 -12.512 1.00 0.00 C ATOM 1668 CG GLN A 110 -41.653 -10.421 -12.188 1.00 0.00 C ATOM 1669 CD GLN A 110 -41.050 -9.081 -12.566 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -41.631 -8.323 -13.342 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -39.879 -8.782 -12.016 1.00 0.00 N ATOM 0 H GLN A 110 -42.809 -11.094 -9.845 1.00 0.00 H new ATOM 0 HA GLN A 110 -44.972 -11.403 -11.845 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -43.256 -10.836 -13.544 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -43.571 -9.508 -12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -41.507 -10.593 -11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -41.124 -11.215 -12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -39.432 -9.440 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -39.426 -7.894 -12.232 1.00 0.00 H new ATOM 1680 N SER A 111 -42.258 -13.194 -11.256 1.00 0.00 N ATOM 1681 CA SER A 111 -41.693 -14.532 -11.381 1.00 0.00 C ATOM 1682 C SER A 111 -40.500 -14.713 -10.445 1.00 0.00 C ATOM 1683 O SER A 111 -39.547 -15.421 -10.770 1.00 0.00 O ATOM 1684 CB SER A 111 -41.266 -14.796 -12.825 1.00 0.00 C ATOM 1685 OG SER A 111 -41.504 -16.144 -13.190 1.00 0.00 O ATOM 0 H SER A 111 -41.680 -12.538 -10.730 1.00 0.00 H new ATOM 0 HA SER A 111 -42.464 -15.250 -11.099 1.00 0.00 H new ATOM 0 HB2 SER A 111 -41.812 -14.133 -13.496 1.00 0.00 H new ATOM 0 HB3 SER A 111 -40.207 -14.566 -12.942 1.00 0.00 H new ATOM 0 HG SER A 111 -41.224 -16.286 -14.118 1.00 0.00 H new ATOM 1691 N ALA A 112 -40.562 -14.072 -9.284 1.00 0.00 N ATOM 1692 CA ALA A 112 -39.487 -14.168 -8.302 1.00 0.00 C ATOM 1693 C ALA A 112 -39.978 -14.824 -7.018 1.00 0.00 C ATOM 1694 O ALA A 112 -40.450 -14.147 -6.105 1.00 0.00 O ATOM 1695 CB ALA A 112 -38.914 -12.790 -8.008 1.00 0.00 C ATOM 0 H ALA A 112 -41.343 -13.481 -8.999 1.00 0.00 H new ATOM 0 HA ALA A 112 -38.699 -14.793 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -38.113 -12.878 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -38.518 -12.357 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -39.700 -12.146 -7.613 1.00 0.00 H new ATOM 1701 N THR A 113 -39.866 -16.146 -6.955 1.00 0.00 N ATOM 1702 CA THR A 113 -40.302 -16.892 -5.781 1.00 0.00 C ATOM 1703 C THR A 113 -39.306 -16.742 -4.636 1.00 0.00 C ATOM 1704 O THR A 113 -39.549 -15.996 -3.687 1.00 0.00 O ATOM 1705 CB THR A 113 -40.493 -18.371 -6.124 1.00 0.00 C ATOM 1706 OG1 THR A 113 -40.333 -18.593 -7.515 1.00 0.00 O ATOM 1707 CG2 THR A 113 -41.854 -18.898 -5.730 1.00 0.00 C ATOM 0 H THR A 113 -39.478 -16.722 -7.702 1.00 0.00 H new ATOM 0 HA THR A 113 -41.258 -16.480 -5.459 1.00 0.00 H new ATOM 0 HB THR A 113 -39.731 -18.902 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 113 -39.378 -18.646 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 113 -41.928 -19.952 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 113 -41.989 -18.788 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 113 -42.627 -18.335 -6.252 1.00 0.00 H new ATOM 1715 N LYS A 114 -38.186 -17.453 -4.724 1.00 0.00 N ATOM 1716 CA LYS A 114 -37.165 -17.388 -3.685 1.00 0.00 C ATOM 1717 C LYS A 114 -35.768 -17.559 -4.257 1.00 0.00 C ATOM 1718 O LYS A 114 -34.833 -16.877 -3.840 1.00 0.00 O ATOM 1719 CB LYS A 114 -37.428 -18.446 -2.611 1.00 0.00 C ATOM 1720 CG LYS A 114 -37.777 -19.813 -3.178 1.00 0.00 C ATOM 1721 CD LYS A 114 -39.160 -20.267 -2.735 1.00 0.00 C ATOM 1722 CE LYS A 114 -39.432 -21.708 -3.136 1.00 0.00 C ATOM 1723 NZ LYS A 114 -40.478 -21.802 -4.192 1.00 0.00 N ATOM 0 H LYS A 114 -37.963 -18.077 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 114 -37.220 -16.398 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -36.544 -18.538 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -38.243 -18.108 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -37.737 -19.777 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -37.034 -20.542 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -39.247 -20.167 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -39.916 -19.617 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -38.510 -22.165 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -39.748 -22.275 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -40.634 -22.800 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -41.365 -21.389 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -40.166 -21.282 -5.037 1.00 0.00 H new ATOM 1737 N ALA A 115 -35.621 -18.460 -5.213 1.00 0.00 N ATOM 1738 CA ALA A 115 -34.328 -18.690 -5.831 1.00 0.00 C ATOM 1739 C ALA A 115 -34.010 -17.591 -6.837 1.00 0.00 C ATOM 1740 O ALA A 115 -32.849 -17.354 -7.169 1.00 0.00 O ATOM 1741 CB ALA A 115 -34.293 -20.055 -6.502 1.00 0.00 C ATOM 0 H ALA A 115 -36.377 -19.041 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 115 -33.567 -18.670 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -33.316 -20.210 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -34.472 -20.831 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -35.065 -20.103 -7.270 1.00 0.00 H new ATOM 1747 N GLU A 116 -35.053 -16.923 -7.318 1.00 0.00 N ATOM 1748 CA GLU A 116 -34.890 -15.849 -8.288 1.00 0.00 C ATOM 1749 C GLU A 116 -34.606 -14.512 -7.612 1.00 0.00 C ATOM 1750 O GLU A 116 -33.817 -13.716 -8.121 1.00 0.00 O ATOM 1751 CB GLU A 116 -36.135 -15.738 -9.168 1.00 0.00 C ATOM 1752 CG GLU A 116 -36.338 -16.929 -10.090 1.00 0.00 C ATOM 1753 CD GLU A 116 -35.665 -16.747 -11.436 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -34.677 -15.986 -11.508 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -36.125 -17.367 -12.418 1.00 0.00 O ATOM 0 H GLU A 116 -36.020 -17.107 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 116 -34.029 -16.096 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -37.012 -15.630 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -36.065 -14.832 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -35.946 -17.826 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -37.406 -17.089 -10.241 1.00 0.00 H new ATOM 1762 N LEU A 117 -35.250 -14.253 -6.474 1.00 0.00 N ATOM 1763 CA LEU A 117 -35.034 -12.986 -5.777 1.00 0.00 C ATOM 1764 C LEU A 117 -33.779 -13.034 -4.920 1.00 0.00 C ATOM 1765 O LEU A 117 -33.209 -11.994 -4.588 1.00 0.00 O ATOM 1766 CB LEU A 117 -36.283 -12.536 -4.984 1.00 0.00 C ATOM 1767 CG LEU A 117 -36.543 -13.102 -3.583 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -38.049 -13.199 -3.369 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -35.882 -14.448 -3.365 1.00 0.00 C ATOM 0 H LEU A 117 -35.910 -14.887 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 117 -34.870 -12.219 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -36.236 -11.451 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -37.156 -12.767 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 117 -36.099 -12.426 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -38.250 -13.600 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -38.494 -12.208 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -38.482 -13.858 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -36.099 -14.801 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -36.267 -15.164 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -34.804 -14.348 -3.490 1.00 0.00 H new ATOM 1781 N ILE A 118 -33.322 -14.238 -4.597 1.00 0.00 N ATOM 1782 CA ILE A 118 -32.103 -14.385 -3.823 1.00 0.00 C ATOM 1783 C ILE A 118 -30.878 -14.341 -4.736 1.00 0.00 C ATOM 1784 O ILE A 118 -29.782 -13.985 -4.304 1.00 0.00 O ATOM 1785 CB ILE A 118 -32.092 -15.686 -2.984 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -30.928 -15.654 -1.984 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -32.020 -16.930 -3.867 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -29.616 -16.176 -2.535 1.00 0.00 C ATOM 0 H ILE A 118 -33.773 -15.115 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 118 -32.066 -13.546 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 118 -33.031 -15.741 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -30.784 -14.628 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -31.201 -16.243 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -32.014 -17.821 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -32.886 -16.957 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -31.108 -16.900 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -28.848 -16.118 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -29.739 -17.213 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -29.316 -15.573 -3.392 1.00 0.00 H new ATOM 1800 N ALA A 119 -31.075 -14.702 -6.007 1.00 0.00 N ATOM 1801 CA ALA A 119 -29.993 -14.699 -6.984 1.00 0.00 C ATOM 1802 C ALA A 119 -29.834 -13.328 -7.634 1.00 0.00 C ATOM 1803 O ALA A 119 -28.722 -12.905 -7.954 1.00 0.00 O ATOM 1804 CB ALA A 119 -30.236 -15.764 -8.043 1.00 0.00 C ATOM 0 H ALA A 119 -31.977 -15.000 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 119 -29.066 -14.928 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -29.421 -15.751 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -30.285 -16.744 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -31.177 -15.561 -8.554 1.00 0.00 H new ATOM 1810 N LEU A 120 -30.956 -12.647 -7.839 1.00 0.00 N ATOM 1811 CA LEU A 120 -30.953 -11.330 -8.467 1.00 0.00 C ATOM 1812 C LEU A 120 -30.171 -10.322 -7.632 1.00 0.00 C ATOM 1813 O LEU A 120 -29.540 -9.413 -8.171 1.00 0.00 O ATOM 1814 CB LEU A 120 -32.388 -10.838 -8.672 1.00 0.00 C ATOM 1815 CG LEU A 120 -32.676 -10.234 -10.048 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -34.130 -10.455 -10.433 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -32.338 -8.750 -10.059 1.00 0.00 C ATOM 0 H LEU A 120 -31.882 -12.986 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 120 -30.463 -11.422 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -33.069 -11.673 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -32.612 -10.091 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 120 -32.047 -10.735 -10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -34.317 -10.019 -11.414 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -34.339 -11.524 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -34.778 -9.980 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -32.549 -8.336 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -32.941 -8.234 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -31.281 -8.616 -9.827 1.00 0.00 H new ATOM 1829 N PHE A 121 -30.223 -10.483 -6.315 1.00 0.00 N ATOM 1830 CA PHE A 121 -29.524 -9.582 -5.409 1.00 0.00 C ATOM 1831 C PHE A 121 -28.021 -9.597 -5.665 1.00 0.00 C ATOM 1832 O PHE A 121 -27.274 -10.313 -4.999 1.00 0.00 O ATOM 1833 CB PHE A 121 -29.808 -9.967 -3.959 1.00 0.00 C ATOM 1834 CG PHE A 121 -30.755 -9.029 -3.275 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -30.375 -7.729 -2.987 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -32.023 -9.448 -2.922 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -31.247 -6.864 -2.358 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -32.899 -8.591 -2.292 1.00 0.00 C ATOM 1839 CZ PHE A 121 -32.510 -7.295 -2.009 1.00 0.00 C ATOM 0 H PHE A 121 -30.742 -11.229 -5.852 1.00 0.00 H new ATOM 0 HA PHE A 121 -29.891 -8.572 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -30.222 -10.975 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -28.869 -9.993 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -29.386 -7.389 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -32.331 -10.459 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -30.941 -5.852 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -33.887 -8.931 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 121 -33.194 -6.621 -1.515 1.00 0.00 H new ATOM 1849 N ALA A 122 -27.586 -8.798 -6.631 1.00 0.00 N ATOM 1850 CA ALA A 122 -26.171 -8.714 -6.972 1.00 0.00 C ATOM 1851 C ALA A 122 -25.395 -7.964 -5.891 1.00 0.00 C ATOM 1852 O ALA A 122 -25.756 -6.845 -5.525 1.00 0.00 O ATOM 1853 CB ALA A 122 -25.993 -8.033 -8.321 1.00 0.00 C ATOM 0 H ALA A 122 -28.192 -8.199 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 122 -25.774 -9.727 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -24.932 -7.977 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -26.511 -8.607 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -26.409 -7.026 -8.278 1.00 0.00 H new ATOM 1859 N PRO A 123 -24.316 -8.568 -5.360 1.00 0.00 N ATOM 1860 CA PRO A 123 -23.499 -7.942 -4.313 1.00 0.00 C ATOM 1861 C PRO A 123 -22.775 -6.696 -4.810 1.00 0.00 C ATOM 1862 O PRO A 123 -22.455 -6.581 -5.993 1.00 0.00 O ATOM 1863 CB PRO A 123 -22.490 -9.032 -3.940 1.00 0.00 C ATOM 1864 CG PRO A 123 -22.433 -9.926 -5.130 1.00 0.00 C ATOM 1865 CD PRO A 123 -23.809 -9.902 -5.731 1.00 0.00 C ATOM 0 HA PRO A 123 -24.108 -7.604 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -21.511 -8.606 -3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -22.808 -9.577 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -21.688 -9.577 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -22.150 -10.939 -4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -23.778 -10.035 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -24.437 -10.697 -5.330 1.00 0.00 H new ATOM 1873 N ALA A 124 -22.518 -5.765 -3.897 1.00 0.00 N ATOM 1874 CA ALA A 124 -21.830 -4.527 -4.240 1.00 0.00 C ATOM 1875 C ALA A 124 -20.355 -4.597 -3.864 1.00 0.00 C ATOM 1876 O ALA A 124 -19.999 -5.076 -2.787 1.00 0.00 O ATOM 1877 CB ALA A 124 -22.495 -3.345 -3.549 1.00 0.00 C ATOM 0 H ALA A 124 -22.776 -5.845 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 124 -21.898 -4.390 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -21.971 -2.427 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -23.535 -3.275 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -22.456 -3.486 -2.469 1.00 0.00 H new ATOM 1883 N ASP A 125 -19.498 -4.116 -4.759 1.00 0.00 N ATOM 1884 CA ASP A 125 -18.059 -4.123 -4.522 1.00 0.00 C ATOM 1885 C ASP A 125 -17.317 -3.444 -5.668 1.00 0.00 C ATOM 1886 O ASP A 125 -16.359 -2.702 -5.447 1.00 0.00 O ATOM 1887 CB ASP A 125 -17.556 -5.558 -4.353 1.00 0.00 C ATOM 1888 CG ASP A 125 -18.061 -6.480 -5.446 1.00 0.00 C ATOM 1889 OD1 ASP A 125 -19.258 -6.833 -5.420 1.00 0.00 O ATOM 1890 OD2 ASP A 125 -17.257 -6.849 -6.329 1.00 0.00 O ATOM 0 H ASP A 125 -19.775 -3.716 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 125 -17.864 -3.567 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -16.466 -5.561 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -17.875 -5.940 -3.383 1.00 0.00 H new ATOM 1895 N GLY A 126 -17.766 -3.702 -6.892 1.00 0.00 N ATOM 1896 CA GLY A 126 -17.134 -3.108 -8.054 1.00 0.00 C ATOM 1897 C GLY A 126 -18.008 -2.061 -8.718 1.00 0.00 C ATOM 1898 O GLY A 126 -18.236 -0.990 -8.156 1.00 0.00 O ATOM 0 H GLY A 126 -18.557 -4.312 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -16.189 -2.653 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -16.898 -3.890 -8.775 1.00 0.00 H new ATOM 1902 N GLU A 127 -18.496 -2.374 -9.917 1.00 0.00 N ATOM 1903 CA GLU A 127 -19.354 -1.458 -10.670 1.00 0.00 C ATOM 1904 C GLU A 127 -18.820 -0.028 -10.622 1.00 0.00 C ATOM 1905 O GLU A 127 -19.494 0.883 -10.137 1.00 0.00 O ATOM 1906 CB GLU A 127 -20.786 -1.504 -10.130 1.00 0.00 C ATOM 1907 CG GLU A 127 -20.889 -1.211 -8.642 1.00 0.00 C ATOM 1908 CD GLU A 127 -22.324 -1.064 -8.176 1.00 0.00 C ATOM 1909 OE1 GLU A 127 -23.047 -0.213 -8.736 1.00 0.00 O ATOM 1910 OE2 GLU A 127 -22.726 -1.799 -7.250 1.00 0.00 O ATOM 0 H GLU A 127 -18.311 -3.258 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 127 -19.355 -1.783 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -21.394 -0.783 -10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -21.207 -2.490 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -20.410 -2.015 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -20.342 -0.296 -8.417 1.00 0.00 H new ATOM 1917 N LYS A 128 -17.606 0.162 -11.126 1.00 0.00 N ATOM 1918 CA LYS A 128 -16.982 1.480 -11.139 1.00 0.00 C ATOM 1919 C LYS A 128 -17.178 2.161 -12.491 1.00 0.00 C ATOM 1920 O LYS A 128 -16.340 2.041 -13.384 1.00 0.00 O ATOM 1921 CB LYS A 128 -15.489 1.364 -10.820 1.00 0.00 C ATOM 1922 CG LYS A 128 -15.050 2.226 -9.649 1.00 0.00 C ATOM 1923 CD LYS A 128 -13.537 2.371 -9.602 1.00 0.00 C ATOM 1924 CE LYS A 128 -13.111 3.447 -8.616 1.00 0.00 C ATOM 1925 NZ LYS A 128 -11.757 3.184 -8.057 1.00 0.00 N ATOM 0 H LYS A 128 -17.034 -0.579 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 128 -17.461 2.091 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -15.252 0.322 -10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.914 1.644 -11.703 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -15.509 3.211 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -15.404 1.784 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -13.088 1.419 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -13.163 2.618 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -13.116 4.417 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -13.835 3.501 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -11.504 3.940 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -11.758 2.270 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -11.062 3.158 -8.830 1.00 0.00 H new ATOM 1939 N SER A 129 -18.290 2.876 -12.631 1.00 0.00 N ATOM 1940 CA SER A 129 -18.596 3.576 -13.874 1.00 0.00 C ATOM 1941 C SER A 129 -19.292 4.904 -13.591 1.00 0.00 C ATOM 1942 O SER A 129 -20.487 4.939 -13.296 1.00 0.00 O ATOM 1943 CB SER A 129 -19.477 2.706 -14.771 1.00 0.00 C ATOM 1944 OG SER A 129 -19.198 2.939 -16.141 1.00 0.00 O ATOM 0 H SER A 129 -18.993 2.986 -11.900 1.00 0.00 H new ATOM 0 HA SER A 129 -17.657 3.780 -14.389 1.00 0.00 H new ATOM 0 HB2 SER A 129 -19.313 1.654 -14.537 1.00 0.00 H new ATOM 0 HB3 SER A 129 -20.527 2.917 -14.570 1.00 0.00 H new ATOM 0 HG SER A 129 -19.773 2.369 -16.693 1.00 0.00 H new ATOM 1950 N GLU A 130 -18.538 5.994 -13.685 1.00 0.00 N ATOM 1951 CA GLU A 130 -19.083 7.324 -13.440 1.00 0.00 C ATOM 1952 C GLU A 130 -18.880 8.229 -14.652 1.00 0.00 C ATOM 1953 O GLU A 130 -17.749 8.508 -15.047 1.00 0.00 O ATOM 1954 CB GLU A 130 -18.426 7.948 -12.207 1.00 0.00 C ATOM 1955 CG GLU A 130 -19.281 9.007 -11.531 1.00 0.00 C ATOM 1956 CD GLU A 130 -18.836 9.294 -10.110 1.00 0.00 C ATOM 1957 OE1 GLU A 130 -17.674 9.716 -9.927 1.00 0.00 O ATOM 1958 OE2 GLU A 130 -19.648 9.099 -9.182 1.00 0.00 O ATOM 0 H GLU A 130 -17.548 5.982 -13.929 1.00 0.00 H new ATOM 0 HA GLU A 130 -20.153 7.223 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -18.202 7.160 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -17.475 8.393 -12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -19.241 9.927 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -20.321 8.679 -11.523 1.00 0.00 H new ATOM 1965 N ALA A 131 -19.984 8.684 -15.236 1.00 0.00 N ATOM 1966 CA ALA A 131 -19.926 9.557 -16.401 1.00 0.00 C ATOM 1967 C ALA A 131 -19.523 10.974 -16.009 1.00 0.00 C ATOM 1968 O ALA A 131 -20.351 11.673 -15.389 1.00 0.00 O ATOM 1969 CB ALA A 131 -21.268 9.569 -17.118 1.00 0.00 C ATOM 1970 OXT ALA A 131 -18.381 11.372 -16.321 1.00 0.00 O ATOM 0 H ALA A 131 -20.929 8.462 -14.921 1.00 0.00 H new ATOM 0 HA ALA A 131 -19.166 9.166 -17.078 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -21.211 10.225 -17.986 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -21.516 8.558 -17.442 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -22.040 9.932 -16.439 1.00 0.00 H new TER 1976 ALA A 131